NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
275455 | 2kjc | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H ASN 9 H ASN 9 -20.891 5.884 20.261 2 HA ASN 9 HA ASN 9 -21.365 7.017 18.227 3 HB2 ASN 9 HB2 ASN 9 -23.153 9.029 18.895 4 HB3 ASN 9 HB3 ASN 9 -23.531 7.597 17.940 5 HD21 ASN 9 HD21 ASN 9 -25.585 7.005 18.733 6 HD22 ASN 9 HD22 ASN 9 -25.921 6.715 20.371 7 H THR 10 H THR 10 -21.162 7.945 21.553 8 HA THR 10 HA THR 10 -20.316 10.589 21.410 9 HB THR 10 HB THR 10 -19.733 10.339 23.603 10 HG1 THR 10 HG1 THR 10 -18.713 8.184 24.200 11 HG21 THR 10 HG21 THR 10 -21.874 8.995 23.119 12 HG22 THR 10 HG22 THR 10 -21.056 8.662 24.645 13 HG23 THR 10 HG23 THR 10 -20.867 7.557 23.284 14 H ASP 11 H ASP 11 -18.595 7.633 20.658 15 HA ASP 11 HA ASP 11 -15.966 8.666 20.637 16 HB2 ASP 11 HB2 ASP 11 -17.107 6.443 18.926 17 HB3 ASP 11 HB3 ASP 11 -15.405 6.709 19.301 18 H THR 12 H THR 12 -18.444 8.433 18.106 19 HA THR 12 HA THR 12 -16.861 9.410 15.981 20 HB THR 12 HB THR 12 -19.240 10.129 15.118 21 HG1 THR 12 HG1 THR 12 -20.281 8.218 16.741 22 HG21 THR 12 HG21 THR 12 -19.618 7.765 14.460 23 HG22 THR 12 HG22 THR 12 -17.877 8.181 14.366 24 HG23 THR 12 HG23 THR 12 -18.629 7.209 15.672 25 H LEU 13 H LEU 13 -19.184 11.086 18.107 26 HA LEU 13 HA LEU 13 -18.947 13.651 17.081 27 HB2 LEU 13 HB2 LEU 13 -20.430 12.692 19.019 28 HB3 LEU 13 HB3 LEU 13 -19.103 13.231 20.048 29 HG LEU 13 HG LEU 13 -19.443 15.473 19.545 30 HD11 LEU 13 HD11 LEU 13 -20.904 16.014 17.400 31 HD12 LEU 13 HD12 LEU 13 -19.176 15.568 17.226 32 HD13 LEU 13 HD13 LEU 13 -20.555 14.461 16.930 33 HD21 LEU 13 HD21 LEU 13 -21.858 15.918 19.615 34 HD22 LEU 13 HD22 LEU 13 -21.462 14.559 20.667 35 HD23 LEU 13 HD23 LEU 13 -22.191 14.268 19.087 36 H GLU 14 H GLU 14 -16.799 11.902 19.249 37 HA GLU 14 HA GLU 14 -15.171 14.154 19.931 38 HB2 GLU 14 HB2 GLU 14 -15.133 11.240 20.383 39 HB3 GLU 14 HB3 GLU 14 -13.542 11.996 20.306 40 HG2 GLU 14 HG2 GLU 14 -15.004 13.777 21.844 41 HG3 GLU 14 HG3 GLU 14 -15.611 12.209 22.372 42 H ARG 15 H ARG 15 -15.004 11.610 17.477 43 HA ARG 15 HA ARG 15 -12.432 12.316 16.481 44 HB2 ARG 15 HB2 ARG 15 -14.152 10.227 16.070 45 HB3 ARG 15 HB3 ARG 15 -14.324 11.127 14.563 46 HG2 ARG 15 HG2 ARG 15 -11.777 11.196 14.463 47 HG3 ARG 15 HG3 ARG 15 -11.782 10.023 15.780 48 HD2 ARG 15 HD2 ARG 15 -13.140 9.654 13.093 49 HD3 ARG 15 HD3 ARG 15 -11.620 8.907 13.577 50 HE ARG 15 HE ARG 15 -13.925 8.379 15.293 51 HH11 ARG 15 HH21 ARG 15 -11.827 7.391 12.725 52 HH12 ARG 15 HH22 ARG 15 -12.228 5.711 12.858 53 HH21 ARG 15 HH11 ARG 15 -14.455 6.178 15.475 54 HH22 ARG 15 HH12 ARG 15 -13.716 5.024 14.415 55 H VAL 16 H VAL 16 -15.731 13.034 15.336 56 HA VAL 16 HA VAL 16 -15.188 14.494 13.075 57 HB VAL 16 HB VAL 16 -17.245 15.454 15.053 58 HG11 VAL 16 HG11 VAL 16 -17.572 15.039 12.087 59 HG12 VAL 16 HG12 VAL 16 -18.435 16.164 13.183 60 HG13 VAL 16 HG13 VAL 16 -16.752 16.385 12.607 61 HG21 VAL 16 HG21 VAL 16 -18.727 13.648 14.129 62 HG22 VAL 16 HG22 VAL 16 -17.407 13.031 15.122 63 HG23 VAL 16 HG23 VAL 16 -17.307 12.936 13.364 64 H THR 17 H THR 17 -14.292 15.247 16.278 65 HA THR 17 HA THR 17 -13.994 18.109 15.757 66 HB THR 17 HB THR 17 -13.344 16.442 18.202 67 HG1 THR 17 HG1 THR 17 -15.449 16.591 18.280 68 HG21 THR 17 HG21 THR 17 -13.664 19.192 18.805 69 HG22 THR 17 HG22 THR 17 -12.568 19.107 17.426 70 HG23 THR 17 HG23 THR 17 -12.185 18.237 18.912 71 H GLU 18 H GLU 18 -12.034 15.208 16.185 72 HA GLU 18 HA GLU 18 -9.508 16.506 16.241 73 HB2 GLU 18 HB2 GLU 18 -10.518 13.755 16.033 74 HB3 GLU 18 HB3 GLU 18 -8.995 14.022 15.183 75 HG2 GLU 18 HG2 GLU 18 -8.084 15.085 17.259 76 HG3 GLU 18 HG3 GLU 18 -9.577 14.652 18.091 77 H ILE 19 H ILE 19 -11.669 15.568 13.674 78 HA ILE 19 HA ILE 19 -9.920 15.469 11.500 79 HB ILE 19 HB ILE 19 -12.715 16.629 11.463 80 HG12 ILE 19 HG12 ILE 19 -11.702 13.802 11.675 81 HG13 ILE 19 HG13 ILE 19 -13.030 14.570 12.545 82 HG21 ILE 19 HG21 ILE 19 -11.862 16.923 9.318 83 HG22 ILE 19 HG22 ILE 19 -12.532 15.297 9.186 84 HG23 ILE 19 HG23 ILE 19 -10.801 15.519 9.437 85 HD11 ILE 19 HD11 ILE 19 -13.095 13.126 10.039 86 HD12 ILE 19 HD12 ILE 19 -13.689 14.771 9.809 87 HD13 ILE 19 HD13 ILE 19 -14.442 13.721 11.010 88 H PHE 20 H PHE 20 -11.955 18.269 12.391 89 HA PHE 20 HA PHE 20 -10.790 20.148 10.732 90 HB2 PHE 20 HB2 PHE 20 -11.841 20.619 13.534 91 HB3 PHE 20 HB3 PHE 20 -11.647 21.843 12.278 92 HD1 PHE 20 HD1 PHE 20 -13.001 21.682 10.165 93 HD2 PHE 20 HD2 PHE 20 -13.720 19.142 13.553 94 HE1 PHE 20 HE1 PHE 20 -15.236 21.106 9.259 95 HE2 PHE 20 HE2 PHE 20 -15.955 18.565 12.647 96 HZ PHE 20 HZ PHE 20 -16.713 19.547 10.499 97 H LYS 21 H LYS 21 -10.049 19.842 14.215 98 HA LYS 21 HA LYS 21 -7.947 21.500 14.504 99 HB2 LYS 21 HB2 LYS 21 -8.872 19.165 15.847 100 HB3 LYS 21 HB3 LYS 21 -7.118 19.043 15.706 101 HG2 LYS 21 HG2 LYS 21 -6.830 21.230 16.722 102 HG3 LYS 21 HG3 LYS 21 -8.573 21.501 16.725 103 HD2 LYS 21 HD2 LYS 21 -8.884 19.620 18.271 104 HD3 LYS 21 HD3 LYS 21 -7.153 19.287 18.237 105 HE2 LYS 21 HE2 LYS 21 -6.679 21.476 19.220 106 HE3 LYS 21 HE3 LYS 21 -8.392 21.892 19.175 107 HZ1 LYS 21 HZ1 LYS 21 -8.750 20.784 21.046 108 HZ2 LYS 21 HZ2 LYS 21 -7.066 20.640 21.222 109 HZ3 LYS 21 HZ3 LYS 21 -7.952 19.398 20.475 110 H ALA 22 H ALA 22 -7.734 18.230 13.120 111 HA ALA 22 HA ALA 22 -4.976 18.144 12.685 112 HB1 ALA 22 HB1 ALA 22 -6.525 16.215 12.407 113 HB2 ALA 22 HB2 ALA 22 -5.450 16.428 11.025 114 HB3 ALA 22 HB3 ALA 22 -7.132 16.951 10.924 115 H LEU 23 H LEU 23 -7.093 20.382 11.495 116 HA LEU 23 HA LEU 23 -5.530 20.799 9.021 117 HB2 LEU 23 HB2 LEU 23 -8.311 21.710 9.790 118 HB3 LEU 23 HB3 LEU 23 -7.468 22.244 8.336 119 HG LEU 23 HG LEU 23 -7.765 19.307 8.935 120 HD11 LEU 23 HD11 LEU 23 -9.941 21.062 8.603 121 HD12 LEU 23 HD12 LEU 23 -9.970 19.304 8.468 122 HD13 LEU 23 HD13 LEU 23 -9.715 20.294 7.031 123 HD21 LEU 23 HD21 LEU 23 -7.032 21.057 6.638 124 HD22 LEU 23 HD22 LEU 23 -7.926 19.584 6.264 125 HD23 LEU 23 HD23 LEU 23 -6.380 19.487 7.106 126 H GLY 24 H GLY 24 -5.911 21.892 12.162 127 HA2 GLY 24 HA2 GLY 24 -5.925 24.558 12.333 128 HA3 GLY 24 HA3 GLY 24 -4.717 23.614 13.199 129 H ASP 25 H ASP 25 -2.624 23.925 12.704 130 HA ASP 25 HA ASP 25 -1.343 25.870 11.614 131 HB2 ASP 25 HB2 ASP 25 -0.720 23.097 10.573 132 HB3 ASP 25 HB3 ASP 25 0.403 24.447 10.729 133 H TYR 26 H TYR 26 -1.497 27.173 9.914 134 HA TYR 26 HA TYR 26 -3.144 26.508 7.659 135 HB2 TYR 26 HB2 TYR 26 -2.114 28.758 6.819 136 HB3 TYR 26 HB3 TYR 26 -3.222 28.779 8.190 137 HD1 TYR 26 HD1 TYR 26 -2.375 29.036 10.496 138 HD2 TYR 26 HD2 TYR 26 0.254 29.190 7.102 139 HE1 TYR 26 HE1 TYR 26 -0.600 30.027 11.916 140 HE2 TYR 26 HE2 TYR 26 2.029 30.181 8.523 141 HH TYR 26 HH TYR 26 1.626 31.654 11.207 142 H ASN 27 H ASN 27 0.313 26.656 8.300 143 HA ASN 27 HA ASN 27 1.474 26.676 5.845 144 HB2 ASN 27 HB2 ASN 27 2.639 26.365 8.057 145 HB3 ASN 27 HB3 ASN 27 2.208 24.658 7.974 146 HD21 ASN 27 HD21 ASN 27 4.952 25.599 7.943 147 HD22 ASN 27 HD22 ASN 27 5.611 25.200 6.430 148 H ARG 28 H ARG 28 -0.232 23.954 7.325 149 HA ARG 28 HA ARG 28 0.351 22.127 5.186 150 HB2 ARG 28 HB2 ARG 28 -0.506 21.798 7.738 151 HB3 ARG 28 HB3 ARG 28 -2.034 21.644 6.871 152 HG2 ARG 28 HG2 ARG 28 -1.003 19.942 5.389 153 HG3 ARG 28 HG3 ARG 28 0.499 20.073 6.304 154 HD2 ARG 28 HD2 ARG 28 -2.034 19.527 7.801 155 HD3 ARG 28 HD3 ARG 28 -1.300 18.208 6.893 156 HE ARG 28 HE ARG 28 0.811 19.098 8.272 157 HH11 ARG 28 HH21 ARG 28 -2.472 18.524 9.202 158 HH12 ARG 28 HH22 ARG 28 -2.082 18.117 10.840 159 HH21 ARG 28 HH11 ARG 28 1.330 18.566 10.418 160 HH22 ARG 28 HH12 ARG 28 0.070 18.141 11.529 161 H ILE 29 H ILE 29 -2.293 24.312 5.996 162 HA ILE 29 HA ILE 29 -4.279 23.456 4.278 163 HB ILE 29 HB ILE 29 -3.466 26.287 4.978 164 HG12 ILE 29 HG12 ILE 29 -4.227 24.479 6.737 165 HG13 ILE 29 HG13 ILE 29 -4.915 26.101 6.798 166 HG21 ILE 29 HG21 ILE 29 -5.249 27.075 3.810 167 HG22 ILE 29 HG22 ILE 29 -6.266 25.707 4.265 168 HG23 ILE 29 HG23 ILE 29 -5.135 25.557 2.920 169 HD11 ILE 29 HD11 ILE 29 -6.307 23.652 6.492 170 HD12 ILE 29 HD12 ILE 29 -6.423 24.490 4.945 171 HD13 ILE 29 HD13 ILE 29 -6.977 25.282 6.420 172 H ARG 30 H ARG 30 -1.484 25.521 3.546 173 HA ARG 30 HA ARG 30 -2.155 26.054 0.852 174 HB2 ARG 30 HB2 ARG 30 -0.246 26.981 2.508 175 HB3 ARG 30 HB3 ARG 30 0.715 25.828 1.583 176 HG2 ARG 30 HG2 ARG 30 0.425 26.973 -0.409 177 HG3 ARG 30 HG3 ARG 30 -1.126 27.652 0.087 178 HD2 ARG 30 HD2 ARG 30 0.769 29.324 -0.006 179 HD3 ARG 30 HD3 ARG 30 -0.053 29.233 1.550 180 HE ARG 30 HE ARG 30 2.084 27.447 1.667 181 HH11 ARG 30 HH21 ARG 30 1.519 30.832 1.226 182 HH12 ARG 30 HH22 ARG 30 3.014 31.317 1.953 183 HH21 ARG 30 HH11 ARG 30 4.048 28.076 2.621 184 HH22 ARG 30 HH12 ARG 30 4.446 29.757 2.743 185 H ILE 31 H ILE 31 -0.048 23.577 2.307 186 HA ILE 31 HA ILE 31 0.838 22.338 -0.019 187 HB ILE 31 HB ILE 31 0.154 21.037 2.631 188 HG12 ILE 31 HG12 ILE 31 2.773 22.166 1.594 189 HG13 ILE 31 HG13 ILE 31 1.734 22.963 2.776 190 HG21 ILE 31 HG21 ILE 31 1.630 20.142 0.171 191 HG22 ILE 31 HG22 ILE 31 0.489 19.243 1.171 192 HG23 ILE 31 HG23 ILE 31 2.128 19.539 1.752 193 HD11 ILE 31 HD11 ILE 31 1.932 20.615 4.012 194 HD12 ILE 31 HD12 ILE 31 3.177 21.850 4.206 195 HD13 ILE 31 HD13 ILE 31 3.427 20.514 3.081 196 H MET 32 H MET 32 -2.217 21.992 1.702 197 HA MET 32 HA MET 32 -3.168 19.726 0.280 198 HB2 MET 32 HB2 MET 32 -4.043 21.068 2.454 199 HB3 MET 32 HB3 MET 32 -5.138 21.727 1.239 200 HG2 MET 32 HG2 MET 32 -6.296 19.793 1.120 201 HG3 MET 32 HG3 MET 32 -4.818 18.848 0.937 202 HE1 MET 32 HE1 MET 32 -7.566 18.160 4.008 203 HE2 MET 32 HE2 MET 32 -7.690 18.850 2.355 204 HE3 MET 32 HE3 MET 32 -6.989 17.244 2.747 205 H GLU 33 H GLU 33 -3.343 23.201 -0.301 206 HA GLU 33 HA GLU 33 -5.215 23.125 -2.424 207 HB2 GLU 33 HB2 GLU 33 -3.893 25.106 -1.029 208 HB3 GLU 33 HB3 GLU 33 -3.174 25.216 -2.636 209 HG2 GLU 33 HG2 GLU 33 -5.379 25.404 -3.656 210 HG3 GLU 33 HG3 GLU 33 -6.157 25.155 -2.093 211 H LEU 34 H LEU 34 -1.714 22.748 -2.293 212 HA LEU 34 HA LEU 34 -1.214 22.903 -5.075 213 HB2 LEU 34 HB2 LEU 34 0.541 23.046 -3.311 214 HB3 LEU 34 HB3 LEU 34 0.319 21.326 -2.993 215 HG LEU 34 HG LEU 34 1.605 20.772 -4.759 216 HD11 LEU 34 HD11 LEU 34 0.752 21.005 -6.859 217 HD12 LEU 34 HD12 LEU 34 0.612 22.757 -6.711 218 HD13 LEU 34 HD13 LEU 34 -0.630 21.711 -6.022 219 HD21 LEU 34 HD21 LEU 34 2.134 23.581 -4.245 220 HD22 LEU 34 HD22 LEU 34 2.430 23.184 -5.938 221 HD23 LEU 34 HD23 LEU 34 3.266 22.295 -4.665 222 H LEU 35 H LEU 35 -1.514 20.045 -2.950 223 HA LEU 35 HA LEU 35 -1.390 18.097 -4.948 224 HB2 LEU 35 HB2 LEU 35 -2.926 18.039 -2.337 225 HB3 LEU 35 HB3 LEU 35 -2.543 16.628 -3.323 226 HG LEU 35 HG LEU 35 -0.350 18.485 -2.427 227 HD11 LEU 35 HD11 LEU 35 -2.060 17.062 -0.664 228 HD12 LEU 35 HD12 LEU 35 -0.540 17.866 -0.272 229 HD13 LEU 35 HD13 LEU 35 -0.543 16.165 -0.736 230 HD21 LEU 35 HD21 LEU 35 0.273 16.840 -4.072 231 HD22 LEU 35 HD22 LEU 35 -0.564 15.561 -3.192 232 HD23 LEU 35 HD23 LEU 35 0.901 16.280 -2.522 233 H SER 36 H SER 36 -4.094 20.040 -3.805 234 HA SER 36 HA SER 36 -6.230 18.664 -4.943 235 HB2 SER 36 HB2 SER 36 -6.547 20.580 -3.459 236 HB3 SER 36 HB3 SER 36 -5.842 21.655 -4.665 237 HG SER 36 HG SER 36 -8.152 20.054 -5.046 238 H VAL 37 H VAL 37 -4.250 21.255 -6.389 239 HA VAL 37 HA VAL 37 -5.521 21.217 -8.916 240 HB VAL 37 HB VAL 37 -2.697 22.047 -8.196 241 HG11 VAL 37 HG11 VAL 37 -4.357 22.209 -10.676 242 HG12 VAL 37 HG12 VAL 37 -2.614 21.998 -10.505 243 HG13 VAL 37 HG13 VAL 37 -3.335 23.592 -10.281 244 HG21 VAL 37 HG21 VAL 37 -5.150 23.117 -7.373 245 HG22 VAL 37 HG22 VAL 37 -4.649 24.144 -8.717 246 HG23 VAL 37 HG23 VAL 37 -3.586 23.930 -7.325 247 H SER 38 H SER 38 -2.683 19.518 -7.644 248 HA SER 38 HA SER 38 -3.019 17.305 -9.389 249 HB2 SER 38 HB2 SER 38 -1.692 17.761 -11.154 250 HB3 SER 38 HB3 SER 38 -1.812 19.449 -10.657 251 HG SER 38 HG SER 38 0.178 19.386 -10.019 252 H GLU 39 H GLU 39 -1.979 15.580 -8.559 253 HA GLU 39 HA GLU 39 -0.863 15.524 -6.060 254 HB2 GLU 39 HB2 GLU 39 0.483 13.471 -7.188 255 HB3 GLU 39 HB3 GLU 39 -1.227 13.385 -6.762 256 HG2 GLU 39 HG2 GLU 39 -1.351 14.559 -9.231 257 HG3 GLU 39 HG3 GLU 39 0.050 13.506 -9.423 258 H ALA 40 H ALA 40 1.449 14.884 -5.507 259 HA ALA 40 HA ALA 40 3.539 15.964 -7.185 260 HB1 ALA 40 HB1 ALA 40 3.502 18.053 -6.360 261 HB2 ALA 40 HB2 ALA 40 4.006 17.371 -4.813 262 HB3 ALA 40 HB3 ALA 40 2.293 17.619 -5.151 263 H SER 41 H SER 41 5.629 15.427 -6.442 264 HA SER 41 HA SER 41 5.661 13.144 -4.636 265 HB2 SER 41 HB2 SER 41 6.955 13.460 -6.907 266 HB3 SER 41 HB3 SER 41 8.126 14.297 -5.889 267 HG SER 41 HG SER 41 8.418 11.966 -6.143 268 H VAL 42 H VAL 42 7.653 13.028 -3.137 269 HA VAL 42 HA VAL 42 7.367 14.930 -1.099 270 HB VAL 42 HB VAL 42 9.541 12.923 -1.702 271 HG11 VAL 42 HG11 VAL 42 10.549 14.772 -0.399 272 HG12 VAL 42 HG12 VAL 42 9.181 14.697 0.756 273 HG13 VAL 42 HG13 VAL 42 10.426 13.422 0.558 274 HG21 VAL 42 HG21 VAL 42 7.065 13.055 -0.028 275 HG22 VAL 42 HG22 VAL 42 8.425 12.108 0.576 276 HG23 VAL 42 HG23 VAL 42 7.701 11.715 -0.983 277 H GLY 43 H GLY 43 10.288 14.437 -3.098 278 HA2 GLY 43 HA2 GLY 43 11.567 16.820 -2.388 279 HA3 GLY 43 HA3 GLY 43 11.870 15.919 -3.869 280 H HIS 44 H HIS 44 9.086 16.176 -4.780 281 HA HIS 44 HA HIS 44 9.322 18.527 -6.313 282 HB2 HIS 44 HB2 HIS 44 7.784 16.326 -6.507 283 HB3 HIS 44 HB3 HIS 44 6.602 17.442 -5.823 284 HD1 HIS 44 HD1 HIS 44 5.337 18.637 -7.595 285 HD2 HIS 44 HD2 HIS 44 9.250 17.846 -8.797 286 HE1 HIS 44 HE1 HIS 44 5.573 19.581 -9.933 287 HE2 HIS 44 HE2 HIS 44 7.953 19.107 -10.680 288 H ILE 45 H ILE 45 7.450 17.813 -3.382 289 HA ILE 45 HA ILE 45 6.104 20.288 -3.215 290 HB ILE 45 HB ILE 45 6.793 18.126 -1.252 291 HG12 ILE 45 HG12 ILE 45 4.126 19.355 -1.973 292 HG13 ILE 45 HG13 ILE 45 4.854 18.067 -2.933 293 HG21 ILE 45 HG21 ILE 45 6.618 20.828 -0.516 294 HG22 ILE 45 HG22 ILE 45 6.470 19.435 0.556 295 HG23 ILE 45 HG23 ILE 45 5.027 20.157 -0.157 296 HD11 ILE 45 HD11 ILE 45 3.661 16.756 -1.465 297 HD12 ILE 45 HD12 ILE 45 3.704 17.969 -0.185 298 HD13 ILE 45 HD13 ILE 45 5.119 16.964 -0.495 299 H SER 46 H SER 46 9.307 19.262 -2.224 300 HA SER 46 HA SER 46 10.141 21.071 -0.397 301 HB2 SER 46 HB2 SER 46 11.576 19.366 -1.568 302 HB3 SER 46 HB3 SER 46 11.712 20.492 -2.918 303 HG SER 46 HG SER 46 12.844 20.577 -0.397 304 H HIS 47 H HIS 47 9.502 21.729 -3.803 305 HA HIS 47 HA HIS 47 10.564 24.320 -3.962 306 HB2 HIS 47 HB2 HIS 47 8.643 22.694 -5.491 307 HB3 HIS 47 HB3 HIS 47 8.391 24.434 -5.622 308 HD1 HIS 47 HD1 HIS 47 10.331 21.781 -7.077 309 HD2 HIS 47 HD2 HIS 47 11.045 25.802 -6.241 310 HE1 HIS 47 HE1 HIS 47 12.317 22.464 -8.491 311 HE2 HIS 47 HE2 HIS 47 12.765 24.914 -7.993 312 H GLN 48 H GLN 48 7.129 23.434 -3.520 313 HA GLN 48 HA GLN 48 5.946 25.801 -3.063 314 HB2 GLN 48 HB2 GLN 48 5.370 23.137 -2.376 315 HB3 GLN 48 HB3 GLN 48 5.185 24.061 -0.885 316 HG2 GLN 48 HG2 GLN 48 3.134 23.889 -2.461 317 HG3 GLN 48 HG3 GLN 48 3.551 25.479 -1.825 318 HE21 GLN 48 HE21 GLN 48 4.648 23.461 -4.624 319 HE22 GLN 48 HE22 GLN 48 4.553 24.728 -5.750 320 H LEU 49 H LEU 49 7.072 23.988 -0.212 321 HA LEU 49 HA LEU 49 7.679 26.569 1.081 322 HB2 LEU 49 HB2 LEU 49 6.376 24.168 1.971 323 HB3 LEU 49 HB3 LEU 49 7.811 24.450 2.956 324 HG LEU 49 HG LEU 49 7.021 26.871 3.170 325 HD11 LEU 49 HD11 LEU 49 4.497 25.601 2.064 326 HD12 LEU 49 HD12 LEU 49 5.444 26.877 1.298 327 HD13 LEU 49 HD13 LEU 49 4.578 27.202 2.799 328 HD21 LEU 49 HD21 LEU 49 5.051 24.882 4.305 329 HD22 LEU 49 HD22 LEU 49 5.667 26.357 5.051 330 HD23 LEU 49 HD23 LEU 49 6.721 24.954 4.869 331 H ASN 50 H ASN 50 9.103 23.737 -0.208 332 HA ASN 50 HA ASN 50 11.238 22.868 -0.148 333 HB2 ASN 50 HB3 ASN 50 12.805 25.158 0.241 334 HB3 ASN 50 HB2 ASN 50 12.313 24.443 -1.319 335 HD21 ASN 50 HD21 ASN 50 11.000 26.470 1.426 336 HD22 ASN 50 HD22 ASN 50 10.341 27.673 0.426 337 H LEU 51 H LEU 51 13.343 22.801 1.127 338 HA LEU 51 HA LEU 51 14.204 23.608 3.411 339 HB2 LEU 51 HB2 LEU 51 11.409 23.141 3.865 340 HB3 LEU 51 HB3 LEU 51 12.348 22.083 4.918 341 HG LEU 51 HG LEU 51 13.673 24.031 5.680 342 HD11 LEU 51 HD11 LEU 51 13.071 26.279 5.006 343 HD12 LEU 51 HD12 LEU 51 11.709 25.678 4.061 344 HD13 LEU 51 HD13 LEU 51 13.360 25.332 3.547 345 HD21 LEU 51 HD21 LEU 51 12.042 23.898 7.255 346 HD22 LEU 51 HD22 LEU 51 10.768 23.722 6.048 347 HD23 LEU 51 HD23 LEU 51 11.372 25.326 6.465 348 H SER 52 H SER 52 12.835 20.942 4.789 349 HA SER 52 HA SER 52 14.901 19.142 3.671 350 HB2 SER 52 HB2 SER 52 15.461 19.871 5.960 351 HB3 SER 52 HB3 SER 52 13.901 19.275 6.527 352 HG SER 52 HG SER 52 15.639 17.771 6.807 353 H GLN 53 H GLN 53 14.141 17.334 2.785 354 HA GLN 53 HA GLN 53 11.441 16.723 2.503 355 HB2 GLN 53 HB2 GLN 53 13.410 14.480 2.517 356 HB3 GLN 53 HB3 GLN 53 12.138 14.854 1.354 357 HG2 GLN 53 HG2 GLN 53 13.459 16.800 0.563 358 HG3 GLN 53 HG3 GLN 53 14.741 16.374 1.695 359 HE21 GLN 53 HE21 GLN 53 15.400 13.872 1.430 360 HE22 GLN 53 HE22 GLN 53 15.608 13.366 -0.177 361 H SER 54 H SER 54 13.741 15.725 4.979 362 HA SER 54 HA SER 54 12.261 13.684 6.195 363 HB2 SER 54 HB2 SER 54 13.909 13.715 7.748 364 HB3 SER 54 HB3 SER 54 14.676 14.885 6.674 365 HG SER 54 HG SER 54 14.547 16.108 8.382 366 H ASN 55 H ASN 55 11.878 17.143 6.281 367 HA ASN 55 HA ASN 55 10.206 17.222 8.612 368 HB2 ASN 55 HB2 ASN 55 11.559 19.115 7.232 369 HB3 ASN 55 HB3 ASN 55 9.942 19.354 6.572 370 HD21 ASN 55 HD21 ASN 55 10.505 21.502 7.940 371 HD22 ASN 55 HD22 ASN 55 9.919 21.489 9.533 372 H VAL 56 H VAL 56 9.641 17.148 5.113 373 HA VAL 56 HA VAL 56 6.805 17.392 5.286 374 HB VAL 56 HB VAL 56 8.316 16.065 3.036 375 HG11 VAL 56 HG11 VAL 56 6.058 15.957 2.516 376 HG12 VAL 56 HG12 VAL 56 6.453 17.543 1.853 377 HG13 VAL 56 HG13 VAL 56 5.672 17.415 3.429 378 HG21 VAL 56 HG21 VAL 56 9.097 18.095 2.262 379 HG22 VAL 56 HG22 VAL 56 9.169 18.412 3.995 380 HG23 VAL 56 HG23 VAL 56 7.808 19.008 3.046 381 H SER 57 H SER 57 8.996 14.616 4.895 382 HA SER 57 HA SER 57 7.111 12.589 4.636 383 HB2 SER 57 HB2 SER 57 8.895 11.147 5.763 384 HB3 SER 57 HB3 SER 57 9.397 12.025 4.319 385 HG SER 57 HG SER 57 10.921 12.341 5.921 386 H HIS 58 H HIS 58 8.502 13.968 7.608 387 HA HIS 58 HA HIS 58 7.245 12.319 9.471 388 HB2 HIS 58 HB2 HIS 58 8.284 15.126 9.527 389 HB3 HIS 58 HB3 HIS 58 7.341 14.539 10.897 390 HD1 HIS 58 HD1 HIS 58 9.700 12.409 8.841 391 HD2 HIS 58 HD2 HIS 58 9.479 14.071 12.658 392 HE1 HIS 58 HE1 HIS 58 11.621 11.422 10.165 393 HE2 HIS 58 HE2 HIS 58 11.500 12.425 12.494 394 H GLN 59 H GLN 59 6.112 15.403 8.092 395 HA GLN 59 HA GLN 59 3.670 15.523 9.487 396 HB2 GLN 59 HB2 GLN 59 4.994 17.091 7.600 397 HB3 GLN 59 HB3 GLN 59 3.502 16.608 6.792 398 HG2 GLN 59 HG2 GLN 59 2.147 17.632 8.391 399 HG3 GLN 59 HG3 GLN 59 3.391 17.559 9.637 400 HE21 GLN 59 HE21 GLN 59 2.094 20.017 9.145 401 HE22 GLN 59 HE22 GLN 59 3.187 21.086 8.408 402 H LEU 60 H LEU 60 4.017 14.779 6.015 403 HA LEU 60 HA LEU 60 1.591 13.821 5.385 404 HB2 LEU 60 HB2 LEU 60 4.204 13.468 4.352 405 HB3 LEU 60 HB3 LEU 60 3.460 11.870 4.409 406 HG LEU 60 HG LEU 60 1.379 13.306 3.445 407 HD11 LEU 60 HD11 LEU 60 2.919 14.612 1.558 408 HD12 LEU 60 HD12 LEU 60 3.797 14.927 3.055 409 HD13 LEU 60 HD13 LEU 60 2.101 15.389 2.914 410 HD21 LEU 60 HD21 LEU 60 2.179 12.554 1.163 411 HD22 LEU 60 HD22 LEU 60 2.193 11.292 2.395 412 HD23 LEU 60 HD23 LEU 60 3.698 12.082 1.925 413 H LYS 61 H LYS 61 3.881 12.259 7.512 414 HA LYS 61 HA LYS 61 2.569 9.716 7.596 415 HB2 LYS 61 HB2 LYS 61 4.999 10.363 8.297 416 HB3 LYS 61 HB3 LYS 61 4.255 10.788 9.839 417 HG2 LYS 61 HG2 LYS 61 3.308 8.530 10.028 418 HG3 LYS 61 HG3 LYS 61 3.992 8.098 8.461 419 HD2 LYS 61 HD2 LYS 61 6.231 8.282 9.284 420 HD3 LYS 61 HD3 LYS 61 5.693 9.073 10.765 421 HE2 LYS 61 HE2 LYS 61 5.917 6.935 11.587 422 HE3 LYS 61 HE3 LYS 61 4.268 6.805 10.974 423 HZ1 LYS 61 HZ1 LYS 61 6.723 5.637 9.957 424 HZ2 LYS 61 HZ2 LYS 61 5.656 6.240 8.781 425 HZ3 LYS 61 HZ3 LYS 61 5.129 5.058 9.880 426 H LEU 62 H LEU 62 2.230 12.743 9.321 427 HA LEU 62 HA LEU 62 0.631 11.702 11.459 428 HB2 LEU 62 HB2 LEU 62 1.934 14.068 11.017 429 HB3 LEU 62 HB3 LEU 62 0.256 14.533 10.737 430 HG LEU 62 HG LEU 62 -0.211 13.207 12.944 431 HD11 LEU 62 HD11 LEU 62 1.712 13.277 14.509 432 HD12 LEU 62 HD12 LEU 62 2.747 13.833 13.194 433 HD13 LEU 62 HD13 LEU 62 2.033 12.221 13.133 434 HD21 LEU 62 HD21 LEU 62 0.211 15.880 12.338 435 HD22 LEU 62 HD22 LEU 62 1.278 15.611 13.717 436 HD23 LEU 62 HD23 LEU 62 -0.446 15.267 13.856 437 H LEU 63 H LEU 63 -0.097 13.449 8.443 438 HA LEU 63 HA LEU 63 -2.902 13.516 8.786 439 HB2 LEU 63 HB2 LEU 63 -1.597 13.352 6.082 440 HB3 LEU 63 HB3 LEU 63 -3.001 14.296 6.582 441 HG LEU 63 HG LEU 63 -0.209 14.788 7.648 442 HD11 LEU 63 HD11 LEU 63 0.185 15.509 5.514 443 HD12 LEU 63 HD12 LEU 63 -0.733 16.918 6.046 444 HD13 LEU 63 HD13 LEU 63 -1.532 15.638 5.133 445 HD21 LEU 63 HD21 LEU 63 -2.805 15.695 8.382 446 HD22 LEU 63 HD22 LEU 63 -1.975 17.053 7.621 447 HD23 LEU 63 HD23 LEU 63 -1.252 16.245 9.011 448 H LYS 64 H LYS 64 -0.726 11.014 7.778 449 HA LYS 64 HA LYS 64 -2.625 9.396 6.384 450 HB2 LYS 64 HB2 LYS 64 -0.135 9.200 6.155 451 HB3 LYS 64 HB3 LYS 64 -0.088 8.509 7.777 452 HG2 LYS 64 HG2 LYS 64 -1.660 6.725 7.021 453 HG3 LYS 64 HG3 LYS 64 -1.585 7.388 5.388 454 HD2 LYS 64 HD2 LYS 64 0.884 7.039 5.398 455 HD3 LYS 64 HD3 LYS 64 0.747 6.289 6.988 456 HE2 LYS 64 HE2 LYS 64 -0.608 4.500 6.110 457 HE3 LYS 64 HE3 LYS 64 -0.763 5.310 4.551 458 HZ1 LYS 64 HZ1 LYS 64 1.954 4.864 5.438 459 HZ2 LYS 64 HZ2 LYS 64 1.260 4.641 3.905 460 HZ3 LYS 64 HZ3 LYS 64 1.077 3.450 5.101 461 H SER 65 H SER 65 -1.877 9.930 9.722 462 HA SER 65 HA SER 65 -3.056 7.476 10.682 463 HB2 SER 65 HB2 SER 65 -1.262 8.868 11.865 464 HB3 SER 65 HB3 SER 65 -2.562 9.977 12.298 465 HG SER 65 HG SER 65 -2.409 8.510 13.935 466 H VAL 66 H VAL 66 -4.149 10.679 9.899 467 HA VAL 66 HA VAL 66 -6.644 10.434 11.359 468 HB VAL 66 HB VAL 66 -6.010 12.473 9.228 469 HG11 VAL 66 HG11 VAL 66 -7.977 12.122 11.436 470 HG12 VAL 66 HG12 VAL 66 -8.177 12.898 9.865 471 HG13 VAL 66 HG13 VAL 66 -7.364 13.755 11.174 472 HG21 VAL 66 HG21 VAL 66 -4.227 13.066 10.499 473 HG22 VAL 66 HG22 VAL 66 -4.737 12.042 11.841 474 HG23 VAL 66 HG23 VAL 66 -5.421 13.657 11.655 475 H HIS 67 H HIS 67 -5.420 9.518 8.296 476 HA HIS 67 HA HIS 67 -6.447 8.224 6.668 477 HB2 HIS 67 HB2 HIS 67 -8.432 8.302 8.742 478 HB3 HIS 67 HB3 HIS 67 -9.218 8.516 7.177 479 HD1 HIS 67 HD1 HIS 67 -6.397 6.728 6.222 480 HD2 HIS 67 HD2 HIS 67 -9.802 5.615 8.354 481 HE1 HIS 67 HE1 HIS 67 -6.566 4.208 6.036 482 HE2 HIS 67 HE2 HIS 67 -8.637 3.514 7.331 483 H LEU 68 H LEU 68 -6.079 11.199 6.764 484 HA LEU 68 HA LEU 68 -8.224 12.150 5.012 485 HB2 LEU 68 HB2 LEU 68 -6.480 13.368 6.901 486 HB3 LEU 68 HB3 LEU 68 -6.121 14.064 5.321 487 HG LEU 68 HG LEU 68 -8.996 13.737 5.813 488 HD11 LEU 68 HD11 LEU 68 -9.139 15.622 7.414 489 HD12 LEU 68 HD12 LEU 68 -7.380 15.636 7.542 490 HD13 LEU 68 HD13 LEU 68 -8.295 14.243 8.119 491 HD21 LEU 68 HD21 LEU 68 -8.502 15.083 3.988 492 HD22 LEU 68 HD22 LEU 68 -7.076 15.780 4.757 493 HD23 LEU 68 HD23 LEU 68 -8.687 16.312 5.240 494 H VAL 69 H VAL 69 -4.921 11.071 4.895 495 HA VAL 69 HA VAL 69 -4.862 11.674 1.998 496 HB VAL 69 HB VAL 69 -2.240 11.232 3.151 497 HG11 VAL 69 HG11 VAL 69 -3.351 12.563 1.028 498 HG12 VAL 69 HG12 VAL 69 -1.704 12.816 1.606 499 HG13 VAL 69 HG13 VAL 69 -2.998 13.895 2.129 500 HG21 VAL 69 HG21 VAL 69 -2.744 13.802 4.134 501 HG22 VAL 69 HG22 VAL 69 -2.467 12.352 5.099 502 HG23 VAL 69 HG23 VAL 69 -4.112 12.842 4.696 503 H LYS 70 H LYS 70 -3.441 10.165 0.758 504 HA LYS 70 HA LYS 70 -3.141 7.505 1.945 505 HB2 LYS 70 HB2 LYS 70 -5.442 8.004 0.613 506 HB3 LYS 70 HB3 LYS 70 -4.410 7.516 -0.732 507 HG2 LYS 70 HG2 LYS 70 -4.048 5.380 0.151 508 HG3 LYS 70 HG3 LYS 70 -4.438 5.886 1.795 509 HD2 LYS 70 HD2 LYS 70 -6.733 5.800 1.420 510 HD3 LYS 70 HD3 LYS 70 -6.562 6.056 -0.316 511 HE2 LYS 70 HE2 LYS 70 -5.266 3.597 0.651 512 HE3 LYS 70 HE3 LYS 70 -7.015 3.614 0.877 513 HZ1 LYS 70 HZ1 LYS 70 -6.033 4.564 -1.690 514 HZ2 LYS 70 HZ2 LYS 70 -7.396 3.617 -1.329 515 HZ3 LYS 70 HZ3 LYS 70 -5.858 2.901 -1.394 516 H ALA 71 H ALA 71 -1.313 6.562 1.280 517 HA ALA 71 HA ALA 71 0.084 7.750 -1.036 518 HB1 ALA 71 HB1 ALA 71 1.223 6.159 1.277 519 HB2 ALA 71 HB2 ALA 71 1.263 7.917 1.136 520 HB3 ALA 71 HB3 ALA 71 2.148 6.919 -0.018 521 H LYS 72 H LYS 72 1.038 6.411 -2.584 522 HA LYS 72 HA LYS 72 0.330 3.548 -2.456 523 HB2 LYS 72 HB2 LYS 72 -0.601 5.558 -4.367 524 HB3 LYS 72 HB3 LYS 72 0.166 4.175 -5.147 525 HG2 LYS 72 HG2 LYS 72 -1.344 2.909 -3.268 526 HG3 LYS 72 HG3 LYS 72 -2.357 4.313 -3.602 527 HD2 LYS 72 HD2 LYS 72 -1.215 2.486 -5.736 528 HD3 LYS 72 HD3 LYS 72 -2.855 2.365 -5.098 529 HE2 LYS 72 HE2 LYS 72 -2.819 4.992 -5.709 530 HE3 LYS 72 HE3 LYS 72 -1.672 4.404 -6.913 531 HZ1 LYS 72 HZ1 LYS 72 -4.512 4.042 -6.767 532 HZ2 LYS 72 HZ2 LYS 72 -3.679 2.580 -6.999 533 HZ3 LYS 72 HZ3 LYS 72 -3.463 3.863 -8.091 534 H ARG 73 H ARG 73 1.625 2.194 -3.878 535 HA ARG 73 HA ARG 73 4.358 3.246 -4.129 536 HB2 ARG 73 HB2 ARG 73 3.213 0.707 -3.378 537 HB3 ARG 73 HB3 ARG 73 4.317 0.495 -4.736 538 HG2 ARG 73 HG2 ARG 73 6.130 1.484 -3.547 539 HG3 ARG 73 HG3 ARG 73 5.059 2.129 -2.303 540 HD2 ARG 73 HD2 ARG 73 6.358 0.052 -1.633 541 HD3 ARG 73 HD3 ARG 73 4.611 -0.060 -1.433 542 HE ARG 73 HE ARG 73 5.074 -1.051 -3.952 543 HH11 ARG 73 HH21 ARG 73 6.225 -1.697 -0.753 544 HH12 ARG 73 HH22 ARG 73 6.498 -3.382 -1.043 545 HH21 ARG 73 HH11 ARG 73 5.429 -3.260 -4.340 546 HH22 ARG 73 HH12 ARG 73 6.047 -4.268 -3.073 547 H GLN 74 H GLN 74 5.381 3.446 -6.047 548 HA GLN 74 HA GLN 74 4.270 2.200 -8.444 549 HB2 GLN 74 HB2 GLN 74 3.550 4.811 -7.803 550 HB3 GLN 74 HB3 GLN 74 4.869 5.005 -8.957 551 HG2 GLN 74 HG2 GLN 74 3.726 3.456 -10.512 552 HG3 GLN 74 HG3 GLN 74 2.401 3.289 -9.362 553 HE21 GLN 74 HE21 GLN 74 1.120 4.207 -11.302 554 HE22 GLN 74 HE22 GLN 74 1.050 5.896 -11.456 555 H GLY 75 H GLY 75 6.240 1.028 -8.420 556 HA2 GLY 75 HA2 GLY 75 8.305 0.684 -9.447 557 HA3 GLY 75 HA3 GLY 75 8.413 2.414 -9.753 558 H GLN 76 H GLN 76 9.735 3.595 -8.498 559 HA GLN 76 HA GLN 76 10.657 2.413 -5.948 560 HB2 GLN 76 HB2 GLN 76 12.342 4.011 -7.892 561 HB3 GLN 76 HB3 GLN 76 12.888 3.265 -6.390 562 HG2 GLN 76 HG2 GLN 76 12.510 1.056 -7.253 563 HG3 GLN 76 HG3 GLN 76 11.654 1.687 -8.659 564 HE21 GLN 76 HE21 GLN 76 13.157 0.806 -10.221 565 HE22 GLN 76 HE22 GLN 76 14.748 1.379 -10.359 566 H SER 77 H SER 77 8.740 4.680 -7.036 567 HA SER 77 HA SER 77 9.608 6.659 -5.020 568 HB2 SER 77 HB2 SER 77 9.833 7.237 -7.606 569 HB3 SER 77 HB3 SER 77 8.112 7.580 -7.435 570 HG SER 77 HG SER 77 9.320 9.424 -6.968 571 H MET 78 H MET 78 8.083 7.208 -3.584 572 HA MET 78 HA MET 78 5.445 5.995 -3.829 573 HB2 MET 78 HB2 MET 78 5.822 7.700 -1.509 574 HB3 MET 78 HB3 MET 78 5.492 5.969 -1.582 575 HG2 MET 78 HG2 MET 78 7.812 5.442 -1.816 576 HG3 MET 78 HG3 MET 78 8.233 7.125 -2.133 577 HE1 MET 78 HE1 MET 78 9.824 5.443 0.287 578 HE2 MET 78 HE2 MET 78 8.419 4.441 -0.073 579 HE3 MET 78 HE3 MET 78 8.704 4.998 1.575 580 H ILE 79 H ILE 79 3.844 7.045 -4.801 581 HA ILE 79 HA ILE 79 3.919 9.985 -4.921 582 HB ILE 79 HB ILE 79 1.929 8.310 -6.411 583 HG12 ILE 79 HG12 ILE 79 4.744 7.914 -6.558 584 HG13 ILE 79 HG13 ILE 79 3.503 7.246 -7.618 585 HG21 ILE 79 HG21 ILE 79 2.417 10.993 -6.278 586 HG22 ILE 79 HG22 ILE 79 1.690 10.195 -7.672 587 HG23 ILE 79 HG23 ILE 79 3.420 10.541 -7.656 588 HD11 ILE 79 HD11 ILE 79 3.580 9.624 -8.737 589 HD12 ILE 79 HD12 ILE 79 4.822 8.436 -9.134 590 HD13 ILE 79 HD13 ILE 79 5.169 9.721 -7.977 591 H TYR 80 H TYR 80 2.275 11.248 -4.137 592 HA TYR 80 HA TYR 80 0.326 9.874 -2.397 593 HB2 TYR 80 HB2 TYR 80 1.136 12.785 -2.302 594 HB3 TYR 80 HB3 TYR 80 0.248 11.874 -1.081 595 HD1 TYR 80 HD2 TYR 80 3.544 12.372 -2.682 596 HD2 TYR 80 HD1 TYR 80 1.377 10.357 0.431 597 HE1 TYR 80 HE2 TYR 80 5.686 11.697 -1.628 598 HE2 TYR 80 HE1 TYR 80 3.518 9.682 1.485 599 HH TYR 80 HH TYR 80 6.083 10.842 1.339 600 H SER 81 H SER 81 -1.591 11.674 -2.031 601 HA SER 81 HA SER 81 -2.614 13.277 -3.956 602 HB2 SER 81 HB2 SER 81 -3.242 12.107 -5.772 603 HB3 SER 81 HB3 SER 81 -2.245 10.791 -5.153 604 HG SER 81 HG SER 81 -4.365 10.088 -5.510 605 H LEU 82 H LEU 82 -4.966 13.547 -3.865 606 HA LEU 82 HA LEU 82 -5.992 13.415 -1.281 607 HB2 LEU 82 HB2 LEU 82 -7.877 13.325 -3.602 608 HB3 LEU 82 HB3 LEU 82 -7.925 14.332 -2.155 609 HG LEU 82 HG LEU 82 -5.984 14.618 -4.469 610 HD11 LEU 82 HD11 LEU 82 -8.547 15.432 -4.450 611 HD12 LEU 82 HD12 LEU 82 -7.266 16.383 -5.203 612 HD13 LEU 82 HD13 LEU 82 -7.826 16.786 -3.579 613 HD21 LEU 82 HD21 LEU 82 -5.610 16.845 -3.045 614 HD22 LEU 82 HD22 LEU 82 -4.701 15.373 -2.699 615 HD23 LEU 82 HD23 LEU 82 -6.108 15.791 -1.721 616 H ASP 83 H ASP 83 -8.112 12.269 -0.718 617 HA ASP 83 HA ASP 83 -7.681 9.408 -1.102 618 HB2 ASP 83 HB2 ASP 83 -8.164 10.508 1.152 619 HB3 ASP 83 HB3 ASP 83 -9.818 10.717 0.581 620 H ASP 84 H ASP 84 -10.318 11.770 -1.509 621 HA ASP 84 HA ASP 84 -11.353 10.192 -3.739 622 HB2 ASP 84 HB2 ASP 84 -12.831 10.675 -1.165 623 HB3 ASP 84 HB3 ASP 84 -13.706 10.486 -2.683 624 H ILE 85 H ILE 85 -13.895 11.648 -3.651 625 HA ILE 85 HA ILE 85 -12.899 14.232 -4.662 626 HB ILE 85 HB ILE 85 -15.377 14.218 -5.593 627 HG12 ILE 85 HG12 ILE 85 -14.761 11.271 -5.209 628 HG13 ILE 85 HG13 ILE 85 -16.006 12.169 -4.340 629 HG21 ILE 85 HG21 ILE 85 -13.775 14.248 -7.251 630 HG22 ILE 85 HG22 ILE 85 -14.352 12.595 -7.465 631 HG23 ILE 85 HG23 ILE 85 -12.876 12.902 -6.550 632 HD11 ILE 85 HD11 ILE 85 -15.877 11.781 -7.346 633 HD12 ILE 85 HD12 ILE 85 -17.113 12.700 -6.488 634 HD13 ILE 85 HD13 ILE 85 -16.985 10.957 -6.249 635 H HIS 86 H HIS 86 -13.901 13.145 -1.839 636 HA HIS 86 HA HIS 86 -16.015 15.042 -1.247 637 HB2 HIS 86 HB2 HIS 86 -14.421 13.243 0.597 638 HB3 HIS 86 HB3 HIS 86 -15.882 14.132 1.027 639 HD1 HIS 86 HD1 HIS 86 -15.165 10.848 0.511 640 HD2 HIS 86 HD2 HIS 86 -17.814 13.370 -1.489 641 HE1 HIS 86 HE1 HIS 86 -16.874 9.350 -0.608 642 HE2 HIS 86 HE2 HIS 86 -18.496 10.873 -1.832 643 H VAL 87 H VAL 87 -12.560 14.670 -0.584 644 HA VAL 87 HA VAL 87 -12.315 16.886 1.169 645 HB VAL 87 HB VAL 87 -9.867 16.607 -0.159 646 HG11 VAL 87 HG11 VAL 87 -9.674 14.908 1.967 647 HG12 VAL 87 HG12 VAL 87 -11.122 15.816 2.401 648 HG13 VAL 87 HG13 VAL 87 -9.605 16.665 2.106 649 HG21 VAL 87 HG21 VAL 87 -9.523 14.294 -0.520 650 HG22 VAL 87 HG22 VAL 87 -11.092 14.610 -1.260 651 HG23 VAL 87 HG23 VAL 87 -11.004 13.854 0.331 652 H ALA 88 H ALA 88 -11.959 16.536 -2.339 653 HA ALA 88 HA ALA 88 -10.946 19.033 -2.990 654 HB1 ALA 88 HB1 ALA 88 -12.419 18.703 -5.122 655 HB2 ALA 88 HB2 ALA 88 -12.784 17.131 -4.411 656 HB3 ALA 88 HB3 ALA 88 -11.117 17.560 -4.792 657 H THR 89 H THR 89 -14.402 18.121 -2.948 658 HA THR 89 HA THR 89 -15.461 20.662 -3.367 659 HB THR 89 HB THR 89 -17.451 19.701 -2.006 660 HG1 THR 89 HG1 THR 89 -16.999 17.243 -2.165 661 HG21 THR 89 HG21 THR 89 -16.577 17.942 -4.287 662 HG22 THR 89 HG22 THR 89 -16.945 19.644 -4.570 663 HG23 THR 89 HG23 THR 89 -18.186 18.569 -3.925 664 H MET 90 H MET 90 -15.009 19.004 -0.234 665 HA MET 90 HA MET 90 -15.827 20.855 1.552 666 HB2 MET 90 HB2 MET 90 -14.394 18.607 1.803 667 HB3 MET 90 HB3 MET 90 -13.103 19.776 2.076 668 HG2 MET 90 HG2 MET 90 -14.061 20.587 4.019 669 HG3 MET 90 HG3 MET 90 -15.701 20.204 3.493 670 HE1 MET 90 HE1 MET 90 -13.023 18.796 6.175 671 HE2 MET 90 HE2 MET 90 -14.637 18.544 6.838 672 HE3 MET 90 HE3 MET 90 -14.243 20.062 6.032 673 H LEU 91 H LEU 91 -12.482 20.827 0.288 674 HA LEU 91 HA LEU 91 -11.583 23.196 1.370 675 HB2 LEU 91 HB2 LEU 91 -10.391 21.438 -0.164 676 HB3 LEU 91 HB3 LEU 91 -10.888 22.515 -1.469 677 HG LEU 91 HG LEU 91 -9.871 24.404 -0.004 678 HD11 LEU 91 HD11 LEU 91 -9.470 22.194 1.699 679 HD12 LEU 91 HD12 LEU 91 -8.831 23.824 1.910 680 HD13 LEU 91 HD13 LEU 91 -7.874 22.603 1.071 681 HD21 LEU 91 HD21 LEU 91 -8.005 24.287 -1.331 682 HD22 LEU 91 HD22 LEU 91 -8.922 22.999 -2.111 683 HD23 LEU 91 HD23 LEU 91 -7.689 22.602 -0.915 684 H LYS 92 H LYS 92 -13.262 22.768 -1.745 685 HA LYS 92 HA LYS 92 -13.287 25.471 -2.508 686 HB2 LYS 92 HB2 LYS 92 -14.877 23.047 -3.218 687 HB3 LYS 92 HB3 LYS 92 -15.513 24.621 -3.697 688 HG2 LYS 92 HG2 LYS 92 -13.273 25.134 -4.724 689 HG3 LYS 92 HG3 LYS 92 -12.793 23.471 -4.383 690 HD2 LYS 92 HD2 LYS 92 -14.871 22.749 -5.680 691 HD3 LYS 92 HD3 LYS 92 -15.006 24.424 -6.214 692 HE2 LYS 92 HE2 LYS 92 -12.293 23.367 -6.511 693 HE3 LYS 92 HE3 LYS 92 -13.480 22.452 -7.440 694 HZ1 LYS 92 HZ1 LYS 92 -14.207 24.494 -8.479 695 HZ2 LYS 92 HZ2 LYS 92 -13.166 25.425 -7.465 696 HZ3 LYS 92 HZ3 LYS 92 -12.634 24.353 -8.709 697 H GLN 93 H GLN 93 -16.242 23.746 -1.549 698 HA GLN 93 HA GLN 93 -17.939 25.714 -0.984 699 HB2 GLN 93 HB2 GLN 93 -17.510 23.068 0.122 700 HB3 GLN 93 HB3 GLN 93 -18.176 24.161 1.335 701 HG2 GLN 93 HG2 GLN 93 -19.987 24.790 -0.195 702 HG3 GLN 93 HG3 GLN 93 -19.307 23.757 -1.451 703 HE21 GLN 93 HE21 GLN 93 -18.568 21.812 0.908 704 HE22 GLN 93 HE22 GLN 93 -20.024 20.981 1.174 705 H ALA 94 H ALA 94 -15.035 25.049 0.840 706 HA ALA 94 HA ALA 94 -15.590 26.596 3.136 707 HB1 ALA 94 HB1 ALA 94 -13.734 25.087 3.197 708 HB2 ALA 94 HB2 ALA 94 -13.064 26.714 3.315 709 HB3 ALA 94 HB3 ALA 94 -12.994 25.840 1.784 710 H ILE 95 H ILE 95 -13.628 27.441 0.270 711 HA ILE 95 HA ILE 95 -13.337 30.170 0.957 712 HB ILE 95 HB ILE 95 -13.304 29.127 -1.870 713 HG12 ILE 95 HG12 ILE 95 -12.062 27.680 -0.048 714 HG13 ILE 95 HG13 ILE 95 -11.238 28.092 -1.552 715 HG21 ILE 95 HG21 ILE 95 -11.125 30.761 -1.420 716 HG22 ILE 95 HG22 ILE 95 -12.364 31.491 -0.399 717 HG23 ILE 95 HG23 ILE 95 -12.654 31.285 -2.126 718 HD11 ILE 95 HD11 ILE 95 -10.759 29.093 1.210 719 HD12 ILE 95 HD12 ILE 95 -10.591 30.267 -0.096 720 HD13 ILE 95 HD13 ILE 95 -9.610 28.801 -0.096 721 H HIS 96 H HIS 96 -15.906 28.388 -0.524 722 HA HIS 96 HA HIS 96 -17.192 30.444 -1.957 723 HB2 HIS 96 HB2 HIS 96 -17.711 27.744 -1.302 724 HB3 HIS 96 HB3 HIS 96 -19.109 28.669 -0.752 725 HD1 HIS 96 HD1 HIS 96 -20.397 27.496 -2.807 726 HD2 HIS 96 HD2 HIS 96 -17.400 30.194 -3.865 727 HE1 HIS 96 HE1 HIS 96 -20.771 28.061 -5.247 728 HE2 HIS 96 HE2 HIS 96 -18.951 29.705 -5.907 729 H HIS 97 H HIS 97 -18.335 29.098 1.141 730 HA HIS 97 HA HIS 97 -20.065 31.132 1.831 731 HB2 HIS 97 HB2 HIS 97 -19.701 28.917 3.027 732 HB3 HIS 97 HB3 HIS 97 -18.337 29.682 3.842 733 HD1 HIS 97 HD1 HIS 97 -22.090 29.813 3.586 734 HD2 HIS 97 HD2 HIS 97 -19.048 31.614 5.795 735 HE1 HIS 97 HE1 HIS 97 -23.222 31.077 5.466 736 HE2 HIS 97 HE2 HIS 97 -21.381 32.181 6.822 737 H ALA 98 H ALA 98 -16.582 30.914 2.467 738 HA ALA 98 HA ALA 98 -16.315 33.207 4.059 739 HB1 ALA 98 HB1 ALA 98 -13.952 33.152 2.714 740 HB2 ALA 98 HB2 ALA 98 -14.524 31.506 2.437 741 HB3 ALA 98 HB3 ALA 98 -14.327 32.107 4.084 742 H ASN 99 H ASN 99 -16.068 32.823 0.529 743 HA ASN 99 HA ASN 99 -16.043 35.756 0.250 744 HB2 ASN 99 HB2 ASN 99 -14.600 33.740 -1.042 745 HB3 ASN 99 HB3 ASN 99 -15.796 34.261 -2.227 746 HD21 ASN 99 HD21 ASN 99 -13.545 35.773 0.167 747 HD22 ASN 99 HD22 ASN 99 -13.101 37.055 -0.853 748 H HIS 100 H HIS 100 -18.342 35.820 0.838 749 HA HIS 100 HA HIS 100 -20.182 34.756 -1.185 750 HB2 HIS 100 HB2 HIS 100 -20.364 35.076 1.585 751 HB3 HIS 100 HB3 HIS 100 -21.410 36.332 0.923 752 HD1 HIS 100 HD1 HIS 100 -20.750 32.628 0.221 753 HD2 HIS 100 HD2 HIS 100 -23.914 35.340 0.354 754 HE1 HIS 100 HE1 HIS 100 -22.851 31.304 -0.278 755 HE2 HIS 100 HE2 HIS 100 -24.789 32.943 -0.200 756 HA PRO 101 HA PRO 101 -19.707 39.423 -1.966 757 HB2 PRO 101 HB2 PRO 101 -17.979 39.400 -4.088 758 HB3 PRO 101 HB3 PRO 101 -17.436 39.510 -2.403 759 HG2 PRO 101 HG2 PRO 101 -17.491 37.163 -4.234 760 HG3 PRO 101 HG3 PRO 101 -16.277 37.630 -3.033 761 HD2 PRO 101 HD2 PRO 101 -18.191 35.681 -2.611 762 HD3 PRO 101 HD3 PRO 101 -17.417 36.605 -1.307 763 H LYS 102 H LYS 102 -21.015 36.780 -3.233 764 HA LYS 102 HA LYS 102 -21.998 36.279 -5.356 765 HB2 LYS 102 HB3 LYS 102 -24.113 36.741 -4.694 766 HB3 LYS 102 HB2 LYS 102 -23.432 37.775 -3.408 767 HG2 LYS 102 HG2 LYS 102 -24.300 38.377 -6.296 768 HG3 LYS 102 HG3 LYS 102 -25.121 38.900 -4.826 769 HD2 LYS 102 HD2 LYS 102 -22.369 39.714 -4.693 770 HD3 LYS 102 HD3 LYS 102 -23.049 40.248 -6.230 771 HE2 LYS 102 HE3 LYS 102 -23.551 41.319 -3.598 772 HE3 LYS 102 HE2 LYS 102 -24.092 41.936 -5.185 773 HZ1 LYS 102 HZ1 LYS 102 -26.079 40.859 -4.756 774 HZ2 LYS 102 HZ2 LYS 102 -25.603 41.117 -3.146 775 HZ3 LYS 102 HZ3 LYS 102 -25.358 39.601 -3.872 776 H GLU 103 HN GLU 103 -23.534 37.900 -6.976 777 HA GLU 103 HA GLU 103 -22.363 38.659 -9.107 778 HB2 GLU 103 HB1 GLU 103 -23.558 40.900 -9.138 779 HB3 GLU 103 HB2 GLU 103 -24.587 39.500 -8.726 780 HG2 GLU 103 HG2 GLU 103 -24.285 41.981 -7.460 781 HG3 GLU 103 HG1 GLU 103 -24.913 40.533 -6.676 782 H ASN 9 H ASN 9 -5.220 38.522 -1.295 783 HA ASN 9 HA ASN 9 -5.178 36.325 -1.166 784 HB2 ASN 9 HB2 ASN 9 -2.171 36.719 -1.220 785 HB3 ASN 9 HB3 ASN 9 -3.028 35.244 -1.662 786 HD21 ASN 9 HD21 ASN 9 -4.584 35.457 -3.566 787 HD22 ASN 9 HD22 ASN 9 -4.209 36.581 -4.782 788 H THR 10 H THR 10 -2.216 37.016 0.701 789 HA THR 10 HA THR 10 -2.396 35.040 2.582 790 HB THR 10 HB THR 10 -1.105 36.507 4.084 791 HG1 THR 10 HG1 THR 10 -0.913 38.629 2.474 792 HG21 THR 10 HG21 THR 10 -0.440 35.721 1.466 793 HG22 THR 10 HG22 THR 10 0.682 36.146 2.760 794 HG23 THR 10 HG23 THR 10 0.146 37.378 1.617 795 H ASP 11 H ASP 11 -4.264 37.994 2.406 796 HA ASP 11 HA ASP 11 -5.289 38.090 5.011 797 HB2 ASP 11 HB2 ASP 11 -5.971 39.221 2.400 798 HB3 ASP 11 HB3 ASP 11 -7.381 38.945 3.420 799 H THR 12 H THR 12 -6.755 36.612 2.108 800 HA THR 12 HA THR 12 -8.959 35.454 3.393 801 HB THR 12 HB THR 12 -9.099 33.983 1.430 802 HG1 THR 12 HG1 THR 12 -7.001 34.943 0.078 803 HG21 THR 12 HG21 THR 12 -8.121 36.706 0.547 804 HG22 THR 12 HG22 THR 12 -9.676 36.472 1.345 805 HG23 THR 12 HG23 THR 12 -9.358 35.703 -0.210 806 H LEU 13 H LEU 13 -5.806 33.999 2.571 807 HA LEU 13 HA LEU 13 -6.137 31.450 3.512 808 HB2 LEU 13 HB2 LEU 13 -3.985 32.963 2.701 809 HB3 LEU 13 HB3 LEU 13 -3.595 32.625 4.387 810 HG LEU 13 HG LEU 13 -3.445 30.350 4.040 811 HD11 LEU 13 HD11 LEU 13 -5.229 30.583 1.602 812 HD12 LEU 13 HD12 LEU 13 -5.834 30.256 3.226 813 HD13 LEU 13 HD13 LEU 13 -4.757 29.104 2.438 814 HD21 LEU 13 HD21 LEU 13 -2.852 31.688 1.401 815 HD22 LEU 13 HD22 LEU 13 -2.586 29.959 1.627 816 HD23 LEU 13 HD23 LEU 13 -1.715 31.123 2.626 817 H GLU 14 H GLU 14 -5.217 34.299 5.442 818 HA GLU 14 HA GLU 14 -4.967 33.024 7.921 819 HB2 GLU 14 HB2 GLU 14 -4.516 35.516 7.144 820 HB3 GLU 14 HB3 GLU 14 -6.140 35.771 7.783 821 HG2 GLU 14 HG2 GLU 14 -5.519 35.119 9.957 822 HG3 GLU 14 HG3 GLU 14 -4.076 34.278 9.392 823 H ARG 15 H ARG 15 -7.813 34.331 6.276 824 HA ARG 15 HA ARG 15 -9.632 34.021 8.425 825 HB2 ARG 15 HB2 ARG 15 -9.749 34.678 5.589 826 HB3 ARG 15 HB3 ARG 15 -11.117 33.686 6.095 827 HG2 ARG 15 HG2 ARG 15 -11.285 35.311 8.108 828 HG3 ARG 15 HG3 ARG 15 -10.255 36.377 7.152 829 HD2 ARG 15 HD2 ARG 15 -12.455 35.258 5.587 830 HD3 ARG 15 HD3 ARG 15 -13.024 36.192 6.968 831 HE ARG 15 HE ARG 15 -11.599 37.220 4.651 832 HH11 ARG 15 HH21 ARG 15 -12.619 37.677 7.926 833 HH12 ARG 15 HH22 ARG 15 -12.502 39.404 7.868 834 HH21 ARG 15 HH11 ARG 15 -11.444 39.485 4.566 835 HH22 ARG 15 HH12 ARG 15 -11.837 40.428 5.965 836 H VAL 16 H VAL 16 -9.700 32.106 5.425 837 HA VAL 16 HA VAL 16 -11.214 30.029 5.938 838 HB VAL 16 HB VAL 16 -8.569 28.979 5.230 839 HG11 VAL 16 HG11 VAL 16 -10.345 28.988 3.045 840 HG12 VAL 16 HG12 VAL 16 -11.359 28.774 4.472 841 HG13 VAL 16 HG13 VAL 16 -10.038 27.651 4.153 842 HG21 VAL 16 HG21 VAL 16 -9.736 31.163 3.489 843 HG22 VAL 16 HG22 VAL 16 -8.201 30.321 3.279 844 HG23 VAL 16 HG23 VAL 16 -8.411 31.450 4.618 845 H THR 17 H THR 17 -8.383 30.783 7.796 846 HA THR 17 HA THR 17 -8.304 28.232 9.170 847 HB THR 17 HB THR 17 -6.876 30.195 10.630 848 HG1 THR 17 HG1 THR 17 -5.568 30.937 8.818 849 HG21 THR 17 HG21 THR 17 -6.187 27.872 10.323 850 HG22 THR 17 HG22 THR 17 -4.923 28.939 9.711 851 HG23 THR 17 HG23 THR 17 -6.011 28.126 8.587 852 H GLU 18 H GLU 18 -9.422 31.524 9.837 853 HA GLU 18 HA GLU 18 -10.117 31.120 12.548 854 HB2 GLU 18 HB2 GLU 18 -10.185 33.246 10.734 855 HB3 GLU 18 HB3 GLU 18 -11.870 32.992 11.186 856 HG2 GLU 18 HG2 GLU 18 -11.166 33.000 13.592 857 HG3 GLU 18 HG3 GLU 18 -9.534 33.414 13.072 858 H ILE 19 H ILE 19 -11.690 30.289 9.558 859 HA ILE 19 HA ILE 19 -14.343 30.022 10.436 860 HB ILE 19 HB ILE 19 -13.056 28.165 8.440 861 HG12 ILE 19 HG12 ILE 19 -13.559 31.121 8.278 862 HG13 ILE 19 HG13 ILE 19 -12.210 30.183 7.635 863 HG21 ILE 19 HG21 ILE 19 -15.363 27.683 8.816 864 HG22 ILE 19 HG22 ILE 19 -15.318 28.630 7.329 865 HG23 ILE 19 HG23 ILE 19 -15.790 29.393 8.847 866 HD11 ILE 19 HD11 ILE 19 -15.059 30.152 6.591 867 HD12 ILE 19 HD12 ILE 19 -13.739 29.162 5.967 868 HD13 ILE 19 HD13 ILE 19 -13.678 30.918 5.806 869 H PHE 20 H PHE 20 -11.995 27.370 9.961 870 HA PHE 20 HA PHE 20 -13.401 25.351 11.210 871 HB2 PHE 20 HB2 PHE 20 -10.404 25.779 11.303 872 HB3 PHE 20 HB3 PHE 20 -11.242 24.250 11.569 873 HD1 PHE 20 HD1 PHE 20 -12.840 23.454 9.658 874 HD2 PHE 20 HD2 PHE 20 -9.736 26.377 9.137 875 HE1 PHE 20 HE1 PHE 20 -12.861 23.041 7.213 876 HE2 PHE 20 HE2 PHE 20 -9.757 25.963 6.692 877 HZ PHE 20 HZ PHE 20 -11.320 24.295 5.730 878 H LYS 21 H LYS 21 -10.621 26.861 12.836 879 HA LYS 21 HA LYS 21 -10.980 26.099 15.382 880 HB2 LYS 21 HB2 LYS 21 -9.758 28.366 14.107 881 HB3 LYS 21 HB3 LYS 21 -10.519 28.882 15.612 882 HG2 LYS 21 HG2 LYS 21 -9.198 27.479 16.919 883 HG3 LYS 21 HG3 LYS 21 -8.894 26.360 15.590 884 HD2 LYS 21 HD2 LYS 21 -6.911 27.803 16.236 885 HD3 LYS 21 HD3 LYS 21 -7.375 27.904 14.537 886 HE2 LYS 21 HE2 LYS 21 -7.892 30.096 14.717 887 HE3 LYS 21 HE3 LYS 21 -8.830 29.825 16.186 888 HZ1 LYS 21 HZ1 LYS 21 -5.973 30.434 15.890 889 HZ2 LYS 21 HZ2 LYS 21 -6.486 29.527 17.232 890 HZ3 LYS 21 HZ3 LYS 21 -7.108 31.086 16.972 891 H ALA 22 H ALA 22 -13.120 28.160 13.605 892 HA ALA 22 HA ALA 22 -14.498 29.295 15.837 893 HB1 ALA 22 HB1 ALA 22 -16.210 29.092 13.555 894 HB2 ALA 22 HB2 ALA 22 -14.589 29.510 13.001 895 HB3 ALA 22 HB3 ALA 22 -15.401 30.522 14.195 896 H LEU 23 H LEU 23 -14.294 26.162 14.792 897 HA LEU 23 HA LEU 23 -17.008 25.510 15.771 898 HB2 LEU 23 HB2 LEU 23 -15.219 23.821 14.006 899 HB3 LEU 23 HB3 LEU 23 -16.890 23.477 14.456 900 HG LEU 23 HG LEU 23 -16.304 26.106 13.158 901 HD11 LEU 23 HD11 LEU 23 -15.437 25.164 11.304 902 HD12 LEU 23 HD12 LEU 23 -16.969 24.319 11.082 903 HD13 LEU 23 HD13 LEU 23 -15.655 23.546 11.970 904 HD21 LEU 23 HD21 LEU 23 -18.545 24.993 12.025 905 HD22 LEU 23 HD22 LEU 23 -18.559 26.032 13.450 906 HD23 LEU 23 HD23 LEU 23 -18.568 24.278 13.637 907 H GLY 24 H GLY 24 -13.728 25.411 16.511 908 HA2 GLY 24 HA2 GLY 24 -12.813 23.277 17.650 909 HA3 GLY 24 HA3 GLY 24 -12.965 24.708 18.665 910 H ASP 25 H ASP 25 -13.874 24.267 20.563 911 HA ASP 25 HA ASP 25 -14.852 22.267 21.809 912 HB2 ASP 25 HB2 ASP 25 -16.591 24.722 21.459 913 HB3 ASP 25 HB3 ASP 25 -16.761 23.534 22.750 914 H TYR 26 H TYR 26 -16.365 20.671 21.768 915 HA TYR 26 HA TYR 26 -17.759 20.239 19.265 916 HB2 TYR 26 HB2 TYR 26 -18.569 18.160 20.666 917 HB3 TYR 26 HB3 TYR 26 -16.911 18.237 20.072 918 HD1 TYR 26 HD1 TYR 26 -17.364 20.732 22.514 919 HD2 TYR 26 HD2 TYR 26 -16.767 16.499 22.097 920 HE1 TYR 26 HE1 TYR 26 -16.523 20.622 24.844 921 HE2 TYR 26 HE2 TYR 26 -15.927 16.388 24.428 922 HH TYR 26 HH TYR 26 -15.729 19.323 26.451 923 H ASN 27 H ASN 27 -18.505 21.355 22.472 924 HA ASN 27 HA ASN 27 -21.182 20.843 22.776 925 HB2 ASN 27 HB2 ASN 27 -19.403 22.406 24.088 926 HB3 ASN 27 HB3 ASN 27 -20.394 23.645 23.320 927 HD21 ASN 27 HD21 ASN 27 -21.430 24.276 25.335 928 HD22 ASN 27 HD22 ASN 27 -22.538 23.258 26.121 929 H ARG 28 H ARG 28 -19.683 23.322 20.739 930 HA ARG 28 HA ARG 28 -22.173 24.475 19.902 931 HB2 ARG 28 HB2 ARG 28 -19.317 24.708 18.981 932 HB3 ARG 28 HB3 ARG 28 -20.628 25.445 18.060 933 HG2 ARG 28 HG2 ARG 28 -21.263 26.838 19.883 934 HG3 ARG 28 HG3 ARG 28 -20.303 25.904 21.030 935 HD2 ARG 28 HD2 ARG 28 -18.375 26.629 19.256 936 HD3 ARG 28 HD3 ARG 28 -19.456 28.014 19.129 937 HE ARG 28 HE ARG 28 -18.895 27.292 21.859 938 HH11 ARG 28 HH21 ARG 28 -17.779 28.974 19.048 939 HH12 ARG 28 HH22 ARG 28 -16.806 30.098 19.937 940 HH21 ARG 28 HH11 ARG 28 -17.621 28.762 23.032 941 HH22 ARG 28 HH12 ARG 28 -16.716 29.977 22.193 942 H ILE 29 H ILE 29 -19.859 22.199 18.451 943 HA ILE 29 HA ILE 29 -20.917 21.855 15.944 944 HB ILE 29 HB ILE 29 -19.830 19.743 17.821 945 HG12 ILE 29 HG12 ILE 29 -18.641 21.585 15.745 946 HG13 ILE 29 HG13 ILE 29 -18.137 21.349 17.419 947 HG21 ILE 29 HG21 ILE 29 -19.428 19.161 15.043 948 HG22 ILE 29 HG22 ILE 29 -21.148 19.444 15.311 949 HG23 ILE 29 HG23 ILE 29 -20.302 18.210 16.243 950 HD11 ILE 29 HD11 ILE 29 -17.669 18.896 16.703 951 HD12 ILE 29 HD12 ILE 29 -16.528 20.140 16.190 952 HD13 ILE 29 HD13 ILE 29 -17.729 19.522 15.055 953 H ARG 30 H ARG 30 -22.190 20.688 19.001 954 HA ARG 30 HA ARG 30 -24.164 18.958 17.844 955 HB2 ARG 30 HB2 ARG 30 -23.231 19.626 20.468 956 HB3 ARG 30 HB3 ARG 30 -24.984 19.813 20.428 957 HG2 ARG 30 HG2 ARG 30 -25.282 17.561 19.629 958 HG3 ARG 30 HG3 ARG 30 -23.549 17.368 19.359 959 HD2 ARG 30 HD2 ARG 30 -23.089 17.103 21.604 960 HD3 ARG 30 HD3 ARG 30 -24.446 18.107 22.109 961 HE ARG 30 HE ARG 30 -25.155 15.558 20.887 962 HH11 ARG 30 HH21 ARG 30 -24.526 17.401 23.748 963 HH12 ARG 30 HH22 ARG 30 -25.402 16.334 24.794 964 HH21 ARG 30 HH11 ARG 30 -26.305 14.155 22.253 965 HH22 ARG 30 HH12 ARG 30 -26.409 14.496 23.948 966 H ILE 31 H ILE 31 -24.211 22.246 19.196 967 HA ILE 31 HA ILE 31 -26.943 22.760 18.985 968 HB ILE 31 HB ILE 31 -24.643 24.689 18.578 969 HG12 ILE 31 HG12 ILE 31 -26.228 24.028 21.078 970 HG13 ILE 31 HG13 ILE 31 -24.624 23.385 20.726 971 HG21 ILE 31 HG21 ILE 31 -26.473 26.297 19.480 972 HG22 ILE 31 HG22 ILE 31 -26.622 25.745 17.781 973 HG23 ILE 31 HG23 ILE 31 -27.587 25.111 19.152 974 HD11 ILE 31 HD11 ILE 31 -23.809 25.766 20.517 975 HD12 ILE 31 HD12 ILE 31 -24.338 25.324 22.140 976 HD13 ILE 31 HD13 ILE 31 -25.386 26.294 21.105 977 H MET 32 H MET 32 -24.396 22.929 16.551 978 HA MET 32 HA MET 32 -25.956 24.189 14.532 979 HB2 MET 32 HB2 MET 32 -23.296 23.139 14.808 980 HB3 MET 32 HB3 MET 32 -24.007 22.539 13.309 981 HG2 MET 32 HG2 MET 32 -24.063 24.610 12.360 982 HG3 MET 32 HG3 MET 32 -24.522 25.395 13.871 983 HE1 MET 32 HE1 MET 32 -22.748 25.800 11.422 984 HE2 MET 32 HE2 MET 32 -21.191 24.975 11.475 985 HE3 MET 32 HE3 MET 32 -21.307 26.667 11.956 986 H GLU 33 H GLU 33 -25.216 20.793 15.267 987 HA GLU 33 HA GLU 33 -26.502 19.626 13.063 988 HB2 GLU 33 HB2 GLU 33 -25.022 18.604 15.007 989 HB3 GLU 33 HB3 GLU 33 -26.597 18.277 15.729 990 HG2 GLU 33 HG2 GLU 33 -27.297 17.131 13.644 991 HG3 GLU 33 HG3 GLU 33 -25.699 17.425 12.960 992 H LEU 34 H LEU 34 -27.762 20.973 16.022 993 HA LEU 34 HA LEU 34 -30.360 19.764 15.829 994 HB2 LEU 34 HB2 LEU 34 -29.588 20.500 17.993 995 HB3 LEU 34 HB3 LEU 34 -29.333 22.140 17.396 996 HG LEU 34 HG LEU 34 -31.538 22.669 17.564 997 HD11 LEU 34 HD11 LEU 34 -31.818 20.045 16.221 998 HD12 LEU 34 HD12 LEU 34 -32.610 21.580 15.867 999 HD13 LEU 34 HD13 LEU 34 -33.213 20.557 17.170 1000 HD21 LEU 34 HD21 LEU 34 -31.563 21.916 19.768 1001 HD22 LEU 34 HD22 LEU 34 -32.775 20.787 19.082 1002 HD23 LEU 34 HD23 LEU 34 -31.056 20.382 19.388 1003 H LEU 35 H LEU 35 -28.933 22.851 14.858 1004 HA LEU 35 HA LEU 35 -31.392 24.024 13.991 1005 HB2 LEU 35 HB2 LEU 35 -28.547 24.700 13.200 1006 HB3 LEU 35 HB3 LEU 35 -29.963 25.721 12.950 1007 HG LEU 35 HG LEU 35 -29.057 24.747 15.673 1008 HD11 LEU 35 HD11 LEU 35 -28.472 27.311 15.823 1009 HD12 LEU 35 HD12 LEU 35 -28.349 27.185 14.068 1010 HD13 LEU 35 HD13 LEU 35 -27.317 26.192 15.098 1011 HD21 LEU 35 HD21 LEU 35 -31.505 25.611 14.969 1012 HD22 LEU 35 HD22 LEU 35 -30.730 27.173 15.232 1013 HD23 LEU 35 HD23 LEU 35 -30.791 25.988 16.537 1014 H SER 36 H SER 36 -28.870 22.111 12.445 1015 HA SER 36 HA SER 36 -29.574 22.490 9.763 1016 HB2 SER 36 HB2 SER 36 -27.929 20.998 9.421 1017 HB3 SER 36 HB3 SER 36 -27.763 20.899 11.174 1018 HG SER 36 HG SER 36 -28.328 18.932 9.719 1019 H VAL 37 H VAL 37 -30.720 20.053 12.092 1020 HA VAL 37 HA VAL 37 -32.480 18.733 10.311 1021 HB VAL 37 HB VAL 37 -32.845 18.951 13.302 1022 HG11 VAL 37 HG11 VAL 37 -34.636 17.819 12.066 1023 HG12 VAL 37 HG12 VAL 37 -33.709 16.640 12.995 1024 HG13 VAL 37 HG13 VAL 37 -33.451 16.793 11.257 1025 HG21 VAL 37 HG21 VAL 37 -31.325 16.984 13.438 1026 HG22 VAL 37 HG22 VAL 37 -30.493 18.425 12.855 1027 HG23 VAL 37 HG23 VAL 37 -30.972 17.163 11.720 1028 H SER 38 H SER 38 -32.954 21.398 12.604 1029 HA SER 38 HA SER 38 -35.069 22.533 11.074 1030 HB2 SER 38 HB2 SER 38 -36.469 20.795 11.914 1031 HB3 SER 38 HB3 SER 38 -35.806 20.953 13.541 1032 HG SER 38 HG SER 38 -37.773 22.016 13.443 1033 H GLU 39 H GLU 39 -35.393 24.631 11.647 1034 HA GLU 39 HA GLU 39 -33.560 25.957 13.276 1035 HB2 GLU 39 HB2 GLU 39 -35.697 27.664 13.276 1036 HB3 GLU 39 HB3 GLU 39 -34.532 27.524 11.959 1037 HG2 GLU 39 HG2 GLU 39 -36.079 25.576 11.144 1038 HG3 GLU 39 HG3 GLU 39 -37.286 26.334 12.181 1039 H ALA 40 H ALA 40 -34.092 27.291 15.221 1040 HA ALA 40 HA ALA 40 -36.216 26.354 16.947 1041 HB1 ALA 40 HB1 ALA 40 -35.063 24.984 18.319 1042 HB2 ALA 40 HB2 ALA 40 -33.661 26.054 18.342 1043 HB3 ALA 40 HB3 ALA 40 -33.867 24.899 17.026 1044 H SER 41 H SER 41 -36.480 27.657 18.811 1045 HA SER 41 HA SER 41 -35.417 30.340 18.491 1046 HB2 SER 41 HB2 SER 41 -37.019 29.816 20.886 1047 HB3 SER 41 HB3 SER 41 -37.272 30.992 19.597 1048 HG SER 41 HG SER 41 -38.914 29.527 19.455 1049 H VAL 42 H VAL 42 -35.089 31.404 20.870 1050 HA VAL 42 HA VAL 42 -32.576 30.401 21.756 1051 HB VAL 42 HB VAL 42 -34.434 32.573 22.686 1052 HG11 VAL 42 HG11 VAL 42 -31.780 32.136 24.013 1053 HG12 VAL 42 HG12 VAL 42 -33.178 31.227 24.588 1054 HG13 VAL 42 HG13 VAL 42 -33.202 32.990 24.613 1055 HG21 VAL 42 HG21 VAL 42 -32.429 33.948 22.088 1056 HG22 VAL 42 HG22 VAL 42 -31.560 32.438 21.665 1057 HG23 VAL 42 HG23 VAL 42 -32.978 33.086 20.781 1058 H GLY 43 H GLY 43 -35.732 30.638 23.414 1059 HA2 GLY 43 HA2 GLY 43 -34.961 29.179 25.708 1060 HA3 GLY 43 HA3 GLY 43 -36.617 29.450 25.175 1061 H HIS 44 H HIS 44 -36.406 28.192 22.632 1062 HA HIS 44 HA HIS 44 -37.083 25.561 23.230 1063 HB2 HIS 44 HB2 HIS 44 -36.289 27.009 20.742 1064 HB3 HIS 44 HB3 HIS 44 -36.344 25.247 20.695 1065 HD1 HIS 44 HD1 HIS 44 -38.572 28.172 21.705 1066 HD2 HIS 44 HD2 HIS 44 -38.904 24.227 20.399 1067 HE1 HIS 44 HE1 HIS 44 -41.043 27.739 21.356 1068 HE2 HIS 44 HE2 HIS 44 -41.262 25.337 20.560 1069 H ILE 45 H ILE 45 -33.958 26.913 22.237 1070 HA ILE 45 HA ILE 45 -32.547 24.504 21.958 1071 HB ILE 45 HB ILE 45 -31.923 27.333 22.135 1072 HG12 ILE 45 HG12 ILE 45 -30.300 25.032 21.018 1073 HG13 ILE 45 HG13 ILE 45 -31.682 25.734 20.177 1074 HG21 ILE 45 HG21 ILE 45 -29.433 26.463 22.819 1075 HG22 ILE 45 HG22 ILE 45 -30.429 25.444 23.857 1076 HG23 ILE 45 HG23 ILE 45 -30.558 27.200 23.960 1077 HD11 ILE 45 HD11 ILE 45 -29.960 27.003 19.274 1078 HD12 ILE 45 HD12 ILE 45 -29.000 26.938 20.752 1079 HD13 ILE 45 HD13 ILE 45 -30.400 28.005 20.657 1080 H SER 46 H SER 46 -33.295 26.450 24.800 1081 HA SER 46 HA SER 46 -31.628 25.535 26.732 1082 HB2 SER 46 HB2 SER 46 -33.375 25.904 28.337 1083 HB3 SER 46 HB3 SER 46 -33.604 27.078 27.042 1084 HG SER 46 HG SER 46 -35.498 25.800 27.795 1085 H HIS 47 H HIS 47 -34.234 23.729 25.206 1086 HA HIS 47 HA HIS 47 -34.239 21.515 26.975 1087 HB2 HIS 47 HB2 HIS 47 -35.462 22.236 24.446 1088 HB3 HIS 47 HB3 HIS 47 -34.947 20.549 24.445 1089 HD1 HIS 47 HD1 HIS 47 -36.145 22.459 27.491 1090 HD2 HIS 47 HD2 HIS 47 -37.425 19.365 25.007 1091 HE1 HIS 47 HE1 HIS 47 -38.210 21.475 28.578 1092 HE2 HIS 47 HE2 HIS 47 -39.003 19.587 27.076 1093 H GLN 48 H GLN 48 -32.233 22.401 24.252 1094 HA GLN 48 HA GLN 48 -31.091 19.861 23.735 1095 HB2 GLN 48 HB2 GLN 48 -30.411 22.690 23.103 1096 HB3 GLN 48 HB3 GLN 48 -29.118 21.498 22.967 1097 HG2 GLN 48 HG2 GLN 48 -31.515 21.869 21.296 1098 HG3 GLN 48 HG3 GLN 48 -29.974 21.111 20.899 1099 HE21 GLN 48 HE21 GLN 48 -30.775 19.127 20.034 1100 HE22 GLN 48 HE22 GLN 48 -31.679 18.018 20.948 1101 H LEU 49 H LEU 49 -29.245 22.584 25.070 1102 HA LEU 49 HA LEU 49 -27.704 20.692 26.688 1103 HB2 LEU 49 HB2 LEU 49 -27.239 23.663 26.378 1104 HB3 LEU 49 HB3 LEU 49 -26.090 22.439 26.919 1105 HG LEU 49 HG LEU 49 -27.365 22.326 24.182 1106 HD11 LEU 49 HD11 LEU 49 -24.708 23.189 23.910 1107 HD12 LEU 49 HD12 LEU 49 -25.389 24.206 25.180 1108 HD13 LEU 49 HD13 LEU 49 -26.160 24.140 23.595 1109 HD21 LEU 49 HD21 LEU 49 -25.936 20.467 25.560 1110 HD22 LEU 49 HD22 LEU 49 -24.631 21.330 24.746 1111 HD23 LEU 49 HD23 LEU 49 -25.924 20.593 23.801 1112 H ASN 50 H ASN 50 -30.174 23.076 27.008 1113 HA ASN 50 HA ASN 50 -31.287 23.944 28.821 1114 HB2 ASN 50 HB2 ASN 50 -31.638 21.498 29.202 1115 HB3 ASN 50 HB3 ASN 50 -30.207 21.492 30.230 1116 HD21 ASN 50 HD21 ASN 50 -33.520 21.662 30.416 1117 HD22 ASN 50 HD22 ASN 50 -33.674 22.531 31.867 1118 H LEU 51 H LEU 51 -30.823 25.556 30.188 1119 HA LEU 51 HA LEU 51 -29.067 25.630 32.286 1120 HB2 LEU 51 HB2 LEU 51 -27.703 26.169 29.665 1121 HB3 LEU 51 HB3 LEU 51 -27.165 26.997 31.127 1122 HG LEU 51 HG LEU 51 -27.607 24.100 31.465 1123 HD11 LEU 51 HD11 LEU 51 -26.472 23.441 29.628 1124 HD12 LEU 51 HD12 LEU 51 -25.044 24.185 30.347 1125 HD13 LEU 51 HD13 LEU 51 -26.044 25.103 29.221 1126 HD21 LEU 51 HD21 LEU 51 -26.598 25.541 33.189 1127 HD22 LEU 51 HD22 LEU 51 -25.307 25.984 32.073 1128 HD23 LEU 51 HD23 LEU 51 -25.443 24.323 32.649 1129 H SER 52 H SER 52 -27.861 28.260 30.973 1130 HA SER 52 HA SER 52 -30.193 29.913 31.708 1131 HB2 SER 52 HB2 SER 52 -27.293 30.136 32.159 1132 HB3 SER 52 HB3 SER 52 -28.064 31.633 31.635 1133 HG SER 52 HG SER 52 -29.680 31.114 33.310 1134 H GLN 53 H GLN 53 -31.245 30.870 30.101 1135 HA GLN 53 HA GLN 53 -30.672 30.751 27.419 1136 HB2 GLN 53 HB2 GLN 53 -31.948 33.236 28.511 1137 HB3 GLN 53 HB3 GLN 53 -32.389 32.285 27.093 1138 HG2 GLN 53 HG2 GLN 53 -33.320 30.539 28.441 1139 HG3 GLN 53 HG3 GLN 53 -32.622 31.214 29.912 1140 HE21 GLN 53 HE21 GLN 53 -35.370 30.783 29.918 1141 HE22 GLN 53 HE22 GLN 53 -36.193 32.263 29.816 1142 H SER 54 H SER 54 -29.668 33.250 29.727 1143 HA SER 54 HA SER 54 -28.517 35.080 27.982 1144 HB2 SER 54 HB2 SER 54 -27.468 35.996 29.843 1145 HB3 SER 54 HB3 SER 54 -28.784 35.095 30.596 1146 HG SER 54 HG SER 54 -26.098 34.251 30.257 1147 H ASN 55 H ASN 55 -27.362 31.955 29.030 1148 HA ASN 55 HA ASN 55 -24.645 32.281 28.233 1149 HB2 ASN 55 HB2 ASN 55 -26.351 30.144 29.238 1150 HB3 ASN 55 HB3 ASN 55 -25.231 29.570 28.004 1151 HD21 ASN 55 HD21 ASN 55 -23.113 29.173 28.694 1152 HD22 ASN 55 HD22 ASN 55 -22.460 29.723 30.161 1153 H VAL 56 H VAL 56 -27.487 30.839 26.647 1154 HA VAL 56 HA VAL 56 -26.123 30.115 24.259 1155 HB VAL 56 HB VAL 56 -29.035 30.516 24.942 1156 HG11 VAL 56 HG11 VAL 56 -27.710 30.233 22.307 1157 HG12 VAL 56 HG12 VAL 56 -29.300 30.886 22.703 1158 HG13 VAL 56 HG13 VAL 56 -29.066 29.141 22.592 1159 HG21 VAL 56 HG21 VAL 56 -27.276 28.463 25.467 1160 HG22 VAL 56 HG22 VAL 56 -28.015 27.936 23.955 1161 HG23 VAL 56 HG23 VAL 56 -29.027 28.282 25.358 1162 H SER 57 H SER 57 -28.267 32.855 25.046 1163 HA SER 57 HA SER 57 -28.181 34.163 22.590 1164 HB2 SER 57 HB2 SER 57 -29.617 35.385 23.818 1165 HB3 SER 57 HB3 SER 57 -28.900 34.834 25.332 1166 HG SER 57 HG SER 57 -28.363 36.908 25.326 1167 H HIS 58 H HIS 58 -25.779 33.948 25.104 1168 HA HIS 58 HA HIS 58 -24.185 36.163 24.224 1169 HB2 HIS 58 HB2 HIS 58 -24.232 34.716 26.499 1170 HB3 HIS 58 HB3 HIS 58 -22.894 33.919 25.673 1171 HD1 HIS 58 HD1 HIS 58 -21.268 35.958 24.419 1172 HD2 HIS 58 HD2 HIS 58 -23.242 36.804 27.992 1173 HE1 HIS 58 HE1 HIS 58 -20.064 37.932 25.451 1174 HE2 HIS 58 HE2 HIS 58 -21.256 38.460 27.631 1175 H GLN 59 H GLN 59 -23.787 32.624 23.950 1176 HA GLN 59 HA GLN 59 -21.522 32.724 22.264 1177 HB2 GLN 59 HB2 GLN 59 -23.163 30.721 23.439 1178 HB3 GLN 59 HB3 GLN 59 -23.071 30.383 21.711 1179 HG2 GLN 59 HG2 GLN 59 -20.582 30.629 21.851 1180 HG3 GLN 59 HG3 GLN 59 -20.736 30.806 23.598 1181 HE21 GLN 59 HE21 GLN 59 -21.506 28.901 24.827 1182 HE22 GLN 59 HE22 GLN 59 -21.400 27.347 24.151 1183 H LEU 60 H LEU 60 -24.948 32.100 21.472 1184 HA LEU 60 HA LEU 60 -24.834 31.842 18.758 1185 HB2 LEU 60 HB2 LEU 60 -26.883 31.942 20.379 1186 HB3 LEU 60 HB3 LEU 60 -26.919 33.650 19.943 1187 HG LEU 60 HG LEU 60 -26.903 32.938 17.517 1188 HD11 LEU 60 HD11 LEU 60 -26.318 30.438 18.665 1189 HD12 LEU 60 HD12 LEU 60 -26.655 30.766 16.965 1190 HD13 LEU 60 HD13 LEU 60 -27.963 30.290 18.048 1191 HD21 LEU 60 HD21 LEU 60 -29.162 32.086 19.345 1192 HD22 LEU 60 HD22 LEU 60 -29.312 32.120 17.588 1193 HD23 LEU 60 HD23 LEU 60 -29.000 33.612 18.475 1194 H LYS 61 H LYS 61 -24.064 34.648 20.604 1195 HA LYS 61 HA LYS 61 -24.366 36.538 18.443 1196 HB2 LYS 61 HB2 LYS 61 -24.488 37.066 20.940 1197 HB3 LYS 61 HB3 LYS 61 -22.730 36.922 20.951 1198 HG2 LYS 61 HG2 LYS 61 -22.639 38.628 19.113 1199 HG3 LYS 61 HG3 LYS 61 -24.382 38.840 19.281 1200 HD2 LYS 61 HD2 LYS 61 -22.961 38.990 21.842 1201 HD3 LYS 61 HD3 LYS 61 -22.454 40.235 20.700 1202 HE2 LYS 61 HE2 LYS 61 -24.820 40.868 20.349 1203 HE3 LYS 61 HE3 LYS 61 -25.318 39.632 21.505 1204 HZ1 LYS 61 HZ1 LYS 61 -24.142 40.749 23.235 1205 HZ2 LYS 61 HZ2 LYS 61 -25.139 41.888 22.465 1206 HZ3 LYS 61 HZ3 LYS 61 -23.471 41.865 22.146 1207 H LEU 62 H LEU 62 -21.758 34.633 19.850 1208 HA LEU 62 HA LEU 62 -19.610 35.896 18.502 1209 HB2 LEU 62 HB2 LEU 62 -20.008 33.242 19.840 1210 HB3 LEU 62 HB3 LEU 62 -18.554 33.521 18.881 1211 HG LEU 62 HG LEU 62 -19.462 35.474 21.001 1212 HD11 LEU 62 HD11 LEU 62 -17.473 33.212 21.352 1213 HD12 LEU 62 HD12 LEU 62 -19.121 33.183 21.979 1214 HD13 LEU 62 HD13 LEU 62 -17.972 34.381 22.575 1215 HD21 LEU 62 HD21 LEU 62 -17.534 35.612 19.025 1216 HD22 LEU 62 HD22 LEU 62 -16.609 35.075 20.427 1217 HD23 LEU 62 HD23 LEU 62 -17.539 36.571 20.505 1218 H LEU 63 H LEU 63 -21.549 33.016 17.717 1219 HA LEU 63 HA LEU 63 -20.206 32.362 15.321 1220 HB2 LEU 63 HB2 LEU 63 -23.069 31.835 16.158 1221 HB3 LEU 63 HB3 LEU 63 -22.261 31.071 14.789 1222 HG LEU 63 HG LEU 63 -20.659 30.894 17.217 1223 HD11 LEU 63 HD11 LEU 63 -23.457 29.726 17.224 1224 HD12 LEU 63 HD12 LEU 63 -22.779 30.860 18.392 1225 HD13 LEU 63 HD13 LEU 63 -22.171 29.206 18.314 1226 HD21 LEU 63 HD21 LEU 63 -20.328 29.557 15.161 1227 HD22 LEU 63 HD22 LEU 63 -21.910 28.814 15.396 1228 HD23 LEU 63 HD23 LEU 63 -20.616 28.519 16.557 1229 H LYS 64 H LYS 64 -22.401 34.883 16.096 1230 HA LYS 64 HA LYS 64 -23.383 35.297 13.412 1231 HB2 LYS 64 HB2 LYS 64 -24.609 35.954 15.531 1232 HB3 LYS 64 HB3 LYS 64 -23.435 37.257 15.713 1233 HG2 LYS 64 HG2 LYS 64 -24.071 38.183 13.545 1234 HG3 LYS 64 HG3 LYS 64 -25.169 36.832 13.260 1235 HD2 LYS 64 HD2 LYS 64 -26.521 37.498 15.200 1236 HD3 LYS 64 HD3 LYS 64 -25.406 38.823 15.538 1237 HE2 LYS 64 HE2 LYS 64 -26.212 38.964 12.783 1238 HE3 LYS 64 HE3 LYS 64 -27.652 38.844 13.794 1239 HZ1 LYS 64 HZ1 LYS 64 -27.261 40.827 14.748 1240 HZ2 LYS 64 HZ2 LYS 64 -26.382 41.126 13.326 1241 HZ3 LYS 64 HZ3 LYS 64 -25.574 40.640 14.738 1242 H SER 65 H SER 65 -20.597 36.202 15.225 1243 HA SER 65 HA SER 65 -19.940 38.565 13.737 1244 HB2 SER 65 HB2 SER 65 -19.062 38.186 16.002 1245 HB3 SER 65 HB3 SER 65 -18.191 36.763 15.432 1246 HG SER 65 HG SER 65 -17.030 38.867 15.531 1247 H VAL 66 H VAL 66 -19.445 35.149 13.319 1248 HA VAL 66 HA VAL 66 -17.393 35.497 11.285 1249 HB VAL 66 HB VAL 66 -18.843 32.918 11.791 1250 HG11 VAL 66 HG11 VAL 66 -16.027 32.669 11.691 1251 HG12 VAL 66 HG12 VAL 66 -16.462 33.828 10.435 1252 HG13 VAL 66 HG13 VAL 66 -17.184 32.219 10.438 1253 HG21 VAL 66 HG21 VAL 66 -16.692 34.140 13.549 1254 HG22 VAL 66 HG22 VAL 66 -17.298 32.488 13.678 1255 HG23 VAL 66 HG23 VAL 66 -18.367 33.849 14.021 1256 H HIS 67 H HIS 67 -20.838 35.163 11.492 1257 HA HIS 67 HA HIS 67 -22.336 35.715 9.762 1258 HB2 HIS 67 HB2 HIS 67 -19.878 35.234 8.084 1259 HB3 HIS 67 HB3 HIS 67 -21.476 35.404 7.357 1260 HD1 HIS 67 HD1 HIS 67 -18.717 37.347 8.861 1261 HD2 HIS 67 HD2 HIS 67 -22.714 38.005 7.876 1262 HE1 HIS 67 HE1 HIS 67 -19.066 39.855 8.920 1263 HE2 HIS 67 HE2 HIS 67 -21.499 40.272 8.322 1264 H LEU 68 H LEU 68 -21.027 32.980 10.807 1265 HA LEU 68 HA LEU 68 -21.805 31.026 8.900 1266 HB2 LEU 68 HB2 LEU 68 -20.672 31.076 11.537 1267 HB3 LEU 68 HB3 LEU 68 -22.002 29.918 11.501 1268 HG LEU 68 HG LEU 68 -20.775 29.367 9.125 1269 HD11 LEU 68 HD11 LEU 68 -18.368 29.347 9.476 1270 HD12 LEU 68 HD12 LEU 68 -18.565 29.995 11.105 1271 HD13 LEU 68 HD13 LEU 68 -18.956 30.994 9.704 1272 HD21 LEU 68 HD21 LEU 68 -19.722 28.101 11.638 1273 HD22 LEU 68 HD22 LEU 68 -20.205 27.334 10.125 1274 HD23 LEU 68 HD23 LEU 68 -21.432 27.940 11.237 1275 H VAL 69 H VAL 69 -23.486 32.646 11.533 1276 HA VAL 69 HA VAL 69 -25.956 31.207 10.765 1277 HB VAL 69 HB VAL 69 -26.260 32.474 13.298 1278 HG11 VAL 69 HG11 VAL 69 -27.293 30.349 12.273 1279 HG12 VAL 69 HG12 VAL 69 -26.868 30.282 13.983 1280 HG13 VAL 69 HG13 VAL 69 -25.817 29.530 12.783 1281 HG21 VAL 69 HG21 VAL 69 -23.681 32.318 13.177 1282 HG22 VAL 69 HG22 VAL 69 -23.914 30.574 13.294 1283 HG23 VAL 69 HG23 VAL 69 -24.469 31.627 14.596 1284 H LYS 70 H LYS 70 -27.968 32.520 11.235 1285 HA LYS 70 HA LYS 70 -27.602 35.412 10.972 1286 HB2 LYS 70 HB2 LYS 70 -28.246 33.679 8.755 1287 HB3 LYS 70 HB3 LYS 70 -29.589 34.774 9.080 1288 HG2 LYS 70 HG2 LYS 70 -27.798 36.630 9.209 1289 HG3 LYS 70 HG3 LYS 70 -26.721 35.465 8.438 1290 HD2 LYS 70 HD2 LYS 70 -27.924 35.463 6.452 1291 HD3 LYS 70 HD3 LYS 70 -29.432 35.916 7.245 1292 HE2 LYS 70 HE3 LYS 70 -28.755 38.198 7.408 1293 HE3 LYS 70 HE2 LYS 70 -27.040 37.790 7.120 1294 HZ1 LYS 70 HZ1 LYS 70 -27.738 38.562 5.094 1295 HZ2 LYS 70 HZ2 LYS 70 -29.383 38.293 5.420 1296 HZ3 LYS 70 HZ3 LYS 70 -28.398 37.009 4.905 1297 H ALA 71 H ALA 71 -29.410 36.616 11.589 1298 HA ALA 71 HA ALA 71 -31.553 35.043 12.888 1299 HB1 ALA 71 HB1 ALA 71 -30.396 36.148 14.622 1300 HB2 ALA 71 HB2 ALA 71 -31.789 37.182 14.308 1301 HB3 ALA 71 HB3 ALA 71 -30.204 37.621 13.672 1302 H LYS 72 H LYS 72 -33.685 35.912 12.840 1303 HA LYS 72 HA LYS 72 -34.159 38.029 10.846 1304 HB2 LYS 72 HB2 LYS 72 -34.957 35.196 10.689 1305 HB3 LYS 72 HB3 LYS 72 -36.259 36.346 10.383 1306 HG2 LYS 72 HG2 LYS 72 -34.952 37.445 8.654 1307 HG3 LYS 72 HG3 LYS 72 -33.548 36.445 9.029 1308 HD2 LYS 72 HD2 LYS 72 -34.313 34.760 7.739 1309 HD3 LYS 72 HD3 LYS 72 -35.894 34.807 8.519 1310 HE2 LYS 72 HE2 LYS 72 -36.012 35.309 6.074 1311 HE3 LYS 72 HE3 LYS 72 -36.598 36.641 7.070 1312 HZ1 LYS 72 HZ1 LYS 72 -34.136 37.402 6.928 1313 HZ2 LYS 72 HZ2 LYS 72 -35.193 37.716 5.637 1314 HZ3 LYS 72 HZ3 LYS 72 -34.098 36.422 5.542 1315 H ARG 73 H ARG 73 -36.513 38.727 10.901 1316 HA ARG 73 HA ARG 73 -37.429 38.766 13.712 1317 HB2 ARG 73 HB2 ARG 73 -38.029 40.824 11.580 1318 HB3 ARG 73 HB3 ARG 73 -38.315 40.958 13.315 1319 HG2 ARG 73 HG2 ARG 73 -35.765 40.606 13.564 1320 HG3 ARG 73 HG3 ARG 73 -35.681 40.972 11.841 1321 HD2 ARG 73 HD2 ARG 73 -37.116 43.058 12.457 1322 HD3 ARG 73 HD3 ARG 73 -36.575 42.745 14.104 1323 HE ARG 73 HE ARG 73 -34.233 42.855 13.073 1324 HH11 ARG 73 HH21 ARG 73 -37.009 44.530 11.864 1325 HH12 ARG 73 HH22 ARG 73 -36.094 45.823 11.162 1326 HH21 ARG 73 HH11 ARG 73 -33.027 44.546 12.155 1327 HH22 ARG 73 HH12 ARG 73 -33.840 45.832 11.327 1328 H GLN 74 H GLN 74 -39.463 38.137 14.181 1329 HA GLN 74 HA GLN 74 -41.457 37.898 12.059 1330 HB2 GLN 74 HB2 GLN 74 -40.000 35.716 12.377 1331 HB3 GLN 74 HB3 GLN 74 -41.048 35.482 13.777 1332 HG2 GLN 74 HG2 GLN 74 -42.661 34.714 12.412 1333 HG3 GLN 74 HG3 GLN 74 -42.710 36.286 11.616 1334 HE21 GLN 74 HE21 GLN 74 -41.313 33.025 11.425 1335 HE22 GLN 74 HE22 GLN 74 -40.776 33.168 9.820 1336 H GLY 75 H GLY 75 -42.427 39.592 13.325 1337 HA2 GLY 75 HA2 GLY 75 -44.236 40.154 14.686 1338 HA3 GLY 75 HA3 GLY 75 -44.174 38.542 15.392 1339 H GLN 76 H GLN 76 -42.670 38.118 17.084 1340 HA GLN 76 HA GLN 76 -41.212 40.385 18.215 1341 HB2 GLN 76 HB2 GLN 76 -43.111 38.853 19.982 1342 HB3 GLN 76 HB3 GLN 76 -42.306 40.389 20.302 1343 HG2 GLN 76 HG2 GLN 76 -43.626 41.340 18.338 1344 HG3 GLN 76 HG3 GLN 76 -44.571 39.852 18.369 1345 HE21 GLN 76 HE21 GLN 76 -43.960 40.007 21.500 1346 HE22 GLN 76 HE22 GLN 76 -45.192 41.041 22.041 1347 H SER 77 H SER 77 -41.065 37.395 17.179 1348 HA SER 77 HA SER 77 -39.273 36.480 19.350 1349 HB2 SER 77 HB2 SER 77 -41.526 35.180 18.311 1350 HB3 SER 77 HB3 SER 77 -40.148 34.361 17.575 1351 HG SER 77 HG SER 77 -39.818 34.941 20.232 1352 H MET 78 H MET 78 -37.199 36.283 18.812 1353 HA MET 78 HA MET 78 -36.374 36.699 16.064 1354 HB2 MET 78 HB2 MET 78 -34.586 36.058 18.411 1355 HB3 MET 78 HB3 MET 78 -34.171 36.921 16.930 1356 HG2 MET 78 HG2 MET 78 -36.249 38.438 17.871 1357 HG3 MET 78 HG3 MET 78 -35.496 37.909 19.376 1358 HE1 MET 78 HE1 MET 78 -34.660 40.035 20.259 1359 HE2 MET 78 HE2 MET 78 -32.973 40.417 19.915 1360 HE3 MET 78 HE3 MET 78 -33.433 38.771 20.351 1361 H ILE 79 H ILE 79 -36.536 35.002 14.727 1362 HA ILE 79 HA ILE 79 -35.988 32.300 15.711 1363 HB ILE 79 HB ILE 79 -37.577 33.461 13.584 1364 HG12 ILE 79 HG12 ILE 79 -37.653 30.555 14.040 1365 HG13 ILE 79 HG13 ILE 79 -37.798 31.508 15.517 1366 HG21 ILE 79 HG21 ILE 79 -35.289 32.360 12.563 1367 HG22 ILE 79 HG22 ILE 79 -36.834 32.395 11.713 1368 HG23 ILE 79 HG23 ILE 79 -36.354 30.955 12.610 1369 HD11 ILE 79 HD11 ILE 79 -39.968 31.825 14.989 1370 HD12 ILE 79 HD12 ILE 79 -39.740 31.112 13.392 1371 HD13 ILE 79 HD13 ILE 79 -39.420 32.828 13.646 1372 H TYR 80 H TYR 80 -34.319 31.021 14.994 1373 HA TYR 80 HA TYR 80 -32.225 32.403 13.428 1374 HB2 TYR 80 HB2 TYR 80 -31.945 30.225 15.515 1375 HB3 TYR 80 HB3 TYR 80 -30.616 30.931 14.595 1376 HD1 TYR 80 HD1 TYR 80 -31.322 33.774 14.503 1377 HD2 TYR 80 HD2 TYR 80 -31.672 30.963 17.732 1378 HE1 TYR 80 HE1 TYR 80 -31.179 35.634 16.137 1379 HE2 TYR 80 HE2 TYR 80 -31.529 32.823 19.366 1380 HH TYR 80 HH TYR 80 -30.482 35.246 19.305 1381 H SER 81 H SER 81 -30.998 31.144 11.937 1382 HA SER 81 HA SER 81 -31.776 28.440 11.310 1383 HB2 SER 81 HB2 SER 81 -33.149 30.626 10.029 1384 HB3 SER 81 HB3 SER 81 -32.202 29.734 8.840 1385 HG SER 81 HG SER 81 -34.331 28.877 9.225 1386 H LEU 82 H LEU 82 -30.684 27.768 9.167 1387 HA LEU 82 HA LEU 82 -27.911 28.310 9.391 1388 HB2 LEU 82 HB2 LEU 82 -29.236 27.143 6.946 1389 HB3 LEU 82 HB3 LEU 82 -27.629 26.804 7.588 1390 HG LEU 82 HG LEU 82 -30.247 26.113 8.959 1391 HD11 LEU 82 HD11 LEU 82 -28.180 24.274 7.720 1392 HD12 LEU 82 HD12 LEU 82 -29.663 24.765 6.902 1393 HD13 LEU 82 HD13 LEU 82 -29.748 23.819 8.388 1394 HD21 LEU 82 HD21 LEU 82 -28.372 24.655 10.223 1395 HD22 LEU 82 HD22 LEU 82 -28.815 26.279 10.752 1396 HD23 LEU 82 HD23 LEU 82 -27.377 26.036 9.759 1397 H ASP 83 H ASP 83 -26.618 28.934 7.349 1398 HA ASP 83 HA ASP 83 -27.511 31.592 6.570 1399 HB2 ASP 83 HB2 ASP 83 -25.004 30.325 6.979 1400 HB3 ASP 83 HB3 ASP 83 -25.068 30.819 5.288 1401 H ASP 84 H ASP 84 -26.710 28.502 5.022 1402 HA ASP 84 HA ASP 84 -28.516 29.043 2.846 1403 HB2 ASP 84 HB2 ASP 84 -25.556 29.316 2.486 1404 HB3 ASP 84 HB3 ASP 84 -26.516 28.625 1.179 1405 H ILE 85 H ILE 85 -26.906 27.243 1.081 1406 HA ILE 85 HA ILE 85 -27.591 24.716 2.446 1407 HB ILE 85 HB ILE 85 -27.434 23.893 -0.049 1408 HG12 ILE 85 HG12 ILE 85 -27.813 26.890 -0.287 1409 HG13 ILE 85 HG13 ILE 85 -26.558 25.907 -1.042 1410 HG21 ILE 85 HG21 ILE 85 -29.718 25.651 0.899 1411 HG22 ILE 85 HG22 ILE 85 -29.477 23.972 1.382 1412 HG23 ILE 85 HG23 ILE 85 -29.819 24.364 -0.303 1413 HD11 ILE 85 HD11 ILE 85 -28.181 26.302 -2.750 1414 HD12 ILE 85 HD12 ILE 85 -29.519 25.937 -1.662 1415 HD13 ILE 85 HD13 ILE 85 -28.452 24.645 -2.212 1416 H HIS 86 H HIS 86 -25.004 26.440 2.342 1417 HA HIS 86 HA HIS 86 -23.134 24.514 1.180 1418 HB2 HIS 86 HB2 HIS 86 -22.644 27.171 2.552 1419 HB3 HIS 86 HB3 HIS 86 -21.422 26.194 1.739 1420 HD1 HIS 86 HD1 HIS 86 -23.125 29.100 1.040 1421 HD2 HIS 86 HD2 HIS 86 -22.826 25.524 -1.082 1422 HE1 HIS 86 HE1 HIS 86 -23.696 29.645 -1.367 1423 HE2 HIS 86 HE2 HIS 86 -23.518 27.475 -2.673 1424 H VAL 87 H VAL 87 -23.944 25.929 4.335 1425 HA VAL 87 HA VAL 87 -21.985 24.542 5.832 1426 HB VAL 87 HB VAL 87 -24.065 24.931 7.594 1427 HG11 VAL 87 HG11 VAL 87 -22.235 26.058 8.387 1428 HG12 VAL 87 HG12 VAL 87 -21.592 26.268 6.727 1429 HG13 VAL 87 HG13 VAL 87 -22.757 27.375 7.522 1430 HG21 VAL 87 HG21 VAL 87 -25.486 25.863 5.819 1431 HG22 VAL 87 HG22 VAL 87 -24.222 27.019 5.396 1432 HG23 VAL 87 HG23 VAL 87 -25.031 27.129 6.959 1433 H ALA 88 H ALA 88 -25.382 23.801 5.097 1434 HA ALA 88 HA ALA 88 -25.733 21.529 6.640 1435 HB1 ALA 88 HB1 ALA 88 -27.601 21.102 5.347 1436 HB2 ALA 88 HB2 ALA 88 -26.789 21.535 3.843 1437 HB3 ALA 88 HB3 ALA 88 -27.327 22.798 4.949 1438 H THR 89 H THR 89 -24.588 21.649 3.259 1439 HA THR 89 HA THR 89 -24.042 18.917 2.980 1440 HB THR 89 HB THR 89 -22.135 20.142 1.408 1441 HG1 THR 89 HG1 THR 89 -24.050 21.862 0.809 1442 HG21 THR 89 HG21 THR 89 -23.788 19.883 -0.382 1443 HG22 THR 89 HG22 THR 89 -25.089 19.808 0.806 1444 HG23 THR 89 HG23 THR 89 -23.891 18.516 0.728 1445 H MET 90 H MET 90 -21.770 21.562 3.761 1446 HA MET 90 HA MET 90 -19.439 20.205 4.111 1447 HB2 MET 90 HB2 MET 90 -19.851 22.676 4.497 1448 HB3 MET 90 HB3 MET 90 -20.418 22.249 6.112 1449 HG2 MET 90 HG2 MET 90 -18.236 21.126 6.546 1450 HG3 MET 90 HG3 MET 90 -17.674 21.658 4.961 1451 HE1 MET 90 HE1 MET 90 -15.595 24.223 6.204 1452 HE2 MET 90 HE2 MET 90 -15.832 22.587 5.590 1453 HE3 MET 90 HE3 MET 90 -15.701 22.866 7.327 1454 H LEU 91 H LEU 91 -21.788 20.732 6.754 1455 HA LEU 91 HA LEU 91 -20.607 19.150 8.688 1456 HB2 LEU 91 HB2 LEU 91 -22.715 20.628 8.840 1457 HB3 LEU 91 HB3 LEU 91 -23.594 19.201 8.291 1458 HG LEU 91 HG LEU 91 -22.199 18.016 10.213 1459 HD11 LEU 91 HD11 LEU 91 -20.884 20.023 10.772 1460 HD12 LEU 91 HD12 LEU 91 -21.891 19.541 12.137 1461 HD13 LEU 91 HD13 LEU 91 -22.369 20.905 11.126 1462 HD21 LEU 91 HD21 LEU 91 -24.583 19.811 10.766 1463 HD22 LEU 91 HD22 LEU 91 -24.092 18.422 11.735 1464 HD23 LEU 91 HD23 LEU 91 -24.668 18.186 10.085 1465 H LYS 92 H LYS 92 -22.883 18.164 6.141 1466 HA LYS 92 HA LYS 92 -23.107 15.459 6.898 1467 HB2 LYS 92 HB2 LYS 92 -24.212 17.052 4.940 1468 HB3 LYS 92 HB3 LYS 92 -23.198 15.950 4.007 1469 HG2 LYS 92 HG2 LYS 92 -24.612 14.231 4.372 1470 HG3 LYS 92 HG3 LYS 92 -24.613 14.531 6.110 1471 HD2 LYS 92 HD2 LYS 92 -26.536 15.762 6.027 1472 HD3 LYS 92 HD3 LYS 92 -26.118 16.494 4.478 1473 HE2 LYS 92 HE2 LYS 92 -27.758 14.143 5.031 1474 HE3 LYS 92 HE3 LYS 92 -27.626 15.091 3.549 1475 HZ1 LYS 92 HZ1 LYS 92 -26.039 12.770 4.415 1476 HZ2 LYS 92 HZ2 LYS 92 -25.359 13.901 3.346 1477 HZ3 LYS 92 HZ3 LYS 92 -26.775 13.068 2.914 1478 H GLN 93 H GLN 93 -21.404 16.568 3.974 1479 HA GLN 93 HA GLN 93 -19.927 14.443 3.310 1480 HB2 GLN 93 HB2 GLN 93 -19.757 17.131 2.736 1481 HB3 GLN 93 HB3 GLN 93 -18.191 16.801 3.477 1482 HG2 GLN 93 HG2 GLN 93 -17.606 15.229 1.848 1483 HG3 GLN 93 HG3 GLN 93 -19.283 14.918 1.405 1484 HE21 GLN 93 HE21 GLN 93 -20.156 17.633 1.053 1485 HE22 GLN 93 HE22 GLN 93 -19.336 18.281 -0.285 1486 H ALA 94 H ALA 94 -19.032 16.682 5.928 1487 HA ALA 94 HA ALA 94 -16.618 15.647 6.722 1488 HB1 ALA 94 HB1 ALA 94 -18.909 16.724 8.369 1489 HB2 ALA 94 HB2 ALA 94 -17.447 17.567 7.857 1490 HB3 ALA 94 HB3 ALA 94 -17.351 16.298 9.078 1491 H ILE 95 H ILE 95 -19.719 14.680 8.214 1492 HA ILE 95 HA ILE 95 -18.670 12.424 9.539 1493 HB ILE 95 HB ILE 95 -21.435 13.315 8.780 1494 HG12 ILE 95 HG13 ILE 95 -19.786 13.073 11.270 1495 HG13 ILE 95 HG12 ILE 95 -20.774 14.444 10.692 1496 HG21 ILE 95 HG21 ILE 95 -20.873 10.663 8.775 1497 HG22 ILE 95 HG22 ILE 95 -22.414 11.319 9.329 1498 HG23 ILE 95 HG23 ILE 95 -21.158 10.910 10.498 1499 HD11 ILE 95 HD11 ILE 95 -21.530 13.111 12.752 1500 HD12 ILE 95 HD12 ILE 95 -21.694 11.694 11.715 1501 HD13 ILE 95 HD13 ILE 95 -22.713 13.107 11.444 1502 H HIS 96 H HIS 96 -19.290 12.954 6.253 1503 HA HIS 96 HA HIS 96 -19.981 10.258 5.521 1504 HB2 HIS 96 HB2 HIS 96 -20.297 12.574 4.241 1505 HB3 HIS 96 HB3 HIS 96 -18.733 12.127 3.559 1506 HD1 HIS 96 HD1 HIS 96 -19.823 8.949 4.056 1507 HD2 HIS 96 HD2 HIS 96 -21.273 11.918 1.514 1508 HE1 HIS 96 HE1 HIS 96 -21.113 7.761 2.229 1509 HE2 HIS 96 HE2 HIS 96 -22.004 9.557 0.671 1510 H HIS 97 H HIS 97 -17.020 12.229 5.363 1511 HA HIS 97 HA HIS 97 -15.409 10.110 4.308 1512 HB2 HIS 97 HB2 HIS 97 -14.886 12.539 4.037 1513 HB3 HIS 97 HB3 HIS 97 -14.516 12.613 5.760 1514 HD1 HIS 97 HD1 HIS 97 -13.166 11.439 2.495 1515 HD2 HIS 97 HD2 HIS 97 -12.160 11.123 6.528 1516 HE1 HIS 97 HE1 HIS 97 -10.790 10.565 2.574 1517 HE2 HIS 97 HE2 HIS 97 -10.162 10.368 5.027 1518 H ALA 98 H ALA 98 -15.880 11.500 7.543 1519 HA ALA 98 HA ALA 98 -13.963 10.042 8.942 1520 HB1 ALA 98 HB1 ALA 98 -16.593 11.273 9.677 1521 HB2 ALA 98 HB2 ALA 98 -14.970 11.686 10.230 1522 HB3 ALA 98 HB3 ALA 98 -15.772 10.242 10.849 1523 H ASN 99 H ASN 99 -17.311 9.170 8.136 1524 HA ASN 99 HA ASN 99 -16.808 6.450 9.156 1525 HB2 ASN 99 HB2 ASN 99 -18.851 7.877 9.870 1526 HB3 ASN 99 HB3 ASN 99 -19.485 7.499 8.269 1527 HD21 ASN 99 HD21 ASN 99 -20.947 5.799 8.496 1528 HD22 ASN 99 HD22 ASN 99 -20.688 4.418 9.449 1529 H HIS 100 H HIS 100 -15.525 5.858 7.310 1530 HA HIS 100 HA HIS 100 -16.898 5.758 4.724 1531 HB2 HIS 100 HB2 HIS 100 -14.218 6.080 5.494 1532 HB3 HIS 100 HB3 HIS 100 -14.306 4.471 4.778 1533 HD1 HIS 100 HD1 HIS 100 -16.724 7.034 3.580 1534 HD2 HIS 100 HD2 HIS 100 -13.033 5.502 2.393 1535 HE1 HIS 100 HE1 HIS 100 -16.350 7.828 1.205 1536 HE2 HIS 100 HE2 HIS 100 -14.103 6.902 0.466 1537 HA PRO 101 HA PRO 101 -17.873 1.553 6.253 1538 HB2 PRO 101 HB2 PRO 101 -20.315 1.409 5.026 1539 HB3 PRO 101 HB3 PRO 101 -20.072 2.187 6.600 1540 HG2 PRO 101 HG2 PRO 101 -20.360 3.409 3.901 1541 HG3 PRO 101 HG3 PRO 101 -20.989 3.958 5.462 1542 HD2 PRO 101 HD2 PRO 101 -18.739 5.011 4.251 1543 HD3 PRO 101 HD3 PRO 101 -19.028 5.050 6.003 1544 H LYS 102 H LYS 102 -16.020 1.215 4.630 1545 HA LYS 102 HA LYS 102 -16.249 0.875 1.922 1546 HB2 LYS 102 HB2 LYS 102 -14.108 0.456 2.685 1547 HB3 LYS 102 HB3 LYS 102 -14.668 -0.538 4.030 1548 HG2 LYS 102 HG2 LYS 102 -15.237 -1.527 1.274 1549 HG3 LYS 102 HG3 LYS 102 -13.567 -1.615 1.832 1550 HD2 LYS 102 HD2 LYS 102 -14.037 -3.208 3.404 1551 HD3 LYS 102 HD3 LYS 102 -15.619 -2.520 3.772 1552 HE2 LYS 102 HE2 LYS 102 -14.846 -4.427 1.584 1553 HE3 LYS 102 HE3 LYS 102 -16.216 -4.502 2.692 1554 HZ1 LYS 102 HZ1 LYS 102 -15.908 -2.761 0.323 1555 HZ2 LYS 102 HZ2 LYS 102 -17.162 -3.889 0.688 1556 HZ3 LYS 102 HZ3 LYS 102 -16.947 -2.364 1.467 1557 H GLU 103 H GLU 103 -15.615 -2.137 2.055 1558 HA GLU 103 HA GLU 103 -16.828 -4.161 2.162 1559 HB2 GLU 103 HB2 GLU 103 -19.283 -4.121 2.392 1560 HB3 GLU 103 HB3 GLU 103 -18.505 -3.189 3.671 1561 HG2 GLU 103 HG2 GLU 103 -19.320 -1.201 2.899 1562 HG3 GLU 103 HG3 GLU 103 -19.155 -1.675 1.210 Start of MODEL 2 1 H ASN 9 H ASN 9 -21.360 6.706 21.397 2 HA ASN 9 HA ASN 9 -21.394 7.296 18.864 3 HB2 ASN 9 HB2 ASN 9 -23.315 8.739 18.342 4 HB3 ASN 9 HB3 ASN 9 -23.855 7.103 18.710 5 HD21 ASN 9 HD21 ASN 9 -23.780 10.431 19.919 6 HD22 ASN 9 HD22 ASN 9 -24.891 10.181 21.178 7 H THR 10 H THR 10 -21.144 7.969 22.023 8 HA THR 10 HA THR 10 -20.799 10.861 21.881 9 HB THR 10 HB THR 10 -20.177 10.644 24.261 10 HG1 THR 10 HG1 THR 10 -19.186 8.661 24.262 11 HG21 THR 10 HG21 THR 10 -22.651 9.086 23.447 12 HG22 THR 10 HG22 THR 10 -22.549 10.833 23.661 13 HG23 THR 10 HG23 THR 10 -22.361 9.763 25.049 14 H ASP 11 H ASP 11 -18.883 7.968 21.675 15 HA ASP 11 HA ASP 11 -16.353 9.242 22.204 16 HB2 ASP 11 HB2 ASP 11 -17.014 6.586 20.907 17 HB3 ASP 11 HB3 ASP 11 -15.398 7.109 21.380 18 H THR 12 H THR 12 -17.898 7.930 19.266 19 HA THR 12 HA THR 12 -15.964 8.858 17.445 20 HB THR 12 HB THR 12 -17.794 8.604 15.750 21 HG1 THR 12 HG1 THR 12 -19.611 7.428 17.178 22 HG21 THR 12 HG21 THR 12 -18.105 6.169 16.152 23 HG22 THR 12 HG22 THR 12 -17.486 6.380 17.789 24 HG23 THR 12 HG23 THR 12 -16.435 6.674 16.404 25 H LEU 13 H LEU 13 -18.512 10.486 19.125 26 HA LEU 13 HA LEU 13 -18.972 12.634 17.376 27 HB2 LEU 13 HB2 LEU 13 -20.390 12.117 19.335 28 HB3 LEU 13 HB3 LEU 13 -19.082 12.613 20.404 29 HG LEU 13 HG LEU 13 -19.162 14.892 19.427 30 HD11 LEU 13 HD11 LEU 13 -21.262 13.605 17.694 31 HD12 LEU 13 HD12 LEU 13 -19.976 14.726 17.247 32 HD13 LEU 13 HD13 LEU 13 -21.400 15.316 18.089 33 HD21 LEU 13 HD21 LEU 13 -21.323 15.529 20.441 34 HD22 LEU 13 HD22 LEU 13 -20.466 14.353 21.437 35 HD23 LEU 13 HD23 LEU 13 -21.820 13.837 20.432 36 H GLU 14 H GLU 14 -17.006 12.726 20.375 37 HA GLU 14 HA GLU 14 -15.818 15.173 19.980 38 HB2 GLU 14 HB2 GLU 14 -14.507 12.738 21.211 39 HB3 GLU 14 HB3 GLU 14 -14.067 14.421 21.500 40 HG2 GLU 14 HG2 GLU 14 -16.786 13.222 22.104 41 HG3 GLU 14 HG3 GLU 14 -15.519 13.485 23.301 42 H ARG 15 H ARG 15 -15.099 12.161 18.375 43 HA ARG 15 HA ARG 15 -12.485 12.764 17.474 44 HB2 ARG 15 HB2 ARG 15 -13.678 10.507 17.398 45 HB3 ARG 15 HB3 ARG 15 -14.510 11.107 15.963 46 HG2 ARG 15 HG2 ARG 15 -12.285 11.574 14.922 47 HG3 ARG 15 HG3 ARG 15 -11.510 10.843 16.327 48 HD2 ARG 15 HD2 ARG 15 -13.462 9.459 14.463 49 HD3 ARG 15 HD3 ARG 15 -11.719 9.207 14.496 50 HE ARG 15 HE ARG 15 -12.553 8.695 17.071 51 HH11 ARG 15 HH21 ARG 15 -13.332 7.566 13.894 52 HH12 ARG 15 HH22 ARG 15 -13.740 5.965 14.413 53 HH21 ARG 15 HH11 ARG 15 -13.094 6.601 17.760 54 HH22 ARG 15 HH12 ARG 15 -13.595 5.415 16.602 55 H VAL 16 H VAL 16 -15.680 13.602 16.305 56 HA VAL 16 HA VAL 16 -15.150 14.451 13.724 57 HB VAL 16 HB VAL 16 -16.985 15.772 15.739 58 HG11 VAL 16 HG11 VAL 16 -18.239 16.348 13.591 59 HG12 VAL 16 HG12 VAL 16 -16.782 15.872 12.720 60 HG13 VAL 16 HG13 VAL 16 -16.730 17.224 13.852 61 HG21 VAL 16 HG21 VAL 16 -17.671 13.691 13.653 62 HG22 VAL 16 HG22 VAL 16 -18.671 14.255 14.992 63 HG23 VAL 16 HG23 VAL 16 -17.250 13.259 15.310 64 H THR 17 H THR 17 -14.251 15.890 16.762 65 HA THR 17 HA THR 17 -13.602 18.481 15.710 66 HB THR 17 HB THR 17 -12.585 18.893 17.868 67 HG1 THR 17 HG1 THR 17 -11.496 16.944 18.119 68 HG21 THR 17 HG21 THR 17 -14.485 18.521 19.271 69 HG22 THR 17 HG22 THR 17 -14.973 17.098 18.349 70 HG23 THR 17 HG23 THR 17 -15.118 18.704 17.635 71 H GLU 18 H GLU 18 -11.495 15.915 17.031 72 HA GLU 18 HA GLU 18 -9.049 16.770 16.412 73 HB2 GLU 18 HB2 GLU 18 -10.190 13.999 16.078 74 HB3 GLU 18 HB3 GLU 18 -8.476 14.324 15.829 75 HG2 GLU 18 HG2 GLU 18 -9.007 13.575 18.154 76 HG3 GLU 18 HG3 GLU 18 -8.248 15.163 18.093 77 H ILE 19 H ILE 19 -11.443 15.914 14.029 78 HA ILE 19 HA ILE 19 -9.783 15.486 11.802 79 HB ILE 19 HB ILE 19 -12.477 16.868 11.804 80 HG12 ILE 19 HG12 ILE 19 -11.801 13.917 11.590 81 HG13 ILE 19 HG13 ILE 19 -12.472 14.690 13.026 82 HG21 ILE 19 HG21 ILE 19 -10.991 15.267 9.695 83 HG22 ILE 19 HG22 ILE 19 -11.231 17.014 9.673 84 HG23 ILE 19 HG23 ILE 19 -12.613 15.935 9.513 85 HD11 ILE 19 HD11 ILE 19 -13.780 14.583 10.291 86 HD12 ILE 19 HD12 ILE 19 -14.445 15.403 11.702 87 HD13 ILE 19 HD13 ILE 19 -14.264 13.648 11.705 88 H PHE 20 H PHE 20 -11.215 18.511 13.030 89 HA PHE 20 HA PHE 20 -9.985 20.171 11.074 90 HB2 PHE 20 HB2 PHE 20 -10.961 20.966 13.824 91 HB3 PHE 20 HB3 PHE 20 -10.737 22.022 12.431 92 HD1 PHE 20 HD1 PHE 20 -11.953 21.098 10.200 93 HD2 PHE 20 HD2 PHE 20 -13.159 20.254 14.236 94 HE1 PHE 20 HE1 PHE 20 -14.242 20.567 9.407 95 HE2 PHE 20 HE2 PHE 20 -15.447 19.723 13.441 96 HZ PHE 20 HZ PHE 20 -15.988 19.879 11.026 97 H LYS 21 H LYS 21 -9.279 19.756 14.549 98 HA LYS 21 HA LYS 21 -7.048 21.337 14.747 99 HB2 LYS 21 HB2 LYS 21 -8.246 20.060 16.588 100 HB3 LYS 21 HB3 LYS 21 -7.280 18.660 16.123 101 HG2 LYS 21 HG2 LYS 21 -5.234 20.216 16.383 102 HG3 LYS 21 HG3 LYS 21 -6.331 21.308 17.228 103 HD2 LYS 21 HD2 LYS 21 -5.749 18.428 17.979 104 HD3 LYS 21 HD3 LYS 21 -5.182 19.860 18.838 105 HE2 LYS 21 HE2 LYS 21 -7.662 20.494 19.079 106 HE3 LYS 21 HE3 LYS 21 -8.014 18.839 18.577 107 HZ1 LYS 21 HZ1 LYS 21 -6.257 19.570 20.854 108 HZ2 LYS 21 HZ2 LYS 21 -6.736 18.004 20.405 109 HZ3 LYS 21 HZ3 LYS 21 -7.883 19.104 21.004 110 H ALA 22 H ALA 22 -7.227 18.036 13.499 111 HA ALA 22 HA ALA 22 -4.307 17.939 13.125 112 HB1 ALA 22 HB1 ALA 22 -5.507 16.022 14.168 113 HB2 ALA 22 HB2 ALA 22 -4.637 15.584 12.698 114 HB3 ALA 22 HB3 ALA 22 -6.387 15.795 12.657 115 H LEU 23 H LEU 23 -6.449 19.457 11.406 116 HA LEU 23 HA LEU 23 -6.299 18.148 8.857 117 HB2 LEU 23 HB2 LEU 23 -8.030 19.898 9.823 118 HB3 LEU 23 HB3 LEU 23 -6.927 21.080 9.136 119 HG LEU 23 HG LEU 23 -8.354 18.839 7.676 120 HD11 LEU 23 HD11 LEU 23 -9.536 20.599 6.562 121 HD12 LEU 23 HD12 LEU 23 -8.463 21.830 7.228 122 HD13 LEU 23 HD13 LEU 23 -9.591 20.979 8.283 123 HD21 LEU 23 HD21 LEU 23 -6.251 18.947 6.606 124 HD22 LEU 23 HD22 LEU 23 -6.134 20.696 6.812 125 HD23 LEU 23 HD23 LEU 23 -7.264 20.016 5.642 126 H GLY 24 H GLY 24 -4.699 20.998 10.290 127 HA2 GLY 24 HA2 GLY 24 -2.184 20.743 9.503 128 HA3 GLY 24 HA3 GLY 24 -2.911 21.241 7.980 129 H ASP 25 H ASP 25 -0.932 22.652 9.588 130 HA ASP 25 HA ASP 25 -2.298 24.902 10.809 131 HB2 ASP 25 HB2 ASP 25 0.609 24.295 10.254 132 HB3 ASP 25 HB3 ASP 25 0.063 25.806 10.977 133 H TYR 26 H TYR 26 -1.291 27.139 10.112 134 HA TYR 26 HA TYR 26 -2.462 28.032 7.845 135 HB2 TYR 26 HB2 TYR 26 -1.310 29.440 9.560 136 HB3 TYR 26 HB3 TYR 26 0.229 29.022 8.807 137 HD1 TYR 26 HD2 TYR 26 -2.967 30.816 8.366 138 HD2 TYR 26 HD1 TYR 26 0.856 29.904 6.633 139 HE1 TYR 26 HE2 TYR 26 -3.303 32.608 6.685 140 HE2 TYR 26 HE1 TYR 26 0.520 31.695 4.951 141 HH TYR 26 HH TYR 26 -1.281 34.086 5.144 142 H ASN 27 H ASN 27 1.065 27.500 7.892 143 HA ASN 27 HA ASN 27 1.532 27.723 5.199 144 HB2 ASN 27 HB2 ASN 27 2.903 25.958 7.233 145 HB3 ASN 27 HB3 ASN 27 3.523 26.231 5.605 146 HD21 ASN 27 HD21 ASN 27 4.755 27.091 8.195 147 HD22 ASN 27 HD22 ASN 27 4.882 28.781 8.104 148 H ARG 28 H ARG 28 0.086 25.032 6.879 149 HA ARG 28 HA ARG 28 0.503 23.128 4.766 150 HB2 ARG 28 HB2 ARG 28 -1.623 22.930 6.894 151 HB3 ARG 28 HB3 ARG 28 -0.767 21.627 6.070 152 HG2 ARG 28 HG2 ARG 28 0.439 23.609 8.021 153 HG3 ARG 28 HG3 ARG 28 0.135 21.900 8.328 154 HD2 ARG 28 HD2 ARG 28 1.646 21.453 6.284 155 HD3 ARG 28 HD3 ARG 28 2.143 23.136 6.442 156 HE ARG 28 HE ARG 28 2.404 21.937 8.961 157 HH11 ARG 28 HH21 ARG 28 3.705 21.737 5.761 158 HH12 ARG 28 HH22 ARG 28 5.257 21.167 6.279 159 HH21 ARG 28 HH11 ARG 28 4.438 21.195 9.648 160 HH22 ARG 28 HH12 ARG 28 5.672 20.861 8.480 161 H ILE 29 H ILE 29 -1.774 25.638 5.384 162 HA ILE 29 HA ILE 29 -3.929 24.586 3.813 163 HB ILE 29 HB ILE 29 -3.339 27.488 4.433 164 HG12 ILE 29 HG12 ILE 29 -3.310 26.293 6.530 165 HG13 ILE 29 HG13 ILE 29 -4.861 27.117 6.398 166 HG21 ILE 29 HG21 ILE 29 -5.082 27.091 2.742 167 HG22 ILE 29 HG22 ILE 29 -5.789 27.712 4.234 168 HG23 ILE 29 HG23 ILE 29 -5.912 25.996 3.847 169 HD11 ILE 29 HD11 ILE 29 -5.703 24.865 5.378 170 HD12 ILE 29 HD12 ILE 29 -5.463 24.964 7.121 171 HD13 ILE 29 HD13 ILE 29 -4.251 24.182 6.108 172 H ARG 30 H ARG 30 -1.111 26.619 3.152 173 HA ARG 30 HA ARG 30 -1.853 27.390 0.527 174 HB2 ARG 30 HB2 ARG 30 -0.018 28.419 1.924 175 HB3 ARG 30 HB3 ARG 30 0.959 26.994 1.568 176 HG2 ARG 30 HG2 ARG 30 0.627 27.453 -0.877 177 HG3 ARG 30 HG3 ARG 30 -0.192 28.952 -0.441 178 HD2 ARG 30 HD2 ARG 30 1.884 29.606 0.843 179 HD3 ARG 30 HD3 ARG 30 2.682 28.198 0.147 180 HE ARG 30 HE ARG 30 2.867 29.363 -1.846 181 HH11 ARG 30 HH21 ARG 30 0.478 30.802 0.204 182 HH12 ARG 30 HH22 ARG 30 0.225 32.173 -0.823 183 HH21 ARG 30 HH11 ARG 30 2.550 31.168 -3.189 184 HH22 ARG 30 HH12 ARG 30 1.398 32.382 -2.741 185 H ILE 31 H ILE 31 -0.426 24.499 1.872 186 HA ILE 31 HA ILE 31 0.419 23.429 -0.679 187 HB ILE 31 HB ILE 31 0.088 22.068 2.007 188 HG12 ILE 31 HG12 ILE 31 2.596 23.100 0.650 189 HG13 ILE 31 HG13 ILE 31 1.728 23.989 1.902 190 HG21 ILE 31 HG21 ILE 31 0.085 20.432 0.230 191 HG22 ILE 31 HG22 ILE 31 1.696 20.424 0.947 192 HG23 ILE 31 HG23 ILE 31 1.418 21.245 -0.589 193 HD11 ILE 31 HD11 ILE 31 3.494 22.775 2.999 194 HD12 ILE 31 HD12 ILE 31 3.066 21.284 2.161 195 HD13 ILE 31 HD13 ILE 31 1.985 21.948 3.385 196 H MET 32 H MET 32 -2.294 22.954 1.551 197 HA MET 32 HA MET 32 -3.578 20.814 0.333 198 HB2 MET 32 HB2 MET 32 -4.267 21.914 2.475 199 HB3 MET 32 HB3 MET 32 -4.934 23.244 1.528 200 HG2 MET 32 HG2 MET 32 -6.467 21.712 0.395 201 HG3 MET 32 HG3 MET 32 -5.758 20.338 1.243 202 HE1 MET 32 HE1 MET 32 -9.122 20.383 2.932 203 HE2 MET 32 HE2 MET 32 -7.696 19.349 2.844 204 HE3 MET 32 HE3 MET 32 -8.337 20.091 1.378 205 H GLU 33 H GLU 33 -3.426 24.181 -0.612 206 HA GLU 33 HA GLU 33 -5.487 24.051 -2.600 207 HB2 GLU 33 HB2 GLU 33 -3.222 25.984 -2.091 208 HB3 GLU 33 HB3 GLU 33 -4.349 26.175 -3.434 209 HG2 GLU 33 HG2 GLU 33 -6.237 26.223 -1.866 210 HG3 GLU 33 HG3 GLU 33 -5.137 25.976 -0.512 211 H LEU 34 H LEU 34 -1.979 23.632 -2.592 212 HA LEU 34 HA LEU 34 -1.626 23.485 -5.386 213 HB2 LEU 34 HB2 LEU 34 0.098 23.663 -3.404 214 HB3 LEU 34 HB3 LEU 34 0.080 21.910 -3.469 215 HG LEU 34 HG LEU 34 1.886 22.643 -4.849 216 HD11 LEU 34 HD11 LEU 34 0.349 20.816 -5.707 217 HD12 LEU 34 HD12 LEU 34 1.352 21.606 -6.921 218 HD13 LEU 34 HD13 LEU 34 -0.352 22.030 -6.780 219 HD21 LEU 34 HD21 LEU 34 0.133 24.253 -6.683 220 HD22 LEU 34 HD22 LEU 34 1.861 24.367 -6.383 221 HD23 LEU 34 HD23 LEU 34 0.724 24.996 -5.199 222 H LEU 35 H LEU 35 -1.636 20.795 -3.033 223 HA LEU 35 HA LEU 35 -1.668 18.673 -4.771 224 HB2 LEU 35 HB2 LEU 35 -3.327 18.849 -2.246 225 HB3 LEU 35 HB3 LEU 35 -2.752 17.376 -3.022 226 HG LEU 35 HG LEU 35 -0.945 19.549 -1.921 227 HD11 LEU 35 HD11 LEU 35 -1.935 16.943 -0.749 228 HD12 LEU 35 HD12 LEU 35 -2.049 18.559 -0.051 229 HD13 LEU 35 HD13 LEU 35 -0.484 17.754 -0.160 230 HD21 LEU 35 HD21 LEU 35 -0.478 16.843 -3.179 231 HD22 LEU 35 HD22 LEU 35 0.700 17.533 -2.065 232 HD23 LEU 35 HD23 LEU 35 0.297 18.383 -3.551 233 H SER 36 H SER 36 -4.330 20.820 -3.963 234 HA SER 36 HA SER 36 -6.449 19.281 -4.992 235 HB2 SER 36 HB2 SER 36 -7.741 21.221 -4.818 236 HB3 SER 36 HB3 SER 36 -6.446 21.551 -3.668 237 HG SER 36 HG SER 36 -6.712 22.468 -6.331 238 H VAL 37 H VAL 37 -4.075 21.351 -6.542 239 HA VAL 37 HA VAL 37 -5.387 21.340 -9.107 240 HB VAL 37 HB VAL 37 -2.503 22.013 -8.490 241 HG11 VAL 37 HG11 VAL 37 -2.768 23.442 -10.507 242 HG12 VAL 37 HG12 VAL 37 -4.404 22.817 -10.714 243 HG13 VAL 37 HG13 VAL 37 -3.021 21.735 -10.872 244 HG21 VAL 37 HG21 VAL 37 -3.800 23.394 -7.039 245 HG22 VAL 37 HG22 VAL 37 -5.041 23.643 -8.267 246 HG23 VAL 37 HG23 VAL 37 -3.456 24.393 -8.451 247 H SER 38 H SER 38 -2.748 19.540 -7.580 248 HA SER 38 HA SER 38 -3.129 17.270 -9.240 249 HB2 SER 38 HB2 SER 38 -0.979 17.365 -10.480 250 HB3 SER 38 HB3 SER 38 -2.090 18.644 -10.964 251 HG SER 38 HG SER 38 0.177 18.804 -9.287 252 H GLU 39 H GLU 39 -1.765 15.519 -8.682 253 HA GLU 39 HA GLU 39 -0.820 15.603 -5.972 254 HB2 GLU 39 HB2 GLU 39 -0.213 13.232 -6.380 255 HB3 GLU 39 HB3 GLU 39 -1.875 13.587 -6.853 256 HG2 GLU 39 HG2 GLU 39 -1.042 13.940 -9.207 257 HG3 GLU 39 HG3 GLU 39 0.532 13.353 -8.677 258 H ALA 40 H ALA 40 1.373 14.785 -5.369 259 HA ALA 40 HA ALA 40 3.515 15.176 -7.287 260 HB1 ALA 40 HB1 ALA 40 3.228 17.055 -4.929 261 HB2 ALA 40 HB2 ALA 40 3.028 17.496 -6.625 262 HB3 ALA 40 HB3 ALA 40 4.605 16.982 -6.028 263 H SER 41 H SER 41 5.616 14.655 -6.397 264 HA SER 41 HA SER 41 5.439 12.585 -4.337 265 HB2 SER 41 HB2 SER 41 7.684 11.992 -5.032 266 HB3 SER 41 HB3 SER 41 6.680 12.199 -6.467 267 HG SER 41 HG SER 41 7.809 13.887 -7.021 268 H VAL 42 H VAL 42 7.220 12.487 -2.708 269 HA VAL 42 HA VAL 42 7.160 14.689 -1.002 270 HB VAL 42 HB VAL 42 9.305 12.555 -1.117 271 HG11 VAL 42 HG11 VAL 42 9.441 13.007 1.320 272 HG12 VAL 42 HG12 VAL 42 8.260 14.303 1.132 273 HG13 VAL 42 HG13 VAL 42 9.843 14.436 0.368 274 HG21 VAL 42 HG21 VAL 42 6.558 12.600 0.162 275 HG22 VAL 42 HG22 VAL 42 7.803 11.420 0.568 276 HG23 VAL 42 HG23 VAL 42 7.142 11.477 -1.066 277 H GLY 43 H GLY 43 9.903 13.596 -3.024 278 HA2 GLY 43 HA2 GLY 43 11.574 15.773 -2.410 279 HA3 GLY 43 HA3 GLY 43 11.741 14.729 -3.816 280 H HIS 44 H HIS 44 9.130 15.347 -4.922 281 HA HIS 44 HA HIS 44 9.885 17.641 -6.436 282 HB2 HIS 44 HB2 HIS 44 7.354 15.990 -6.358 283 HB3 HIS 44 HB3 HIS 44 7.626 17.306 -7.501 284 HD1 HIS 44 HD1 HIS 44 7.880 15.906 -9.618 285 HD2 HIS 44 HD2 HIS 44 10.445 14.684 -6.567 286 HE1 HIS 44 HE1 HIS 44 9.484 14.246 -10.654 287 HE2 HIS 44 HE2 HIS 44 11.051 13.485 -8.807 288 H ILE 45 H ILE 45 7.487 17.075 -3.890 289 HA ILE 45 HA ILE 45 6.386 19.749 -4.152 290 HB ILE 45 HB ILE 45 5.052 17.702 -3.501 291 HG12 ILE 45 HG12 ILE 45 4.991 20.026 -1.555 292 HG13 ILE 45 HG13 ILE 45 4.279 20.051 -3.168 293 HG21 ILE 45 HG21 ILE 45 6.278 18.179 -0.774 294 HG22 ILE 45 HG22 ILE 45 6.783 16.877 -1.850 295 HG23 ILE 45 HG23 ILE 45 5.134 16.920 -1.235 296 HD11 ILE 45 HD11 ILE 45 2.970 17.965 -2.459 297 HD12 ILE 45 HD12 ILE 45 2.492 19.480 -1.696 298 HD13 ILE 45 HD13 ILE 45 3.491 18.325 -0.813 299 H SER 46 H SER 46 9.039 18.344 -2.560 300 HA SER 46 HA SER 46 9.186 19.724 -0.155 301 HB2 SER 46 HB2 SER 46 11.460 19.025 -2.030 302 HB3 SER 46 HB3 SER 46 11.622 19.426 -0.321 303 HG SER 46 HG SER 46 11.412 17.325 -0.156 304 H HIS 47 H HIS 47 10.006 20.797 -3.418 305 HA HIS 47 HA HIS 47 11.216 23.254 -2.615 306 HB2 HIS 47 HB2 HIS 47 10.074 22.298 -5.246 307 HB3 HIS 47 HB3 HIS 47 10.851 23.868 -5.045 308 HD1 HIS 47 HD1 HIS 47 11.592 20.163 -4.814 309 HD2 HIS 47 HD2 HIS 47 13.656 23.783 -4.928 310 HE1 HIS 47 HE1 HIS 47 14.042 19.581 -5.062 311 HE2 HIS 47 HE2 HIS 47 15.317 21.776 -5.126 312 H GLN 48 H GLN 48 8.000 22.208 -2.678 313 HA GLN 48 HA GLN 48 6.625 24.548 -3.446 314 HB2 GLN 48 HB2 GLN 48 5.630 22.243 -3.043 315 HB3 GLN 48 HB3 GLN 48 5.705 22.608 -1.319 316 HG2 GLN 48 HG2 GLN 48 3.506 23.229 -2.051 317 HG3 GLN 48 HG3 GLN 48 4.404 24.729 -1.826 318 HE21 GLN 48 HE21 GLN 48 4.657 22.448 -4.585 319 HE22 GLN 48 HE22 GLN 48 4.147 23.569 -5.753 320 H LEU 49 H LEU 49 7.383 23.370 -0.161 321 HA LEU 49 HA LEU 49 8.250 25.878 0.788 322 HB2 LEU 49 HB2 LEU 49 5.609 26.069 0.499 323 HB3 LEU 49 HB3 LEU 49 5.585 25.204 2.025 324 HG LEU 49 HG LEU 49 7.141 27.769 1.563 325 HD11 LEU 49 HD11 LEU 49 4.741 28.178 1.311 326 HD12 LEU 49 HD12 LEU 49 5.308 28.840 2.844 327 HD13 LEU 49 HD13 LEU 49 4.419 27.317 2.816 328 HD21 LEU 49 HD21 LEU 49 7.047 27.801 4.090 329 HD22 LEU 49 HD22 LEU 49 8.036 26.507 3.419 330 HD23 LEU 49 HD23 LEU 49 6.416 26.157 4.026 331 H ASN 50 H ASN 50 9.522 23.614 1.025 332 HA ASN 50 HA ASN 50 9.484 23.057 3.883 333 HB2 ASN 50 HB2 ASN 50 9.178 20.763 1.942 334 HB3 ASN 50 HB3 ASN 50 9.156 20.694 3.702 335 HD21 ASN 50 HD21 ASN 50 7.198 21.356 4.801 336 HD22 ASN 50 HD22 ASN 50 5.753 21.649 3.959 337 H LEU 51 H LEU 51 11.004 23.219 0.855 338 HA LEU 51 HA LEU 51 13.136 22.706 0.104 339 HB2 LEU 51 HB2 LEU 51 13.501 23.883 2.856 340 HB3 LEU 51 HB3 LEU 51 14.877 23.516 1.825 341 HG LEU 51 HG LEU 51 14.070 25.891 1.681 342 HD11 LEU 51 HD11 LEU 51 13.612 24.675 -1.029 343 HD12 LEU 51 HD12 LEU 51 15.188 24.492 -0.263 344 HD13 LEU 51 HD13 LEU 51 14.540 26.097 -0.571 345 HD21 LEU 51 HD21 LEU 51 11.621 25.167 1.885 346 HD22 LEU 51 HD22 LEU 51 11.709 24.785 0.163 347 HD23 LEU 51 HD23 LEU 51 11.981 26.436 0.716 348 H SER 52 H SER 52 14.019 22.063 3.425 349 HA SER 52 HA SER 52 15.422 19.703 2.885 350 HB2 SER 52 HB2 SER 52 15.375 19.321 5.306 351 HB3 SER 52 HB3 SER 52 15.688 21.022 4.960 352 HG SER 52 HG SER 52 14.033 20.540 6.590 353 H GLN 53 H GLN 53 14.844 17.626 2.627 354 HA GLN 53 HA GLN 53 12.171 16.921 2.109 355 HB2 GLN 53 HB2 GLN 53 14.031 15.723 1.097 356 HB3 GLN 53 HB3 GLN 53 14.580 15.178 2.682 357 HG2 GLN 53 HG2 GLN 53 12.645 13.812 2.988 358 HG3 GLN 53 HG3 GLN 53 11.816 14.560 1.625 359 HE21 GLN 53 HE21 GLN 53 11.920 11.864 1.416 360 HE22 GLN 53 HE22 GLN 53 13.123 11.358 0.331 361 H SER 54 H SER 54 14.253 16.196 4.903 362 HA SER 54 HA SER 54 12.690 14.509 6.357 363 HB2 SER 54 HB2 SER 54 13.889 15.172 8.264 364 HB3 SER 54 HB3 SER 54 14.973 15.582 6.935 365 HG SER 54 HG SER 54 14.825 17.345 8.288 366 H ASN 55 H ASN 55 12.093 17.893 5.766 367 HA ASN 55 HA ASN 55 10.285 18.341 7.901 368 HB2 ASN 55 HB2 ASN 55 10.663 19.728 5.246 369 HB3 ASN 55 HB3 ASN 55 9.524 20.285 6.470 370 HD21 ASN 55 HD21 ASN 55 10.804 22.267 6.804 371 HD22 ASN 55 HD22 ASN 55 12.277 22.213 7.645 372 H VAL 56 H VAL 56 9.762 17.374 4.516 373 HA VAL 56 HA VAL 56 6.907 17.411 4.748 374 HB VAL 56 HB VAL 56 8.710 16.126 2.682 375 HG11 VAL 56 HG11 VAL 56 6.563 15.054 2.567 376 HG12 VAL 56 HG12 VAL 56 6.584 16.268 1.290 377 HG13 VAL 56 HG13 VAL 56 5.718 16.585 2.793 378 HG21 VAL 56 HG21 VAL 56 7.222 18.768 2.781 379 HG22 VAL 56 HG22 VAL 56 8.026 18.131 1.346 380 HG23 VAL 56 HG23 VAL 56 8.972 18.547 2.775 381 H SER 57 H SER 57 9.389 14.899 4.960 382 HA SER 57 HA SER 57 7.705 12.654 4.948 383 HB2 SER 57 HB2 SER 57 10.149 12.495 4.748 384 HB3 SER 57 HB3 SER 57 10.326 13.050 6.413 385 HG SER 57 HG SER 57 9.916 10.586 5.538 386 H HIS 58 H HIS 58 9.178 14.231 7.792 387 HA HIS 58 HA HIS 58 7.794 12.836 9.754 388 HB2 HIS 58 HB2 HIS 58 8.624 15.745 9.887 389 HB3 HIS 58 HB3 HIS 58 8.356 14.661 11.253 390 HD1 HIS 58 HD1 HIS 58 11.090 15.784 11.213 391 HD2 HIS 58 HD2 HIS 58 10.139 12.392 8.985 392 HE1 HIS 58 HE1 HIS 58 13.273 14.580 10.778 393 HE2 HIS 58 HE2 HIS 58 12.714 12.513 9.414 394 H GLN 59 H GLN 59 6.845 15.781 8.021 395 HA GLN 59 HA GLN 59 4.518 16.297 9.549 396 HB2 GLN 59 HB2 GLN 59 5.730 17.902 7.990 397 HB3 GLN 59 HB3 GLN 59 4.929 17.069 6.658 398 HG2 GLN 59 HG2 GLN 59 3.539 18.941 7.221 399 HG3 GLN 59 HG3 GLN 59 2.732 17.509 7.855 400 HE21 GLN 59 HE21 GLN 59 1.667 19.040 9.431 401 HE22 GLN 59 HE22 GLN 59 2.529 19.527 10.809 402 H LEU 60 H LEU 60 4.861 14.838 6.299 403 HA LEU 60 HA LEU 60 2.202 14.320 5.813 404 HB2 LEU 60 HB2 LEU 60 3.913 14.004 4.116 405 HB3 LEU 60 HB3 LEU 60 4.621 12.677 5.029 406 HG LEU 60 HG LEU 60 2.622 11.322 4.701 407 HD11 LEU 60 HD11 LEU 60 0.798 12.810 4.723 408 HD12 LEU 60 HD12 LEU 60 0.874 12.318 3.036 409 HD13 LEU 60 HD13 LEU 60 1.530 13.879 3.526 410 HD21 LEU 60 HD21 LEU 60 4.379 11.384 2.933 411 HD22 LEU 60 HD22 LEU 60 3.454 12.631 2.096 412 HD23 LEU 60 HD23 LEU 60 2.780 11.012 2.290 413 H LYS 61 H LYS 61 4.367 12.659 7.981 414 HA LYS 61 HA LYS 61 2.865 10.254 8.242 415 HB2 LYS 61 HB2 LYS 61 4.921 11.609 9.989 416 HB3 LYS 61 HB3 LYS 61 4.151 10.093 10.455 417 HG2 LYS 61 HG2 LYS 61 4.943 9.027 8.397 418 HG3 LYS 61 HG3 LYS 61 5.659 10.547 7.863 419 HD2 LYS 61 HD2 LYS 61 7.183 10.540 9.774 420 HD3 LYS 61 HD3 LYS 61 6.422 9.081 10.407 421 HE2 LYS 61 HE2 LYS 61 7.922 9.330 7.782 422 HE3 LYS 61 HE3 LYS 61 8.474 8.477 9.223 423 HZ1 LYS 61 HZ1 LYS 61 7.514 6.718 8.266 424 HZ2 LYS 61 HZ2 LYS 61 6.570 7.662 7.215 425 HZ3 LYS 61 HZ3 LYS 61 6.052 7.389 8.810 426 H LEU 62 H LEU 62 2.832 13.348 9.961 427 HA LEU 62 HA LEU 62 1.069 12.597 12.033 428 HB2 LEU 62 HB2 LEU 62 1.180 15.352 10.811 429 HB3 LEU 62 HB3 LEU 62 0.840 14.911 12.484 430 HG LEU 62 HG LEU 62 3.489 14.648 11.035 431 HD11 LEU 62 HD11 LEU 62 2.724 16.225 13.507 432 HD12 LEU 62 HD12 LEU 62 2.808 16.915 11.886 433 HD13 LEU 62 HD13 LEU 62 4.265 16.278 12.650 434 HD21 LEU 62 HD21 LEU 62 4.254 13.923 13.390 435 HD22 LEU 62 HD22 LEU 62 3.374 12.733 12.435 436 HD23 LEU 62 HD23 LEU 62 2.548 13.618 13.717 437 H LEU 63 H LEU 63 0.508 13.710 8.738 438 HA LEU 63 HA LEU 63 -2.326 14.036 9.056 439 HB2 LEU 63 HB2 LEU 63 -0.890 13.564 6.444 440 HB3 LEU 63 HB3 LEU 63 -2.375 14.471 6.728 441 HG LEU 63 HG LEU 63 0.387 15.249 7.717 442 HD11 LEU 63 HD11 LEU 63 0.272 17.018 6.071 443 HD12 LEU 63 HD12 LEU 63 -1.377 16.569 5.636 444 HD13 LEU 63 HD13 LEU 63 -0.037 15.490 5.246 445 HD21 LEU 63 HD21 LEU 63 -0.888 17.427 8.220 446 HD22 LEU 63 HD22 LEU 63 -1.189 16.069 9.303 447 HD23 LEU 63 HD23 LEU 63 -2.360 16.471 8.046 448 H LYS 64 H LYS 64 -0.190 11.423 8.100 449 HA LYS 64 HA LYS 64 -2.132 9.723 6.946 450 HB2 LYS 64 HB2 LYS 64 0.283 9.383 6.639 451 HB3 LYS 64 HB3 LYS 64 0.452 9.004 8.354 452 HG2 LYS 64 HG2 LYS 64 -0.930 7.040 8.131 453 HG3 LYS 64 HG3 LYS 64 -1.375 7.476 6.481 454 HD2 LYS 64 HD2 LYS 64 0.876 7.111 5.700 455 HD3 LYS 64 HD3 LYS 64 1.476 6.928 7.349 456 HE2 LYS 64 HE2 LYS 64 1.089 4.756 6.055 457 HE3 LYS 64 HE3 LYS 64 0.323 4.856 7.640 458 HZ1 LYS 64 HZ1 LYS 64 -1.711 5.638 6.485 459 HZ2 LYS 64 HZ2 LYS 64 -1.272 4.044 6.097 460 HZ3 LYS 64 HZ3 LYS 64 -0.956 5.303 5.001 461 H SER 65 H SER 65 -1.430 10.544 10.221 462 HA SER 65 HA SER 65 -2.297 8.229 11.553 463 HB2 SER 65 HB2 SER 65 -2.412 9.565 13.501 464 HB3 SER 65 HB3 SER 65 -1.155 10.318 12.521 465 HG SER 65 HG SER 65 -2.532 11.920 13.194 466 H VAL 66 H VAL 66 -4.151 11.238 11.018 467 HA VAL 66 HA VAL 66 -6.629 10.061 11.778 468 HB VAL 66 HB VAL 66 -6.335 12.431 12.008 469 HG11 VAL 66 HG11 VAL 66 -6.048 13.869 9.973 470 HG12 VAL 66 HG12 VAL 66 -5.817 12.400 9.025 471 HG13 VAL 66 HG13 VAL 66 -4.669 12.819 10.296 472 HG21 VAL 66 HG21 VAL 66 -8.602 11.450 11.184 473 HG22 VAL 66 HG22 VAL 66 -8.203 12.219 9.648 474 HG23 VAL 66 HG23 VAL 66 -8.364 13.194 11.107 475 H HIS 67 H HIS 67 -4.783 9.498 9.120 476 HA HIS 67 HA HIS 67 -5.170 8.390 7.154 477 HB2 HIS 67 HB2 HIS 67 -8.070 8.093 7.914 478 HB3 HIS 67 HB3 HIS 67 -7.052 7.001 6.977 479 HD1 HIS 67 HD1 HIS 67 -8.585 6.928 10.060 480 HD2 HIS 67 HD2 HIS 67 -4.592 6.431 8.966 481 HE1 HIS 67 HE1 HIS 67 -7.479 5.656 11.948 482 HE2 HIS 67 HE2 HIS 67 -5.046 5.340 11.297 483 H LEU 68 H LEU 68 -5.737 11.324 7.575 484 HA LEU 68 HA LEU 68 -7.843 12.014 5.762 485 HB2 LEU 68 HB2 LEU 68 -7.168 13.569 7.503 486 HB3 LEU 68 HB3 LEU 68 -5.525 13.615 6.874 487 HG LEU 68 HG LEU 68 -6.290 14.688 4.826 488 HD11 LEU 68 HD11 LEU 68 -8.788 15.445 4.840 489 HD12 LEU 68 HD12 LEU 68 -9.020 14.129 5.989 490 HD13 LEU 68 HD13 LEU 68 -8.421 13.791 4.365 491 HD21 LEU 68 HD21 LEU 68 -7.622 16.056 7.174 492 HD22 LEU 68 HD22 LEU 68 -6.899 16.814 5.755 493 HD23 LEU 68 HD23 LEU 68 -5.873 16.017 6.947 494 H VAL 69 H VAL 69 -4.699 10.852 5.383 495 HA VAL 69 HA VAL 69 -4.730 11.474 2.490 496 HB VAL 69 HB VAL 69 -2.210 11.514 4.157 497 HG11 VAL 69 HG11 VAL 69 -1.343 12.668 2.121 498 HG12 VAL 69 HG12 VAL 69 -2.907 12.416 1.346 499 HG13 VAL 69 HG13 VAL 69 -1.905 11.031 1.781 500 HG21 VAL 69 HG21 VAL 69 -2.343 14.017 3.811 501 HG22 VAL 69 HG22 VAL 69 -3.541 13.372 4.933 502 HG23 VAL 69 HG23 VAL 69 -4.011 13.790 3.286 503 H LYS 70 H LYS 70 -3.611 9.940 1.207 504 HA LYS 70 HA LYS 70 -3.115 7.309 2.503 505 HB2 LYS 70 HB2 LYS 70 -4.361 7.817 -0.209 506 HB3 LYS 70 HB3 LYS 70 -4.089 6.246 0.547 507 HG2 LYS 70 HG2 LYS 70 -5.539 7.133 2.490 508 HG3 LYS 70 HG3 LYS 70 -6.016 8.419 1.383 509 HD2 LYS 70 HD2 LYS 70 -6.322 5.445 0.870 510 HD3 LYS 70 HD3 LYS 70 -7.623 6.548 1.314 511 HE2 LYS 70 HE2 LYS 70 -7.792 6.409 -1.034 512 HE3 LYS 70 HE3 LYS 70 -6.900 7.908 -0.780 513 HZ1 LYS 70 HZ1 LYS 70 -5.149 5.673 -0.872 514 HZ2 LYS 70 HZ2 LYS 70 -5.151 7.075 -1.830 515 HZ3 LYS 70 HZ3 LYS 70 -6.103 5.741 -2.274 516 H ALA 71 H ALA 71 -1.864 5.854 0.932 517 HA ALA 71 HA ALA 71 -0.055 7.206 -0.887 518 HB1 ALA 71 HB1 ALA 71 1.121 5.853 1.547 519 HB2 ALA 71 HB2 ALA 71 0.894 7.598 1.433 520 HB3 ALA 71 HB3 ALA 71 1.972 6.773 0.306 521 H LYS 72 H LYS 72 1.203 5.751 -2.127 522 HA LYS 72 HA LYS 72 0.808 2.872 -1.756 523 HB2 LYS 72 HB2 LYS 72 0.068 2.668 -4.163 524 HB3 LYS 72 HB3 LYS 72 -1.126 3.388 -3.084 525 HG2 LYS 72 HG2 LYS 72 -0.474 5.634 -3.816 526 HG3 LYS 72 HG3 LYS 72 0.786 4.952 -4.844 527 HD2 LYS 72 HD2 LYS 72 -1.009 3.675 -6.068 528 HD3 LYS 72 HD3 LYS 72 -2.207 4.569 -5.131 529 HE2 LYS 72 HE2 LYS 72 -1.247 6.699 -5.995 530 HE3 LYS 72 HE3 LYS 72 -0.128 5.766 -6.989 531 HZ1 LYS 72 HZ1 LYS 72 -2.598 6.560 -7.745 532 HZ2 LYS 72 HZ2 LYS 72 -2.871 4.953 -7.266 533 HZ3 LYS 72 HZ3 LYS 72 -1.715 5.299 -8.461 534 H ARG 73 H ARG 73 2.143 1.613 -3.252 535 HA ARG 73 HA ARG 73 4.694 2.977 -3.799 536 HB2 ARG 73 HB2 ARG 73 5.511 0.625 -4.165 537 HB3 ARG 73 HB3 ARG 73 4.929 0.957 -2.535 538 HG2 ARG 73 HG2 ARG 73 2.762 -0.072 -3.084 539 HG3 ARG 73 HG3 ARG 73 3.315 -0.377 -4.732 540 HD2 ARG 73 HD2 ARG 73 3.592 -2.412 -3.441 541 HD3 ARG 73 HD3 ARG 73 5.187 -1.749 -3.786 542 HE ARG 73 HE ARG 73 5.481 -1.457 -1.511 543 HH11 ARG 73 HH21 ARG 73 2.122 -1.756 -2.285 544 HH12 ARG 73 HH22 ARG 73 1.599 -1.757 -0.634 545 HH21 ARG 73 HH11 ARG 73 4.802 -1.448 0.658 546 HH22 ARG 73 HH12 ARG 73 3.116 -1.581 1.033 547 H GLN 74 H GLN 74 5.477 3.299 -5.806 548 HA GLN 74 HA GLN 74 4.351 1.912 -8.113 549 HB2 GLN 74 HB2 GLN 74 2.799 3.803 -7.797 550 HB3 GLN 74 HB3 GLN 74 4.161 4.924 -7.838 551 HG2 GLN 74 HG2 GLN 74 4.670 4.347 -10.116 552 HG3 GLN 74 HG3 GLN 74 3.538 2.996 -10.088 553 HE21 GLN 74 HE21 GLN 74 1.198 3.986 -9.150 554 HE22 GLN 74 HE22 GLN 74 0.667 5.318 -10.059 555 H GLY 75 H GLY 75 6.133 1.254 -9.107 556 HA2 GLY 75 HA2 GLY 75 8.267 1.224 -9.977 557 HA3 GLY 75 HA3 GLY 75 7.918 2.889 -10.430 558 H GLN 76 H GLN 76 8.628 1.125 -7.396 559 HA GLN 76 HA GLN 76 10.036 1.614 -5.655 560 HB2 GLN 76 HB2 GLN 76 11.758 2.950 -7.746 561 HB3 GLN 76 HB3 GLN 76 12.276 2.158 -6.258 562 HG2 GLN 76 HG2 GLN 76 11.280 0.014 -7.181 563 HG3 GLN 76 HG3 GLN 76 11.079 0.856 -8.716 564 HE21 GLN 76 HE21 GLN 76 13.753 2.332 -7.675 565 HE22 GLN 76 HE22 GLN 76 14.951 1.271 -8.240 566 H SER 77 H SER 77 8.167 3.834 -6.901 567 HA SER 77 HA SER 77 9.268 6.077 -5.285 568 HB2 SER 77 HB2 SER 77 9.270 6.443 -7.788 569 HB3 SER 77 HB3 SER 77 7.511 6.336 -7.730 570 HG SER 77 HG SER 77 7.533 8.330 -7.127 571 H MET 78 H MET 78 7.978 6.883 -3.762 572 HA MET 78 HA MET 78 5.335 5.667 -3.359 573 HB2 MET 78 HB2 MET 78 7.060 7.425 -1.600 574 HB3 MET 78 HB3 MET 78 5.483 6.785 -1.137 575 HG2 MET 78 HG2 MET 78 7.115 5.270 -0.246 576 HG3 MET 78 HG3 MET 78 6.408 4.468 -1.649 577 HE1 MET 78 HE1 MET 78 10.113 3.328 -1.600 578 HE2 MET 78 HE2 MET 78 8.506 2.781 -2.078 579 HE3 MET 78 HE3 MET 78 8.774 3.413 -0.454 580 H ILE 79 H ILE 79 3.911 6.689 -4.692 581 HA ILE 79 HA ILE 79 3.743 9.644 -4.648 582 HB ILE 79 HB ILE 79 2.432 7.601 -6.457 583 HG12 ILE 79 HG12 ILE 79 4.566 9.652 -7.097 584 HG13 ILE 79 HG13 ILE 79 4.941 7.982 -6.672 585 HG21 ILE 79 HG21 ILE 79 1.912 9.723 -7.785 586 HG22 ILE 79 HG22 ILE 79 2.333 10.622 -6.327 587 HG23 ILE 79 HG23 ILE 79 0.978 9.493 -6.307 588 HD11 ILE 79 HD11 ILE 79 3.136 8.825 -8.960 589 HD12 ILE 79 HD12 ILE 79 3.603 7.173 -8.558 590 HD13 ILE 79 HD13 ILE 79 4.815 8.317 -9.135 591 H TYR 80 H TYR 80 1.821 10.686 -4.102 592 HA TYR 80 HA TYR 80 -0.415 9.091 -3.043 593 HB2 TYR 80 HB2 TYR 80 -0.386 10.550 -0.973 594 HB3 TYR 80 HB3 TYR 80 0.909 9.358 -1.073 595 HD1 TYR 80 HD1 TYR 80 3.175 10.096 -1.999 596 HD2 TYR 80 HD2 TYR 80 0.112 12.869 -0.821 597 HE1 TYR 80 HE1 TYR 80 4.864 11.906 -1.867 598 HE2 TYR 80 HE2 TYR 80 1.803 14.678 -0.689 599 HH TYR 80 HH TYR 80 4.666 14.499 -0.291 600 H SER 81 H SER 81 -2.032 10.843 -2.035 601 HA SER 81 HA SER 81 -2.193 13.376 -3.312 602 HB2 SER 81 HB2 SER 81 -4.033 12.910 -4.870 603 HB3 SER 81 HB3 SER 81 -2.602 11.977 -5.304 604 HG SER 81 HG SER 81 -4.820 11.056 -3.793 605 H LEU 82 H LEU 82 -5.028 13.534 -3.493 606 HA LEU 82 HA LEU 82 -5.702 13.598 -0.650 607 HB2 LEU 82 HB2 LEU 82 -7.468 14.429 -2.953 608 HB3 LEU 82 HB3 LEU 82 -7.530 14.970 -1.276 609 HG LEU 82 HG LEU 82 -5.322 15.548 -3.271 610 HD11 LEU 82 HD11 LEU 82 -7.186 17.458 -1.841 611 HD12 LEU 82 HD12 LEU 82 -7.515 16.820 -3.453 612 HD13 LEU 82 HD13 LEU 82 -6.089 17.821 -3.174 613 HD21 LEU 82 HD21 LEU 82 -4.553 17.071 -1.328 614 HD22 LEU 82 HD22 LEU 82 -4.236 15.346 -1.173 615 HD23 LEU 82 HD23 LEU 82 -5.587 16.075 -0.306 616 H ASP 83 H ASP 83 -7.956 12.899 -0.043 617 HA ASP 83 HA ASP 83 -8.270 10.137 -0.496 618 HB2 ASP 83 HB2 ASP 83 -9.115 11.381 1.499 619 HB3 ASP 83 HB3 ASP 83 -10.371 12.083 0.481 620 H ASP 84 H ASP 84 -11.367 11.084 -0.800 621 HA ASP 84 HA ASP 84 -11.486 10.303 -3.609 622 HB2 ASP 84 HB2 ASP 84 -13.779 11.026 -1.782 623 HB3 ASP 84 HB3 ASP 84 -13.839 10.078 -3.267 624 H ILE 85 H ILE 85 -14.049 11.821 -3.866 625 HA ILE 85 HA ILE 85 -12.886 14.344 -4.844 626 HB ILE 85 HB ILE 85 -15.139 14.564 -5.957 627 HG12 ILE 85 HG12 ILE 85 -15.471 11.672 -5.123 628 HG13 ILE 85 HG13 ILE 85 -16.252 13.006 -4.274 629 HG21 ILE 85 HG21 ILE 85 -13.208 13.681 -7.172 630 HG22 ILE 85 HG22 ILE 85 -14.654 12.782 -7.631 631 HG23 ILE 85 HG23 ILE 85 -13.495 12.074 -6.506 632 HD11 ILE 85 HD11 ILE 85 -16.589 12.298 -7.204 633 HD12 ILE 85 HD12 ILE 85 -17.295 13.716 -6.429 634 HD13 ILE 85 HD13 ILE 85 -17.796 12.100 -5.933 635 H HIS 86 H HIS 86 -14.036 13.354 -2.004 636 HA HIS 86 HA HIS 86 -16.089 15.255 -1.438 637 HB2 HIS 86 HB2 HIS 86 -14.295 13.776 0.502 638 HB3 HIS 86 HB3 HIS 86 -15.841 14.542 0.871 639 HD1 HIS 86 HD1 HIS 86 -15.000 11.361 0.929 640 HD2 HIS 86 HD2 HIS 86 -17.463 13.302 -1.818 641 HE1 HIS 86 HE1 HIS 86 -16.464 9.574 -0.105 642 HE2 HIS 86 HE2 HIS 86 -17.973 10.740 -1.782 643 H VAL 87 H VAL 87 -13.104 15.114 0.462 644 HA VAL 87 HA VAL 87 -13.057 17.706 1.288 645 HB VAL 87 HB VAL 87 -10.568 17.453 1.484 646 HG11 VAL 87 HG11 VAL 87 -10.705 15.427 2.963 647 HG12 VAL 87 HG12 VAL 87 -12.325 15.131 2.330 648 HG13 VAL 87 HG13 VAL 87 -11.993 16.597 3.253 649 HG21 VAL 87 HG21 VAL 87 -9.627 15.242 0.817 650 HG22 VAL 87 HG22 VAL 87 -10.170 16.184 -0.572 651 HG23 VAL 87 HG23 VAL 87 -11.158 14.853 0.033 652 H ALA 88 H ALA 88 -12.505 16.586 -1.909 653 HA ALA 88 HA ALA 88 -10.889 18.735 -2.856 654 HB1 ALA 88 HB1 ALA 88 -11.586 17.955 -5.100 655 HB2 ALA 88 HB2 ALA 88 -12.768 16.884 -4.346 656 HB3 ALA 88 HB3 ALA 88 -11.044 16.623 -4.079 657 H THR 89 H THR 89 -14.334 18.040 -3.491 658 HA THR 89 HA THR 89 -14.959 20.537 -4.596 659 HB THR 89 HB THR 89 -16.822 18.737 -3.028 660 HG1 THR 89 HG1 THR 89 -15.501 18.414 -5.387 661 HG21 THR 89 HG21 THR 89 -18.478 19.694 -4.684 662 HG22 THR 89 HG22 THR 89 -17.225 20.833 -5.177 663 HG23 THR 89 HG23 THR 89 -17.844 20.862 -3.526 664 H MET 90 H MET 90 -15.344 19.365 -1.254 665 HA MET 90 HA MET 90 -16.482 21.634 -0.120 666 HB2 MET 90 HB2 MET 90 -14.588 19.564 0.996 667 HB3 MET 90 HB3 MET 90 -15.256 20.854 1.994 668 HG2 MET 90 HG2 MET 90 -16.635 18.827 2.165 669 HG3 MET 90 HG3 MET 90 -17.541 20.130 1.401 670 HE1 MET 90 HE1 MET 90 -19.146 19.404 -0.147 671 HE2 MET 90 HE2 MET 90 -18.774 18.701 -1.720 672 HE3 MET 90 HE3 MET 90 -18.052 20.240 -1.253 673 H LEU 91 H LEU 91 -13.223 21.066 -1.196 674 HA LEU 91 HA LEU 91 -11.864 23.053 0.251 675 HB2 LEU 91 HB2 LEU 91 -10.985 21.200 -1.377 676 HB3 LEU 91 HB3 LEU 91 -11.195 22.422 -2.623 677 HG LEU 91 HG LEU 91 -9.556 22.786 -0.097 678 HD11 LEU 91 HD11 LEU 91 -8.607 22.416 -2.951 679 HD12 LEU 91 HD12 LEU 91 -8.664 21.113 -1.764 680 HD13 LEU 91 HD13 LEU 91 -7.611 22.502 -1.498 681 HD21 LEU 91 HD21 LEU 91 -10.225 24.942 -0.766 682 HD22 LEU 91 HD22 LEU 91 -10.162 24.537 -2.481 683 HD23 LEU 91 HD23 LEU 91 -8.670 24.750 -1.567 684 H LYS 92 H LYS 92 -13.147 23.235 -3.078 685 HA LYS 92 HA LYS 92 -12.742 26.016 -3.360 686 HB2 LYS 92 HB2 LYS 92 -14.778 24.281 -4.775 687 HB3 LYS 92 HB3 LYS 92 -14.160 25.838 -5.328 688 HG2 LYS 92 HG2 LYS 92 -11.829 24.768 -5.232 689 HG3 LYS 92 HG3 LYS 92 -12.664 23.223 -5.077 690 HD2 LYS 92 HD2 LYS 92 -13.112 25.203 -7.331 691 HD3 LYS 92 HD3 LYS 92 -12.079 23.780 -7.443 692 HE2 LYS 92 HE2 LYS 92 -14.121 23.037 -8.347 693 HE3 LYS 92 HE3 LYS 92 -14.192 22.458 -6.685 694 HZ1 LYS 92 HZ1 LYS 92 -15.824 24.400 -8.010 695 HZ2 LYS 92 HZ2 LYS 92 -15.192 24.985 -6.547 696 HZ3 LYS 92 HZ3 LYS 92 -16.106 23.555 -6.565 697 H GLN 93 H GLN 93 -15.762 24.208 -2.765 698 HA GLN 93 HA GLN 93 -17.516 26.307 -2.538 699 HB2 GLN 93 HB2 GLN 93 -17.428 23.690 -1.032 700 HB3 GLN 93 HB3 GLN 93 -18.785 24.812 -0.928 701 HG2 GLN 93 HG2 GLN 93 -19.056 24.699 -3.385 702 HG3 GLN 93 HG3 GLN 93 -17.716 23.558 -3.475 703 HE21 GLN 93 HE21 GLN 93 -19.474 23.053 -0.610 704 HE22 GLN 93 HE22 GLN 93 -20.449 21.772 -1.149 705 H ALA 94 H ALA 94 -15.106 25.274 -0.205 706 HA ALA 94 HA ALA 94 -16.178 26.664 2.033 707 HB1 ALA 94 HB1 ALA 94 -13.323 25.838 1.451 708 HB2 ALA 94 HB2 ALA 94 -14.533 24.853 2.273 709 HB3 ALA 94 HB3 ALA 94 -13.949 26.338 3.023 710 H ILE 95 H ILE 95 -13.277 27.439 0.096 711 HA ILE 95 HA ILE 95 -12.959 30.040 1.089 712 HB ILE 95 HB ILE 95 -11.142 28.962 -0.051 713 HG12 ILE 95 HG12 ILE 95 -12.081 31.155 -1.913 714 HG13 ILE 95 HG13 ILE 95 -11.442 31.481 -0.302 715 HG21 ILE 95 HG21 ILE 95 -11.326 28.573 -2.553 716 HG22 ILE 95 HG22 ILE 95 -13.058 28.862 -2.389 717 HG23 ILE 95 HG23 ILE 95 -12.309 27.503 -1.553 718 HD11 ILE 95 HD11 ILE 95 -9.318 30.495 -0.859 719 HD12 ILE 95 HD12 ILE 95 -9.730 31.600 -2.170 720 HD13 ILE 95 HD13 ILE 95 -9.947 29.863 -2.381 721 H HIS 96 H HIS 96 -15.356 28.802 -0.955 722 HA HIS 96 HA HIS 96 -15.873 31.248 -2.428 723 HB2 HIS 96 HB2 HIS 96 -17.374 28.645 -2.116 724 HB3 HIS 96 HB3 HIS 96 -18.011 30.004 -3.037 725 HD1 HIS 96 HD1 HIS 96 -17.628 27.739 -4.789 726 HD2 HIS 96 HD2 HIS 96 -14.372 30.161 -3.828 727 HE1 HIS 96 HE1 HIS 96 -15.909 27.388 -6.612 728 HE2 HIS 96 HE2 HIS 96 -13.918 28.853 -6.037 729 H HIS 97 H HIS 97 -17.494 29.464 0.208 730 HA HIS 97 HA HIS 97 -19.517 31.383 0.652 731 HB2 HIS 97 HB2 HIS 97 -19.694 29.117 1.540 732 HB3 HIS 97 HB3 HIS 97 -18.286 29.386 2.569 733 HD1 HIS 97 HD1 HIS 97 -21.884 30.444 2.140 734 HD2 HIS 97 HD2 HIS 97 -18.800 30.889 4.911 735 HE1 HIS 97 HE1 HIS 97 -22.917 31.495 4.197 736 HE2 HIS 97 HE2 HIS 97 -21.053 31.774 5.897 737 H ALA 98 H ALA 98 -16.183 31.510 1.234 738 HA ALA 98 HA ALA 98 -16.222 33.196 3.561 739 HB1 ALA 98 HB1 ALA 98 -14.273 31.773 2.898 740 HB2 ALA 98 HB2 ALA 98 -13.848 33.464 3.166 741 HB3 ALA 98 HB3 ALA 98 -14.010 32.845 1.523 742 H ASN 99 H ASN 99 -16.587 33.669 0.165 743 HA ASN 99 HA ASN 99 -16.931 36.560 0.569 744 HB2 ASN 99 HB2 ASN 99 -15.280 35.493 -1.724 745 HB3 ASN 99 HB3 ASN 99 -15.517 37.173 -1.250 746 HD21 ASN 99 HD21 ASN 99 -13.075 35.134 -1.317 747 HD22 ASN 99 HD22 ASN 99 -12.315 35.450 0.168 748 H HIS 100 H HIS 100 -19.103 35.271 0.408 749 HA HIS 100 HA HIS 100 -19.901 34.405 -2.182 750 HB2 HIS 100 HB2 HIS 100 -20.890 33.843 0.184 751 HB3 HIS 100 HB3 HIS 100 -21.879 35.273 -0.080 752 HD1 HIS 100 HD1 HIS 100 -21.475 31.743 -1.121 753 HD2 HIS 100 HD2 HIS 100 -23.673 35.063 -2.359 754 HE1 HIS 100 HE1 HIS 100 -23.296 30.866 -2.644 755 HE2 HIS 100 HE2 HIS 100 -24.644 32.877 -3.413 756 HA PRO 101 HA PRO 101 -22.078 38.825 -2.119 757 HB2 PRO 101 HB2 PRO 101 -19.599 40.261 -1.196 758 HB3 PRO 101 HB3 PRO 101 -21.302 40.665 -0.911 759 HG2 PRO 101 HG2 PRO 101 -19.854 39.577 1.016 760 HG3 PRO 101 HG3 PRO 101 -21.527 39.049 0.755 761 HD2 PRO 101 HD2 PRO 101 -18.966 37.678 -0.042 762 HD3 PRO 101 HD3 PRO 101 -20.453 36.971 0.624 763 H LYS 102 H LYS 102 -22.042 39.878 -4.062 764 HA LYS 102 HA LYS 102 -21.417 40.383 -6.203 765 HB2 LYS 102 HB2 LYS 102 -19.881 41.922 -5.094 766 HB3 LYS 102 HB3 LYS 102 -18.690 40.636 -4.912 767 HG2 LYS 102 HG2 LYS 102 -18.347 40.481 -7.266 768 HG3 LYS 102 HG3 LYS 102 -19.785 41.442 -7.613 769 HD2 LYS 102 HD2 LYS 102 -17.679 42.751 -7.877 770 HD3 LYS 102 HD3 LYS 102 -18.740 43.424 -6.641 771 HE2 LYS 102 HE2 LYS 102 -16.228 43.173 -6.060 772 HE3 LYS 102 HE3 LYS 102 -17.402 42.598 -4.877 773 HZ1 LYS 102 HZ1 LYS 102 -15.933 40.956 -6.866 774 HZ2 LYS 102 HZ2 LYS 102 -17.171 40.365 -5.864 775 HZ3 LYS 102 HZ3 LYS 102 -15.726 40.940 -5.181 776 H GLU 103 H GLU 103 -21.219 39.113 -7.923 777 HA GLU 103 HA GLU 103 -20.392 36.433 -7.760 778 HB2 GLU 103 HB2 GLU 103 -21.910 37.520 -9.508 779 HB3 GLU 103 HB3 GLU 103 -20.432 38.058 -10.307 780 HG2 GLU 103 HG2 GLU 103 -20.982 35.988 -11.344 781 HG3 GLU 103 HG3 GLU 103 -19.679 35.608 -10.219 782 H ASN 9 H ASN 9 -4.493 39.493 2.467 783 HA ASN 9 HA ASN 9 -2.226 38.824 1.093 784 HB2 ASN 9 HB2 ASN 9 -1.387 41.111 1.724 785 HB3 ASN 9 HB3 ASN 9 -1.539 40.645 3.417 786 HD21 ASN 9 HD21 ASN 9 0.809 41.018 1.217 787 HD22 ASN 9 HD22 ASN 9 1.847 39.742 1.639 788 H THR 10 H THR 10 -2.561 39.591 4.553 789 HA THR 10 HA THR 10 -2.267 36.753 5.233 790 HB THR 10 HB THR 10 -2.570 39.097 7.115 791 HG1 THR 10 HG1 THR 10 -0.383 38.137 5.648 792 HG21 THR 10 HG21 THR 10 -2.853 36.906 8.140 793 HG22 THR 10 HG22 THR 10 -1.285 37.559 8.612 794 HG23 THR 10 HG23 THR 10 -1.382 36.318 7.364 795 H ASP 11 H ASP 11 -4.375 39.365 6.422 796 HA ASP 11 HA ASP 11 -6.312 38.042 7.699 797 HB2 ASP 11 HB2 ASP 11 -7.918 39.764 6.984 798 HB3 ASP 11 HB3 ASP 11 -6.349 40.470 7.366 799 H THR 12 H THR 12 -5.950 38.089 4.197 800 HA THR 12 HA THR 12 -8.396 37.026 3.409 801 HB THR 12 HB THR 12 -7.033 36.006 1.500 802 HG1 THR 12 HG1 THR 12 -4.855 36.747 1.478 803 HG21 THR 12 HG21 THR 12 -6.448 38.244 0.592 804 HG22 THR 12 HG22 THR 12 -6.667 38.936 2.200 805 HG23 THR 12 HG23 THR 12 -8.042 38.236 1.346 806 H LEU 13 H LEU 13 -5.410 35.089 3.738 807 HA LEU 13 HA LEU 13 -6.819 32.622 3.844 808 HB2 LEU 13 HB2 LEU 13 -3.982 33.439 4.464 809 HB3 LEU 13 HB3 LEU 13 -4.532 31.787 4.738 810 HG LEU 13 HG LEU 13 -5.188 31.582 2.391 811 HD11 LEU 13 HD11 LEU 13 -4.400 33.494 0.845 812 HD12 LEU 13 HD12 LEU 13 -4.355 34.484 2.303 813 HD13 LEU 13 HD13 LEU 13 -5.875 33.763 1.771 814 HD21 LEU 13 HD21 LEU 13 -2.992 31.475 1.453 815 HD22 LEU 13 HD22 LEU 13 -2.789 31.193 3.182 816 HD23 LEU 13 HD23 LEU 13 -2.408 32.773 2.496 817 H GLU 14 H GLU 14 -5.107 34.462 6.393 818 HA GLU 14 HA GLU 14 -5.487 32.923 8.573 819 HB2 GLU 14 HB2 GLU 14 -4.446 35.222 8.490 820 HB3 GLU 14 HB3 GLU 14 -6.075 35.888 8.604 821 HG2 GLU 14 HG2 GLU 14 -6.435 34.779 10.734 822 HG3 GLU 14 HG3 GLU 14 -4.889 33.942 10.603 823 H ARG 15 H ARG 15 -8.011 34.541 6.796 824 HA ARG 15 HA ARG 15 -10.002 34.233 8.880 825 HB2 ARG 15 HB2 ARG 15 -10.013 36.055 7.104 826 HB3 ARG 15 HB3 ARG 15 -10.494 34.806 5.955 827 HG2 ARG 15 HG2 ARG 15 -12.407 34.243 7.514 828 HG3 ARG 15 HG3 ARG 15 -11.982 35.680 8.445 829 HD2 ARG 15 HD2 ARG 15 -12.375 37.108 6.526 830 HD3 ARG 15 HD3 ARG 15 -12.621 35.709 5.484 831 HE ARG 15 HE ARG 15 -14.782 35.527 6.317 832 HH11 ARG 15 HH21 ARG 15 -12.843 37.593 8.305 833 HH12 ARG 15 HH22 ARG 15 -14.172 38.138 9.273 834 HH21 ARG 15 HH11 ARG 15 -16.527 36.229 7.589 835 HH22 ARG 15 HH12 ARG 15 -16.258 37.367 8.867 836 H VAL 16 H VAL 16 -9.094 32.605 5.870 837 HA VAL 16 HA VAL 16 -11.244 30.810 5.702 838 HB VAL 16 HB VAL 16 -8.369 30.332 4.876 839 HG11 VAL 16 HG11 VAL 16 -9.575 28.272 4.768 840 HG12 VAL 16 HG12 VAL 16 -9.576 28.910 3.124 841 HG13 VAL 16 HG13 VAL 16 -11.015 29.067 4.132 842 HG21 VAL 16 HG21 VAL 16 -10.668 31.470 3.259 843 HG22 VAL 16 HG22 VAL 16 -8.991 31.293 2.743 844 HG23 VAL 16 HG23 VAL 16 -9.408 32.457 4.001 845 H THR 17 H THR 17 -8.223 30.661 7.522 846 HA THR 17 HA THR 17 -8.641 27.964 8.434 847 HB THR 17 HB THR 17 -6.628 28.220 9.607 848 HG1 THR 17 HG1 THR 17 -7.504 30.171 10.683 849 HG21 THR 17 HG21 THR 17 -6.359 30.377 7.503 850 HG22 THR 17 HG22 THR 17 -6.483 28.666 7.093 851 HG23 THR 17 HG23 THR 17 -5.125 29.245 8.058 852 H GLU 18 H GLU 18 -9.588 31.133 9.462 853 HA GLU 18 HA GLU 18 -10.137 30.530 12.194 854 HB2 GLU 18 HB2 GLU 18 -9.852 32.832 11.280 855 HB3 GLU 18 HB3 GLU 18 -11.381 32.657 10.429 856 HG2 GLU 18 HG2 GLU 18 -11.225 32.208 13.412 857 HG3 GLU 18 HG3 GLU 18 -11.366 33.834 12.759 858 H ILE 19 H ILE 19 -11.683 29.740 9.254 859 HA ILE 19 HA ILE 19 -14.377 29.560 10.177 860 HB ILE 19 HB ILE 19 -13.005 28.085 7.916 861 HG12 ILE 19 HG12 ILE 19 -14.726 30.578 7.830 862 HG13 ILE 19 HG13 ILE 19 -12.963 30.618 7.842 863 HG21 ILE 19 HG21 ILE 19 -15.918 28.512 8.636 864 HG22 ILE 19 HG22 ILE 19 -15.070 26.972 8.489 865 HG23 ILE 19 HG23 ILE 19 -15.379 27.948 7.054 866 HD11 ILE 19 HD11 ILE 19 -14.740 29.318 5.759 867 HD12 ILE 19 HD12 ILE 19 -12.986 29.135 5.809 868 HD13 ILE 19 HD13 ILE 19 -13.700 30.725 5.536 869 H PHE 20 H PHE 20 -11.959 27.005 9.542 870 HA PHE 20 HA PHE 20 -13.456 24.892 10.598 871 HB2 PHE 20 HB2 PHE 20 -10.440 25.094 10.633 872 HB3 PHE 20 HB3 PHE 20 -11.416 23.627 10.583 873 HD1 PHE 20 HD1 PHE 20 -13.254 23.652 8.601 874 HD2 PHE 20 HD2 PHE 20 -9.534 25.799 8.585 875 HE1 PHE 20 HE1 PHE 20 -13.322 23.752 6.125 876 HE2 PHE 20 HE2 PHE 20 -9.604 25.901 6.109 877 HZ PHE 20 HZ PHE 20 -11.497 24.876 4.878 878 H LYS 21 H LYS 21 -10.590 26.330 12.170 879 HA LYS 21 HA LYS 21 -10.773 25.170 14.612 880 HB2 LYS 21 HB2 LYS 21 -8.974 26.727 13.916 881 HB3 LYS 21 HB3 LYS 21 -10.078 28.080 14.160 882 HG2 LYS 21 HG2 LYS 21 -10.280 27.570 16.519 883 HG3 LYS 21 HG3 LYS 21 -9.360 26.079 16.320 884 HD2 LYS 21 HD2 LYS 21 -7.360 27.324 15.740 885 HD3 LYS 21 HD3 LYS 21 -8.259 28.842 15.730 886 HE2 LYS 21 HE2 LYS 21 -6.990 28.536 17.845 887 HE3 LYS 21 HE3 LYS 21 -8.730 28.601 18.128 888 HZ1 LYS 21 HZ1 LYS 21 -7.553 26.777 19.312 889 HZ2 LYS 21 HZ2 LYS 21 -7.214 26.074 17.803 890 HZ3 LYS 21 HZ3 LYS 21 -8.824 26.252 18.315 891 H ALA 22 H ALA 22 -12.745 27.858 13.461 892 HA ALA 22 HA ALA 22 -13.820 28.646 15.942 893 HB1 ALA 22 HB1 ALA 22 -14.103 30.108 14.079 894 HB2 ALA 22 HB2 ALA 22 -15.716 29.551 14.522 895 HB3 ALA 22 HB3 ALA 22 -14.896 28.852 13.127 896 H LEU 23 H LEU 23 -14.466 25.897 13.956 897 HA LEU 23 HA LEU 23 -17.111 25.356 14.936 898 HB2 LEU 23 HB2 LEU 23 -15.137 23.406 13.729 899 HB3 LEU 23 HB3 LEU 23 -16.886 23.223 13.824 900 HG LEU 23 HG LEU 23 -15.489 25.455 12.317 901 HD11 LEU 23 HD11 LEU 23 -15.954 24.208 10.294 902 HD12 LEU 23 HD12 LEU 23 -16.789 22.953 11.209 903 HD13 LEU 23 HD13 LEU 23 -15.047 23.164 11.388 904 HD21 LEU 23 HD21 LEU 23 -17.834 25.501 11.214 905 HD22 LEU 23 HD22 LEU 23 -17.678 26.183 12.828 906 HD23 LEU 23 HD23 LEU 23 -18.362 24.572 12.615 907 H GLY 24 H GLY 24 -14.301 25.486 16.550 908 HA2 GLY 24 HA2 GLY 24 -14.079 23.096 17.990 909 HA3 GLY 24 HA3 GLY 24 -13.589 24.681 18.580 910 H ASP 25 H ASP 25 -14.317 24.048 20.692 911 HA ASP 25 HA ASP 25 -15.837 23.873 22.410 912 HB2 ASP 25 HB2 ASP 25 -17.526 25.591 20.577 913 HB3 ASP 25 HB3 ASP 25 -17.686 25.446 22.327 914 H TYR 26 H TYR 26 -16.322 21.690 22.326 915 HA TYR 26 HA TYR 26 -17.897 20.327 20.525 916 HB2 TYR 26 HB2 TYR 26 -18.059 19.713 23.470 917 HB3 TYR 26 HB3 TYR 26 -18.008 18.598 22.105 918 HD1 TYR 26 HD1 TYR 26 -16.030 20.905 24.209 919 HD2 TYR 26 HD2 TYR 26 -15.911 17.989 21.057 920 HE1 TYR 26 HE1 TYR 26 -13.562 20.781 24.417 921 HE2 TYR 26 HE2 TYR 26 -13.441 17.865 21.266 922 HH TYR 26 HH TYR 26 -11.598 20.032 22.559 923 H ASN 27 H ASN 27 -19.069 21.478 23.689 924 HA ASN 27 HA ASN 27 -21.714 20.933 23.484 925 HB2 ASN 27 HB2 ASN 27 -20.534 22.034 25.418 926 HB3 ASN 27 HB3 ASN 27 -20.690 23.564 24.557 927 HD21 ASN 27 HD21 ASN 27 -23.129 23.906 23.728 928 HD22 ASN 27 HD22 ASN 27 -24.318 23.570 24.892 929 H ARG 28 H ARG 28 -20.022 23.556 21.853 930 HA ARG 28 HA ARG 28 -22.372 24.960 21.044 931 HB2 ARG 28 HB2 ARG 28 -20.066 25.952 21.185 932 HB3 ARG 28 HB3 ARG 28 -19.644 25.030 19.742 933 HG2 ARG 28 HG2 ARG 28 -21.271 26.191 18.417 934 HG3 ARG 28 HG3 ARG 28 -22.000 26.931 19.843 935 HD2 ARG 28 HD2 ARG 28 -20.442 28.437 18.508 936 HD3 ARG 28 HD3 ARG 28 -20.082 28.303 20.227 937 HE ARG 28 HE ARG 28 -18.625 26.345 18.772 938 HH11 ARG 28 HH21 ARG 28 -18.821 29.739 19.411 939 HH12 ARG 28 HH22 ARG 28 -17.127 30.020 19.183 940 HH21 ARG 28 HH11 ARG 28 -16.402 26.705 18.472 941 HH22 ARG 28 HH12 ARG 28 -15.759 28.304 18.647 942 H ILE 29 H ILE 29 -20.297 22.532 19.505 943 HA ILE 29 HA ILE 29 -21.430 22.597 16.943 944 HB ILE 29 HB ILE 29 -20.301 20.200 18.409 945 HG12 ILE 29 HG12 ILE 29 -18.922 22.176 16.568 946 HG13 ILE 29 HG13 ILE 29 -18.814 22.232 18.327 947 HG21 ILE 29 HG21 ILE 29 -19.778 19.448 16.076 948 HG22 ILE 29 HG22 ILE 29 -20.700 20.822 15.467 949 HG23 ILE 29 HG23 ILE 29 -21.508 19.556 16.391 950 HD11 ILE 29 HD11 ILE 29 -17.990 19.825 18.233 951 HD12 ILE 29 HD12 ILE 29 -16.883 21.028 17.569 952 HD13 ILE 29 HD13 ILE 29 -17.853 20.030 16.486 953 H ARG 30 H ARG 30 -22.592 21.215 19.928 954 HA ARG 30 HA ARG 30 -24.468 19.394 18.847 955 HB2 ARG 30 HB2 ARG 30 -24.859 20.881 21.441 956 HB3 ARG 30 HB3 ARG 30 -25.367 19.245 21.025 957 HG2 ARG 30 HG2 ARG 30 -22.516 20.208 21.408 958 HG3 ARG 30 HG3 ARG 30 -23.412 19.125 22.472 959 HD2 ARG 30 HD2 ARG 30 -22.427 18.590 19.666 960 HD3 ARG 30 HD3 ARG 30 -22.042 17.708 21.140 961 HE ARG 30 HE ARG 30 -24.405 17.375 19.502 962 HH11 ARG 30 HH21 ARG 30 -22.970 17.037 22.632 963 HH12 ARG 30 HH22 ARG 30 -24.019 15.751 23.127 964 HH21 ARG 30 HH11 ARG 30 -25.780 15.684 20.140 965 HH22 ARG 30 HH12 ARG 30 -25.613 14.986 21.716 966 H ILE 31 H ILE 31 -24.508 22.855 19.270 967 HA ILE 31 HA ILE 31 -27.359 23.140 18.923 968 HB ILE 31 HB ILE 31 -25.044 25.079 18.829 969 HG12 ILE 31 HG12 ILE 31 -26.184 25.971 20.846 970 HG13 ILE 31 HG13 ILE 31 -27.405 24.709 20.698 971 HG21 ILE 31 HG21 ILE 31 -26.882 26.847 18.784 972 HG22 ILE 31 HG22 ILE 31 -27.982 25.564 18.282 973 HG23 ILE 31 HG23 ILE 31 -26.610 25.999 17.263 974 HD11 ILE 31 HD11 ILE 31 -25.388 24.337 22.316 975 HD12 ILE 31 HD12 ILE 31 -24.488 23.969 20.846 976 HD13 ILE 31 HD13 ILE 31 -25.904 23.009 21.280 977 H MET 32 H MET 32 -24.560 22.851 16.879 978 HA MET 32 HA MET 32 -25.723 23.910 14.501 979 HB2 MET 32 HB2 MET 32 -23.238 23.520 14.986 980 HB3 MET 32 HB3 MET 32 -23.542 21.825 14.607 981 HG2 MET 32 HG2 MET 32 -22.824 22.822 12.558 982 HG3 MET 32 HG3 MET 32 -24.573 22.648 12.414 983 HE1 MET 32 HE1 MET 32 -24.796 24.253 10.562 984 HE2 MET 32 HE2 MET 32 -23.063 24.568 10.489 985 HE3 MET 32 HE3 MET 32 -24.201 25.914 10.517 986 H GLU 33 H GLU 33 -25.278 20.585 15.706 987 HA GLU 33 HA GLU 33 -26.398 19.208 13.564 988 HB2 GLU 33 HB2 GLU 33 -25.241 18.191 15.551 989 HB3 GLU 33 HB3 GLU 33 -26.705 18.478 16.488 990 HG2 GLU 33 HG2 GLU 33 -26.768 16.929 13.892 991 HG3 GLU 33 HG3 GLU 33 -26.421 16.145 15.429 992 H LEU 34 H LEU 34 -27.942 20.986 16.159 993 HA LEU 34 HA LEU 34 -30.560 19.957 15.795 994 HB2 LEU 34 HB2 LEU 34 -29.503 21.394 17.731 995 HB3 LEU 34 HB3 LEU 34 -30.050 22.763 16.775 996 HG LEU 34 HG LEU 34 -31.740 20.526 17.922 997 HD11 LEU 34 HD11 LEU 34 -32.010 23.515 18.284 998 HD12 LEU 34 HD12 LEU 34 -30.993 22.535 19.337 999 HD13 LEU 34 HD13 LEU 34 -32.728 22.231 19.256 1000 HD21 LEU 34 HD21 LEU 34 -32.432 22.688 15.921 1001 HD22 LEU 34 HD22 LEU 34 -33.650 21.878 16.903 1002 HD23 LEU 34 HD23 LEU 34 -32.682 20.948 15.764 1003 H LEU 35 H LEU 35 -29.232 23.138 14.863 1004 HA LEU 35 HA LEU 35 -31.388 23.955 13.289 1005 HB2 LEU 35 HB2 LEU 35 -28.487 24.670 12.817 1006 HB3 LEU 35 HB3 LEU 35 -29.901 25.616 12.362 1007 HG LEU 35 HG LEU 35 -29.169 24.907 15.220 1008 HD11 LEU 35 HD11 LEU 35 -28.434 27.249 15.403 1009 HD12 LEU 35 HD12 LEU 35 -28.782 27.499 13.692 1010 HD13 LEU 35 HD13 LEU 35 -27.494 26.396 14.179 1011 HD21 LEU 35 HD21 LEU 35 -31.316 26.606 13.941 1012 HD22 LEU 35 HD22 LEU 35 -30.790 26.899 15.597 1013 HD23 LEU 35 HD23 LEU 35 -31.492 25.346 15.161 1014 H SER 36 H SER 36 -29.396 21.348 12.731 1015 HA SER 36 HA SER 36 -29.242 21.562 9.842 1016 HB2 SER 36 HB2 SER 36 -28.002 19.583 9.917 1017 HB3 SER 36 HB3 SER 36 -27.631 20.305 11.482 1018 HG SER 36 HG SER 36 -29.422 18.215 10.864 1019 H VAL 37 H VAL 37 -30.980 19.487 12.171 1020 HA VAL 37 HA VAL 37 -32.576 18.269 10.111 1021 HB VAL 37 HB VAL 37 -32.064 17.010 12.119 1022 HG11 VAL 37 HG11 VAL 37 -33.011 17.719 14.308 1023 HG12 VAL 37 HG12 VAL 37 -33.558 19.220 13.563 1024 HG13 VAL 37 HG13 VAL 37 -31.833 18.875 13.686 1025 HG21 VAL 37 HG21 VAL 37 -34.244 16.173 12.597 1026 HG22 VAL 37 HG22 VAL 37 -34.332 16.788 10.946 1027 HG23 VAL 37 HG23 VAL 37 -34.995 17.737 12.277 1028 H SER 38 H SER 38 -32.897 20.997 12.265 1029 HA SER 38 HA SER 38 -34.958 22.204 10.787 1030 HB2 SER 38 HB2 SER 38 -36.779 21.984 12.574 1031 HB3 SER 38 HB3 SER 38 -36.501 20.570 11.560 1032 HG SER 38 HG SER 38 -36.595 20.037 13.781 1033 H GLU 39 H GLU 39 -35.365 24.297 11.495 1034 HA GLU 39 HA GLU 39 -33.437 25.553 13.081 1035 HB2 GLU 39 HB2 GLU 39 -36.251 26.498 12.475 1036 HB3 GLU 39 HB3 GLU 39 -34.910 27.513 13.004 1037 HG2 GLU 39 HG2 GLU 39 -33.699 27.135 10.981 1038 HG3 GLU 39 HG3 GLU 39 -34.764 25.814 10.506 1039 H ALA 40 H ALA 40 -33.988 26.894 15.072 1040 HA ALA 40 HA ALA 40 -35.987 25.790 16.861 1041 HB1 ALA 40 HB1 ALA 40 -34.111 24.173 17.069 1042 HB2 ALA 40 HB2 ALA 40 -34.412 25.052 18.567 1043 HB3 ALA 40 HB3 ALA 40 -33.050 25.500 17.541 1044 H SER 41 H SER 41 -36.293 27.046 18.735 1045 HA SER 41 HA SER 41 -35.356 29.812 18.484 1046 HB2 SER 41 HB2 SER 41 -37.137 30.389 19.909 1047 HB3 SER 41 HB3 SER 41 -37.794 29.091 18.914 1048 HG SER 41 HG SER 41 -38.231 28.728 21.107 1049 H VAL 42 H VAL 42 -34.706 30.962 20.484 1050 HA VAL 42 HA VAL 42 -32.431 29.871 21.637 1051 HB VAL 42 HB VAL 42 -34.237 31.986 22.835 1052 HG11 VAL 42 HG11 VAL 42 -32.590 31.189 24.438 1053 HG12 VAL 42 HG12 VAL 42 -32.077 32.767 23.842 1054 HG13 VAL 42 HG13 VAL 42 -31.309 31.302 23.231 1055 HG21 VAL 42 HG21 VAL 42 -32.662 33.546 21.659 1056 HG22 VAL 42 HG22 VAL 42 -33.635 32.576 20.553 1057 HG23 VAL 42 HG23 VAL 42 -31.949 32.150 20.850 1058 H GLY 43 H GLY 43 -35.602 30.293 23.235 1059 HA2 GLY 43 HA2 GLY 43 -34.960 28.968 25.610 1060 HA3 GLY 43 HA3 GLY 43 -36.590 29.158 24.974 1061 H HIS 44 H HIS 44 -36.441 27.693 22.640 1062 HA HIS 44 HA HIS 44 -37.028 25.120 23.445 1063 HB2 HIS 44 HB2 HIS 44 -35.990 26.099 20.777 1064 HB3 HIS 44 HB3 HIS 44 -36.639 24.481 21.045 1065 HD1 HIS 44 HD1 HIS 44 -38.557 26.465 23.224 1066 HD2 HIS 44 HD2 HIS 44 -38.561 26.002 19.081 1067 HE1 HIS 44 HE1 HIS 44 -40.818 27.268 22.417 1068 HE2 HIS 44 HE2 HIS 44 -40.837 26.996 19.893 1069 H ILE 45 H ILE 45 -33.908 26.415 22.376 1070 HA ILE 45 HA ILE 45 -32.565 23.919 22.309 1071 HB ILE 45 HB ILE 45 -31.504 26.740 22.563 1072 HG12 ILE 45 HG12 ILE 45 -31.525 24.911 20.153 1073 HG13 ILE 45 HG13 ILE 45 -32.848 26.024 20.497 1074 HG21 ILE 45 HG21 ILE 45 -30.120 24.089 22.098 1075 HG22 ILE 45 HG22 ILE 45 -29.768 25.289 23.342 1076 HG23 ILE 45 HG23 ILE 45 -29.390 25.632 21.654 1077 HD11 ILE 45 HD11 ILE 45 -29.936 26.771 20.094 1078 HD12 ILE 45 HD12 ILE 45 -31.212 27.905 20.536 1079 HD13 ILE 45 HD13 ILE 45 -31.259 27.090 18.972 1080 H SER 46 H SER 46 -32.996 26.335 24.871 1081 HA SER 46 HA SER 46 -31.015 25.565 26.613 1082 HB2 SER 46 HB2 SER 46 -32.461 27.514 26.977 1083 HB3 SER 46 HB3 SER 46 -33.824 26.449 27.315 1084 HG SER 46 HG SER 46 -32.726 25.665 29.103 1085 H HIS 47 H HIS 47 -33.434 23.573 25.486 1086 HA HIS 47 HA HIS 47 -33.722 21.972 27.924 1087 HB2 HIS 47 HB2 HIS 47 -35.651 22.442 26.377 1088 HB3 HIS 47 HB3 HIS 47 -34.844 21.445 25.167 1089 HD1 HIS 47 HD1 HIS 47 -36.525 21.241 28.531 1090 HD2 HIS 47 HD2 HIS 47 -34.909 18.658 25.685 1091 HE1 HIS 47 HE1 HIS 47 -37.210 18.903 29.217 1092 HE2 HIS 47 HE2 HIS 47 -36.243 17.316 27.487 1093 H GLN 48 H GLN 48 -31.639 22.178 25.294 1094 HA GLN 48 HA GLN 48 -31.120 19.330 25.008 1095 HB2 GLN 48 HB2 GLN 48 -29.744 21.758 23.838 1096 HB3 GLN 48 HB3 GLN 48 -29.358 20.087 23.427 1097 HG2 GLN 48 HG2 GLN 48 -31.828 19.809 22.827 1098 HG3 GLN 48 HG3 GLN 48 -31.952 21.564 22.942 1099 HE21 GLN 48 HE21 GLN 48 -29.127 21.897 21.899 1100 HE22 GLN 48 HE22 GLN 48 -29.239 21.595 20.233 1101 H LEU 49 H LEU 49 -29.083 22.124 25.946 1102 HA LEU 49 HA LEU 49 -27.704 20.447 27.936 1103 HB2 LEU 49 HB2 LEU 49 -26.341 21.905 25.658 1104 HB3 LEU 49 HB3 LEU 49 -25.498 21.297 27.077 1105 HG LEU 49 HG LEU 49 -27.123 19.569 25.186 1106 HD11 LEU 49 HD11 LEU 49 -24.982 18.849 24.274 1107 HD12 LEU 49 HD12 LEU 49 -24.120 19.907 25.392 1108 HD13 LEU 49 HD13 LEU 49 -25.126 20.600 24.120 1109 HD21 LEU 49 HD21 LEU 49 -25.453 19.027 27.638 1110 HD22 LEU 49 HD22 LEU 49 -25.567 17.803 26.377 1111 HD23 LEU 49 HD23 LEU 49 -27.021 18.358 27.189 1112 H ASN 50 H ASN 50 -28.167 23.630 26.461 1113 HA ASN 50 HA ASN 50 -26.861 25.041 28.584 1114 HB2 ASN 50 HB2 ASN 50 -28.718 25.974 26.386 1115 HB3 ASN 50 HB3 ASN 50 -27.878 27.053 27.497 1116 HD21 ASN 50 HD21 ASN 50 -27.512 25.070 24.646 1117 HD22 ASN 50 HD22 ASN 50 -25.869 25.406 24.383 1118 H LEU 51 H LEU 51 -27.648 25.740 30.464 1119 HA LEU 51 HA LEU 51 -30.422 25.166 31.175 1120 HB2 LEU 51 HB2 LEU 51 -28.002 26.131 32.700 1121 HB3 LEU 51 HB3 LEU 51 -29.611 26.138 33.420 1122 HG LEU 51 HG LEU 51 -29.830 23.748 33.108 1123 HD11 LEU 51 HD11 LEU 51 -28.766 23.317 31.035 1124 HD12 LEU 51 HD12 LEU 51 -27.749 22.503 32.220 1125 HD13 LEU 51 HD13 LEU 51 -27.255 24.061 31.559 1126 HD21 LEU 51 HD21 LEU 51 -28.527 24.632 35.076 1127 HD22 LEU 51 HD22 LEU 51 -27.048 24.321 34.167 1128 HD23 LEU 51 HD23 LEU 51 -28.102 22.982 34.621 1129 H SER 52 H SER 52 -28.266 28.006 31.387 1130 HA SER 52 HA SER 52 -30.516 29.828 31.535 1131 HB2 SER 52 HB2 SER 52 -28.909 31.531 31.855 1132 HB3 SER 52 HB3 SER 52 -28.223 30.124 32.666 1133 HG SER 52 HG SER 52 -27.499 31.339 30.250 1134 H GLN 53 H GLN 53 -31.066 31.376 29.963 1135 HA GLN 53 HA GLN 53 -30.787 30.442 27.256 1136 HB2 GLN 53 HB2 GLN 53 -31.975 33.101 28.023 1137 HB3 GLN 53 HB3 GLN 53 -32.437 32.016 26.712 1138 HG2 GLN 53 HG2 GLN 53 -32.858 31.576 29.681 1139 HG3 GLN 53 HG3 GLN 53 -34.102 31.850 28.464 1140 HE21 GLN 53 HE21 GLN 53 -35.064 29.968 27.696 1141 HE22 GLN 53 HE22 GLN 53 -34.345 28.430 27.715 1142 H SER 54 H SER 54 -29.045 32.594 29.255 1143 HA SER 54 HA SER 54 -28.049 34.291 27.138 1144 HB2 SER 54 HB2 SER 54 -26.613 35.234 28.872 1145 HB3 SER 54 HB3 SER 54 -28.264 35.091 29.472 1146 HG SER 54 HG SER 54 -26.388 34.271 30.801 1147 H ASN 55 H ASN 55 -27.238 31.215 28.442 1148 HA ASN 55 HA ASN 55 -24.449 31.225 27.879 1149 HB2 ASN 55 HB2 ASN 55 -26.461 29.008 28.267 1150 HB3 ASN 55 HB3 ASN 55 -24.753 28.696 27.962 1151 HD21 ASN 55 HD21 ASN 55 -24.972 31.609 29.636 1152 HD22 ASN 55 HD22 ASN 55 -24.744 31.018 31.210 1153 H VAL 56 H VAL 56 -27.259 29.976 26.075 1154 HA VAL 56 HA VAL 56 -25.634 29.158 23.837 1155 HB VAL 56 HB VAL 56 -27.761 28.019 24.466 1156 HG11 VAL 56 HG11 VAL 56 -29.874 29.070 24.089 1157 HG12 VAL 56 HG12 VAL 56 -29.124 30.441 23.271 1158 HG13 VAL 56 HG13 VAL 56 -28.920 30.232 25.011 1159 HG21 VAL 56 HG21 VAL 56 -26.812 27.884 22.166 1160 HG22 VAL 56 HG22 VAL 56 -27.781 29.285 21.708 1161 HG23 VAL 56 HG23 VAL 56 -28.572 27.777 22.168 1162 H SER 57 H SER 57 -27.621 31.940 24.674 1163 HA SER 57 HA SER 57 -27.812 33.155 22.154 1164 HB2 SER 57 HB2 SER 57 -28.987 33.883 24.266 1165 HB3 SER 57 HB3 SER 57 -27.464 34.602 24.788 1166 HG SER 57 HG SER 57 -28.469 36.213 23.743 1167 H HIS 58 H HIS 58 -25.561 34.128 24.740 1168 HA HIS 58 HA HIS 58 -23.875 35.742 23.308 1169 HB2 HIS 58 HB2 HIS 58 -23.754 35.229 25.779 1170 HB3 HIS 58 HB3 HIS 58 -22.893 33.748 25.359 1171 HD1 HIS 58 HD1 HIS 58 -20.438 33.952 24.757 1172 HD2 HIS 58 HD2 HIS 58 -22.317 37.663 25.033 1173 HE1 HIS 58 HE1 HIS 58 -18.606 35.693 24.621 1174 HE2 HIS 58 HE2 HIS 58 -19.734 37.961 24.783 1175 H GLN 59 H GLN 59 -23.732 32.204 23.549 1176 HA GLN 59 HA GLN 59 -21.375 31.849 22.029 1177 HB2 GLN 59 HB2 GLN 59 -23.737 30.040 22.565 1178 HB3 GLN 59 HB3 GLN 59 -22.307 29.517 21.674 1179 HG2 GLN 59 HG2 GLN 59 -20.885 29.884 23.560 1180 HG3 GLN 59 HG3 GLN 59 -22.143 30.765 24.425 1181 HE21 GLN 59 HE21 GLN 59 -23.698 28.234 22.898 1182 HE22 GLN 59 HE22 GLN 59 -23.651 27.093 24.153 1183 H LEU 60 H LEU 60 -24.785 32.065 21.126 1184 HA LEU 60 HA LEU 60 -24.504 31.317 18.422 1185 HB2 LEU 60 HB2 LEU 60 -26.666 31.494 19.709 1186 HB3 LEU 60 HB3 LEU 60 -26.525 33.242 19.589 1187 HG LEU 60 HG LEU 60 -26.407 32.969 17.069 1188 HD11 LEU 60 HD11 LEU 60 -27.603 30.749 16.346 1189 HD12 LEU 60 HD12 LEU 60 -26.981 30.118 17.867 1190 HD13 LEU 60 HD13 LEU 60 -25.872 30.729 16.642 1191 HD21 LEU 60 HD21 LEU 60 -28.434 33.737 18.148 1192 HD22 LEU 60 HD22 LEU 60 -28.880 32.086 18.579 1193 HD23 LEU 60 HD23 LEU 60 -28.880 32.586 16.888 1194 H LYS 61 H LYS 61 -24.010 34.346 20.111 1195 HA LYS 61 HA LYS 61 -23.982 36.061 17.856 1196 HB2 LYS 61 HB2 LYS 61 -22.564 36.328 20.519 1197 HB3 LYS 61 HB3 LYS 61 -22.775 37.626 19.342 1198 HG2 LYS 61 HG2 LYS 61 -25.285 37.165 19.492 1199 HG3 LYS 61 HG3 LYS 61 -24.920 36.166 20.899 1200 HD2 LYS 61 HD2 LYS 61 -23.855 38.094 22.003 1201 HD3 LYS 61 HD3 LYS 61 -24.193 39.096 20.591 1202 HE2 LYS 61 HE2 LYS 61 -25.935 39.530 22.199 1203 HE3 LYS 61 HE3 LYS 61 -26.646 38.551 20.916 1204 HZ1 LYS 61 HZ1 LYS 61 -27.344 37.438 22.772 1205 HZ2 LYS 61 HZ2 LYS 61 -25.942 37.792 23.663 1206 HZ3 LYS 61 HZ3 LYS 61 -25.901 36.605 22.448 1207 H LEU 62 H LEU 62 -21.532 34.041 19.371 1208 HA LEU 62 HA LEU 62 -19.248 35.084 18.123 1209 HB2 LEU 62 HB2 LEU 62 -19.701 32.159 18.732 1210 HB3 LEU 62 HB3 LEU 62 -18.167 33.025 18.676 1211 HG LEU 62 HG LEU 62 -20.397 33.526 20.670 1212 HD11 LEU 62 HD11 LEU 62 -19.266 31.406 21.091 1213 HD12 LEU 62 HD12 LEU 62 -18.754 32.589 22.294 1214 HD13 LEU 62 HD13 LEU 62 -17.691 32.187 20.945 1215 HD21 LEU 62 HD21 LEU 62 -19.277 35.591 20.403 1216 HD22 LEU 62 HD22 LEU 62 -17.708 34.815 20.188 1217 HD23 LEU 62 HD23 LEU 62 -18.464 34.854 21.780 1218 H LEU 63 H LEU 63 -21.562 32.630 17.018 1219 HA LEU 63 HA LEU 63 -20.139 32.026 14.613 1220 HB2 LEU 63 HB2 LEU 63 -23.091 31.647 15.153 1221 HB3 LEU 63 HB3 LEU 63 -22.110 30.793 13.964 1222 HG LEU 63 HG LEU 63 -21.648 30.693 16.960 1223 HD11 LEU 63 HD11 LEU 63 -22.877 28.596 15.148 1224 HD12 LEU 63 HD12 LEU 63 -23.802 29.651 16.217 1225 HD13 LEU 63 HD13 LEU 63 -22.662 28.489 16.896 1226 HD21 LEU 63 HD21 LEU 63 -19.592 30.179 15.936 1227 HD22 LEU 63 HD22 LEU 63 -20.360 29.360 14.576 1228 HD23 LEU 63 HD23 LEU 63 -20.323 28.594 16.163 1229 H LYS 64 H LYS 64 -22.538 34.409 15.517 1230 HA LYS 64 HA LYS 64 -23.417 35.171 12.960 1231 HB2 LYS 64 HB2 LYS 64 -24.467 35.913 15.085 1232 HB3 LYS 64 HB3 LYS 64 -23.066 36.938 15.394 1233 HG2 LYS 64 HG2 LYS 64 -23.505 38.254 13.418 1234 HG3 LYS 64 HG3 LYS 64 -24.765 37.137 12.893 1235 HD2 LYS 64 HD2 LYS 64 -26.107 37.703 14.880 1236 HD3 LYS 64 HD3 LYS 64 -24.842 38.805 15.428 1237 HE2 LYS 64 HE2 LYS 64 -26.567 40.095 14.292 1238 HE3 LYS 64 HE3 LYS 64 -25.112 40.091 13.295 1239 HZ1 LYS 64 HZ1 LYS 64 -26.143 38.082 12.169 1240 HZ2 LYS 64 HZ2 LYS 64 -26.840 39.595 11.834 1241 HZ3 LYS 64 HZ3 LYS 64 -27.596 38.533 12.923 1242 H SER 65 H SER 65 -20.602 36.166 14.857 1243 HA SER 65 HA SER 65 -19.754 38.258 13.143 1244 HB2 SER 65 HB2 SER 65 -18.773 38.281 15.275 1245 HB3 SER 65 HB3 SER 65 -18.388 36.561 15.218 1246 HG SER 65 HG SER 65 -16.924 38.664 14.406 1247 H VAL 66 H VAL 66 -19.218 34.783 13.148 1248 HA VAL 66 HA VAL 66 -17.205 34.855 11.087 1249 HB VAL 66 HB VAL 66 -18.871 32.516 12.050 1250 HG11 VAL 66 HG11 VAL 66 -16.708 31.305 11.322 1251 HG12 VAL 66 HG12 VAL 66 -16.324 32.785 10.445 1252 HG13 VAL 66 HG13 VAL 66 -17.780 31.874 10.046 1253 HG21 VAL 66 HG21 VAL 66 -16.253 33.671 13.048 1254 HG22 VAL 66 HG22 VAL 66 -16.851 32.072 13.492 1255 HG23 VAL 66 HG23 VAL 66 -17.759 33.511 13.952 1256 H HIS 67 H HIS 67 -20.476 35.394 11.068 1257 HA HIS 67 HA HIS 67 -22.055 35.531 9.411 1258 HB2 HIS 67 HB2 HIS 67 -20.057 36.621 8.247 1259 HB3 HIS 67 HB3 HIS 67 -19.804 35.071 7.447 1260 HD1 HIS 67 HD1 HIS 67 -22.665 37.547 7.969 1261 HD2 HIS 67 HD2 HIS 67 -21.278 34.830 5.127 1262 HE1 HIS 67 HE1 HIS 67 -24.190 37.771 5.962 1263 HE2 HIS 67 HE2 HIS 67 -23.364 36.116 4.222 1264 H LEU 68 H LEU 68 -20.596 32.834 10.289 1265 HA LEU 68 HA LEU 68 -21.070 30.993 8.216 1266 HB2 LEU 68 HB2 LEU 68 -19.859 30.891 10.647 1267 HB3 LEU 68 HB3 LEU 68 -21.344 30.046 11.047 1268 HG LEU 68 HG LEU 68 -19.444 29.326 8.794 1269 HD11 LEU 68 HD11 LEU 68 -20.069 27.855 11.369 1270 HD12 LEU 68 HD12 LEU 68 -18.647 28.873 11.136 1271 HD13 LEU 68 HD13 LEU 68 -18.858 27.416 10.164 1272 HD21 LEU 68 HD21 LEU 68 -22.093 28.195 9.704 1273 HD22 LEU 68 HD22 LEU 68 -20.924 27.202 8.834 1274 HD23 LEU 68 HD23 LEU 68 -21.590 28.643 8.073 1275 H VAL 69 H VAL 69 -23.239 32.737 10.129 1276 HA VAL 69 HA VAL 69 -25.502 31.214 9.072 1277 HB VAL 69 HB VAL 69 -26.580 31.040 11.281 1278 HG11 VAL 69 HG11 VAL 69 -23.831 29.783 11.409 1279 HG12 VAL 69 HG12 VAL 69 -25.086 29.210 10.310 1280 HG13 VAL 69 HG13 VAL 69 -25.345 29.146 12.052 1281 HG21 VAL 69 HG21 VAL 69 -25.121 31.389 13.304 1282 HG22 VAL 69 HG22 VAL 69 -25.501 32.876 12.435 1283 HG23 VAL 69 HG23 VAL 69 -23.917 32.124 12.244 1284 H LYS 70 H LYS 70 -27.599 32.321 9.881 1285 HA LYS 70 HA LYS 70 -27.288 35.257 10.091 1286 HB2 LYS 70 HB2 LYS 70 -29.032 33.757 8.122 1287 HB3 LYS 70 HB3 LYS 70 -29.142 35.488 8.440 1288 HG2 LYS 70 HG2 LYS 70 -26.873 35.842 7.675 1289 HG3 LYS 70 HG3 LYS 70 -26.595 34.109 7.551 1290 HD2 LYS 70 HD2 LYS 70 -27.020 34.713 5.327 1291 HD3 LYS 70 HD3 LYS 70 -28.591 34.135 5.867 1292 HE2 LYS 70 HE2 LYS 70 -28.819 36.251 4.639 1293 HE3 LYS 70 HE3 LYS 70 -29.282 36.471 6.325 1294 HZ1 LYS 70 HZ1 LYS 70 -27.808 38.111 6.370 1295 HZ2 LYS 70 HZ2 LYS 70 -27.163 37.685 4.857 1296 HZ3 LYS 70 HZ3 LYS 70 -26.584 36.939 6.268 1297 H ALA 71 H ALA 71 -29.584 36.217 10.464 1298 HA ALA 71 HA ALA 71 -31.265 34.460 12.141 1299 HB1 ALA 71 HB1 ALA 71 -29.573 35.645 13.585 1300 HB2 ALA 71 HB2 ALA 71 -31.253 36.016 13.973 1301 HB3 ALA 71 HB3 ALA 71 -30.284 37.171 13.058 1302 H LYS 72 H LYS 72 -33.402 35.104 12.303 1303 HA LYS 72 HA LYS 72 -34.273 37.526 10.858 1304 HB2 LYS 72 HB2 LYS 72 -34.256 35.549 9.295 1305 HB3 LYS 72 HB3 LYS 72 -35.442 34.782 10.349 1306 HG2 LYS 72 HG2 LYS 72 -36.935 36.755 10.048 1307 HG3 LYS 72 HG3 LYS 72 -35.773 37.434 8.914 1308 HD2 LYS 72 HD2 LYS 72 -36.872 34.651 8.493 1309 HD3 LYS 72 HD3 LYS 72 -37.802 36.058 7.989 1310 HE2 LYS 72 HE2 LYS 72 -34.990 35.365 7.084 1311 HE3 LYS 72 HE3 LYS 72 -36.459 35.243 6.119 1312 HZ1 LYS 72 HZ1 LYS 72 -35.082 37.664 7.084 1313 HZ2 LYS 72 HZ2 LYS 72 -36.731 37.711 6.681 1314 HZ3 LYS 72 HZ3 LYS 72 -35.582 37.276 5.509 1315 H ARG 73 H ARG 73 -36.301 38.290 11.477 1316 HA ARG 73 HA ARG 73 -37.225 37.382 14.116 1317 HB2 ARG 73 HB2 ARG 73 -36.832 39.816 13.649 1318 HB3 ARG 73 HB3 ARG 73 -38.146 39.753 12.474 1319 HG2 ARG 73 HG2 ARG 73 -39.692 38.997 14.250 1320 HG3 ARG 73 HG3 ARG 73 -38.379 39.080 15.424 1321 HD2 ARG 73 HD2 ARG 73 -39.423 41.417 13.797 1322 HD3 ARG 73 HD3 ARG 73 -39.803 41.108 15.489 1323 HE ARG 73 HE ARG 73 -36.972 41.243 15.011 1324 HH11 ARG 73 HH21 ARG 73 -39.878 43.059 15.492 1325 HH12 ARG 73 HH22 ARG 73 -39.070 44.440 16.156 1326 HH21 ARG 73 HH11 ARG 73 -35.904 43.054 15.875 1327 HH22 ARG 73 HH12 ARG 73 -36.821 44.438 16.371 1328 H GLN 74 H GLN 74 -39.399 36.794 14.505 1329 HA GLN 74 HA GLN 74 -41.234 36.499 12.263 1330 HB2 GLN 74 HB2 GLN 74 -39.888 34.446 12.105 1331 HB3 GLN 74 HB3 GLN 74 -40.231 34.088 13.798 1332 HG2 GLN 74 HG2 GLN 74 -42.580 33.838 13.350 1333 HG3 GLN 74 HG3 GLN 74 -42.394 34.467 11.714 1334 HE21 GLN 74 HE21 GLN 74 -40.586 31.947 13.571 1335 HE22 GLN 74 HE22 GLN 74 -40.764 30.747 12.384 1336 H GLY 75 H GLY 75 -42.711 37.763 13.320 1337 HA2 GLY 75 HA2 GLY 75 -44.546 38.110 14.681 1338 HA3 GLY 75 HA3 GLY 75 -44.294 36.500 15.349 1339 H GLN 76 H GLN 76 -43.579 36.363 17.381 1340 HA GLN 76 HA GLN 76 -42.455 38.781 18.694 1341 HB2 GLN 76 HB2 GLN 76 -43.829 36.423 19.995 1342 HB3 GLN 76 HB3 GLN 76 -43.384 37.954 20.747 1343 HG2 GLN 76 HG2 GLN 76 -45.383 37.622 18.489 1344 HG3 GLN 76 HG3 GLN 76 -45.792 37.898 20.181 1345 HE21 GLN 76 HE21 GLN 76 -44.961 39.462 17.219 1346 HE22 GLN 76 HE22 GLN 76 -44.802 41.032 17.843 1347 H SER 77 H SER 77 -42.081 35.346 18.096 1348 HA SER 77 HA SER 77 -39.794 35.080 19.865 1349 HB2 SER 77 HB2 SER 77 -41.102 33.120 19.689 1350 HB3 SER 77 HB3 SER 77 -41.194 33.238 17.933 1351 HG SER 77 HG SER 77 -38.779 33.054 18.103 1352 H MET 78 H MET 78 -37.676 34.960 19.285 1353 HA MET 78 HA MET 78 -36.947 36.007 16.640 1354 HB2 MET 78 HB2 MET 78 -35.181 35.384 19.018 1355 HB3 MET 78 HB3 MET 78 -34.745 36.322 17.589 1356 HG2 MET 78 HG2 MET 78 -36.693 37.875 18.208 1357 HG3 MET 78 HG3 MET 78 -36.712 37.049 19.767 1358 HE1 MET 78 HE1 MET 78 -35.376 37.537 21.639 1359 HE2 MET 78 HE2 MET 78 -33.688 38.047 21.625 1360 HE3 MET 78 HE3 MET 78 -34.149 36.508 20.899 1361 H ILE 79 H ILE 79 -37.383 34.169 15.342 1362 HA ILE 79 HA ILE 79 -36.185 31.617 15.952 1363 HB ILE 79 HB ILE 79 -38.322 31.849 14.691 1364 HG12 ILE 79 HG12 ILE 79 -36.130 30.569 13.035 1365 HG13 ILE 79 HG13 ILE 79 -36.785 29.847 14.505 1366 HG21 ILE 79 HG21 ILE 79 -36.578 32.746 12.386 1367 HG22 ILE 79 HG22 ILE 79 -37.479 33.880 13.392 1368 HG23 ILE 79 HG23 ILE 79 -38.339 32.668 12.442 1369 HD11 ILE 79 HD11 ILE 79 -38.300 30.498 11.961 1370 HD12 ILE 79 HD12 ILE 79 -39.074 29.983 13.460 1371 HD13 ILE 79 HD13 ILE 79 -37.969 28.896 12.620 1372 H TYR 80 H TYR 80 -34.292 30.817 15.266 1373 HA TYR 80 HA TYR 80 -32.594 32.491 13.488 1374 HB2 TYR 80 HB2 TYR 80 -31.841 30.622 15.746 1375 HB3 TYR 80 HB3 TYR 80 -30.689 31.404 14.664 1376 HD1 TYR 80 HD2 TYR 80 -33.231 31.972 17.295 1377 HD2 TYR 80 HD1 TYR 80 -30.187 33.758 14.846 1378 HE1 TYR 80 HE2 TYR 80 -33.299 34.016 18.699 1379 HE2 TYR 80 HE1 TYR 80 -30.256 35.801 16.250 1380 HH TYR 80 HH TYR 80 -32.682 36.224 18.762 1381 H SER 81 H SER 81 -31.219 31.409 12.029 1382 HA SER 81 HA SER 81 -31.482 28.548 11.616 1383 HB2 SER 81 HB2 SER 81 -32.437 28.650 9.422 1384 HB3 SER 81 HB3 SER 81 -33.491 29.591 10.476 1385 HG SER 81 HG SER 81 -33.084 31.242 9.273 1386 H LEU 82 H LEU 82 -30.341 28.106 9.317 1387 HA LEU 82 HA LEU 82 -27.698 29.374 9.535 1388 HB2 LEU 82 HB2 LEU 82 -27.120 27.559 7.820 1389 HB3 LEU 82 HB3 LEU 82 -27.478 27.043 9.458 1390 HG LEU 82 HG LEU 82 -29.788 27.182 7.536 1391 HD11 LEU 82 HD11 LEU 82 -27.739 24.951 7.503 1392 HD12 LEU 82 HD12 LEU 82 -28.065 26.076 6.185 1393 HD13 LEU 82 HD13 LEU 82 -29.301 24.923 6.684 1394 HD21 LEU 82 HD21 LEU 82 -29.068 25.002 9.504 1395 HD22 LEU 82 HD22 LEU 82 -30.654 25.406 8.846 1396 HD23 LEU 82 HD23 LEU 82 -29.885 26.474 10.017 1397 H ASP 83 H ASP 83 -26.643 29.327 7.131 1398 HA ASP 83 HA ASP 83 -27.860 31.535 5.802 1399 HB2 ASP 83 HB2 ASP 83 -25.564 29.719 5.046 1400 HB3 ASP 83 HB3 ASP 83 -26.053 31.116 4.089 1401 H ASP 84 H ASP 84 -26.717 28.948 3.786 1402 HA ASP 84 HA ASP 84 -29.379 28.082 2.985 1403 HB2 ASP 84 HB2 ASP 84 -27.588 29.656 1.119 1404 HB3 ASP 84 HB3 ASP 84 -29.006 28.742 0.609 1405 H ILE 85 H ILE 85 -29.260 26.443 1.253 1406 HA ILE 85 HA ILE 85 -27.701 24.320 1.885 1407 HB ILE 85 HB ILE 85 -29.563 24.063 0.403 1408 HG12 ILE 85 HG12 ILE 85 -28.638 22.585 -1.287 1409 HG13 ILE 85 HG13 ILE 85 -27.053 23.331 -1.131 1410 HG21 ILE 85 HG21 ILE 85 -29.782 25.012 -1.725 1411 HG22 ILE 85 HG22 ILE 85 -28.058 25.322 -1.886 1412 HG23 ILE 85 HG23 ILE 85 -29.035 26.313 -0.806 1413 HD11 ILE 85 HD11 ILE 85 -27.505 21.102 0.131 1414 HD12 ILE 85 HD12 ILE 85 -28.410 22.101 1.267 1415 HD13 ILE 85 HD13 ILE 85 -26.691 22.400 1.001 1416 H HIS 86 H HIS 86 -25.608 24.928 2.384 1417 HA HIS 86 HA HIS 86 -23.679 24.584 0.348 1418 HB2 HIS 86 HB2 HIS 86 -24.487 27.017 -0.033 1419 HB3 HIS 86 HB3 HIS 86 -23.662 27.391 1.475 1420 HD1 HIS 86 HD1 HIS 86 -21.614 28.603 0.674 1421 HD2 HIS 86 HD2 HIS 86 -22.248 25.067 -1.443 1422 HE1 HIS 86 HE1 HIS 86 -19.588 28.283 -0.808 1423 HE2 HIS 86 HE2 HIS 86 -19.957 26.132 -2.104 1424 H VAL 87 H VAL 87 -24.447 25.933 3.498 1425 HA VAL 87 HA VAL 87 -21.824 25.288 4.611 1426 HB VAL 87 HB VAL 87 -22.741 26.216 6.694 1427 HG11 VAL 87 HG11 VAL 87 -23.190 28.518 5.840 1428 HG12 VAL 87 HG12 VAL 87 -23.325 27.857 4.211 1429 HG13 VAL 87 HG13 VAL 87 -21.788 27.773 5.071 1430 HG21 VAL 87 HG21 VAL 87 -25.070 27.266 6.502 1431 HG22 VAL 87 HG22 VAL 87 -25.020 25.508 6.639 1432 HG23 VAL 87 HG23 VAL 87 -25.291 26.263 5.068 1433 H ALA 88 H ALA 88 -25.180 24.175 4.835 1434 HA ALA 88 HA ALA 88 -24.714 22.194 6.824 1435 HB1 ALA 88 HB1 ALA 88 -26.902 21.314 6.160 1436 HB2 ALA 88 HB2 ALA 88 -26.876 22.309 4.705 1437 HB3 ALA 88 HB3 ALA 88 -26.965 23.071 6.293 1438 H THR 89 H THR 89 -24.014 22.375 3.474 1439 HA THR 89 HA THR 89 -24.017 19.560 2.917 1440 HB THR 89 HB THR 89 -22.471 21.714 1.460 1441 HG1 THR 89 HG1 THR 89 -25.188 21.079 1.550 1442 HG21 THR 89 HG21 THR 89 -22.800 20.192 -0.455 1443 HG22 THR 89 HG22 THR 89 -23.667 19.066 0.589 1444 HG23 THR 89 HG23 THR 89 -21.952 19.377 0.860 1445 H MET 90 H MET 90 -21.473 21.952 3.632 1446 HA MET 90 HA MET 90 -19.318 20.125 3.572 1447 HB2 MET 90 HB2 MET 90 -18.853 22.472 3.426 1448 HB3 MET 90 HB3 MET 90 -19.690 22.796 4.939 1449 HG2 MET 90 HG2 MET 90 -17.172 22.789 5.113 1450 HG3 MET 90 HG3 MET 90 -17.977 21.679 6.216 1451 HE1 MET 90 HE1 MET 90 -15.097 21.725 5.605 1452 HE2 MET 90 HE2 MET 90 -14.524 20.154 5.048 1453 HE3 MET 90 HE3 MET 90 -15.545 20.260 6.481 1454 H LEU 91 H LEU 91 -21.719 20.869 5.968 1455 HA LEU 91 HA LEU 91 -20.389 19.967 8.277 1456 HB2 LEU 91 HB2 LEU 91 -22.423 21.243 8.475 1457 HB3 LEU 91 HB3 LEU 91 -23.325 20.048 7.550 1458 HG LEU 91 HG LEU 91 -23.124 18.418 9.320 1459 HD11 LEU 91 HD11 LEU 91 -20.932 18.705 10.171 1460 HD12 LEU 91 HD12 LEU 91 -21.969 19.209 11.501 1461 HD13 LEU 91 HD13 LEU 91 -21.186 20.421 10.488 1462 HD21 LEU 91 HD21 LEU 91 -23.807 21.168 10.398 1463 HD22 LEU 91 HD22 LEU 91 -24.239 19.648 11.181 1464 HD23 LEU 91 HD23 LEU 91 -24.913 20.049 9.602 1465 H LYS 92 H LYS 92 -22.719 18.247 6.180 1466 HA LYS 92 HA LYS 92 -22.364 15.748 7.497 1467 HB2 LYS 92 HB2 LYS 92 -23.459 16.338 4.738 1468 HB3 LYS 92 HB3 LYS 92 -23.637 14.818 5.614 1469 HG2 LYS 92 HG2 LYS 92 -24.801 16.038 7.443 1470 HG3 LYS 92 HG3 LYS 92 -24.655 17.527 6.519 1471 HD2 LYS 92 HD2 LYS 92 -26.813 16.834 5.946 1472 HD3 LYS 92 HD3 LYS 92 -25.867 16.170 4.619 1473 HE2 LYS 92 HE2 LYS 92 -27.475 14.521 5.542 1474 HE3 LYS 92 HE3 LYS 92 -25.810 13.979 5.733 1475 HZ1 LYS 92 HZ1 LYS 92 -27.662 14.172 7.713 1476 HZ2 LYS 92 HZ2 LYS 92 -26.723 15.570 7.933 1477 HZ3 LYS 92 HZ3 LYS 92 -25.984 14.041 7.936 1478 H GLN 93 H GLN 93 -21.300 16.862 4.269 1479 HA GLN 93 HA GLN 93 -19.906 14.691 3.404 1480 HB2 GLN 93 HB2 GLN 93 -19.152 17.610 3.165 1481 HB3 GLN 93 HB3 GLN 93 -18.350 16.321 2.268 1482 HG2 GLN 93 HG2 GLN 93 -21.342 16.785 2.201 1483 HG3 GLN 93 HG3 GLN 93 -20.230 17.467 1.017 1484 HE21 GLN 93 HE21 GLN 93 -18.512 15.461 0.375 1485 HE22 GLN 93 HE22 GLN 93 -19.338 14.086 -0.179 1486 H ALA 94 H ALA 94 -19.054 16.777 6.049 1487 HA ALA 94 HA ALA 94 -16.296 16.015 6.197 1488 HB1 ALA 94 HB1 ALA 94 -18.149 17.279 8.230 1489 HB2 ALA 94 HB2 ALA 94 -17.008 18.113 7.176 1490 HB3 ALA 94 HB3 ALA 94 -16.415 17.063 8.462 1491 H ILE 95 H ILE 95 -18.858 15.416 8.612 1492 HA ILE 95 HA ILE 95 -17.534 13.357 9.935 1493 HB ILE 95 HB ILE 95 -19.554 14.527 10.790 1494 HG12 ILE 95 HG12 ILE 95 -19.990 11.534 10.653 1495 HG13 ILE 95 HG13 ILE 95 -18.730 12.273 11.642 1496 HG21 ILE 95 HG21 ILE 95 -21.075 12.681 8.927 1497 HG22 ILE 95 HG22 ILE 95 -20.810 14.397 8.614 1498 HG23 ILE 95 HG23 ILE 95 -21.753 13.892 10.015 1499 HD11 ILE 95 HD11 ILE 95 -20.497 13.658 12.757 1500 HD12 ILE 95 HD12 ILE 95 -20.699 11.927 13.026 1501 HD13 ILE 95 HD13 ILE 95 -21.715 12.761 11.849 1502 H HIS 96 H HIS 96 -18.837 13.351 6.820 1503 HA HIS 96 HA HIS 96 -19.588 10.597 6.624 1504 HB2 HIS 96 HB2 HIS 96 -20.417 12.243 5.017 1505 HB3 HIS 96 HB3 HIS 96 -18.769 12.576 4.482 1506 HD1 HIS 96 HD1 HIS 96 -17.974 11.204 2.556 1507 HD2 HIS 96 HD2 HIS 96 -21.103 9.333 4.579 1508 HE1 HIS 96 HE1 HIS 96 -18.522 9.110 1.245 1509 HE2 HIS 96 HE2 HIS 96 -20.429 7.957 2.461 1510 H HIS 97 H HIS 97 -16.651 12.424 5.777 1511 HA HIS 97 HA HIS 97 -15.197 10.191 4.794 1512 HB2 HIS 97 HB2 HIS 97 -14.534 12.498 4.281 1513 HB3 HIS 97 HB3 HIS 97 -14.184 12.786 5.986 1514 HD1 HIS 97 HD1 HIS 97 -13.120 10.331 3.258 1515 HD2 HIS 97 HD2 HIS 97 -11.561 12.212 6.637 1516 HE1 HIS 97 HE1 HIS 97 -10.693 9.629 3.412 1517 HE2 HIS 97 HE2 HIS 97 -9.726 10.765 5.466 1518 H ALA 98 H ALA 98 -16.157 11.067 7.917 1519 HA ALA 98 HA ALA 98 -13.931 9.971 9.373 1520 HB1 ALA 98 HB1 ALA 98 -16.751 10.340 10.392 1521 HB2 ALA 98 HB2 ALA 98 -15.605 11.674 10.254 1522 HB3 ALA 98 HB3 ALA 98 -15.255 10.318 11.326 1523 H ASN 99 H ASN 99 -16.307 8.586 7.498 1524 HA ASN 99 HA ASN 99 -15.693 5.936 8.465 1525 HB2 ASN 99 HB2 ASN 99 -18.474 7.077 8.786 1526 HB3 ASN 99 HB3 ASN 99 -18.123 5.351 8.813 1527 HD21 ASN 99 HD21 ASN 99 -18.700 7.815 10.900 1528 HD22 ASN 99 HD22 ASN 99 -17.723 7.340 12.205 1529 H HIS 100 H HIS 100 -17.667 4.487 7.279 1530 HA HIS 100 HA HIS 100 -18.193 5.429 4.593 1531 HB2 HIS 100 HB2 HIS 100 -16.260 3.140 5.047 1532 HB3 HIS 100 HB3 HIS 100 -16.932 3.613 3.487 1533 HD1 HIS 100 HD1 HIS 100 -16.510 6.353 2.987 1534 HD2 HIS 100 HD2 HIS 100 -13.844 4.384 5.518 1535 HE1 HIS 100 HE1 HIS 100 -14.425 7.783 3.081 1536 HE2 HIS 100 HE2 HIS 100 -12.787 6.597 4.616 1537 HA PRO 101 HA PRO 101 -21.237 2.513 6.697 1538 HB2 PRO 101 HB2 PRO 101 -22.886 4.291 4.904 1539 HB3 PRO 101 HB3 PRO 101 -23.276 3.652 6.512 1540 HG2 PRO 101 HG2 PRO 101 -22.478 6.159 6.238 1541 HG3 PRO 101 HG3 PRO 101 -21.880 5.178 7.586 1542 HD2 PRO 101 HD2 PRO 101 -20.460 5.990 5.066 1543 HD3 PRO 101 HD3 PRO 101 -19.805 5.773 6.703 1544 H LYS 102 H LYS 102 -23.149 1.368 5.394 1545 HA LYS 102 HA LYS 102 -21.894 -0.160 3.332 1546 HB2 LYS 102 HB2 LYS 102 -24.847 -0.122 3.952 1547 HB3 LYS 102 HB3 LYS 102 -23.885 -1.453 3.309 1548 HG2 LYS 102 HG2 LYS 102 -22.552 -1.331 5.504 1549 HG3 LYS 102 HG3 LYS 102 -23.857 -0.311 6.108 1550 HD2 LYS 102 HD2 LYS 102 -24.208 -3.104 4.977 1551 HD3 LYS 102 HD3 LYS 102 -24.206 -2.699 6.694 1552 HE2 LYS 102 HE2 LYS 102 -26.109 -1.052 6.123 1553 HE3 LYS 102 HE3 LYS 102 -26.224 -1.912 4.587 1554 HZ1 LYS 102 HZ1 LYS 102 -27.238 -3.608 5.564 1555 HZ2 LYS 102 HZ2 LYS 102 -27.395 -2.639 6.950 1556 HZ3 LYS 102 HZ3 LYS 102 -26.079 -3.702 6.800 1557 H GLU 103 H GLU 103 -24.719 -0.200 1.987 1558 HA GLU 103 HA GLU 103 -23.976 1.423 -0.243 1559 HB2 GLU 103 HB2 GLU 103 -26.572 0.021 0.439 1560 HB3 GLU 103 HB3 GLU 103 -26.234 0.797 -1.109 1561 HG2 GLU 103 HG2 GLU 103 -24.292 -0.687 -1.434 1562 HG3 GLU 103 HG3 GLU 103 -24.618 -1.459 0.117 Start of MODEL 3 1 H ASN 9 H ASN 9 -20.044 7.630 18.712 2 HA ASN 9 HA ASN 9 -22.311 7.626 20.187 3 HB2 ASN 9 HB2 ASN 9 -20.219 5.826 21.425 4 HB3 ASN 9 HB3 ASN 9 -21.440 6.658 22.388 5 HD21 ASN 9 HD21 ASN 9 -23.770 6.153 21.829 6 HD22 ASN 9 HD22 ASN 9 -24.136 4.632 21.168 7 H THR 10 H THR 10 -21.505 8.521 22.613 8 HA THR 10 HA THR 10 -20.563 11.063 22.216 9 HB THR 10 HB THR 10 -21.532 10.254 24.345 10 HG1 THR 10 HG1 THR 10 -18.951 11.415 24.464 11 HG21 THR 10 HG21 THR 10 -20.135 8.109 24.295 12 HG22 THR 10 HG22 THR 10 -20.281 8.903 25.864 13 HG23 THR 10 HG23 THR 10 -18.803 9.083 24.918 14 H ASP 11 H ASP 11 -18.756 8.125 22.207 15 HA ASP 11 HA ASP 11 -16.173 9.324 22.677 16 HB2 ASP 11 HB2 ASP 11 -16.786 6.660 21.382 17 HB3 ASP 11 HB3 ASP 11 -15.277 7.154 22.148 18 H THR 12 H THR 12 -17.735 7.869 19.812 19 HA THR 12 HA THR 12 -15.846 8.644 17.909 20 HB THR 12 HB THR 12 -18.838 8.493 17.480 21 HG1 THR 12 HG1 THR 12 -17.835 6.649 18.543 22 HG21 THR 12 HG21 THR 12 -17.512 9.431 15.611 23 HG22 THR 12 HG22 THR 12 -18.177 7.850 15.198 24 HG23 THR 12 HG23 THR 12 -16.476 8.005 15.640 25 H LEU 13 H LEU 13 -18.429 10.452 19.438 26 HA LEU 13 HA LEU 13 -18.667 12.622 17.730 27 HB2 LEU 13 HB2 LEU 13 -19.854 12.015 20.005 28 HB3 LEU 13 HB3 LEU 13 -18.616 13.035 20.711 29 HG LEU 13 HG LEU 13 -20.510 14.426 20.314 30 HD11 LEU 13 HD11 LEU 13 -19.578 16.134 18.943 31 HD12 LEU 13 HD12 LEU 13 -18.667 14.968 17.987 32 HD13 LEU 13 HD13 LEU 13 -18.214 15.281 19.663 33 HD21 LEU 13 HD21 LEU 13 -21.394 12.775 18.444 34 HD22 LEU 13 HD22 LEU 13 -20.573 13.890 17.356 35 HD23 LEU 13 HD23 LEU 13 -21.840 14.476 18.426 36 H GLU 14 H GLU 14 -16.535 12.456 20.605 37 HA GLU 14 HA GLU 14 -15.176 14.826 20.196 38 HB2 GLU 14 HB2 GLU 14 -14.034 12.269 21.345 39 HB3 GLU 14 HB3 GLU 14 -13.435 13.904 21.629 40 HG2 GLU 14 HG2 GLU 14 -15.491 14.528 22.746 41 HG3 GLU 14 HG3 GLU 14 -16.244 12.995 22.314 42 H ARG 15 H ARG 15 -14.856 11.843 18.432 43 HA ARG 15 HA ARG 15 -12.213 12.406 17.424 44 HB2 ARG 15 HB2 ARG 15 -14.276 10.514 16.274 45 HB3 ARG 15 HB3 ARG 15 -12.534 10.489 16.006 46 HG2 ARG 15 HG2 ARG 15 -12.256 10.156 18.505 47 HG3 ARG 15 HG3 ARG 15 -14.001 9.922 18.594 48 HD2 ARG 15 HD2 ARG 15 -13.769 8.099 16.873 49 HD3 ARG 15 HD3 ARG 15 -12.021 8.267 17.007 50 HE ARG 15 HE ARG 15 -13.778 7.003 18.922 51 HH11 ARG 15 HH21 ARG 15 -10.775 8.632 18.378 52 HH12 ARG 15 HH22 ARG 15 -9.979 7.911 19.737 53 HH21 ARG 15 HH11 ARG 15 -12.744 6.060 20.712 54 HH22 ARG 15 HH12 ARG 15 -11.095 6.459 21.062 55 H VAL 16 H VAL 16 -15.531 12.919 16.357 56 HA VAL 16 HA VAL 16 -15.074 13.676 13.705 57 HB VAL 16 HB VAL 16 -17.127 14.735 15.665 58 HG11 VAL 16 HG11 VAL 16 -17.020 16.268 13.830 59 HG12 VAL 16 HG12 VAL 16 -18.383 15.202 13.489 60 HG13 VAL 16 HG13 VAL 16 -16.846 14.959 12.661 61 HG21 VAL 16 HG21 VAL 16 -17.297 12.327 15.385 62 HG22 VAL 16 HG22 VAL 16 -17.164 12.484 13.633 63 HG23 VAL 16 HG23 VAL 16 -18.597 13.087 14.466 64 H THR 17 H THR 17 -14.396 15.305 16.688 65 HA THR 17 HA THR 17 -14.121 17.944 15.589 66 HB THR 17 HB THR 17 -13.000 16.749 18.137 67 HG1 THR 17 HG1 THR 17 -15.292 16.778 17.958 68 HG21 THR 17 HG21 THR 17 -11.754 18.727 17.615 69 HG22 THR 17 HG22 THR 17 -12.967 19.210 18.802 70 HG23 THR 17 HG23 THR 17 -13.207 19.582 17.096 71 H GLU 18 H GLU 18 -11.709 15.602 16.808 72 HA GLU 18 HA GLU 18 -9.373 16.758 16.167 73 HB2 GLU 18 HB2 GLU 18 -9.762 14.408 17.065 74 HB3 GLU 18 HB3 GLU 18 -9.906 13.891 15.385 75 HG2 GLU 18 HG2 GLU 18 -7.620 13.551 15.935 76 HG3 GLU 18 HG3 GLU 18 -7.644 15.049 15.005 77 H ILE 19 H ILE 19 -11.660 15.450 13.837 78 HA ILE 19 HA ILE 19 -10.024 15.390 11.563 79 HB ILE 19 HB ILE 19 -12.949 16.165 11.643 80 HG12 ILE 19 HG12 ILE 19 -11.686 13.411 11.474 81 HG13 ILE 19 HG13 ILE 19 -12.452 14.073 12.918 82 HG21 ILE 19 HG21 ILE 19 -12.959 15.166 9.384 83 HG22 ILE 19 HG22 ILE 19 -11.233 14.834 9.522 84 HG23 ILE 19 HG23 ILE 19 -11.810 16.500 9.472 85 HD11 ILE 19 HD11 ILE 19 -14.549 14.401 11.535 86 HD12 ILE 19 HD12 ILE 19 -14.099 12.716 11.798 87 HD13 ILE 19 HD13 ILE 19 -13.761 13.487 10.250 88 H PHE 20 H PHE 20 -12.335 17.978 12.423 89 HA PHE 20 HA PHE 20 -11.379 19.842 10.558 90 HB2 PHE 20 HB2 PHE 20 -12.792 20.274 13.200 91 HB3 PHE 20 HB3 PHE 20 -12.538 21.531 11.989 92 HD1 PHE 20 HD1 PHE 20 -13.579 21.318 9.726 93 HD2 PHE 20 HD2 PHE 20 -14.464 18.577 12.912 94 HE1 PHE 20 HE1 PHE 20 -15.596 20.547 8.503 95 HE2 PHE 20 HE2 PHE 20 -16.476 17.802 11.688 96 HZ PHE 20 HZ PHE 20 -17.044 18.790 9.484 97 H LYS 21 H LYS 21 -10.782 19.758 14.084 98 HA LYS 21 HA LYS 21 -9.044 21.829 14.349 99 HB2 LYS 21 HB2 LYS 21 -9.863 20.224 16.151 100 HB3 LYS 21 HB3 LYS 21 -8.553 19.155 15.665 101 HG2 LYS 21 HG2 LYS 21 -7.543 20.355 17.395 102 HG3 LYS 21 HG3 LYS 21 -7.039 21.286 15.990 103 HD2 LYS 21 HD2 LYS 21 -8.797 22.925 16.388 104 HD3 LYS 21 HD3 LYS 21 -9.470 21.940 17.687 105 HE2 LYS 21 HE2 LYS 21 -6.645 23.029 17.713 106 HE3 LYS 21 HE3 LYS 21 -8.012 23.849 18.469 107 HZ1 LYS 21 HZ1 LYS 21 -8.394 21.621 19.629 108 HZ2 LYS 21 HZ2 LYS 21 -7.108 22.589 20.172 109 HZ3 LYS 21 HZ3 LYS 21 -6.801 21.252 19.171 110 H ALA 22 H ALA 22 -8.310 18.645 13.020 111 HA ALA 22 HA ALA 22 -5.477 19.115 12.831 112 HB1 ALA 22 HB1 ALA 22 -6.289 16.833 12.958 113 HB2 ALA 22 HB2 ALA 22 -5.521 17.071 11.388 114 HB3 ALA 22 HB3 ALA 22 -7.280 17.067 11.519 115 H LEU 23 H LEU 23 -8.263 19.808 10.905 116 HA LEU 23 HA LEU 23 -6.788 20.294 8.457 117 HB2 LEU 23 HB2 LEU 23 -9.331 19.573 8.905 118 HB3 LEU 23 HB3 LEU 23 -9.582 21.307 8.894 119 HG LEU 23 HG LEU 23 -9.951 20.533 6.669 120 HD11 LEU 23 HD11 LEU 23 -7.145 21.619 6.556 121 HD12 LEU 23 HD12 LEU 23 -8.508 22.618 7.070 122 HD13 LEU 23 HD13 LEU 23 -8.486 21.918 5.453 123 HD21 LEU 23 HD21 LEU 23 -8.668 19.027 5.481 124 HD22 LEU 23 HD22 LEU 23 -8.441 18.405 7.109 125 HD23 LEU 23 HD23 LEU 23 -7.189 19.391 6.359 126 H GLY 24 H GLY 24 -7.948 22.086 11.220 127 HA2 GLY 24 HA2 GLY 24 -7.622 24.701 10.077 128 HA3 GLY 24 HA3 GLY 24 -7.827 24.325 11.785 129 H ASP 25 H ASP 25 -5.515 24.650 9.168 130 HA ASP 25 HA ASP 25 -3.453 25.460 11.013 131 HB2 ASP 25 HB2 ASP 25 -3.252 22.834 9.540 132 HB3 ASP 25 HB3 ASP 25 -1.831 23.705 10.115 133 H TYR 26 H TYR 26 -2.473 27.101 10.041 134 HA TYR 26 HA TYR 26 -2.905 27.901 7.408 135 HB2 TYR 26 HB2 TYR 26 -2.069 29.386 9.199 136 HB3 TYR 26 HB3 TYR 26 -0.522 28.541 9.164 137 HD1 TYR 26 HD2 TYR 26 0.961 28.702 7.190 138 HD2 TYR 26 HD1 TYR 26 -2.707 30.924 7.443 139 HE1 TYR 26 HE2 TYR 26 1.715 30.160 5.330 140 HE2 TYR 26 HE1 TYR 26 -1.948 32.387 5.590 141 HH TYR 26 HH TYR 26 -0.301 32.871 4.187 142 H ASN 27 H ASN 27 -0.430 25.813 8.768 143 HA ASN 27 HA ASN 27 1.237 25.801 6.444 144 HB2 ASN 27 HB2 ASN 27 2.072 25.296 8.720 145 HB3 ASN 27 HB3 ASN 27 1.112 23.817 8.726 146 HD21 ASN 27 HD21 ASN 27 3.118 22.524 8.859 147 HD22 ASN 27 HD22 ASN 27 4.100 22.322 7.491 148 H ARG 28 H ARG 28 -0.999 23.377 7.823 149 HA ARG 28 HA ARG 28 -0.666 21.546 5.675 150 HB2 ARG 28 HB2 ARG 28 -3.062 21.687 7.503 151 HB3 ARG 28 HB3 ARG 28 -2.396 20.271 6.693 152 HG2 ARG 28 HG2 ARG 28 -1.043 21.872 8.883 153 HG3 ARG 28 HG3 ARG 28 -1.749 20.268 9.059 154 HD2 ARG 28 HD2 ARG 28 -0.119 19.596 7.132 155 HD3 ARG 28 HD3 ARG 28 0.728 21.082 7.552 156 HE ARG 28 HE ARG 28 0.807 18.645 9.008 157 HH11 ARG 28 HH21 ARG 28 0.686 22.088 9.358 158 HH12 ARG 28 HH22 ARG 28 1.405 22.089 10.933 159 HH21 ARG 28 HH11 ARG 28 1.801 18.647 11.046 160 HH22 ARG 28 HH12 ARG 28 2.055 20.144 11.880 161 H ILE 29 H ILE 29 -3.286 23.832 6.467 162 HA ILE 29 HA ILE 29 -5.092 23.215 4.526 163 HB ILE 29 HB ILE 29 -5.338 25.005 6.275 164 HG12 ILE 29 HG12 ILE 29 -6.701 26.522 4.796 165 HG13 ILE 29 HG13 ILE 29 -6.036 25.682 3.401 166 HG21 ILE 29 HG21 ILE 29 -3.974 26.772 4.234 167 HG22 ILE 29 HG22 ILE 29 -3.144 26.117 5.644 168 HG23 ILE 29 HG23 ILE 29 -4.512 27.211 5.853 169 HD11 ILE 29 HD11 ILE 29 -7.247 23.753 3.811 170 HD12 ILE 29 HD12 ILE 29 -8.359 24.957 4.454 171 HD13 ILE 29 HD13 ILE 29 -7.336 24.035 5.551 172 H ARG 30 H ARG 30 -2.128 25.141 4.084 173 HA ARG 30 HA ARG 30 -2.726 25.911 1.414 174 HB2 ARG 30 HB2 ARG 30 -1.114 27.142 2.773 175 HB3 ARG 30 HB3 ARG 30 -0.081 25.716 2.874 176 HG2 ARG 30 HG2 ARG 30 0.406 25.783 0.539 177 HG3 ARG 30 HG3 ARG 30 -0.889 26.939 0.229 178 HD2 ARG 30 HD2 ARG 30 1.344 28.028 0.240 179 HD3 ARG 30 HD3 ARG 30 0.298 28.654 1.512 180 HE ARG 30 HE ARG 30 1.939 26.474 2.421 181 HH11 ARG 30 HH21 ARG 30 1.799 29.866 1.746 182 HH12 ARG 30 HH22 ARG 30 3.059 30.280 2.860 183 HH21 ARG 30 HH11 ARG 30 3.597 27.009 3.879 184 HH22 ARG 30 HH12 ARG 30 4.083 28.663 4.061 185 H ILE 31 H ILE 31 -1.092 23.135 2.842 186 HA ILE 31 HA ILE 31 0.076 22.171 0.432 187 HB ILE 31 HB ILE 31 -0.678 20.706 2.971 188 HG12 ILE 31 HG12 ILE 31 1.996 21.780 2.017 189 HG13 ILE 31 HG13 ILE 31 0.955 22.616 3.168 190 HG21 ILE 31 HG21 ILE 31 0.977 19.923 0.558 191 HG22 ILE 31 HG22 ILE 31 -0.417 19.079 1.231 192 HG23 ILE 31 HG23 ILE 31 1.110 19.095 2.108 193 HD11 ILE 31 HD11 ILE 31 2.475 21.430 4.534 194 HD12 ILE 31 HD12 ILE 31 2.408 19.995 3.512 195 HD13 ILE 31 HD13 ILE 31 1.035 20.414 4.535 196 H MET 32 H MET 32 -2.952 21.411 2.131 197 HA MET 32 HA MET 32 -3.884 19.342 0.531 198 HB2 MET 32 HB2 MET 32 -5.459 21.571 1.842 199 HB3 MET 32 HB3 MET 32 -6.156 20.078 1.212 200 HG2 MET 32 HG2 MET 32 -3.938 20.095 3.271 201 HG3 MET 32 HG3 MET 32 -5.646 20.094 3.716 202 HE1 MET 32 HE1 MET 32 -4.814 18.049 5.090 203 HE2 MET 32 HE2 MET 32 -3.245 17.813 4.321 204 HE3 MET 32 HE3 MET 32 -4.386 16.472 4.422 205 H GLU 33 H GLU 33 -3.875 22.810 -0.065 206 HA GLU 33 HA GLU 33 -5.610 22.716 -2.331 207 HB2 GLU 33 HB2 GLU 33 -5.194 24.767 -0.976 208 HB3 GLU 33 HB3 GLU 33 -3.554 24.820 -1.623 209 HG2 GLU 33 HG2 GLU 33 -4.427 25.016 -3.900 210 HG3 GLU 33 HG3 GLU 33 -6.078 24.867 -3.302 211 H LEU 34 H LEU 34 -2.163 22.309 -1.867 212 HA LEU 34 HA LEU 34 -1.486 22.654 -4.633 213 HB2 LEU 34 HB2 LEU 34 0.200 23.068 -2.946 214 HB3 LEU 34 HB3 LEU 34 0.031 21.434 -2.314 215 HG LEU 34 HG LEU 34 0.935 20.489 -4.363 216 HD11 LEU 34 HD11 LEU 34 0.130 21.849 -6.111 217 HD12 LEU 34 HD12 LEU 34 1.855 22.201 -6.089 218 HD13 LEU 34 HD13 LEU 34 0.716 23.330 -5.354 219 HD21 LEU 34 HD21 LEU 34 2.558 21.213 -2.697 220 HD22 LEU 34 HD22 LEU 34 2.546 22.849 -3.355 221 HD23 LEU 34 HD23 LEU 34 3.202 21.520 -4.310 222 H LEU 35 H LEU 35 -1.521 19.775 -2.506 223 HA LEU 35 HA LEU 35 -1.133 17.907 -4.580 224 HB2 LEU 35 HB2 LEU 35 -2.296 17.683 -1.804 225 HB3 LEU 35 HB3 LEU 35 -2.201 16.288 -2.875 226 HG LEU 35 HG LEU 35 0.257 16.714 -3.130 227 HD11 LEU 35 HD11 LEU 35 -0.397 18.856 -1.102 228 HD12 LEU 35 HD12 LEU 35 0.514 19.008 -2.602 229 HD13 LEU 35 HD13 LEU 35 1.222 18.168 -1.226 230 HD21 LEU 35 HD21 LEU 35 0.840 15.830 -0.909 231 HD22 LEU 35 HD22 LEU 35 -0.624 15.062 -1.521 232 HD23 LEU 35 HD23 LEU 35 -0.737 16.321 -0.292 233 H SER 36 H SER 36 -3.946 19.633 -3.527 234 HA SER 36 HA SER 36 -5.949 17.891 -4.510 235 HB2 SER 36 HB2 SER 36 -6.742 19.590 -3.101 236 HB3 SER 36 HB3 SER 36 -5.831 20.842 -3.943 237 HG SER 36 HG SER 36 -7.214 20.627 -5.693 238 H VAL 37 H VAL 37 -4.946 20.990 -5.966 239 HA VAL 37 HA VAL 37 -6.059 20.626 -8.468 240 HB VAL 37 HB VAL 37 -3.424 21.993 -7.861 241 HG11 VAL 37 HG11 VAL 37 -5.416 22.222 -10.133 242 HG12 VAL 37 HG12 VAL 37 -3.727 21.729 -10.242 243 HG13 VAL 37 HG13 VAL 37 -4.134 23.397 -9.838 244 HG21 VAL 37 HG21 VAL 37 -4.719 23.978 -7.442 245 HG22 VAL 37 HG22 VAL 37 -5.415 22.694 -6.453 246 HG23 VAL 37 HG23 VAL 37 -6.209 23.182 -7.950 247 H SER 38 H SER 38 -2.945 19.484 -7.243 248 HA SER 38 HA SER 38 -2.872 17.345 -9.153 249 HB2 SER 38 HB2 SER 38 -0.848 19.581 -9.440 250 HB3 SER 38 HB3 SER 38 -0.787 18.032 -10.279 251 HG SER 38 HG SER 38 -3.065 18.701 -10.913 252 H GLU 39 H GLU 39 -1.693 15.696 -8.357 253 HA GLU 39 HA GLU 39 -0.740 15.649 -5.748 254 HB2 GLU 39 HB2 GLU 39 0.114 13.942 -8.100 255 HB3 GLU 39 HB3 GLU 39 0.459 13.574 -6.411 256 HG2 GLU 39 HG2 GLU 39 -1.501 12.332 -6.913 257 HG3 GLU 39 HG3 GLU 39 -2.076 13.741 -6.026 258 H ALA 40 H ALA 40 1.570 15.190 -5.088 259 HA ALA 40 HA ALA 40 3.653 16.419 -6.698 260 HB1 ALA 40 HB1 ALA 40 4.239 18.084 -4.946 261 HB2 ALA 40 HB2 ALA 40 2.756 17.667 -4.087 262 HB3 ALA 40 HB3 ALA 40 2.671 18.406 -5.687 263 H SER 41 H SER 41 5.737 15.942 -5.960 264 HA SER 41 HA SER 41 5.899 13.678 -4.111 265 HB2 SER 41 HB2 SER 41 8.295 13.643 -4.868 266 HB3 SER 41 HB3 SER 41 7.123 13.434 -6.168 267 HG SER 41 HG SER 41 8.683 14.963 -6.747 268 H VAL 42 H VAL 42 7.777 13.680 -2.560 269 HA VAL 42 HA VAL 42 7.479 15.699 -0.660 270 HB VAL 42 HB VAL 42 9.794 13.792 -1.072 271 HG11 VAL 42 HG11 VAL 42 9.031 15.605 1.228 272 HG12 VAL 42 HG12 VAL 42 10.567 15.548 0.363 273 HG13 VAL 42 HG13 VAL 42 10.101 14.217 1.423 274 HG21 VAL 42 HG21 VAL 42 7.602 12.704 -0.741 275 HG22 VAL 42 HG22 VAL 42 7.340 13.673 0.709 276 HG23 VAL 42 HG23 VAL 42 8.635 12.476 0.670 277 H GLY 43 H GLY 43 10.284 15.167 -2.809 278 HA2 GLY 43 HA2 GLY 43 11.701 17.464 -2.077 279 HA3 GLY 43 HA3 GLY 43 11.887 16.611 -3.603 280 H HIS 44 H HIS 44 9.059 17.047 -4.345 281 HA HIS 44 HA HIS 44 9.406 19.470 -5.774 282 HB2 HIS 44 HB2 HIS 44 8.007 17.585 -6.570 283 HB3 HIS 44 HB3 HIS 44 6.849 17.924 -5.283 284 HD1 HIS 44 HD1 HIS 44 4.928 19.228 -6.171 285 HD2 HIS 44 HD2 HIS 44 8.496 20.329 -8.025 286 HE1 HIS 44 HE1 HIS 44 4.350 21.090 -7.784 287 HE2 HIS 44 HE2 HIS 44 6.511 21.768 -8.930 288 H ILE 45 H ILE 45 8.127 18.772 -2.641 289 HA ILE 45 HA ILE 45 6.510 21.146 -2.433 290 HB ILE 45 HB ILE 45 7.518 19.205 -0.342 291 HG12 ILE 45 HG12 ILE 45 4.732 19.593 -1.460 292 HG13 ILE 45 HG13 ILE 45 5.870 18.423 -2.125 293 HG21 ILE 45 HG21 ILE 45 7.092 21.272 0.792 294 HG22 ILE 45 HG22 ILE 45 5.652 20.280 1.027 295 HG23 ILE 45 HG23 ILE 45 5.644 21.576 -0.169 296 HD11 ILE 45 HD11 ILE 45 4.441 17.301 -0.500 297 HD12 ILE 45 HD12 ILE 45 4.828 18.512 0.722 298 HD13 ILE 45 HD13 ILE 45 6.076 17.404 0.153 299 H SER 46 H SER 46 9.832 20.272 -1.672 300 HA SER 46 HA SER 46 10.575 22.205 0.122 301 HB2 SER 46 HB2 SER 46 12.204 20.611 -0.552 302 HB3 SER 46 HB3 SER 46 12.064 21.074 -2.248 303 HG SER 46 HG SER 46 12.803 22.976 -0.318 304 H HIS 47 H HIS 47 10.179 22.580 -3.384 305 HA HIS 47 HA HIS 47 11.196 25.189 -3.599 306 HB2 HIS 47 HB2 HIS 47 10.763 23.756 -5.545 307 HB3 HIS 47 HB3 HIS 47 9.029 23.853 -5.240 308 HD1 HIS 47 HD1 HIS 47 8.663 25.063 -7.536 309 HD2 HIS 47 HD2 HIS 47 11.102 27.154 -4.879 310 HE1 HIS 47 HE1 HIS 47 8.875 27.410 -8.456 311 HE2 HIS 47 HE2 HIS 47 10.356 28.701 -6.847 312 H GLN 48 H GLN 48 8.352 24.056 -2.129 313 HA GLN 48 HA GLN 48 6.898 26.597 -2.393 314 HB2 GLN 48 HB2 GLN 48 6.099 24.087 -0.908 315 HB3 GLN 48 HB3 GLN 48 5.066 25.458 -1.307 316 HG2 GLN 48 HG2 GLN 48 6.486 23.755 -3.374 317 HG3 GLN 48 HG3 GLN 48 4.813 23.510 -2.878 318 HE21 GLN 48 HE21 GLN 48 6.392 24.741 -5.407 319 HE22 GLN 48 HE22 GLN 48 5.412 26.074 -5.788 320 H LEU 49 H LEU 49 7.907 24.468 0.304 321 HA LEU 49 HA LEU 49 7.729 26.737 2.161 322 HB2 LEU 49 HB2 LEU 49 8.055 23.757 2.501 323 HB3 LEU 49 HB3 LEU 49 8.301 24.871 3.843 324 HG LEU 49 HG LEU 49 6.008 25.795 3.433 325 HD11 LEU 49 HD11 LEU 49 4.508 24.193 2.074 326 HD12 LEU 49 HD12 LEU 49 6.008 23.578 1.379 327 HD13 LEU 49 HD13 LEU 49 5.561 25.272 1.163 328 HD21 LEU 49 HD21 LEU 49 4.826 23.729 4.295 329 HD22 LEU 49 HD22 LEU 49 6.285 24.168 5.184 330 HD23 LEU 49 HD23 LEU 49 6.327 22.843 4.022 331 H ASN 50 H ASN 50 10.104 24.596 0.689 332 HA ASN 50 HA ASN 50 12.403 24.587 0.733 333 HB2 ASN 50 HB2 ASN 50 11.892 27.511 1.321 334 HB3 ASN 50 HB3 ASN 50 13.484 26.839 0.973 335 HD21 ASN 50 HD21 ASN 50 10.572 28.018 -0.465 336 HD22 ASN 50 HD22 ASN 50 10.943 27.603 -2.069 337 H LEU 51 H LEU 51 12.538 23.208 2.542 338 HA LEU 51 HA LEU 51 13.852 24.385 4.826 339 HB2 LEU 51 HB2 LEU 51 12.115 23.154 6.380 340 HB3 LEU 51 HB3 LEU 51 11.750 24.759 5.762 341 HG LEU 51 HG LEU 51 10.404 23.826 3.969 342 HD11 LEU 51 HD11 LEU 51 9.965 21.286 4.076 343 HD12 LEU 51 HD12 LEU 51 11.434 21.198 5.046 344 HD13 LEU 51 HD13 LEU 51 11.503 21.803 3.389 345 HD21 LEU 51 HD21 LEU 51 8.675 22.628 5.394 346 HD22 LEU 51 HD22 LEU 51 9.203 24.192 6.014 347 HD23 LEU 51 HD23 LEU 51 9.833 22.705 6.722 348 H SER 52 H SER 52 13.714 22.278 6.587 349 HA SER 52 HA SER 52 15.489 20.397 5.379 350 HB2 SER 52 HB2 SER 52 15.416 21.126 7.833 351 HB3 SER 52 HB3 SER 52 14.052 20.023 8.007 352 HG SER 52 HG SER 52 15.723 18.738 8.414 353 H GLN 53 H GLN 53 15.010 18.627 4.256 354 HA GLN 53 HA GLN 53 12.445 17.838 3.536 355 HB2 GLN 53 HB2 GLN 53 14.851 16.011 3.697 356 HB3 GLN 53 HB3 GLN 53 13.455 15.845 2.633 357 HG2 GLN 53 HG2 GLN 53 14.061 18.095 1.645 358 HG3 GLN 53 HG3 GLN 53 15.559 18.024 2.573 359 HE21 GLN 53 HE21 GLN 53 17.250 16.675 1.781 360 HE22 GLN 53 HE22 GLN 53 17.116 15.764 0.355 361 H SER 54 H SER 54 14.385 16.907 6.309 362 HA SER 54 HA SER 54 12.903 14.637 7.099 363 HB2 SER 54 HB2 SER 54 15.174 15.342 7.966 364 HB3 SER 54 HB3 SER 54 14.342 16.552 8.943 365 HG SER 54 HG SER 54 14.268 14.917 10.288 366 H ASN 55 H ASN 55 12.153 17.973 7.177 367 HA ASN 55 HA ASN 55 10.357 17.919 9.414 368 HB2 ASN 55 HB2 ASN 55 11.509 19.972 8.420 369 HB3 ASN 55 HB3 ASN 55 10.306 19.897 7.134 370 HD21 ASN 55 HD21 ASN 55 8.728 21.443 7.588 371 HD22 ASN 55 HD22 ASN 55 8.046 21.710 9.118 372 H VAL 56 H VAL 56 9.979 17.703 5.891 373 HA VAL 56 HA VAL 56 7.130 17.624 5.939 374 HB VAL 56 HB VAL 56 8.898 16.473 3.777 375 HG11 VAL 56 HG11 VAL 56 6.479 16.103 3.547 376 HG12 VAL 56 HG12 VAL 56 7.037 17.259 2.338 377 HG13 VAL 56 HG13 VAL 56 6.182 17.826 3.772 378 HG21 VAL 56 HG21 VAL 56 8.216 19.355 4.406 379 HG22 VAL 56 HG22 VAL 56 8.783 18.825 2.821 380 HG23 VAL 56 HG23 VAL 56 9.821 18.643 4.236 381 H SER 57 H SER 57 9.646 15.124 5.830 382 HA SER 57 HA SER 57 8.030 12.885 5.425 383 HB2 SER 57 HB2 SER 57 10.517 12.861 5.404 384 HB3 SER 57 HB3 SER 57 10.509 13.048 7.157 385 HG SER 57 HG SER 57 10.608 10.895 6.817 386 H HIS 58 H HIS 58 8.761 14.679 8.369 387 HA HIS 58 HA HIS 58 7.384 12.815 10.095 388 HB2 HIS 58 HB2 HIS 58 8.173 15.663 10.725 389 HB3 HIS 58 HB3 HIS 58 7.892 14.345 11.862 390 HD1 HIS 58 HD1 HIS 58 9.575 12.675 9.310 391 HD2 HIS 58 HD2 HIS 58 10.859 15.431 12.163 392 HE1 HIS 58 HE1 HIS 58 12.081 12.382 9.509 393 HE2 HIS 58 HE2 HIS 58 12.882 14.054 11.244 394 H GLN 59 H GLN 59 6.649 15.833 8.448 395 HA GLN 59 HA GLN 59 4.192 16.347 9.802 396 HB2 GLN 59 HB2 GLN 59 5.590 18.012 8.474 397 HB3 GLN 59 HB3 GLN 59 4.921 17.270 7.020 398 HG2 GLN 59 HG2 GLN 59 2.627 17.728 7.893 399 HG3 GLN 59 HG3 GLN 59 3.348 18.569 9.264 400 HE21 GLN 59 HE21 GLN 59 5.216 20.224 8.313 401 HE22 GLN 59 HE22 GLN 59 4.627 21.236 7.083 402 H LEU 60 H LEU 60 4.787 15.253 6.449 403 HA LEU 60 HA LEU 60 2.196 14.659 5.746 404 HB2 LEU 60 HB2 LEU 60 4.202 14.587 4.241 405 HB3 LEU 60 HB3 LEU 60 4.631 13.042 4.963 406 HG LEU 60 HG LEU 60 2.378 12.163 4.258 407 HD11 LEU 60 HD11 LEU 60 0.978 13.996 3.884 408 HD12 LEU 60 HD12 LEU 60 1.431 13.569 2.242 409 HD13 LEU 60 HD13 LEU 60 2.226 14.918 3.048 410 HD21 LEU 60 HD21 LEU 60 4.274 13.192 2.131 411 HD22 LEU 60 HD22 LEU 60 3.048 11.955 1.858 412 HD23 LEU 60 HD23 LEU 60 4.376 11.648 2.977 413 H LYS 61 H LYS 61 4.392 12.801 7.753 414 HA LYS 61 HA LYS 61 2.946 10.358 7.713 415 HB2 LYS 61 HB2 LYS 61 5.310 10.584 8.466 416 HB3 LYS 61 HB3 LYS 61 4.741 11.441 9.898 417 HG2 LYS 61 HG2 LYS 61 3.587 9.522 10.713 418 HG3 LYS 61 HG3 LYS 61 3.721 8.691 9.165 419 HD2 LYS 61 HD2 LYS 61 5.344 7.819 10.835 420 HD3 LYS 61 HD3 LYS 61 6.146 8.519 9.430 421 HE2 LYS 61 HE2 LYS 61 7.049 9.173 11.762 422 HE3 LYS 61 HE3 LYS 61 6.759 10.477 10.610 423 HZ1 LYS 61 HZ1 LYS 61 5.857 10.736 12.968 424 HZ2 LYS 61 HZ2 LYS 61 4.664 9.620 12.506 425 HZ3 LYS 61 HZ3 LYS 61 4.811 11.097 11.680 426 H LEU 62 H LEU 62 2.744 13.258 9.710 427 HA LEU 62 HA LEU 62 1.007 12.183 11.681 428 HB2 LEU 62 HB2 LEU 62 2.389 14.303 11.863 429 HB3 LEU 62 HB3 LEU 62 1.208 15.069 10.810 430 HG LEU 62 HG LEU 62 -0.552 14.197 12.553 431 HD11 LEU 62 HD11 LEU 62 0.426 14.204 14.878 432 HD12 LEU 62 HD12 LEU 62 2.025 14.100 14.150 433 HD13 LEU 62 HD13 LEU 62 0.863 12.794 13.920 434 HD21 LEU 62 HD21 LEU 62 1.364 16.443 13.241 435 HD22 LEU 62 HD22 LEU 62 -0.261 16.245 13.897 436 HD23 LEU 62 HD23 LEU 62 -0.039 16.574 12.180 437 H LEU 63 H LEU 63 0.454 13.833 8.606 438 HA LEU 63 HA LEU 63 -2.342 14.188 8.898 439 HB2 LEU 63 HB2 LEU 63 -0.919 13.756 6.271 440 HB3 LEU 63 HB3 LEU 63 -2.365 14.714 6.583 441 HG LEU 63 HG LEU 63 0.430 15.325 7.592 442 HD11 LEU 63 HD11 LEU 63 0.041 15.753 5.172 443 HD12 LEU 63 HD12 LEU 63 0.298 17.241 6.080 444 HD13 LEU 63 HD13 LEU 63 -1.332 16.776 5.596 445 HD21 LEU 63 HD21 LEU 63 -2.262 16.615 8.073 446 HD22 LEU 63 HD22 LEU 63 -0.759 17.521 8.247 447 HD23 LEU 63 HD23 LEU 63 -1.061 16.113 9.263 448 H LYS 64 H LYS 64 -0.375 11.460 8.024 449 HA LYS 64 HA LYS 64 -2.379 9.925 6.713 450 HB2 LYS 64 HB2 LYS 64 0.024 9.433 6.490 451 HB3 LYS 64 HB3 LYS 64 0.095 9.005 8.199 452 HG2 LYS 64 HG2 LYS 64 -1.343 7.122 7.886 453 HG3 LYS 64 HG3 LYS 64 -1.801 7.655 6.270 454 HD2 LYS 64 HD2 LYS 64 -0.136 5.795 6.230 455 HD3 LYS 64 HD3 LYS 64 0.463 7.260 5.452 456 HE2 LYS 64 HE2 LYS 64 2.035 6.041 7.120 457 HE3 LYS 64 HE3 LYS 64 1.874 7.790 7.267 458 HZ1 LYS 64 HZ1 LYS 64 0.744 7.620 9.193 459 HZ2 LYS 64 HZ2 LYS 64 1.558 6.132 9.304 460 HZ3 LYS 64 HZ3 LYS 64 -0.047 6.186 8.748 461 H SER 65 H SER 65 -1.373 10.257 10.078 462 HA SER 65 HA SER 65 -2.590 8.113 11.280 463 HB2 SER 65 HB2 SER 65 -2.511 10.976 12.262 464 HB3 SER 65 HB3 SER 65 -2.897 9.579 13.266 465 HG SER 65 HG SER 65 -0.625 9.237 11.806 466 H VAL 66 H VAL 66 -4.136 11.232 10.496 467 HA VAL 66 HA VAL 66 -6.732 10.311 11.327 468 HB VAL 66 HB VAL 66 -6.185 12.712 9.584 469 HG11 VAL 66 HG11 VAL 66 -8.072 13.634 10.964 470 HG12 VAL 66 HG12 VAL 66 -8.246 12.047 11.710 471 HG13 VAL 66 HG13 VAL 66 -8.533 12.246 9.982 472 HG21 VAL 66 HG21 VAL 66 -4.566 12.921 11.330 473 HG22 VAL 66 HG22 VAL 66 -5.703 12.344 12.547 474 HG23 VAL 66 HG23 VAL 66 -5.929 13.931 11.811 475 H HIS 67 H HIS 67 -4.887 9.539 8.737 476 HA HIS 67 HA HIS 67 -5.297 8.489 6.748 477 HB2 HIS 67 HB2 HIS 67 -6.900 7.223 8.248 478 HB3 HIS 67 HB3 HIS 67 -8.174 8.285 7.648 479 HD1 HIS 67 HD1 HIS 67 -9.280 7.568 5.531 480 HD2 HIS 67 HD2 HIS 67 -5.523 5.814 5.969 481 HE1 HIS 67 HE1 HIS 67 -9.009 5.967 3.589 482 HE2 HIS 67 HE2 HIS 67 -6.724 4.889 3.841 483 H LEU 68 H LEU 68 -5.889 11.469 7.164 484 HA LEU 68 HA LEU 68 -7.956 12.124 5.302 485 HB2 LEU 68 HB2 LEU 68 -5.634 13.706 6.409 486 HB3 LEU 68 HB3 LEU 68 -6.812 14.399 5.303 487 HG LEU 68 HG LEU 68 -7.716 13.009 7.830 488 HD11 LEU 68 HD11 LEU 68 -7.672 15.135 9.013 489 HD12 LEU 68 HD12 LEU 68 -7.018 15.949 7.593 490 HD13 LEU 68 HD13 LEU 68 -6.042 14.760 8.454 491 HD21 LEU 68 HD21 LEU 68 -8.887 15.151 6.027 492 HD22 LEU 68 HD22 LEU 68 -9.574 14.715 7.587 493 HD23 LEU 68 HD23 LEU 68 -9.508 13.523 6.298 494 H VAL 69 H VAL 69 -4.920 10.794 4.902 495 HA VAL 69 HA VAL 69 -4.893 11.473 2.019 496 HB VAL 69 HB VAL 69 -2.439 11.373 3.789 497 HG11 VAL 69 HG11 VAL 69 -2.913 12.057 0.875 498 HG12 VAL 69 HG12 VAL 69 -1.953 10.722 1.512 499 HG13 VAL 69 HG13 VAL 69 -1.401 12.384 1.723 500 HG21 VAL 69 HG21 VAL 69 -3.977 13.716 2.633 501 HG22 VAL 69 HG22 VAL 69 -2.357 13.842 3.317 502 HG23 VAL 69 HG23 VAL 69 -3.712 13.364 4.340 503 H LYS 70 H LYS 70 -3.860 9.905 0.696 504 HA LYS 70 HA LYS 70 -3.084 7.347 1.873 505 HB2 LYS 70 HB2 LYS 70 -5.614 7.341 1.578 506 HB3 LYS 70 HB3 LYS 70 -5.321 7.444 -0.157 507 HG2 LYS 70 HG2 LYS 70 -3.793 5.395 0.151 508 HG3 LYS 70 HG3 LYS 70 -4.533 5.228 1.742 509 HD2 LYS 70 HD2 LYS 70 -5.996 5.247 -0.915 510 HD3 LYS 70 HD3 LYS 70 -5.727 3.839 0.112 511 HE2 LYS 70 HE2 LYS 70 -6.943 5.179 1.954 512 HE3 LYS 70 HE3 LYS 70 -7.471 6.245 0.653 513 HZ1 LYS 70 HZ1 LYS 70 -8.668 3.918 1.411 514 HZ2 LYS 70 HZ2 LYS 70 -7.818 3.487 0.005 515 HZ3 LYS 70 HZ3 LYS 70 -8.944 4.757 -0.039 516 H ALA 71 H ALA 71 -1.349 6.690 0.804 517 HA ALA 71 HA ALA 71 -0.830 7.699 -1.929 518 HB1 ALA 71 HB1 ALA 71 0.825 8.086 -0.045 519 HB2 ALA 71 HB2 ALA 71 1.476 7.302 -1.484 520 HB3 ALA 71 HB3 ALA 71 1.108 6.345 -0.049 521 H LYS 72 H LYS 72 0.433 6.158 -3.320 522 HA LYS 72 HA LYS 72 -0.161 3.316 -2.931 523 HB2 LYS 72 HB2 LYS 72 -1.167 4.901 -5.309 524 HB3 LYS 72 HB3 LYS 72 -1.197 3.143 -5.176 525 HG2 LYS 72 HG2 LYS 72 -2.528 3.454 -3.024 526 HG3 LYS 72 HG3 LYS 72 -2.686 5.152 -3.472 527 HD2 LYS 72 HD2 LYS 72 -3.780 4.535 -5.568 528 HD3 LYS 72 HD3 LYS 72 -3.545 2.823 -5.214 529 HE2 LYS 72 HE2 LYS 72 -4.984 2.989 -3.252 530 HE3 LYS 72 HE3 LYS 72 -5.143 4.730 -3.479 531 HZ1 LYS 72 HZ1 LYS 72 -7.020 3.350 -4.357 532 HZ2 LYS 72 HZ2 LYS 72 -5.951 2.756 -5.535 533 HZ3 LYS 72 HZ3 LYS 72 -6.320 4.412 -5.482 534 H ARG 73 H ARG 73 0.886 1.989 -4.639 535 HA ARG 73 HA ARG 73 3.536 3.067 -5.247 536 HB2 ARG 73 HB2 ARG 73 3.160 0.768 -4.253 537 HB3 ARG 73 HB3 ARG 73 2.473 0.294 -5.807 538 HG2 ARG 73 HG2 ARG 73 4.554 0.836 -6.947 539 HG3 ARG 73 HG3 ARG 73 5.245 1.470 -5.454 540 HD2 ARG 73 HD2 ARG 73 4.872 -0.837 -4.446 541 HD3 ARG 73 HD3 ARG 73 4.502 -1.397 -6.074 542 HE ARG 73 HE ARG 73 6.980 -0.026 -6.093 543 HH11 ARG 73 HH21 ARG 73 5.465 -2.934 -4.984 544 HH12 ARG 73 HH22 ARG 73 6.916 -3.876 -5.043 545 HH21 ARG 73 HH11 ARG 73 8.886 -1.256 -6.173 546 HH22 ARG 73 HH12 ARG 73 8.852 -2.928 -5.722 547 H GLN 74 H GLN 74 4.214 3.652 -7.228 548 HA GLN 74 HA GLN 74 2.865 2.709 -9.633 549 HB2 GLN 74 HB2 GLN 74 2.899 5.639 -8.859 550 HB3 GLN 74 HB3 GLN 74 2.504 5.037 -10.469 551 HG2 GLN 74 HG2 GLN 74 0.720 3.593 -9.322 552 HG3 GLN 74 HG3 GLN 74 0.996 4.581 -7.889 553 HE21 GLN 74 HE21 GLN 74 0.883 5.510 -11.372 554 HE22 GLN 74 HE22 GLN 74 -0.351 6.659 -11.172 555 H GLY 75 H GLY 75 4.605 1.970 -10.667 556 HA2 GLY 75 HA2 GLY 75 6.518 2.131 -11.976 557 HA3 GLY 75 HA3 GLY 75 6.652 3.826 -11.519 558 H GLN 76 H GLN 76 8.835 3.755 -11.019 559 HA GLN 76 HA GLN 76 9.779 1.879 -8.952 560 HB2 GLN 76 HB2 GLN 76 11.432 3.926 -10.426 561 HB3 GLN 76 HB3 GLN 76 11.964 2.436 -9.644 562 HG2 GLN 76 HG2 GLN 76 10.263 2.665 -12.143 563 HG3 GLN 76 HG3 GLN 76 11.925 2.084 -12.049 564 HE21 GLN 76 HE21 GLN 76 12.265 0.015 -10.790 565 HE22 GLN 76 HE22 GLN 76 10.994 -1.107 -10.707 566 H SER 77 H SER 77 8.075 4.519 -8.758 567 HA SER 77 HA SER 77 9.527 5.595 -6.409 568 HB2 SER 77 HB2 SER 77 10.003 7.139 -8.210 569 HB3 SER 77 HB3 SER 77 8.301 7.192 -8.669 570 HG SER 77 HG SER 77 8.366 8.866 -7.368 571 H MET 78 H MET 78 8.138 6.886 -5.005 572 HA MET 78 HA MET 78 5.417 5.745 -4.829 573 HB2 MET 78 HB2 MET 78 6.952 7.329 -2.759 574 HB3 MET 78 HB3 MET 78 5.473 6.402 -2.515 575 HG2 MET 78 HG2 MET 78 7.204 4.983 -1.726 576 HG3 MET 78 HG3 MET 78 6.824 4.364 -3.332 577 HE1 MET 78 HE1 MET 78 9.592 3.885 -1.632 578 HE2 MET 78 HE2 MET 78 10.635 3.802 -3.051 579 HE3 MET 78 HE3 MET 78 9.021 3.095 -3.103 580 H ILE 79 H ILE 79 3.655 6.979 -5.095 581 HA ILE 79 HA ILE 79 3.992 9.918 -5.424 582 HB ILE 79 HB ILE 79 3.429 8.727 -7.524 583 HG12 ILE 79 HG12 ILE 79 1.020 10.270 -6.541 584 HG13 ILE 79 HG13 ILE 79 2.558 11.062 -6.877 585 HG21 ILE 79 HG21 ILE 79 2.151 6.892 -6.292 586 HG22 ILE 79 HG22 ILE 79 1.385 7.509 -7.756 587 HG23 ILE 79 HG23 ILE 79 0.812 8.035 -6.173 588 HD11 ILE 79 HD11 ILE 79 1.127 11.177 -8.856 589 HD12 ILE 79 HD12 ILE 79 0.927 9.424 -8.840 590 HD13 ILE 79 HD13 ILE 79 2.508 10.130 -9.181 591 H TYR 80 H TYR 80 2.672 11.228 -4.313 592 HA TYR 80 HA TYR 80 0.848 9.999 -2.334 593 HB2 TYR 80 HB2 TYR 80 1.824 12.851 -2.362 594 HB3 TYR 80 HB3 TYR 80 1.180 11.923 -1.007 595 HD1 TYR 80 HD2 TYR 80 2.536 10.219 0.117 596 HD2 TYR 80 HD1 TYR 80 4.102 12.505 -3.165 597 HE1 TYR 80 HE2 TYR 80 4.828 9.457 0.681 598 HE2 TYR 80 HE1 TYR 80 6.395 11.747 -2.599 599 HH TYR 80 HH TYR 80 7.115 9.211 -0.859 600 H SER 81 H SER 81 -1.277 10.380 -2.358 601 HA SER 81 HA SER 81 -2.402 12.604 -3.910 602 HB2 SER 81 HB2 SER 81 -2.234 10.564 -5.417 603 HB3 SER 81 HB3 SER 81 -3.366 9.769 -4.325 604 HG SER 81 HG SER 81 -3.810 11.669 -6.223 605 H LEU 82 H LEU 82 -4.890 12.539 -3.623 606 HA LEU 82 HA LEU 82 -5.418 12.221 -0.746 607 HB2 LEU 82 HB2 LEU 82 -7.087 13.530 -2.909 608 HB3 LEU 82 HB3 LEU 82 -7.391 13.589 -1.178 609 HG LEU 82 HG LEU 82 -6.346 15.657 -1.847 610 HD11 LEU 82 HD11 LEU 82 -4.670 15.777 -0.227 611 HD12 LEU 82 HD12 LEU 82 -4.100 14.141 -0.547 612 HD13 LEU 82 HD13 LEU 82 -5.623 14.394 0.306 613 HD21 LEU 82 HD21 LEU 82 -5.136 14.397 -3.865 614 HD22 LEU 82 HD22 LEU 82 -3.795 14.354 -2.722 615 HD23 LEU 82 HD23 LEU 82 -4.505 15.893 -3.191 616 H ASP 83 H ASP 83 -7.770 11.584 -0.260 617 HA ASP 83 HA ASP 83 -8.175 8.910 -1.114 618 HB2 ASP 83 HB2 ASP 83 -10.168 10.764 0.211 619 HB3 ASP 83 HB3 ASP 83 -10.220 9.002 0.191 620 H ASP 84 H ASP 84 -11.241 9.949 -1.212 621 HA ASP 84 HA ASP 84 -11.415 9.680 -4.101 622 HB2 ASP 84 HB2 ASP 84 -13.616 10.206 -2.094 623 HB3 ASP 84 HB3 ASP 84 -13.806 9.631 -3.749 624 H ILE 85 H ILE 85 -13.926 11.456 -3.821 625 HA ILE 85 HA ILE 85 -12.572 14.037 -4.385 626 HB ILE 85 HB ILE 85 -14.735 14.558 -5.574 627 HG12 ILE 85 HG12 ILE 85 -15.191 11.573 -5.375 628 HG13 ILE 85 HG13 ILE 85 -15.995 12.730 -4.315 629 HG21 ILE 85 HG21 ILE 85 -14.168 13.147 -7.542 630 HG22 ILE 85 HG22 ILE 85 -13.124 12.165 -6.514 631 HG23 ILE 85 HG23 ILE 85 -12.733 13.860 -6.804 632 HD11 ILE 85 HD11 ILE 85 -17.009 13.849 -6.219 633 HD12 ILE 85 HD12 ILE 85 -17.358 12.123 -6.333 634 HD13 ILE 85 HD13 ILE 85 -16.101 12.837 -7.343 635 H HIS 86 H HIS 86 -14.246 12.444 -2.012 636 HA HIS 86 HA HIS 86 -16.176 14.300 -1.155 637 HB2 HIS 86 HB2 HIS 86 -14.520 12.514 0.638 638 HB3 HIS 86 HB3 HIS 86 -16.140 13.138 0.946 639 HD1 HIS 86 HD1 HIS 86 -15.199 10.034 0.638 640 HD2 HIS 86 HD2 HIS 86 -17.328 12.311 -2.131 641 HE1 HIS 86 HE1 HIS 86 -16.447 8.393 -0.829 642 HE2 HIS 86 HE2 HIS 86 -17.761 9.763 -2.515 643 H VAL 87 H VAL 87 -12.719 14.321 -0.929 644 HA VAL 87 HA VAL 87 -12.567 16.214 1.240 645 HB VAL 87 HB VAL 87 -10.176 16.310 0.682 646 HG11 VAL 87 HG11 VAL 87 -11.323 13.503 0.549 647 HG12 VAL 87 HG12 VAL 87 -11.016 14.417 2.026 648 HG13 VAL 87 HG13 VAL 87 -9.669 13.914 1.006 649 HG21 VAL 87 HG21 VAL 87 -9.407 14.787 -1.215 650 HG22 VAL 87 HG22 VAL 87 -10.207 16.278 -1.712 651 HG23 VAL 87 HG23 VAL 87 -11.089 14.751 -1.747 652 H ALA 88 H ALA 88 -12.433 16.347 -2.290 653 HA ALA 88 HA ALA 88 -11.673 19.047 -2.548 654 HB1 ALA 88 HB1 ALA 88 -12.716 18.858 -4.825 655 HB2 ALA 88 HB2 ALA 88 -13.297 17.257 -4.369 656 HB3 ALA 88 HB3 ALA 88 -11.565 17.575 -4.455 657 H THR 89 H THR 89 -14.936 17.623 -2.894 658 HA THR 89 HA THR 89 -16.422 19.922 -3.113 659 HB THR 89 HB THR 89 -18.299 18.669 -2.176 660 HG1 THR 89 HG1 THR 89 -16.480 16.624 -1.510 661 HG21 THR 89 HG21 THR 89 -16.494 16.758 -3.680 662 HG22 THR 89 HG22 THR 89 -17.343 18.097 -4.454 663 HG23 THR 89 HG23 THR 89 -18.257 16.798 -3.688 664 H MET 90 H MET 90 -15.650 18.257 -0.048 665 HA MET 90 HA MET 90 -16.770 20.100 1.705 666 HB2 MET 90 HB2 MET 90 -15.859 17.879 2.359 667 HB3 MET 90 HB3 MET 90 -14.227 18.514 2.142 668 HG2 MET 90 HG2 MET 90 -14.600 20.185 3.874 669 HG3 MET 90 HG3 MET 90 -16.287 19.696 4.027 670 HE1 MET 90 HE1 MET 90 -12.875 19.438 5.402 671 HE2 MET 90 HE2 MET 90 -12.641 18.360 4.027 672 HE3 MET 90 HE3 MET 90 -12.536 17.727 5.669 673 H LEU 91 H LEU 91 -13.375 19.949 0.608 674 HA LEU 91 HA LEU 91 -12.459 22.244 1.890 675 HB2 LEU 91 HB2 LEU 91 -11.085 20.515 0.631 676 HB3 LEU 91 HB3 LEU 91 -11.583 21.322 -0.851 677 HG LEU 91 HG LEU 91 -10.680 23.496 0.329 678 HD11 LEU 91 HD11 LEU 91 -9.276 21.294 1.873 679 HD12 LEU 91 HD12 LEU 91 -10.258 22.597 2.541 680 HD13 LEU 91 HD13 LEU 91 -8.707 22.958 1.791 681 HD21 LEU 91 HD21 LEU 91 -8.834 21.322 -0.696 682 HD22 LEU 91 HD22 LEU 91 -8.402 23.026 -0.539 683 HD23 LEU 91 HD23 LEU 91 -9.662 22.536 -1.671 684 H LYS 92 H LYS 92 -13.956 21.892 -1.307 685 HA LYS 92 HA LYS 92 -13.718 24.603 -2.085 686 HB2 LYS 92 HB2 LYS 92 -14.248 22.644 -3.591 687 HB3 LYS 92 HB3 LYS 92 -15.883 22.669 -2.934 688 HG2 LYS 92 HG2 LYS 92 -16.028 25.096 -3.626 689 HG3 LYS 92 HG3 LYS 92 -14.489 24.884 -4.461 690 HD2 LYS 92 HD2 LYS 92 -15.461 23.106 -5.844 691 HD3 LYS 92 HD3 LYS 92 -16.992 23.250 -4.981 692 HE2 LYS 92 HE2 LYS 92 -15.714 25.567 -6.450 693 HE3 LYS 92 HE3 LYS 92 -16.878 24.481 -7.207 694 HZ1 LYS 92 HZ1 LYS 92 -18.257 25.037 -5.086 695 HZ2 LYS 92 HZ2 LYS 92 -18.247 26.105 -6.406 696 HZ3 LYS 92 HZ3 LYS 92 -17.280 26.425 -5.048 697 H GLN 93 H GLN 93 -16.558 22.817 -0.868 698 HA GLN 93 HA GLN 93 -18.387 24.833 -0.711 699 HB2 GLN 93 HB2 GLN 93 -17.906 22.520 1.171 700 HB3 GLN 93 HB3 GLN 93 -19.304 23.587 1.318 701 HG2 GLN 93 HG2 GLN 93 -18.599 22.193 -1.270 702 HG3 GLN 93 HG3 GLN 93 -19.653 21.462 -0.062 703 HE21 GLN 93 HE21 GLN 93 -21.205 23.601 0.798 704 HE22 GLN 93 HE22 GLN 93 -22.079 24.252 -0.503 705 H ALA 94 H ALA 94 -15.541 24.468 1.272 706 HA ALA 94 HA ALA 94 -16.432 26.160 3.404 707 HB1 ALA 94 HB1 ALA 94 -14.215 25.985 4.240 708 HB2 ALA 94 HB2 ALA 94 -13.564 25.605 2.646 709 HB3 ALA 94 HB3 ALA 94 -14.559 24.424 3.496 710 H ILE 95 H ILE 95 -13.858 26.689 0.982 711 HA ILE 95 HA ILE 95 -13.641 29.454 1.421 712 HB ILE 95 HB ILE 95 -11.897 28.202 0.275 713 HG12 ILE 95 HG12 ILE 95 -13.108 30.122 -1.726 714 HG13 ILE 95 HG13 ILE 95 -12.339 30.669 -0.235 715 HG21 ILE 95 HG21 ILE 95 -13.367 26.593 -0.889 716 HG22 ILE 95 HG22 ILE 95 -12.256 27.367 -2.018 717 HG23 ILE 95 HG23 ILE 95 -13.941 27.884 -1.945 718 HD11 ILE 95 HD11 ILE 95 -10.231 29.713 -0.871 719 HD12 ILE 95 HD12 ILE 95 -10.820 30.601 -2.276 720 HD13 ILE 95 HD13 ILE 95 -10.961 28.844 -2.220 721 H HIS 96 H HIS 96 -16.067 27.656 -0.166 722 HA HIS 96 HA HIS 96 -16.917 29.687 -2.013 723 HB2 HIS 96 HB2 HIS 96 -17.411 27.236 -2.270 724 HB3 HIS 96 HB3 HIS 96 -18.528 27.374 -0.912 725 HD1 HIS 96 HD1 HIS 96 -20.745 28.630 -1.305 726 HD2 HIS 96 HD2 HIS 96 -18.272 28.572 -4.660 727 HE1 HIS 96 HE1 HIS 96 -22.158 29.425 -3.248 728 HE2 HIS 96 HE2 HIS 96 -20.666 29.398 -5.302 729 H HIS 97 H HIS 97 -17.696 28.783 1.293 730 HA HIS 97 HA HIS 97 -19.918 30.649 1.481 731 HB2 HIS 97 HB2 HIS 97 -19.933 28.528 2.749 732 HB3 HIS 97 HB3 HIS 97 -18.498 29.055 3.630 733 HD1 HIS 97 HD1 HIS 97 -21.608 31.069 2.746 734 HD2 HIS 97 HD2 HIS 97 -19.527 29.757 6.112 735 HE1 HIS 97 HE1 HIS 97 -22.748 32.119 4.745 736 HE2 HIS 97 HE2 HIS 97 -21.487 31.340 6.806 737 H ALA 98 H ALA 98 -16.524 30.740 1.804 738 HA ALA 98 HA ALA 98 -16.157 32.619 3.844 739 HB1 ALA 98 HB1 ALA 98 -14.011 33.144 2.655 740 HB2 ALA 98 HB2 ALA 98 -14.549 32.109 1.333 741 HB3 ALA 98 HB3 ALA 98 -14.272 31.422 2.934 742 H ASN 99 H ASN 99 -17.043 33.045 0.464 743 HA ASN 99 HA ASN 99 -17.881 35.774 1.001 744 HB2 ASN 99 HB2 ASN 99 -15.764 35.243 -1.097 745 HB3 ASN 99 HB3 ASN 99 -16.504 36.797 -0.718 746 HD21 ASN 99 HD21 ASN 99 -16.281 37.356 1.793 747 HD22 ASN 99 HD22 ASN 99 -14.749 37.054 2.460 748 H HIS 100 H HIS 100 -19.895 35.596 0.259 749 HA HIS 100 HA HIS 100 -20.572 33.967 -2.016 750 HB2 HIS 100 HB2 HIS 100 -22.179 35.938 -0.371 751 HB3 HIS 100 HB3 HIS 100 -22.862 34.925 -1.641 752 HD1 HIS 100 HD1 HIS 100 -22.306 32.225 -1.266 753 HD2 HIS 100 HD2 HIS 100 -22.175 34.693 2.093 754 HE1 HIS 100 HE1 HIS 100 -22.481 30.703 0.748 755 HE2 HIS 100 HE2 HIS 100 -22.409 32.191 2.805 756 HA PRO 101 HA PRO 101 -20.043 37.232 -5.000 757 HB2 PRO 101 HB2 PRO 101 -21.621 36.394 -7.046 758 HB3 PRO 101 HB3 PRO 101 -20.157 35.510 -6.576 759 HG2 PRO 101 HG2 PRO 101 -23.009 34.955 -5.843 760 HG3 PRO 101 HG3 PRO 101 -21.772 33.831 -6.426 761 HD2 PRO 101 HD2 PRO 101 -22.377 34.093 -3.769 762 HD3 PRO 101 HD3 PRO 101 -20.747 33.674 -4.334 763 H LYS 102 H LYS 102 -20.949 39.014 -3.916 764 HA LYS 102 HA LYS 102 -23.302 40.126 -5.063 765 HB2 LYS 102 HB2 LYS 102 -24.293 38.442 -3.462 766 HB3 LYS 102 HB3 LYS 102 -23.564 39.365 -2.147 767 HG2 LYS 102 HG2 LYS 102 -24.788 41.385 -2.916 768 HG3 LYS 102 HG3 LYS 102 -25.555 40.421 -4.177 769 HD2 LYS 102 HD2 LYS 102 -26.687 39.053 -2.561 770 HD3 LYS 102 HD3 LYS 102 -25.739 39.727 -1.236 771 HE2 LYS 102 HE2 LYS 102 -27.576 41.390 -2.978 772 HE3 LYS 102 HE3 LYS 102 -28.080 40.673 -1.448 773 HZ1 LYS 102 HZ1 LYS 102 -27.339 42.631 -0.654 774 HZ2 LYS 102 HZ2 LYS 102 -26.278 42.899 -1.953 775 HZ3 LYS 102 HZ3 LYS 102 -25.833 41.847 -0.695 776 H GLU 103 H GLU 103 -23.160 42.290 -4.929 777 HA GLU 103 HA GLU 103 -22.154 43.684 -2.653 778 HB2 GLU 103 HB2 GLU 103 -20.029 42.755 -3.636 779 HB3 GLU 103 HB3 GLU 103 -20.350 43.712 -5.083 780 HG2 GLU 103 HG2 GLU 103 -20.383 45.767 -3.707 781 HG3 GLU 103 HG3 GLU 103 -20.038 44.805 -2.270 782 H ASN 9 H ASN 9 -3.898 34.884 -1.700 783 HA ASN 9 HA ASN 9 -1.772 35.396 -1.209 784 HB2 ASN 9 HB2 ASN 9 -1.103 37.673 -0.434 785 HB3 ASN 9 HB3 ASN 9 -1.936 37.699 -1.987 786 HD21 ASN 9 HD21 ASN 9 -4.539 37.825 -1.566 787 HD22 ASN 9 HD22 ASN 9 -4.989 39.039 -0.468 788 H THR 10 H THR 10 -0.714 36.541 1.030 789 HA THR 10 HA THR 10 -1.308 34.765 3.066 790 HB THR 10 HB THR 10 -0.004 36.177 4.517 791 HG1 THR 10 HG1 THR 10 -1.269 38.095 3.438 792 HG21 THR 10 HG21 THR 10 1.028 36.630 1.707 793 HG22 THR 10 HG22 THR 10 1.117 35.071 2.527 794 HG23 THR 10 HG23 THR 10 1.977 36.464 3.184 795 H ASP 11 H ASP 11 -3.184 37.373 1.998 796 HA ASP 11 HA ASP 11 -4.385 38.141 4.472 797 HB2 ASP 11 HB2 ASP 11 -4.373 39.519 2.368 798 HB3 ASP 11 HB3 ASP 11 -5.554 38.397 1.695 799 H THR 12 H THR 12 -5.694 36.257 1.732 800 HA THR 12 HA THR 12 -8.017 35.421 3.105 801 HB THR 12 HB THR 12 -8.194 33.738 1.262 802 HG1 THR 12 HG1 THR 12 -5.870 34.927 0.215 803 HG21 THR 12 HG21 THR 12 -8.316 35.439 -0.556 804 HG22 THR 12 HG22 THR 12 -7.456 36.574 0.483 805 HG23 THR 12 HG23 THR 12 -9.059 36.000 0.942 806 H LEU 13 H LEU 13 -5.086 33.549 2.270 807 HA LEU 13 HA LEU 13 -5.674 31.164 3.455 808 HB2 LEU 13 HB2 LEU 13 -3.079 32.670 3.194 809 HB3 LEU 13 HB3 LEU 13 -3.111 31.107 4.005 810 HG LEU 13 HG LEU 13 -4.044 30.046 2.022 811 HD11 LEU 13 HD11 LEU 13 -5.438 31.770 1.112 812 HD12 LEU 13 HD12 LEU 13 -4.196 31.446 -0.095 813 HD13 LEU 13 HD13 LEU 13 -4.070 32.870 0.936 814 HD21 LEU 13 HD21 LEU 13 -1.595 30.279 2.161 815 HD22 LEU 13 HD22 LEU 13 -1.694 31.843 1.351 816 HD23 LEU 13 HD23 LEU 13 -2.136 30.371 0.485 817 H GLU 14 H GLU 14 -4.866 34.161 5.078 818 HA GLU 14 HA GLU 14 -4.330 33.031 7.639 819 HB2 GLU 14 HB2 GLU 14 -3.738 35.375 6.874 820 HB3 GLU 14 HB3 GLU 14 -5.435 35.792 7.107 821 HG2 GLU 14 HG2 GLU 14 -4.332 36.373 9.147 822 HG3 GLU 14 HG3 GLU 14 -5.195 34.873 9.477 823 H ARG 15 H ARG 15 -7.231 34.654 6.338 824 HA ARG 15 HA ARG 15 -8.851 34.116 8.600 825 HB2 ARG 15 HB2 ARG 15 -9.287 35.894 6.887 826 HB3 ARG 15 HB3 ARG 15 -9.763 34.623 5.759 827 HG2 ARG 15 HG2 ARG 15 -11.560 33.916 7.238 828 HG3 ARG 15 HG3 ARG 15 -11.036 35.056 8.477 829 HD2 ARG 15 HD2 ARG 15 -11.553 36.941 7.030 830 HD3 ARG 15 HD3 ARG 15 -11.937 35.857 5.696 831 HE ARG 15 HE ARG 15 -14.021 35.507 6.649 832 HH11 ARG 15 HH21 ARG 15 -11.822 36.881 8.941 833 HH12 ARG 15 HH22 ARG 15 -13.033 37.150 10.149 834 HH21 ARG 15 HH11 ARG 15 -15.616 35.861 8.227 835 HH22 ARG 15 HH12 ARG 15 -15.181 36.577 9.744 836 H VAL 16 H VAL 16 -8.559 32.505 5.445 837 HA VAL 16 HA VAL 16 -10.577 30.666 5.578 838 HB VAL 16 HB VAL 16 -7.757 30.224 4.571 839 HG11 VAL 16 HG11 VAL 16 -10.326 28.663 4.229 840 HG12 VAL 16 HG12 VAL 16 -8.760 28.069 4.782 841 HG13 VAL 16 HG13 VAL 16 -8.983 28.526 3.093 842 HG21 VAL 16 HG21 VAL 16 -9.192 32.146 3.637 843 HG22 VAL 16 HG22 VAL 16 -10.249 30.891 2.991 844 HG23 VAL 16 HG23 VAL 16 -8.568 30.985 2.467 845 H THR 17 H THR 17 -7.940 30.916 7.718 846 HA THR 17 HA THR 17 -8.072 28.126 8.613 847 HB THR 17 HB THR 17 -6.450 30.442 9.694 848 HG1 THR 17 HG1 THR 17 -6.214 28.919 7.474 849 HG21 THR 17 HG21 THR 17 -6.380 27.443 10.113 850 HG22 THR 17 HG22 THR 17 -6.646 28.689 11.332 851 HG23 THR 17 HG23 THR 17 -5.060 28.515 10.581 852 H GLU 18 H GLU 18 -9.162 31.319 9.535 853 HA GLU 18 HA GLU 18 -9.826 30.610 12.235 854 HB2 GLU 18 HB2 GLU 18 -9.278 32.940 11.352 855 HB3 GLU 18 HB3 GLU 18 -10.909 32.963 10.684 856 HG2 GLU 18 HG2 GLU 18 -11.728 32.368 13.030 857 HG3 GLU 18 HG3 GLU 18 -10.097 32.731 13.590 858 H ILE 19 H ILE 19 -11.509 30.520 9.168 859 HA ILE 19 HA ILE 19 -14.157 30.520 10.145 860 HB ILE 19 HB ILE 19 -14.694 29.331 7.991 861 HG12 ILE 19 HG12 ILE 19 -11.754 29.693 7.395 862 HG13 ILE 19 HG13 ILE 19 -12.407 28.161 7.972 863 HG21 ILE 19 HG21 ILE 19 -13.865 31.250 6.563 864 HG22 ILE 19 HG22 ILE 19 -12.950 31.808 7.963 865 HG23 ILE 19 HG23 ILE 19 -14.711 31.741 8.031 866 HD11 ILE 19 HD11 ILE 19 -13.387 29.631 5.507 867 HD12 ILE 19 HD12 ILE 19 -13.924 28.045 6.063 868 HD13 ILE 19 HD13 ILE 19 -12.273 28.265 5.484 869 H PHE 20 H PHE 20 -11.714 28.032 10.026 870 HA PHE 20 HA PHE 20 -13.555 25.857 10.526 871 HB2 PHE 20 HB2 PHE 20 -10.540 26.068 10.585 872 HB3 PHE 20 HB3 PHE 20 -11.411 24.580 10.955 873 HD1 PHE 20 HD1 PHE 20 -13.012 23.629 9.213 874 HD2 PHE 20 HD2 PHE 20 -10.191 26.747 8.337 875 HE1 PHE 20 HE1 PHE 20 -13.249 23.164 6.788 876 HE2 PHE 20 HE2 PHE 20 -10.433 26.287 5.912 877 HZ PHE 20 HZ PHE 20 -11.964 24.496 5.138 878 H LYS 21 H LYS 21 -11.029 27.504 12.439 879 HA LYS 21 HA LYS 21 -11.257 26.235 14.844 880 HB2 LYS 21 HB2 LYS 21 -9.692 28.095 14.394 881 HB3 LYS 21 HB3 LYS 21 -11.041 29.230 14.457 882 HG2 LYS 21 HG2 LYS 21 -11.411 28.839 16.767 883 HG3 LYS 21 HG3 LYS 21 -10.447 27.364 16.758 884 HD2 LYS 21 HD2 LYS 21 -9.172 29.163 17.810 885 HD3 LYS 21 HD3 LYS 21 -8.417 28.715 16.283 886 HE2 LYS 21 HE2 LYS 21 -8.646 31.215 16.696 887 HE3 LYS 21 HE3 LYS 21 -9.315 30.640 15.171 888 HZ1 LYS 21 HZ1 LYS 21 -10.712 32.189 16.663 889 HZ2 LYS 21 HZ2 LYS 21 -11.017 30.786 17.569 890 HZ3 LYS 21 HZ3 LYS 21 -11.464 30.853 15.932 891 H ALA 22 H ALA 22 -13.620 28.248 13.316 892 HA ALA 22 HA ALA 22 -15.139 28.887 15.649 893 HB1 ALA 22 HB1 ALA 22 -16.862 29.603 14.054 894 HB2 ALA 22 HB2 ALA 22 -15.981 28.823 12.741 895 HB3 ALA 22 HB3 ALA 22 -15.276 30.207 13.576 896 H LEU 23 H LEU 23 -15.133 26.211 13.377 897 HA LEU 23 HA LEU 23 -17.625 25.100 14.405 898 HB2 LEU 23 HB2 LEU 23 -15.620 24.234 12.325 899 HB3 LEU 23 HB3 LEU 23 -16.909 23.159 12.860 900 HG LEU 23 HG LEU 23 -18.602 24.749 12.171 901 HD11 LEU 23 HD11 LEU 23 -17.767 26.839 10.902 902 HD12 LEU 23 HD12 LEU 23 -16.222 26.548 11.699 903 HD13 LEU 23 HD13 LEU 23 -17.665 26.867 12.661 904 HD21 LEU 23 HD21 LEU 23 -17.568 23.227 10.461 905 HD22 LEU 23 HD22 LEU 23 -16.496 24.549 9.999 906 HD23 LEU 23 HD23 LEU 23 -18.238 24.705 9.771 907 H GLY 24 H GLY 24 -14.560 25.278 15.562 908 HA2 GLY 24 HA2 GLY 24 -13.985 22.625 16.369 909 HA3 GLY 24 HA3 GLY 24 -13.334 24.085 17.107 910 H ASP 25 H ASP 25 -13.727 22.235 18.879 911 HA ASP 25 HA ASP 25 -14.768 21.723 20.855 912 HB2 ASP 25 HB2 ASP 25 -16.506 24.147 20.403 913 HB3 ASP 25 HB3 ASP 25 -16.015 23.428 21.936 914 H TYR 26 H TYR 26 -16.323 20.314 21.397 915 HA TYR 26 HA TYR 26 -18.178 19.437 19.429 916 HB2 TYR 26 HB2 TYR 26 -18.976 17.927 21.273 917 HB3 TYR 26 HB3 TYR 26 -17.241 17.842 20.970 918 HD1 TYR 26 HD2 TYR 26 -15.632 18.837 22.536 919 HD2 TYR 26 HD1 TYR 26 -19.858 18.971 23.292 920 HE1 TYR 26 HE2 TYR 26 -15.190 19.500 24.884 921 HE2 TYR 26 HE1 TYR 26 -19.418 19.635 25.640 922 HH TYR 26 HH TYR 26 -17.072 19.197 27.267 923 H ASN 27 H ASN 27 -18.339 21.938 21.711 924 HA ASN 27 HA ASN 27 -21.100 21.797 22.394 925 HB2 ASN 27 HB2 ASN 27 -19.195 24.149 22.373 926 HB3 ASN 27 HB3 ASN 27 -20.796 24.153 23.111 927 HD21 ASN 27 HD21 ASN 27 -20.666 23.804 25.326 928 HD22 ASN 27 HD22 ASN 27 -19.530 22.803 26.092 929 H ARG 28 H ARG 28 -19.345 23.877 20.085 930 HA ARG 28 HA ARG 28 -21.708 25.035 19.012 931 HB2 ARG 28 HB2 ARG 28 -18.840 24.928 18.079 932 HB3 ARG 28 HB3 ARG 28 -20.092 25.746 17.145 933 HG2 ARG 28 HG2 ARG 28 -18.966 27.355 18.602 934 HG3 ARG 28 HG3 ARG 28 -20.634 27.140 19.127 935 HD2 ARG 28 HD2 ARG 28 -20.011 25.883 21.010 936 HD3 ARG 28 HD3 ARG 28 -18.433 25.475 20.340 937 HE ARG 28 HE ARG 28 -18.848 28.307 20.831 938 HH11 ARG 28 HH21 ARG 28 -17.739 25.252 22.020 939 HH12 ARG 28 HH22 ARG 28 -16.708 25.942 23.228 940 HH21 ARG 28 HH11 ARG 28 -17.494 29.217 22.406 941 HH22 ARG 28 HH12 ARG 28 -16.568 28.187 23.447 942 H ILE 29 H ILE 29 -19.881 22.154 18.219 943 HA ILE 29 HA ILE 29 -20.900 21.842 15.585 944 HB ILE 29 HB ILE 29 -19.725 19.811 17.494 945 HG12 ILE 29 HG12 ILE 29 -18.530 21.236 15.097 946 HG13 ILE 29 HG13 ILE 29 -18.288 21.751 16.766 947 HG21 ILE 29 HG21 ILE 29 -19.338 18.540 15.309 948 HG22 ILE 29 HG22 ILE 29 -20.480 19.659 14.564 949 HG23 ILE 29 HG23 ILE 29 -21.008 18.596 15.869 950 HD11 ILE 29 HD11 ILE 29 -17.376 19.187 15.454 951 HD12 ILE 29 HD12 ILE 29 -17.441 19.363 17.207 952 HD13 ILE 29 HD13 ILE 29 -16.392 20.412 16.254 953 H ARG 30 H ARG 30 -22.085 20.787 18.762 954 HA ARG 30 HA ARG 30 -24.066 19.031 17.661 955 HB2 ARG 30 HB2 ARG 30 -23.083 18.842 19.970 956 HB3 ARG 30 HB3 ARG 30 -24.004 20.278 20.416 957 HG2 ARG 30 HG2 ARG 30 -26.098 19.159 19.893 958 HG3 ARG 30 HG3 ARG 30 -25.234 17.753 19.271 959 HD2 ARG 30 HD2 ARG 30 -24.363 17.231 21.459 960 HD3 ARG 30 HD3 ARG 30 -24.964 18.750 22.118 961 HE ARG 30 HE ARG 30 -27.054 17.769 22.334 962 HH11 ARG 30 HH21 ARG 30 -25.040 15.943 20.191 963 HH12 ARG 30 HH22 ARG 30 -26.150 14.620 20.056 964 HH21 ARG 30 HH11 ARG 30 -28.511 16.037 22.164 965 HH22 ARG 30 HH12 ARG 30 -28.116 14.673 21.171 966 H ILE 31 H ILE 31 -24.001 22.396 18.722 967 HA ILE 31 HA ILE 31 -26.817 22.812 18.650 968 HB ILE 31 HB ILE 31 -24.552 24.798 18.326 969 HG12 ILE 31 HG12 ILE 31 -26.203 24.181 20.787 970 HG13 ILE 31 HG13 ILE 31 -24.663 23.386 20.459 971 HG21 ILE 31 HG21 ILE 31 -26.564 25.817 17.526 972 HG22 ILE 31 HG22 ILE 31 -26.366 26.379 19.186 973 HG23 ILE 31 HG23 ILE 31 -27.522 25.098 18.821 974 HD11 ILE 31 HD11 ILE 31 -24.520 25.453 21.934 975 HD12 ILE 31 HD12 ILE 31 -24.981 26.397 20.519 976 HD13 ILE 31 HD13 ILE 31 -23.478 25.473 20.512 977 H MET 32 H MET 32 -24.334 22.699 16.238 978 HA MET 32 HA MET 32 -25.799 24.100 14.195 979 HB2 MET 32 HB2 MET 32 -23.274 23.822 14.309 980 HB3 MET 32 HB3 MET 32 -23.522 22.152 13.801 981 HG2 MET 32 HG2 MET 32 -23.133 23.331 11.784 982 HG3 MET 32 HG3 MET 32 -24.884 23.138 11.844 983 HE1 MET 32 HE1 MET 32 -23.598 26.682 10.330 984 HE2 MET 32 HE2 MET 32 -23.662 24.955 9.977 985 HE3 MET 32 HE3 MET 32 -22.293 25.620 10.868 986 H GLU 33 H GLU 33 -25.447 20.767 15.241 987 HA GLU 33 HA GLU 33 -26.463 19.459 12.986 988 HB2 GLU 33 HB2 GLU 33 -25.358 18.430 15.035 989 HB3 GLU 33 HB3 GLU 33 -26.921 18.575 15.837 990 HG2 GLU 33 HG2 GLU 33 -27.952 17.256 13.989 991 HG3 GLU 33 HG3 GLU 33 -26.353 17.051 13.276 992 H LEU 34 H LEU 34 -28.231 20.296 15.984 993 HA LEU 34 HA LEU 34 -30.733 19.469 15.083 994 HB2 LEU 34 HB2 LEU 34 -31.668 20.685 16.923 995 HB3 LEU 34 HB3 LEU 34 -30.148 19.968 17.426 996 HG LEU 34 HG LEU 34 -29.244 22.416 16.570 997 HD11 LEU 34 HD11 LEU 34 -31.434 23.355 16.074 998 HD12 LEU 34 HD12 LEU 34 -30.804 24.123 17.527 999 HD13 LEU 34 HD13 LEU 34 -32.037 22.872 17.660 1000 HD21 LEU 34 HD21 LEU 34 -30.362 21.779 19.311 1001 HD22 LEU 34 HD22 LEU 34 -29.265 23.112 18.947 1002 HD23 LEU 34 HD23 LEU 34 -28.725 21.446 18.745 1003 H LEU 35 H LEU 35 -29.180 22.649 14.784 1004 HA LEU 35 HA LEU 35 -31.387 24.053 13.760 1005 HB2 LEU 35 HB2 LEU 35 -28.426 24.387 13.236 1006 HB3 LEU 35 HB3 LEU 35 -29.645 25.535 12.695 1007 HG LEU 35 HG LEU 35 -29.301 24.700 15.590 1008 HD11 LEU 35 HD11 LEU 35 -28.059 26.966 14.021 1009 HD12 LEU 35 HD12 LEU 35 -27.247 25.755 15.013 1010 HD13 LEU 35 HD13 LEU 35 -28.217 27.015 15.777 1011 HD21 LEU 35 HD21 LEU 35 -31.428 25.656 15.435 1012 HD22 LEU 35 HD22 LEU 35 -30.953 26.775 14.159 1013 HD23 LEU 35 HD23 LEU 35 -30.445 27.059 15.820 1014 H SER 36 H SER 36 -28.972 22.033 12.151 1015 HA SER 36 HA SER 36 -29.696 22.577 9.491 1016 HB2 SER 36 HB2 SER 36 -28.641 19.997 10.678 1017 HB3 SER 36 HB3 SER 36 -28.651 20.407 8.965 1018 HG SER 36 HG SER 36 -27.298 22.153 9.424 1019 H VAL 37 H VAL 37 -31.148 20.539 11.928 1020 HA VAL 37 HA VAL 37 -32.895 19.154 10.083 1021 HB VAL 37 HB VAL 37 -32.918 19.331 13.107 1022 HG11 VAL 37 HG11 VAL 37 -34.286 17.188 12.810 1023 HG12 VAL 37 HG12 VAL 37 -34.475 17.662 11.122 1024 HG13 VAL 37 HG13 VAL 37 -35.109 18.694 12.404 1025 HG21 VAL 37 HG21 VAL 37 -31.878 17.108 12.988 1026 HG22 VAL 37 HG22 VAL 37 -30.883 18.291 12.138 1027 HG23 VAL 37 HG23 VAL 37 -31.902 17.176 11.227 1028 H SER 38 H SER 38 -33.220 21.742 12.495 1029 HA SER 38 HA SER 38 -35.321 23.011 11.026 1030 HB2 SER 38 HB2 SER 38 -36.147 21.850 13.688 1031 HB3 SER 38 HB3 SER 38 -37.164 22.653 12.494 1032 HG SER 38 HG SER 38 -36.619 20.086 12.691 1033 H GLU 39 H GLU 39 -35.287 25.125 11.486 1034 HA GLU 39 HA GLU 39 -33.424 26.350 13.105 1035 HB2 GLU 39 HB2 GLU 39 -35.013 28.333 13.082 1036 HB3 GLU 39 HB3 GLU 39 -34.600 27.673 11.499 1037 HG2 GLU 39 HG2 GLU 39 -36.692 26.367 11.493 1038 HG3 GLU 39 HG3 GLU 39 -37.106 27.016 13.080 1039 H ALA 40 H ALA 40 -33.864 27.720 15.076 1040 HA ALA 40 HA ALA 40 -35.944 26.788 16.878 1041 HB1 ALA 40 HB1 ALA 40 -34.473 25.899 18.566 1042 HB2 ALA 40 HB2 ALA 40 -33.046 26.331 17.621 1043 HB3 ALA 40 HB3 ALA 40 -34.127 25.058 17.054 1044 H SER 41 H SER 41 -36.244 28.141 18.647 1045 HA SER 41 HA SER 41 -35.181 30.815 18.339 1046 HB2 SER 41 HB2 SER 41 -37.045 29.642 20.420 1047 HB3 SER 41 HB3 SER 41 -36.677 31.355 20.232 1048 HG SER 41 HG SER 41 -37.392 30.969 17.959 1049 H VAL 42 H VAL 42 -34.415 31.989 20.349 1050 HA VAL 42 HA VAL 42 -32.008 30.901 21.225 1051 HB VAL 42 HB VAL 42 -32.416 33.288 21.293 1052 HG11 VAL 42 HG11 VAL 42 -34.022 34.334 22.658 1053 HG12 VAL 42 HG12 VAL 42 -34.245 32.906 23.664 1054 HG13 VAL 42 HG13 VAL 42 -34.883 32.936 22.022 1055 HG21 VAL 42 HG21 VAL 42 -32.106 32.353 24.150 1056 HG22 VAL 42 HG22 VAL 42 -31.374 33.762 23.384 1057 HG23 VAL 42 HG23 VAL 42 -30.837 32.141 22.943 1058 H GLY 43 H GLY 43 -35.044 31.221 23.087 1059 HA2 GLY 43 HA2 GLY 43 -34.092 29.886 25.375 1060 HA3 GLY 43 HA3 GLY 43 -35.785 30.141 24.970 1061 H HIS 44 H HIS 44 -35.076 28.642 22.330 1062 HA HIS 44 HA HIS 44 -35.963 26.072 23.286 1063 HB2 HIS 44 HB2 HIS 44 -35.164 27.017 20.524 1064 HB3 HIS 44 HB3 HIS 44 -35.818 25.420 20.880 1065 HD1 HIS 44 HD1 HIS 44 -37.819 26.321 19.243 1066 HD2 HIS 44 HD2 HIS 44 -37.554 28.094 23.007 1067 HE1 HIS 44 HE1 HIS 44 -40.048 27.443 19.663 1068 HE2 HIS 44 HE2 HIS 44 -39.906 28.527 21.955 1069 H ILE 45 H ILE 45 -32.911 27.522 22.501 1070 HA ILE 45 HA ILE 45 -31.462 25.102 22.035 1071 HB ILE 45 HB ILE 45 -30.307 27.682 23.093 1072 HG12 ILE 45 HG12 ILE 45 -31.683 28.334 21.230 1073 HG13 ILE 45 HG13 ILE 45 -30.021 28.269 20.652 1074 HG21 ILE 45 HG21 ILE 45 -28.366 26.937 21.719 1075 HG22 ILE 45 HG22 ILE 45 -29.244 25.459 21.327 1076 HG23 ILE 45 HG23 ILE 45 -28.771 25.788 22.994 1077 HD11 ILE 45 HD11 ILE 45 -31.267 27.147 18.978 1078 HD12 ILE 45 HD12 ILE 45 -32.248 26.290 20.166 1079 HD13 ILE 45 HD13 ILE 45 -30.556 25.847 19.934 1080 H SER 46 H SER 46 -32.457 26.858 24.879 1081 HA SER 46 HA SER 46 -30.638 25.911 26.763 1082 HB2 SER 46 HB2 SER 46 -32.459 27.656 27.086 1083 HB3 SER 46 HB3 SER 46 -33.585 26.315 27.288 1084 HG SER 46 HG SER 46 -32.108 25.552 28.948 1085 H HIS 47 H HIS 47 -33.707 24.462 25.682 1086 HA HIS 47 HA HIS 47 -33.478 22.196 27.416 1087 HB2 HIS 47 HB2 HIS 47 -35.172 22.561 24.931 1088 HB3 HIS 47 HB3 HIS 47 -35.391 21.319 26.165 1089 HD1 HIS 47 HD1 HIS 47 -34.702 25.036 26.640 1090 HD2 HIS 47 HD2 HIS 47 -37.646 22.217 27.516 1091 HE1 HIS 47 HE1 HIS 47 -36.426 26.222 28.064 1092 HE2 HIS 47 HE2 HIS 47 -38.226 24.518 28.612 1093 H GLN 48 H GLN 48 -32.271 22.979 24.267 1094 HA GLN 48 HA GLN 48 -31.944 20.332 23.288 1095 HB2 GLN 48 HB2 GLN 48 -30.629 22.956 22.576 1096 HB3 GLN 48 HB3 GLN 48 -30.257 21.448 21.740 1097 HG2 GLN 48 HG2 GLN 48 -33.087 22.462 22.065 1098 HG3 GLN 48 HG3 GLN 48 -32.081 22.901 20.686 1099 HE21 GLN 48 HE21 GLN 48 -34.525 21.294 20.512 1100 HE22 GLN 48 HE22 GLN 48 -34.069 19.765 19.935 1101 H LEU 49 H LEU 49 -30.400 21.916 25.818 1102 HA LEU 49 HA LEU 49 -28.508 19.792 26.142 1103 HB2 LEU 49 HB2 LEU 49 -26.529 21.543 26.138 1104 HB3 LEU 49 HB3 LEU 49 -27.059 20.807 24.630 1105 HG LEU 49 HG LEU 49 -28.429 22.741 24.100 1106 HD11 LEU 49 HD11 LEU 49 -28.194 24.773 25.663 1107 HD12 LEU 49 HD12 LEU 49 -27.619 23.626 26.871 1108 HD13 LEU 49 HD13 LEU 49 -29.245 23.467 26.209 1109 HD21 LEU 49 HD21 LEU 49 -25.635 23.464 25.028 1110 HD22 LEU 49 HD22 LEU 49 -26.622 24.472 23.969 1111 HD23 LEU 49 HD23 LEU 49 -26.096 22.877 23.430 1112 H ASN 50 H ASN 50 -30.628 21.579 27.472 1113 HA ASN 50 HA ASN 50 -30.994 22.586 29.527 1114 HB2 ASN 50 HB2 ASN 50 -30.121 21.130 31.385 1115 HB3 ASN 50 HB3 ASN 50 -31.032 20.278 30.141 1116 HD21 ASN 50 HD21 ASN 50 -27.750 20.849 31.393 1117 HD22 ASN 50 HD22 ASN 50 -27.037 19.539 30.585 1118 H LEU 51 H LEU 51 -29.841 24.565 29.122 1119 HA LEU 51 HA LEU 51 -27.713 24.966 31.072 1120 HB2 LEU 51 HB2 LEU 51 -27.369 25.585 28.131 1121 HB3 LEU 51 HB3 LEU 51 -26.404 26.351 29.386 1122 HG LEU 51 HG LEU 51 -26.571 23.357 28.949 1123 HD11 LEU 51 HD11 LEU 51 -25.504 24.629 27.075 1124 HD12 LEU 51 HD12 LEU 51 -24.389 23.546 27.910 1125 HD13 LEU 51 HD13 LEU 51 -24.344 25.279 28.233 1126 HD21 LEU 51 HD21 LEU 51 -24.331 23.646 30.357 1127 HD22 LEU 51 HD22 LEU 51 -25.886 23.541 31.159 1128 HD23 LEU 51 HD23 LEU 51 -25.129 25.113 30.915 1129 H SER 52 H SER 52 -27.112 27.485 30.852 1130 HA SER 52 HA SER 52 -29.590 28.854 31.407 1131 HB2 SER 52 HB2 SER 52 -27.434 29.201 32.675 1132 HB3 SER 52 HB3 SER 52 -26.811 30.034 31.251 1133 HG SER 52 HG SER 52 -29.206 31.013 31.748 1134 H GLN 53 H GLN 53 -30.797 29.853 29.949 1135 HA GLN 53 HA GLN 53 -30.323 30.039 27.245 1136 HB2 GLN 53 HB2 GLN 53 -32.018 31.914 27.268 1137 HB3 GLN 53 HB3 GLN 53 -32.532 30.440 28.088 1138 HG2 GLN 53 HG2 GLN 53 -31.860 31.413 30.257 1139 HG3 GLN 53 HG3 GLN 53 -31.356 32.889 29.437 1140 HE21 GLN 53 HE21 GLN 53 -34.221 30.890 30.195 1141 HE22 GLN 53 HE22 GLN 53 -35.347 32.140 29.965 1142 H SER 54 H SER 54 -28.823 31.828 29.721 1143 HA SER 54 HA SER 54 -28.174 34.152 28.113 1144 HB2 SER 54 HB2 SER 54 -26.848 34.841 30.041 1145 HB3 SER 54 HB3 SER 54 -28.435 34.290 30.578 1146 HG SER 54 HG SER 54 -26.698 33.412 31.814 1147 H ASN 55 H ASN 55 -26.722 31.088 28.956 1148 HA ASN 55 HA ASN 55 -24.059 31.703 28.181 1149 HB2 ASN 55 HB2 ASN 55 -24.622 29.780 29.612 1150 HB3 ASN 55 HB3 ASN 55 -25.467 29.024 28.263 1151 HD21 ASN 55 HD21 ASN 55 -22.564 28.920 29.864 1152 HD22 ASN 55 HD22 ASN 55 -21.561 28.400 28.597 1153 H VAL 56 H VAL 56 -26.799 30.250 26.451 1154 HA VAL 56 HA VAL 56 -25.303 29.771 24.054 1155 HB VAL 56 HB VAL 56 -27.448 29.204 23.063 1156 HG11 VAL 56 HG11 VAL 56 -28.075 27.421 24.546 1157 HG12 VAL 56 HG12 VAL 56 -27.474 28.301 25.952 1158 HG13 VAL 56 HG13 VAL 56 -26.341 27.668 24.758 1159 HG21 VAL 56 HG21 VAL 56 -28.552 30.563 25.531 1160 HG22 VAL 56 HG22 VAL 56 -29.518 29.493 24.517 1161 HG23 VAL 56 HG23 VAL 56 -28.855 30.982 23.844 1162 H SER 57 H SER 57 -27.406 32.360 25.213 1163 HA SER 57 HA SER 57 -27.734 33.779 22.821 1164 HB2 SER 57 HB2 SER 57 -29.014 34.403 24.762 1165 HB3 SER 57 HB3 SER 57 -27.551 34.745 25.682 1166 HG SER 57 HG SER 57 -27.797 36.687 24.941 1167 H HIS 58 H HIS 58 -25.085 33.735 25.144 1168 HA HIS 58 HA HIS 58 -23.629 35.883 23.897 1169 HB2 HIS 58 HB2 HIS 58 -22.648 33.735 25.795 1170 HB3 HIS 58 HB3 HIS 58 -21.809 35.233 25.394 1171 HD1 HIS 58 HD1 HIS 58 -22.827 34.478 28.306 1172 HD2 HIS 58 HD2 HIS 58 -24.800 36.998 25.635 1173 HE1 HIS 58 HE1 HIS 58 -24.326 35.966 29.701 1174 HE2 HIS 58 HE2 HIS 58 -25.537 37.508 28.089 1175 H GLN 59 H GLN 59 -23.147 32.349 24.062 1176 HA GLN 59 HA GLN 59 -20.977 32.132 22.350 1177 HB2 GLN 59 HB2 GLN 59 -22.079 30.291 23.709 1178 HB3 GLN 59 HB3 GLN 59 -23.270 30.165 22.415 1179 HG2 GLN 59 HG2 GLN 59 -21.269 29.913 20.821 1180 HG3 GLN 59 HG3 GLN 59 -20.294 29.658 22.268 1181 HE21 GLN 59 HE21 GLN 59 -21.323 27.900 23.822 1182 HE22 GLN 59 HE22 GLN 59 -21.953 26.523 23.053 1183 H LEU 60 H LEU 60 -24.430 32.320 21.556 1184 HA LEU 60 HA LEU 60 -24.234 31.779 18.816 1185 HB2 LEU 60 HB2 LEU 60 -26.343 31.996 20.256 1186 HB3 LEU 60 HB3 LEU 60 -26.178 33.733 20.042 1187 HG LEU 60 HG LEU 60 -26.042 33.150 17.480 1188 HD11 LEU 60 HD11 LEU 60 -27.369 30.676 18.632 1189 HD12 LEU 60 HD12 LEU 60 -25.925 30.733 17.620 1190 HD13 LEU 60 HD13 LEU 60 -27.491 31.164 16.944 1191 HD21 LEU 60 HD21 LEU 60 -27.877 34.432 18.347 1192 HD22 LEU 60 HD22 LEU 60 -28.574 33.014 19.130 1193 HD23 LEU 60 HD23 LEU 60 -28.570 33.137 17.370 1194 H LYS 61 H LYS 61 -23.675 34.731 20.633 1195 HA LYS 61 HA LYS 61 -23.658 36.556 18.486 1196 HB2 LYS 61 HB2 LYS 61 -23.667 37.168 20.917 1197 HB3 LYS 61 HB3 LYS 61 -21.971 36.688 20.996 1198 HG2 LYS 61 HG2 LYS 61 -21.334 38.379 19.409 1199 HG3 LYS 61 HG3 LYS 61 -23.018 38.747 19.038 1200 HD2 LYS 61 HD2 LYS 61 -22.161 40.453 20.544 1201 HD3 LYS 61 HD3 LYS 61 -23.338 39.467 21.410 1202 HE2 LYS 61 HE2 LYS 61 -21.672 38.338 22.638 1203 HE3 LYS 61 HE3 LYS 61 -20.394 38.806 21.514 1204 HZ1 LYS 61 HZ1 LYS 61 -20.627 41.086 22.220 1205 HZ2 LYS 61 HZ2 LYS 61 -20.330 40.095 23.567 1206 HZ3 LYS 61 HZ3 LYS 61 -21.900 40.672 23.265 1207 H LEU 62 H LEU 62 -21.200 34.382 19.753 1208 HA LEU 62 HA LEU 62 -19.066 35.476 18.157 1209 HB2 LEU 62 HB2 LEU 62 -19.391 33.000 19.848 1210 HB3 LEU 62 HB3 LEU 62 -17.957 33.235 18.852 1211 HG LEU 62 HG LEU 62 -17.558 35.412 19.977 1212 HD11 LEU 62 HD11 LEU 62 -20.044 34.585 21.481 1213 HD12 LEU 62 HD12 LEU 62 -19.708 36.119 20.677 1214 HD13 LEU 62 HD13 LEU 62 -18.879 35.711 22.176 1215 HD21 LEU 62 HD21 LEU 62 -17.904 33.183 21.998 1216 HD22 LEU 62 HD22 LEU 62 -16.701 34.473 22.018 1217 HD23 LEU 62 HD23 LEU 62 -16.611 33.202 20.799 1218 H LEU 63 H LEU 63 -21.317 32.768 17.903 1219 HA LEU 63 HA LEU 63 -20.142 31.577 15.613 1220 HB2 LEU 63 HB2 LEU 63 -21.805 30.509 17.201 1221 HB3 LEU 63 HB3 LEU 63 -23.050 31.482 16.429 1222 HG LEU 63 HG LEU 63 -22.136 30.442 14.200 1223 HD11 LEU 63 HD11 LEU 63 -21.321 28.089 14.581 1224 HD12 LEU 63 HD12 LEU 63 -21.094 28.494 16.278 1225 HD13 LEU 63 HD13 LEU 63 -20.158 29.328 15.038 1226 HD21 LEU 63 HD21 LEU 63 -23.639 28.494 14.473 1227 HD22 LEU 63 HD22 LEU 63 -24.366 29.973 15.103 1228 HD23 LEU 63 HD23 LEU 63 -23.681 28.785 16.211 1229 H LYS 64 H LYS 64 -22.628 34.047 16.057 1230 HA LYS 64 HA LYS 64 -23.437 34.202 13.344 1231 HB2 LYS 64 HB2 LYS 64 -24.647 35.122 15.393 1232 HB3 LYS 64 HB3 LYS 64 -23.515 36.474 15.331 1233 HG2 LYS 64 HG2 LYS 64 -24.218 36.723 12.866 1234 HG3 LYS 64 HG3 LYS 64 -25.557 35.647 13.261 1235 HD2 LYS 64 HD2 LYS 64 -24.944 38.337 14.513 1236 HD3 LYS 64 HD3 LYS 64 -26.335 37.922 13.516 1237 HE2 LYS 64 HE2 LYS 64 -27.201 37.811 15.697 1238 HE3 LYS 64 HE3 LYS 64 -26.821 36.126 15.349 1239 HZ1 LYS 64 HZ1 LYS 64 -25.975 37.417 17.517 1240 HZ2 LYS 64 HZ2 LYS 64 -24.661 37.701 16.478 1241 HZ3 LYS 64 HZ3 LYS 64 -25.143 36.110 16.824 1242 H SER 65 H SER 65 -20.880 35.766 15.190 1243 HA SER 65 HA SER 65 -20.160 37.872 13.589 1244 HB2 SER 65 HB2 SER 65 -19.049 37.146 15.738 1245 HB3 SER 65 HB3 SER 65 -18.161 35.951 14.794 1246 HG SER 65 HG SER 65 -17.609 38.514 15.122 1247 H VAL 66 H VAL 66 -18.741 34.604 13.295 1248 HA VAL 66 HA VAL 66 -17.423 35.092 10.861 1249 HB VAL 66 HB VAL 66 -18.478 32.430 11.846 1250 HG11 VAL 66 HG11 VAL 66 -16.309 31.674 10.705 1251 HG12 VAL 66 HG12 VAL 66 -16.263 33.272 9.964 1252 HG13 VAL 66 HG13 VAL 66 -17.613 32.186 9.636 1253 HG21 VAL 66 HG21 VAL 66 -16.240 32.254 12.958 1254 HG22 VAL 66 HG22 VAL 66 -17.262 33.512 13.653 1255 HG23 VAL 66 HG23 VAL 66 -15.950 33.947 12.556 1256 H HIS 67 H HIS 67 -20.667 35.075 11.458 1257 HA HIS 67 HA HIS 67 -22.496 35.198 10.092 1258 HB2 HIS 67 HB2 HIS 67 -20.738 34.821 7.675 1259 HB3 HIS 67 HB3 HIS 67 -22.224 35.755 7.833 1260 HD1 HIS 67 HD1 HIS 67 -18.693 36.223 7.671 1261 HD2 HIS 67 HD2 HIS 67 -21.755 38.014 9.862 1262 HE1 HIS 67 HE1 HIS 67 -17.792 38.448 8.471 1263 HE2 HIS 67 HE2 HIS 67 -19.646 39.555 9.807 1264 H LEU 68 H LEU 68 -21.120 32.578 10.925 1265 HA LEU 68 HA LEU 68 -21.686 30.635 8.939 1266 HB2 LEU 68 HB2 LEU 68 -21.493 30.490 11.948 1267 HB3 LEU 68 HB3 LEU 68 -21.766 29.067 10.952 1268 HG LEU 68 HG LEU 68 -19.448 30.909 10.349 1269 HD11 LEU 68 HD11 LEU 68 -19.472 28.662 12.383 1270 HD12 LEU 68 HD12 LEU 68 -19.211 30.373 12.721 1271 HD13 LEU 68 HD13 LEU 68 -18.023 29.468 11.784 1272 HD21 LEU 68 HD21 LEU 68 -18.449 28.719 9.598 1273 HD22 LEU 68 HD22 LEU 68 -19.871 29.207 8.682 1274 HD23 LEU 68 HD23 LEU 68 -20.003 27.956 9.919 1275 H VAL 69 H VAL 69 -23.687 32.622 10.747 1276 HA VAL 69 HA VAL 69 -26.073 31.180 9.862 1277 HB VAL 69 HB VAL 69 -27.117 31.401 12.118 1278 HG11 VAL 69 HG11 VAL 69 -24.570 29.763 12.193 1279 HG12 VAL 69 HG12 VAL 69 -26.000 29.287 11.278 1280 HG13 VAL 69 HG13 VAL 69 -26.083 29.428 13.035 1281 HG21 VAL 69 HG21 VAL 69 -25.631 33.167 12.989 1282 HG22 VAL 69 HG22 VAL 69 -24.271 32.044 12.953 1283 HG23 VAL 69 HG23 VAL 69 -25.619 31.761 14.053 1284 H LYS 70 H LYS 70 -28.061 32.579 10.507 1285 HA LYS 70 HA LYS 70 -27.407 35.465 10.219 1286 HB2 LYS 70 HB2 LYS 70 -29.425 33.787 8.723 1287 HB3 LYS 70 HB3 LYS 70 -29.478 35.545 8.752 1288 HG2 LYS 70 HG2 LYS 70 -26.934 34.119 7.962 1289 HG3 LYS 70 HG3 LYS 70 -28.230 34.321 6.788 1290 HD2 LYS 70 HD2 LYS 70 -28.184 36.802 7.287 1291 HD3 LYS 70 HD3 LYS 70 -26.732 36.514 8.247 1292 HE2 LYS 70 HE2 LYS 70 -26.116 37.183 5.972 1293 HE3 LYS 70 HE3 LYS 70 -25.646 35.507 6.253 1294 HZ1 LYS 70 HZ1 LYS 70 -27.118 36.362 4.169 1295 HZ2 LYS 70 HZ2 LYS 70 -28.325 35.832 5.240 1296 HZ3 LYS 70 HZ3 LYS 70 -27.099 34.766 4.747 1297 H ALA 71 H ALA 71 -29.274 36.854 10.709 1298 HA ALA 71 HA ALA 71 -31.207 35.746 12.644 1299 HB1 ALA 71 HB1 ALA 71 -29.301 36.654 13.949 1300 HB2 ALA 71 HB2 ALA 71 -30.778 37.586 14.195 1301 HB3 ALA 71 HB3 ALA 71 -29.509 38.207 13.139 1302 H LYS 72 H LYS 72 -33.194 36.526 12.306 1303 HA LYS 72 HA LYS 72 -33.556 39.048 10.794 1304 HB2 LYS 72 HB2 LYS 72 -34.812 36.364 10.182 1305 HB3 LYS 72 HB3 LYS 72 -35.391 37.895 9.527 1306 HG2 LYS 72 HG2 LYS 72 -33.302 38.291 8.395 1307 HG3 LYS 72 HG3 LYS 72 -32.533 36.942 9.226 1308 HD2 LYS 72 HD2 LYS 72 -33.077 36.171 7.020 1309 HD3 LYS 72 HD3 LYS 72 -34.223 35.414 8.123 1310 HE2 LYS 72 HE2 LYS 72 -35.973 36.904 7.489 1311 HE3 LYS 72 HE3 LYS 72 -34.852 37.996 6.675 1312 HZ1 LYS 72 HZ1 LYS 72 -34.440 36.374 5.007 1313 HZ2 LYS 72 HZ2 LYS 72 -36.125 36.526 5.163 1314 HZ3 LYS 72 HZ3 LYS 72 -35.326 35.190 5.841 1315 H ARG 73 H ARG 73 -35.577 40.051 11.113 1316 HA ARG 73 HA ARG 73 -36.782 39.478 13.727 1317 HB2 ARG 73 HB2 ARG 73 -36.964 41.791 11.793 1318 HB3 ARG 73 HB3 ARG 73 -38.006 41.657 13.208 1319 HG2 ARG 73 HG2 ARG 73 -36.013 43.030 13.697 1320 HG3 ARG 73 HG3 ARG 73 -36.031 41.563 14.671 1321 HD2 ARG 73 HD2 ARG 73 -34.312 40.562 13.427 1322 HD3 ARG 73 HD3 ARG 73 -34.580 41.602 12.029 1323 HE ARG 73 HE ARG 73 -33.811 43.306 14.057 1324 HH11 ARG 73 HH21 ARG 73 -32.552 40.487 12.493 1325 HH12 ARG 73 HH22 ARG 73 -30.894 40.943 12.700 1326 HH21 ARG 73 HH11 ARG 73 -31.640 43.914 14.327 1327 HH22 ARG 73 HH12 ARG 73 -30.378 42.887 13.730 1328 H GLN 74 H GLN 74 -38.966 39.018 14.006 1329 HA GLN 74 HA GLN 74 -40.692 38.721 11.650 1330 HB2 GLN 74 HB2 GLN 74 -39.542 36.536 11.899 1331 HB3 GLN 74 HB3 GLN 74 -40.139 36.433 13.556 1332 HG2 GLN 74 HG2 GLN 74 -42.429 36.391 12.808 1333 HG3 GLN 74 HG3 GLN 74 -41.951 36.769 11.153 1334 HE21 GLN 74 HE21 GLN 74 -43.213 34.260 12.647 1335 HE22 GLN 74 HE22 GLN 74 -42.339 32.972 11.971 1336 H GLY 75 H GLY 75 -41.709 40.533 12.712 1337 HA2 GLY 75 HA2 GLY 75 -43.633 41.260 13.797 1338 HA3 GLY 75 HA3 GLY 75 -43.783 39.674 14.546 1339 H GLN 76 H GLN 76 -42.485 39.199 16.404 1340 HA GLN 76 HA GLN 76 -41.278 41.516 17.802 1341 HB2 GLN 76 HB2 GLN 76 -43.641 41.238 18.546 1342 HB3 GLN 76 HB3 GLN 76 -43.255 39.593 19.050 1343 HG2 GLN 76 HG2 GLN 76 -41.664 40.379 20.673 1344 HG3 GLN 76 HG3 GLN 76 -41.753 42.025 20.047 1345 HE21 GLN 76 HE21 GLN 76 -44.283 42.787 19.995 1346 HE22 GLN 76 HE22 GLN 76 -45.101 42.510 21.457 1347 H SER 77 H SER 77 -41.563 38.054 17.339 1348 HA SER 77 HA SER 77 -39.500 37.431 19.293 1349 HB2 SER 77 HB2 SER 77 -40.917 35.709 17.246 1350 HB3 SER 77 HB3 SER 77 -39.792 35.114 18.466 1351 HG SER 77 HG SER 77 -42.002 36.697 19.190 1352 H MET 78 H MET 78 -37.390 37.091 18.895 1353 HA MET 78 HA MET 78 -36.348 37.766 16.251 1354 HB2 MET 78 HB2 MET 78 -34.909 37.096 18.831 1355 HB3 MET 78 HB3 MET 78 -34.164 37.735 17.364 1356 HG2 MET 78 HG2 MET 78 -35.688 39.730 17.545 1357 HG3 MET 78 HG3 MET 78 -36.228 39.113 19.106 1358 HE1 MET 78 HE1 MET 78 -33.240 37.898 20.320 1359 HE2 MET 78 HE2 MET 78 -34.840 38.402 20.863 1360 HE3 MET 78 HE3 MET 78 -33.407 39.251 21.442 1361 H ILE 79 H ILE 79 -37.000 35.932 15.049 1362 HA ILE 79 HA ILE 79 -36.154 33.278 15.860 1363 HB ILE 79 HB ILE 79 -38.283 33.669 14.645 1364 HG12 ILE 79 HG12 ILE 79 -36.341 32.074 12.956 1365 HG13 ILE 79 HG13 ILE 79 -36.950 31.505 14.512 1366 HG21 ILE 79 HG21 ILE 79 -38.286 34.353 12.344 1367 HG22 ILE 79 HG22 ILE 79 -36.527 34.261 12.250 1368 HG23 ILE 79 HG23 ILE 79 -37.295 35.525 13.211 1369 HD11 ILE 79 HD11 ILE 79 -38.785 32.389 12.275 1370 HD12 ILE 79 HD12 ILE 79 -39.206 31.476 13.723 1371 HD13 ILE 79 HD13 ILE 79 -38.245 30.719 12.452 1372 H TYR 80 H TYR 80 -34.552 32.049 14.937 1373 HA TYR 80 HA TYR 80 -32.655 33.420 13.098 1374 HB2 TYR 80 HB2 TYR 80 -31.892 31.290 15.094 1375 HB3 TYR 80 HB3 TYR 80 -30.850 32.436 14.250 1376 HD1 TYR 80 HD2 TYR 80 -30.794 34.814 14.908 1377 HD2 TYR 80 HD1 TYR 80 -33.163 31.941 17.051 1378 HE1 TYR 80 HE2 TYR 80 -31.031 36.411 16.791 1379 HE2 TYR 80 HE1 TYR 80 -33.396 33.537 18.933 1380 HH TYR 80 HH TYR 80 -32.503 36.843 18.658 1381 H SER 81 H SER 81 -31.635 32.121 11.533 1382 HA SER 81 HA SER 81 -32.527 29.346 11.195 1383 HB2 SER 81 HB2 SER 81 -33.482 29.671 9.058 1384 HB3 SER 81 HB3 SER 81 -34.164 30.962 10.047 1385 HG SER 81 HG SER 81 -32.970 31.300 7.823 1386 H LEU 82 H LEU 82 -31.517 28.539 9.002 1387 HA LEU 82 HA LEU 82 -28.706 28.675 9.320 1388 HB2 LEU 82 HB2 LEU 82 -30.100 27.739 6.814 1389 HB3 LEU 82 HB3 LEU 82 -28.581 27.166 7.501 1390 HG LEU 82 HG LEU 82 -31.358 26.776 8.655 1391 HD11 LEU 82 HD11 LEU 82 -30.817 25.261 6.811 1392 HD12 LEU 82 HD12 LEU 82 -30.794 24.374 8.336 1393 HD13 LEU 82 HD13 LEU 82 -29.279 24.854 7.571 1394 HD21 LEU 82 HD21 LEU 82 -29.941 27.100 10.537 1395 HD22 LEU 82 HD22 LEU 82 -28.607 26.228 9.781 1396 HD23 LEU 82 HD23 LEU 82 -30.031 25.352 10.339 1397 H ASP 83 H ASP 83 -27.155 29.323 7.634 1398 HA ASP 83 HA ASP 83 -27.644 32.027 6.806 1399 HB2 ASP 83 HB2 ASP 83 -25.419 31.290 7.549 1400 HB3 ASP 83 HB3 ASP 83 -25.329 30.176 6.186 1401 H ASP 84 H ASP 84 -26.538 29.240 4.853 1402 HA ASP 84 HA ASP 84 -28.539 29.799 2.806 1403 HB2 ASP 84 HB2 ASP 84 -25.562 30.071 2.331 1404 HB3 ASP 84 HB3 ASP 84 -26.740 29.866 1.035 1405 H ILE 85 H ILE 85 -27.683 28.192 0.805 1406 HA ILE 85 HA ILE 85 -27.817 25.555 2.035 1407 HB ILE 85 HB ILE 85 -27.874 24.865 -0.460 1408 HG12 ILE 85 HG12 ILE 85 -27.007 27.281 -1.069 1409 HG13 ILE 85 HG13 ILE 85 -28.162 26.470 -2.110 1410 HG21 ILE 85 HG21 ILE 85 -29.862 24.700 0.783 1411 HG22 ILE 85 HG22 ILE 85 -30.293 25.661 -0.630 1412 HG23 ILE 85 HG23 ILE 85 -30.026 26.450 0.924 1413 HD11 ILE 85 HD11 ILE 85 -29.298 28.188 0.054 1414 HD12 ILE 85 HD12 ILE 85 -29.866 27.902 -1.586 1415 HD13 ILE 85 HD13 ILE 85 -28.510 28.989 -1.302 1416 H HIS 86 H HIS 86 -25.829 25.167 2.931 1417 HA HIS 86 HA HIS 86 -23.846 24.093 1.225 1418 HB2 HIS 86 HB2 HIS 86 -22.016 25.644 1.594 1419 HB3 HIS 86 HB3 HIS 86 -23.360 26.512 0.854 1420 HD1 HIS 86 HD1 HIS 86 -23.987 28.624 2.010 1421 HD2 HIS 86 HD2 HIS 86 -22.133 25.951 4.616 1422 HE1 HIS 86 HE1 HIS 86 -23.831 29.800 4.246 1423 HE2 HIS 86 HE2 HIS 86 -22.664 28.201 5.836 1424 H VAL 87 H VAL 87 -25.147 24.886 4.263 1425 HA VAL 87 HA VAL 87 -22.982 23.826 5.864 1426 HB VAL 87 HB VAL 87 -24.495 24.172 7.743 1427 HG11 VAL 87 HG11 VAL 87 -23.324 26.127 6.646 1428 HG12 VAL 87 HG12 VAL 87 -24.784 26.558 7.535 1429 HG13 VAL 87 HG13 VAL 87 -24.823 26.452 5.775 1430 HG21 VAL 87 HG21 VAL 87 -26.541 24.587 5.550 1431 HG22 VAL 87 HG22 VAL 87 -26.803 25.104 7.216 1432 HG23 VAL 87 HG23 VAL 87 -26.582 23.394 6.848 1433 H ALA 88 H ALA 88 -26.043 22.666 4.561 1434 HA ALA 88 HA ALA 88 -26.235 20.305 6.107 1435 HB1 ALA 88 HB1 ALA 88 -28.088 21.321 4.754 1436 HB2 ALA 88 HB2 ALA 88 -27.880 19.590 4.491 1437 HB3 ALA 88 HB3 ALA 88 -27.276 20.742 3.300 1438 H THR 89 H THR 89 -24.460 21.102 3.199 1439 HA THR 89 HA THR 89 -23.829 18.346 2.565 1440 HB THR 89 HB THR 89 -22.644 20.906 1.465 1441 HG1 THR 89 HG1 THR 89 -24.542 21.077 0.612 1442 HG21 THR 89 HG21 THR 89 -21.227 19.047 0.936 1443 HG22 THR 89 HG22 THR 89 -22.201 19.351 -0.502 1444 HG23 THR 89 HG23 THR 89 -22.610 18.014 0.574 1445 H MET 90 H MET 90 -22.338 21.005 4.293 1446 HA MET 90 HA MET 90 -19.688 19.990 4.306 1447 HB2 MET 90 HB2 MET 90 -20.427 22.359 4.842 1448 HB3 MET 90 HB3 MET 90 -20.925 21.757 6.422 1449 HG2 MET 90 HG2 MET 90 -18.706 22.556 6.739 1450 HG3 MET 90 HG3 MET 90 -18.544 20.804 6.626 1451 HE1 MET 90 HE1 MET 90 -16.112 22.009 6.464 1452 HE2 MET 90 HE2 MET 90 -16.515 23.613 5.854 1453 HE3 MET 90 HE3 MET 90 -15.414 22.578 4.946 1454 H LEU 91 H LEU 91 -22.368 19.711 6.623 1455 HA LEU 91 HA LEU 91 -20.842 18.285 8.565 1456 HB2 LEU 91 HB2 LEU 91 -23.847 18.378 8.226 1457 HB3 LEU 91 HB3 LEU 91 -22.975 17.928 9.686 1458 HG LEU 91 HG LEU 91 -22.657 20.636 8.364 1459 HD11 LEU 91 HD11 LEU 91 -24.260 21.498 10.006 1460 HD12 LEU 91 HD12 LEU 91 -24.511 19.871 10.637 1461 HD13 LEU 91 HD13 LEU 91 -25.025 20.269 8.998 1462 HD21 LEU 91 HD21 LEU 91 -21.941 19.482 11.072 1463 HD22 LEU 91 HD22 LEU 91 -22.000 21.216 10.769 1464 HD23 LEU 91 HD23 LEU 91 -20.863 20.210 9.880 1465 H LYS 92 H LYS 92 -23.412 17.201 6.331 1466 HA LYS 92 HA LYS 92 -23.232 14.490 7.061 1467 HB2 LYS 92 HB2 LYS 92 -24.373 15.941 4.681 1468 HB3 LYS 92 HB3 LYS 92 -24.390 14.181 4.742 1469 HG2 LYS 92 HG2 LYS 92 -26.485 15.256 5.624 1470 HG3 LYS 92 HG3 LYS 92 -25.684 14.187 6.773 1471 HD2 LYS 92 HD2 LYS 92 -24.769 16.026 7.991 1472 HD3 LYS 92 HD3 LYS 92 -25.187 17.170 6.717 1473 HE2 LYS 92 HE2 LYS 92 -27.526 16.972 7.180 1474 HE3 LYS 92 HE3 LYS 92 -27.272 15.561 8.207 1475 HZ1 LYS 92 HZ1 LYS 92 -26.950 16.878 9.936 1476 HZ2 LYS 92 HZ2 LYS 92 -27.311 18.228 8.971 1477 HZ3 LYS 92 HZ3 LYS 92 -25.702 17.707 9.138 1478 H GLN 93 H GLN 93 -21.060 16.349 5.212 1479 HA GLN 93 HA GLN 93 -20.063 14.041 3.676 1480 HB2 GLN 93 HB2 GLN 93 -19.397 16.986 3.676 1481 HB3 GLN 93 HB3 GLN 93 -18.437 15.794 2.800 1482 HG2 GLN 93 HG2 GLN 93 -21.432 16.020 2.452 1483 HG3 GLN 93 HG3 GLN 93 -20.299 16.942 1.467 1484 HE21 GLN 93 HE21 GLN 93 -21.884 15.141 0.098 1485 HE22 GLN 93 HE22 GLN 93 -20.976 13.784 -0.369 1486 H ALA 94 H ALA 94 -19.369 15.939 6.505 1487 HA ALA 94 HA ALA 94 -16.617 15.251 6.774 1488 HB1 ALA 94 HB1 ALA 94 -16.783 16.132 8.991 1489 HB2 ALA 94 HB2 ALA 94 -18.531 15.891 9.026 1490 HB3 ALA 94 HB3 ALA 94 -17.832 17.128 7.980 1491 H ILE 95 H ILE 95 -19.536 13.997 8.403 1492 HA ILE 95 HA ILE 95 -18.201 11.865 9.709 1493 HB ILE 95 HB ILE 95 -20.419 12.766 10.392 1494 HG12 ILE 95 HG12 ILE 95 -20.611 9.830 9.680 1495 HG13 ILE 95 HG13 ILE 95 -19.565 10.428 10.968 1496 HG21 ILE 95 HG21 ILE 95 -21.235 12.908 7.973 1497 HG22 ILE 95 HG22 ILE 95 -22.393 12.269 9.140 1498 HG23 ILE 95 HG23 ILE 95 -21.522 11.171 8.071 1499 HD11 ILE 95 HD11 ILE 95 -22.570 10.796 10.785 1500 HD12 ILE 95 HD12 ILE 95 -21.546 11.495 12.038 1501 HD13 ILE 95 HD13 ILE 95 -21.715 9.745 11.914 1502 H HIS 96 H HIS 96 -19.498 12.246 6.497 1503 HA HIS 96 HA HIS 96 -19.809 9.535 5.795 1504 HB2 HIS 96 HB2 HIS 96 -20.616 11.468 4.436 1505 HB3 HIS 96 HB3 HIS 96 -18.945 11.797 3.979 1506 HD1 HIS 96 HD1 HIS 96 -19.060 8.282 4.236 1507 HD2 HIS 96 HD2 HIS 96 -20.491 10.967 1.386 1508 HE1 HIS 96 HE1 HIS 96 -19.438 6.946 2.120 1509 HE2 HIS 96 HE2 HIS 96 -20.314 8.566 0.372 1510 H HIS 97 H HIS 97 -16.983 11.658 5.787 1511 HA HIS 97 HA HIS 97 -15.237 9.916 4.398 1512 HB2 HIS 97 HB2 HIS 97 -14.836 12.364 4.860 1513 HB3 HIS 97 HB3 HIS 97 -14.454 11.921 6.523 1514 HD1 HIS 97 HD1 HIS 97 -12.970 12.173 3.194 1515 HD2 HIS 97 HD2 HIS 97 -12.170 10.010 6.667 1516 HE1 HIS 97 HE1 HIS 97 -10.602 11.311 2.969 1517 HE2 HIS 97 HE2 HIS 97 -10.092 9.996 5.081 1518 H ALA 98 H ALA 98 -15.262 10.645 7.897 1519 HA ALA 98 HA ALA 98 -13.540 8.768 8.823 1520 HB1 ALA 98 HB1 ALA 98 -16.197 9.470 10.095 1521 HB2 ALA 98 HB2 ALA 98 -14.699 10.384 10.271 1522 HB3 ALA 98 HB3 ALA 98 -14.816 8.749 10.924 1523 H ASN 99 H ASN 99 -16.654 8.156 7.424 1524 HA ASN 99 HA ASN 99 -16.879 5.459 8.463 1525 HB2 ASN 99 HB2 ASN 99 -18.433 6.854 6.271 1526 HB3 ASN 99 HB3 ASN 99 -18.855 5.316 7.022 1527 HD21 ASN 99 HD21 ASN 99 -20.379 7.921 7.074 1528 HD22 ASN 99 HD22 ASN 99 -20.568 8.292 8.719 1529 H HIS 100 H HIS 100 -16.169 3.639 7.552 1530 HA HIS 100 HA HIS 100 -15.627 3.433 4.717 1531 HB2 HIS 100 HB2 HIS 100 -13.380 3.383 6.743 1532 HB3 HIS 100 HB3 HIS 100 -13.234 2.730 5.112 1533 HD1 HIS 100 HD1 HIS 100 -14.615 4.806 3.423 1534 HD2 HIS 100 HD2 HIS 100 -12.120 5.843 6.598 1535 HE1 HIS 100 HE1 HIS 100 -13.808 7.159 2.958 1536 HE2 HIS 100 HE2 HIS 100 -12.282 7.807 4.881 1537 HA PRO 101 HA PRO 101 -16.635 -0.448 7.135 1538 HB2 PRO 101 HB2 PRO 101 -19.179 -0.868 6.303 1539 HB3 PRO 101 HB3 PRO 101 -18.806 0.288 7.595 1540 HG2 PRO 101 HG2 PRO 101 -19.312 0.813 4.688 1541 HG3 PRO 101 HG3 PRO 101 -19.973 1.648 6.103 1542 HD2 PRO 101 HD2 PRO 101 -17.821 2.605 4.674 1543 HD3 PRO 101 HD3 PRO 101 -18.043 2.922 6.408 1544 H LYS 102 H LYS 102 -18.804 -0.918 4.512 1545 HA LYS 102 HA LYS 102 -16.787 -2.256 2.822 1546 HB2 LYS 102 HB2 LYS 102 -19.254 -3.534 4.014 1547 HB3 LYS 102 HB3 LYS 102 -18.423 -4.185 2.602 1548 HG2 LYS 102 HG2 LYS 102 -16.382 -4.494 3.853 1549 HG3 LYS 102 HG3 LYS 102 -17.040 -3.627 5.238 1550 HD2 LYS 102 HD2 LYS 102 -17.238 -5.934 5.790 1551 HD3 LYS 102 HD3 LYS 102 -18.859 -5.422 5.334 1552 HE2 LYS 102 HE2 LYS 102 -18.664 -6.440 3.169 1553 HE3 LYS 102 HE3 LYS 102 -16.934 -6.712 3.381 1554 HZ1 LYS 102 HZ1 LYS 102 -17.299 -8.380 4.917 1555 HZ2 LYS 102 HZ2 LYS 102 -18.537 -8.646 3.786 1556 HZ3 LYS 102 HZ3 LYS 102 -18.884 -7.877 5.259 1557 H GLU 103 H GLU 103 -17.920 0.180 2.250 1558 HA GLU 103 HA GLU 103 -20.315 0.351 0.931 1559 HB2 GLU 103 HB2 GLU 103 -19.248 2.066 -0.514 1560 HB3 GLU 103 HB3 GLU 103 -18.837 2.273 1.189 1561 HG2 GLU 103 HG2 GLU 103 -16.739 0.911 0.722 1562 HG3 GLU 103 HG3 GLU 103 -17.125 1.057 -0.991 Start of MODEL 4 1 H ASN 9 H ASN 9 -21.630 7.018 18.570 2 HA ASN 9 HA ASN 9 -22.293 8.494 16.363 3 HB2 ASN 9 HB2 ASN 9 -24.627 8.532 17.211 4 HB3 ASN 9 HB3 ASN 9 -24.050 9.225 18.725 5 HD21 ASN 9 HD21 ASN 9 -24.791 9.932 15.370 6 HD22 ASN 9 HD22 ASN 9 -24.472 11.597 15.453 7 H THR 10 H THR 10 -22.247 9.012 19.900 8 HA THR 10 HA THR 10 -20.695 11.289 19.999 9 HB THR 10 HB THR 10 -20.555 8.958 21.928 10 HG1 THR 10 HG1 THR 10 -22.662 10.035 21.318 11 HG21 THR 10 HG21 THR 10 -19.873 11.900 22.144 12 HG22 THR 10 HG22 THR 10 -18.790 10.528 22.378 13 HG23 THR 10 HG23 THR 10 -20.070 10.851 23.547 14 H ASP 11 H ASP 11 -19.681 7.961 19.498 15 HA ASP 11 HA ASP 11 -16.903 8.330 19.881 16 HB2 ASP 11 HB2 ASP 11 -18.298 6.350 18.064 17 HB3 ASP 11 HB3 ASP 11 -16.652 6.223 18.684 18 H THR 12 H THR 12 -18.788 8.148 16.851 19 HA THR 12 HA THR 12 -16.659 8.876 15.148 20 HB THR 12 HB THR 12 -18.527 9.473 13.540 21 HG1 THR 12 HG1 THR 12 -20.406 8.297 15.099 22 HG21 THR 12 HG21 THR 12 -19.352 7.119 13.411 23 HG22 THR 12 HG22 THR 12 -18.621 6.809 14.986 24 HG23 THR 12 HG23 THR 12 -17.602 7.216 13.606 25 H LEU 13 H LEU 13 -19.371 10.835 16.392 26 HA LEU 13 HA LEU 13 -18.791 13.273 15.312 27 HB2 LEU 13 HB2 LEU 13 -20.708 12.681 16.862 28 HB3 LEU 13 HB3 LEU 13 -19.584 12.879 18.201 29 HG LEU 13 HG LEU 13 -19.114 15.232 17.166 30 HD11 LEU 13 HD11 LEU 13 -21.199 16.151 16.057 31 HD12 LEU 13 HD12 LEU 13 -21.737 14.490 15.838 32 HD13 LEU 13 HD13 LEU 13 -20.258 15.052 15.057 33 HD21 LEU 13 HD21 LEU 13 -20.215 14.995 19.302 34 HD22 LEU 13 HD22 LEU 13 -21.721 14.510 18.525 35 HD23 LEU 13 HD23 LEU 13 -21.133 16.163 18.350 36 H GLU 14 H GLU 14 -17.038 11.598 17.817 37 HA GLU 14 HA GLU 14 -15.549 13.804 18.808 38 HB2 GLU 14 HB2 GLU 14 -15.816 11.449 19.821 39 HB3 GLU 14 HB3 GLU 14 -14.549 10.957 18.701 40 HG2 GLU 14 HG2 GLU 14 -14.269 13.240 20.678 41 HG3 GLU 14 HG3 GLU 14 -13.697 11.601 20.972 42 H ARG 15 H ARG 15 -14.613 11.209 16.543 43 HA ARG 15 HA ARG 15 -12.141 12.294 15.803 44 HB2 ARG 15 HB2 ARG 15 -14.022 10.512 14.237 45 HB3 ARG 15 HB3 ARG 15 -12.343 10.830 13.797 46 HG2 ARG 15 HG2 ARG 15 -11.684 9.996 16.095 47 HG3 ARG 15 HG3 ARG 15 -13.356 9.486 16.316 48 HD2 ARG 15 HD2 ARG 15 -11.651 8.596 13.977 49 HD3 ARG 15 HD3 ARG 15 -11.777 7.686 15.477 50 HE ARG 15 HE ARG 15 -13.965 7.087 14.913 51 HH11 ARG 15 HH21 ARG 15 -12.644 9.414 12.711 52 HH12 ARG 15 HH22 ARG 15 -13.934 9.259 11.565 53 HH21 ARG 15 HH11 ARG 15 -15.648 6.879 13.413 54 HH22 ARG 15 HH12 ARG 15 -15.630 7.821 11.959 55 H VAL 16 H VAL 16 -15.377 12.822 14.462 56 HA VAL 16 HA VAL 16 -14.823 14.134 12.115 57 HB VAL 16 HB VAL 16 -16.926 14.830 14.180 58 HG11 VAL 16 HG11 VAL 16 -16.538 15.680 11.304 59 HG12 VAL 16 HG12 VAL 16 -16.765 16.709 12.718 60 HG13 VAL 16 HG13 VAL 16 -18.108 15.746 12.103 61 HG21 VAL 16 HG21 VAL 16 -18.352 13.351 12.976 62 HG22 VAL 16 HG22 VAL 16 -16.833 12.475 13.157 63 HG23 VAL 16 HG23 VAL 16 -17.228 13.247 11.622 64 H THR 17 H THR 17 -14.785 15.500 15.395 65 HA THR 17 HA THR 17 -14.229 18.164 14.631 66 HB THR 17 HB THR 17 -13.391 16.824 17.209 67 HG1 THR 17 HG1 THR 17 -15.689 16.634 16.417 68 HG21 THR 17 HG21 THR 17 -14.148 19.673 16.494 69 HG22 THR 17 HG22 THR 17 -12.519 19.096 16.840 70 HG23 THR 17 HG23 THR 17 -13.741 19.102 18.113 71 H GLU 18 H GLU 18 -12.163 15.383 15.257 72 HA GLU 18 HA GLU 18 -9.683 16.709 15.378 73 HB2 GLU 18 HB2 GLU 18 -10.192 14.270 15.926 74 HB3 GLU 18 HB3 GLU 18 -10.132 13.967 14.190 75 HG2 GLU 18 HG2 GLU 18 -7.943 13.497 15.071 76 HG3 GLU 18 HG3 GLU 18 -7.828 15.014 14.184 77 H ILE 19 H ILE 19 -11.815 16.082 12.745 78 HA ILE 19 HA ILE 19 -9.856 16.191 10.653 79 HB ILE 19 HB ILE 19 -12.817 16.764 10.435 80 HG12 ILE 19 HG12 ILE 19 -11.360 14.109 10.236 81 HG13 ILE 19 HG13 ILE 19 -12.366 14.603 11.598 82 HG21 ILE 19 HG21 ILE 19 -11.405 17.337 8.473 83 HG22 ILE 19 HG22 ILE 19 -12.487 15.990 8.126 84 HG23 ILE 19 HG23 ILE 19 -10.783 15.687 8.458 85 HD11 ILE 19 HD11 ILE 19 -14.270 14.914 9.970 86 HD12 ILE 19 HD12 ILE 19 -13.732 13.244 10.143 87 HD13 ILE 19 HD13 ILE 19 -13.250 14.184 8.731 88 H PHE 20 H PHE 20 -11.764 18.561 12.393 89 HA PHE 20 HA PHE 20 -11.209 20.695 10.510 90 HB2 PHE 20 HB2 PHE 20 -12.535 20.595 13.223 91 HB3 PHE 20 HB3 PHE 20 -12.280 22.101 12.344 92 HD1 PHE 20 HD2 PHE 20 -13.988 18.813 12.269 93 HD2 PHE 20 HD1 PHE 20 -13.577 22.654 10.391 94 HE1 PHE 20 HE2 PHE 20 -16.008 18.362 10.903 95 HE2 PHE 20 HE1 PHE 20 -15.601 22.205 9.030 96 HZ PHE 20 HZ PHE 20 -16.816 20.059 9.286 97 H LYS 21 H LYS 21 -10.555 20.470 14.013 98 HA LYS 21 HA LYS 21 -8.781 22.520 14.261 99 HB2 LYS 21 HB2 LYS 21 -9.607 21.137 16.144 100 HB3 LYS 21 HB3 LYS 21 -8.518 19.842 15.648 101 HG2 LYS 21 HG2 LYS 21 -6.578 21.252 16.026 102 HG3 LYS 21 HG3 LYS 21 -7.608 22.647 16.353 103 HD2 LYS 21 HD2 LYS 21 -8.580 21.422 18.300 104 HD3 LYS 21 HD3 LYS 21 -7.444 20.106 18.002 105 HE2 LYS 21 HE2 LYS 21 -6.839 22.942 18.851 106 HE3 LYS 21 HE3 LYS 21 -6.394 21.441 19.663 107 HZ1 LYS 21 HZ1 LYS 21 -4.514 22.393 18.491 108 HZ2 LYS 21 HZ2 LYS 21 -5.375 22.356 17.027 109 HZ3 LYS 21 HZ3 LYS 21 -4.951 20.904 17.801 110 H ALA 22 H ALA 22 -8.087 19.287 13.029 111 HA ALA 22 HA ALA 22 -5.301 19.360 13.078 112 HB1 ALA 22 HB1 ALA 22 -5.433 17.716 11.201 113 HB2 ALA 22 HB2 ALA 22 -7.164 18.040 11.091 114 HB3 ALA 22 HB3 ALA 22 -6.492 17.318 12.553 115 H LEU 23 H LEU 23 -7.520 21.068 11.049 116 HA LEU 23 HA LEU 23 -5.519 21.688 9.009 117 HB2 LEU 23 HB2 LEU 23 -8.285 22.866 9.251 118 HB3 LEU 23 HB3 LEU 23 -7.286 22.701 7.807 119 HG LEU 23 HG LEU 23 -8.498 20.423 9.400 120 HD11 LEU 23 HD11 LEU 23 -9.139 21.621 6.692 121 HD12 LEU 23 HD12 LEU 23 -10.188 21.571 8.108 122 HD13 LEU 23 HD13 LEU 23 -9.780 20.079 7.260 123 HD21 LEU 23 HD21 LEU 23 -6.458 19.603 8.505 124 HD22 LEU 23 HD22 LEU 23 -6.650 20.518 7.009 125 HD23 LEU 23 HD23 LEU 23 -7.678 19.122 7.327 126 H GLY 24 H GLY 24 -5.825 22.747 12.042 127 HA2 GLY 24 HA2 GLY 24 -6.107 25.523 11.925 128 HA3 GLY 24 HA3 GLY 24 -5.175 24.655 13.139 129 H ASP 25 H ASP 25 -3.057 23.651 11.961 130 HA ASP 25 HA ASP 25 -1.245 25.682 11.656 131 HB2 ASP 25 HB2 ASP 25 -1.225 22.927 10.413 132 HB3 ASP 25 HB3 ASP 25 0.163 24.014 10.398 133 H TYR 26 H TYR 26 -1.607 27.390 10.347 134 HA TYR 26 HA TYR 26 -2.894 27.459 7.899 135 HB2 TYR 26 HB2 TYR 26 -0.500 29.157 8.629 136 HB3 TYR 26 HB3 TYR 26 -1.805 29.573 7.519 137 HD1 TYR 26 HD1 TYR 26 -0.882 29.087 11.061 138 HD2 TYR 26 HD2 TYR 26 -3.992 30.245 8.335 139 HE1 TYR 26 HE1 TYR 26 -2.185 30.032 12.949 140 HE2 TYR 26 HE2 TYR 26 -5.295 31.189 10.222 141 HH TYR 26 HH TYR 26 -5.201 31.799 12.393 142 H ASN 27 H ASN 27 0.153 26.102 8.677 143 HA ASN 27 HA ASN 27 1.254 26.243 5.998 144 HB2 ASN 27 HB2 ASN 27 2.117 24.775 8.497 145 HB3 ASN 27 HB3 ASN 27 3.007 24.734 6.976 146 HD21 ASN 27 HD21 ASN 27 4.849 25.963 7.620 147 HD22 ASN 27 HD22 ASN 27 4.752 27.581 8.125 148 H ARG 28 H ARG 28 -0.448 23.891 8.000 149 HA ARG 28 HA ARG 28 0.003 21.682 6.237 150 HB2 ARG 28 HB2 ARG 28 -0.518 21.470 8.680 151 HB3 ARG 28 HB3 ARG 28 -2.169 21.982 8.321 152 HG2 ARG 28 HG2 ARG 28 -2.472 20.077 6.823 153 HG3 ARG 28 HG3 ARG 28 -0.793 19.591 7.058 154 HD2 ARG 28 HD2 ARG 28 -2.738 19.849 9.359 155 HD3 ARG 28 HD3 ARG 28 -2.540 18.347 8.460 156 HE ARG 28 HE ARG 28 0.016 19.086 9.186 157 HH11 ARG 28 HH21 ARG 28 -2.996 18.487 10.783 158 HH12 ARG 28 HH22 ARG 28 -2.264 17.882 12.232 159 HH21 ARG 28 HH11 ARG 28 0.981 18.294 11.084 160 HH22 ARG 28 HH12 ARG 28 -0.014 17.775 12.402 161 H ILE 29 H ILE 29 -2.552 24.082 6.600 162 HA ILE 29 HA ILE 29 -4.409 22.745 4.897 163 HB ILE 29 HB ILE 29 -5.140 24.379 6.571 164 HG12 ILE 29 HG12 ILE 29 -6.666 25.700 5.186 165 HG13 ILE 29 HG13 ILE 29 -5.684 25.390 3.760 166 HG21 ILE 29 HG21 ILE 29 -3.063 25.828 6.222 167 HG22 ILE 29 HG22 ILE 29 -4.583 26.690 6.451 168 HG23 ILE 29 HG23 ILE 29 -3.902 26.518 4.833 169 HD11 ILE 29 HD11 ILE 29 -6.777 23.072 5.344 170 HD12 ILE 29 HD12 ILE 29 -6.342 23.150 3.636 171 HD13 ILE 29 HD13 ILE 29 -7.815 23.929 4.207 172 H ARG 30 H ARG 30 -1.827 25.082 4.363 173 HA ARG 30 HA ARG 30 -2.607 25.777 1.703 174 HB2 ARG 30 HB2 ARG 30 -0.025 26.041 3.247 175 HB3 ARG 30 HB3 ARG 30 -0.192 26.589 1.579 176 HG2 ARG 30 HG2 ARG 30 -1.976 28.111 2.196 177 HG3 ARG 30 HG3 ARG 30 -2.005 27.474 3.840 178 HD2 ARG 30 HD2 ARG 30 0.174 28.354 4.313 179 HD3 ARG 30 HD3 ARG 30 0.452 28.747 2.618 180 HE ARG 30 HE ARG 30 -1.747 30.219 3.206 181 HH11 ARG 30 HH21 ARG 30 1.322 29.765 4.739 182 HH12 ARG 30 HH22 ARG 30 1.366 31.352 5.430 183 HH21 ARG 30 HH11 ARG 30 -1.692 32.304 4.104 184 HH22 ARG 30 HH12 ARG 30 -0.340 32.791 5.069 185 H ILE 31 H ILE 31 -0.632 23.246 3.122 186 HA ILE 31 HA ILE 31 0.595 22.398 0.680 187 HB ILE 31 HB ILE 31 0.167 20.995 3.327 188 HG12 ILE 31 HG12 ILE 31 2.713 22.055 2.085 189 HG13 ILE 31 HG13 ILE 31 1.697 23.041 3.135 190 HG21 ILE 31 HG21 ILE 31 0.389 19.254 1.696 191 HG22 ILE 31 HG22 ILE 31 1.988 19.457 2.412 192 HG23 ILE 31 HG23 ILE 31 1.640 20.140 0.824 193 HD11 ILE 31 HD11 ILE 31 1.892 21.271 4.897 194 HD12 ILE 31 HD12 ILE 31 3.441 22.004 4.481 195 HD13 ILE 31 HD13 ILE 31 3.024 20.410 3.853 196 H MET 32 H MET 32 -2.483 21.892 2.180 197 HA MET 32 HA MET 32 -3.191 19.532 0.690 198 HB2 MET 32 HB2 MET 32 -4.225 20.256 2.894 199 HB3 MET 32 HB3 MET 32 -5.075 21.509 1.989 200 HG2 MET 32 HG2 MET 32 -5.906 19.628 0.460 201 HG3 MET 32 HG3 MET 32 -5.317 18.510 1.690 202 HE1 MET 32 HE1 MET 32 -5.933 18.952 4.339 203 HE2 MET 32 HE2 MET 32 -6.655 17.638 3.412 204 HE3 MET 32 HE3 MET 32 -7.654 18.593 4.507 205 H GLU 33 H GLU 33 -3.648 23.013 0.344 206 HA GLU 33 HA GLU 33 -5.451 23.077 -1.783 207 HB2 GLU 33 HB2 GLU 33 -3.123 24.906 -1.147 208 HB3 GLU 33 HB3 GLU 33 -4.363 25.267 -2.346 209 HG2 GLU 33 HG2 GLU 33 -5.073 24.582 0.510 210 HG3 GLU 33 HG3 GLU 33 -4.698 26.232 0.022 211 H LEU 34 H LEU 34 -2.025 22.354 -1.717 212 HA LEU 34 HA LEU 34 -1.653 22.563 -4.553 213 HB2 LEU 34 HB2 LEU 34 0.077 22.706 -2.570 214 HB3 LEU 34 HB3 LEU 34 0.157 20.966 -2.758 215 HG LEU 34 HG LEU 34 1.903 21.873 -4.099 216 HD11 LEU 34 HD11 LEU 34 -0.338 21.319 -6.048 217 HD12 LEU 34 HD12 LEU 34 0.450 20.057 -5.097 218 HD13 LEU 34 HD13 LEU 34 1.383 21.000 -6.255 219 HD21 LEU 34 HD21 LEU 34 0.658 24.197 -4.245 220 HD22 LEU 34 HD22 LEU 34 0.052 23.555 -5.770 221 HD23 LEU 34 HD23 LEU 34 1.783 23.707 -5.503 222 H LEU 35 H LEU 35 -1.317 19.690 -2.451 223 HA LEU 35 HA LEU 35 -1.446 17.809 -4.502 224 HB2 LEU 35 HB2 LEU 35 -2.104 17.682 -1.563 225 HB3 LEU 35 HB3 LEU 35 -2.325 16.268 -2.590 226 HG LEU 35 HG LEU 35 0.032 16.375 -3.275 227 HD11 LEU 35 HD11 LEU 35 1.509 17.970 -1.900 228 HD12 LEU 35 HD12 LEU 35 0.019 18.829 -1.511 229 HD13 LEU 35 HD13 LEU 35 0.547 18.692 -3.188 230 HD21 LEU 35 HD21 LEU 35 -0.201 16.554 -0.258 231 HD22 LEU 35 HD22 LEU 35 0.998 15.648 -1.182 232 HD23 LEU 35 HD23 LEU 35 -0.692 15.143 -1.195 233 H SER 36 H SER 36 -3.890 19.849 -3.364 234 HA SER 36 HA SER 36 -6.137 18.134 -3.894 235 HB2 SER 36 HB2 SER 36 -5.851 21.110 -3.459 236 HB3 SER 36 HB3 SER 36 -7.402 20.346 -3.804 237 HG SER 36 HG SER 36 -6.302 18.887 -1.952 238 H VAL 37 H VAL 37 -4.643 20.880 -5.612 239 HA VAL 37 HA VAL 37 -6.341 20.525 -7.922 240 HB VAL 37 HB VAL 37 -5.589 22.757 -7.359 241 HG11 VAL 37 HG11 VAL 37 -3.167 23.326 -7.514 242 HG12 VAL 37 HG12 VAL 37 -2.803 21.613 -7.720 243 HG13 VAL 37 HG13 VAL 37 -3.511 22.190 -6.211 244 HG21 VAL 37 HG21 VAL 37 -5.798 22.016 -9.798 245 HG22 VAL 37 HG22 VAL 37 -4.038 21.906 -9.812 246 HG23 VAL 37 HG23 VAL 37 -4.821 23.456 -9.511 247 H SER 38 H SER 38 -3.241 19.373 -6.864 248 HA SER 38 HA SER 38 -3.079 17.486 -8.995 249 HB2 SER 38 HB2 SER 38 -1.175 18.323 -10.193 250 HB3 SER 38 HB3 SER 38 -2.375 19.614 -10.156 251 HG SER 38 HG SER 38 0.104 19.457 -8.976 252 H GLU 39 H GLU 39 -2.186 15.772 -8.060 253 HA GLU 39 HA GLU 39 -1.045 15.622 -5.572 254 HB2 GLU 39 HB2 GLU 39 -0.089 13.865 -7.831 255 HB3 GLU 39 HB3 GLU 39 -0.327 13.443 -6.135 256 HG2 GLU 39 HG2 GLU 39 -2.811 14.000 -6.523 257 HG3 GLU 39 HG3 GLU 39 -2.426 13.970 -8.242 258 H ALA 40 H ALA 40 1.277 14.991 -5.048 259 HA ALA 40 HA ALA 40 3.337 16.161 -6.727 260 HB1 ALA 40 HB1 ALA 40 2.328 18.108 -5.486 261 HB2 ALA 40 HB2 ALA 40 4.047 17.858 -5.181 262 HB3 ALA 40 HB3 ALA 40 2.856 17.345 -3.986 263 H SER 41 H SER 41 5.438 15.613 -6.076 264 HA SER 41 HA SER 41 5.594 13.226 -4.416 265 HB2 SER 41 HB2 SER 41 7.741 14.708 -5.955 266 HB3 SER 41 HB3 SER 41 7.917 13.127 -5.199 267 HG SER 41 HG SER 41 7.387 12.729 -7.288 268 H VAL 42 H VAL 42 7.905 13.240 -3.204 269 HA VAL 42 HA VAL 42 7.486 14.857 -0.909 270 HB VAL 42 HB VAL 42 9.852 13.161 -1.740 271 HG11 VAL 42 HG11 VAL 42 10.331 13.236 0.763 272 HG12 VAL 42 HG12 VAL 42 9.205 14.591 0.850 273 HG13 VAL 42 HG13 VAL 42 10.673 14.724 -0.119 274 HG21 VAL 42 HG21 VAL 42 7.582 12.073 -1.358 275 HG22 VAL 42 HG22 VAL 42 7.691 12.627 0.313 276 HG23 VAL 42 HG23 VAL 42 8.881 11.489 -0.317 277 H GLY 43 H GLY 43 10.301 14.827 -3.124 278 HA2 GLY 43 HA2 GLY 43 11.382 17.205 -2.039 279 HA3 GLY 43 HA3 GLY 43 11.893 16.434 -3.535 280 H HIS 44 H HIS 44 8.934 16.699 -4.430 281 HA HIS 44 HA HIS 44 9.378 19.101 -5.905 282 HB2 HIS 44 HB2 HIS 44 8.190 17.153 -6.844 283 HB3 HIS 44 HB3 HIS 44 6.878 17.409 -5.694 284 HD1 HIS 44 HD1 HIS 44 4.996 18.374 -7.032 285 HD2 HIS 44 HD2 HIS 44 8.643 20.149 -7.997 286 HE1 HIS 44 HE1 HIS 44 4.474 20.245 -8.655 287 HE2 HIS 44 HE2 HIS 44 6.685 21.340 -9.252 288 H ILE 45 H ILE 45 7.427 18.302 -3.088 289 HA ILE 45 HA ILE 45 5.902 20.749 -3.205 290 HB ILE 45 HB ILE 45 5.172 20.105 -0.892 291 HG12 ILE 45 HG12 ILE 45 6.661 17.534 -1.436 292 HG13 ILE 45 HG13 ILE 45 7.357 18.826 -0.458 293 HG21 ILE 45 HG21 ILE 45 3.840 18.206 -1.672 294 HG22 ILE 45 HG22 ILE 45 4.955 17.950 -3.015 295 HG23 ILE 45 HG23 ILE 45 3.969 19.412 -2.953 296 HD11 ILE 45 HD11 ILE 45 6.247 17.240 1.017 297 HD12 ILE 45 HD12 ILE 45 4.764 17.343 0.070 298 HD13 ILE 45 HD13 ILE 45 5.314 18.735 0.999 299 H SER 46 H SER 46 9.035 19.927 -2.055 300 HA SER 46 HA SER 46 9.366 21.655 0.099 301 HB2 SER 46 HB2 SER 46 11.379 21.018 -2.072 302 HB3 SER 46 HB3 SER 46 11.746 21.638 -0.463 303 HG SER 46 HG SER 46 11.774 19.221 -0.962 304 H HIS 47 H HIS 47 8.735 22.386 -3.169 305 HA HIS 47 HA HIS 47 9.951 25.016 -3.170 306 HB2 HIS 47 HB2 HIS 47 9.691 23.672 -5.248 307 HB3 HIS 47 HB3 HIS 47 7.941 23.812 -5.089 308 HD1 HIS 47 HD1 HIS 47 7.089 25.591 -6.598 309 HD2 HIS 47 HD2 HIS 47 10.800 26.611 -4.995 310 HE1 HIS 47 HE1 HIS 47 7.639 27.898 -7.482 311 HE2 HIS 47 HE2 HIS 47 9.899 28.535 -6.516 312 H GLN 48 H GLN 48 7.023 23.610 -2.099 313 HA GLN 48 HA GLN 48 5.402 25.994 -2.350 314 HB2 GLN 48 HB2 GLN 48 4.881 23.475 -0.755 315 HB3 GLN 48 HB3 GLN 48 3.695 24.698 -1.216 316 HG2 GLN 48 HG2 GLN 48 5.313 23.025 -3.162 317 HG3 GLN 48 HG3 GLN 48 3.633 22.720 -2.724 318 HE21 GLN 48 HE21 GLN 48 5.156 23.790 -5.301 319 HE22 GLN 48 HE22 GLN 48 4.179 25.097 -5.773 320 H LEU 49 H LEU 49 6.587 24.108 0.461 321 HA LEU 49 HA LEU 49 7.428 26.410 1.892 322 HB2 LEU 49 HB2 LEU 49 4.841 26.552 1.923 323 HB3 LEU 49 HB3 LEU 49 4.914 25.180 3.015 324 HG LEU 49 HG LEU 49 6.646 26.666 4.340 325 HD11 LEU 49 HD11 LEU 49 6.878 28.493 2.757 326 HD12 LEU 49 HD12 LEU 49 6.031 29.094 4.177 327 HD13 LEU 49 HD13 LEU 49 5.131 28.727 2.709 328 HD21 LEU 49 HD21 LEU 49 4.508 26.026 5.284 329 HD22 LEU 49 HD22 LEU 49 3.666 27.211 4.285 330 HD23 LEU 49 HD23 LEU 49 4.749 27.749 5.570 331 H ASN 50 H ASN 50 6.754 23.044 1.651 332 HA ASN 50 HA ASN 50 7.408 22.189 4.243 333 HB2 ASN 50 HB2 ASN 50 7.786 20.778 1.595 334 HB3 ASN 50 HB3 ASN 50 7.908 20.004 3.174 335 HD21 ASN 50 HD21 ASN 50 5.637 21.598 0.942 336 HD22 ASN 50 HD22 ASN 50 4.234 21.010 1.695 337 H LEU 51 H LEU 51 9.608 20.397 2.699 338 HA LEU 51 HA LEU 51 11.857 22.162 2.632 339 HB2 LEU 51 HB2 LEU 51 11.231 21.770 5.144 340 HB3 LEU 51 HB3 LEU 51 11.975 20.193 4.913 341 HG LEU 51 HG LEU 51 13.319 22.850 4.333 342 HD11 LEU 51 HD11 LEU 51 14.685 22.245 6.353 343 HD12 LEU 51 HD12 LEU 51 13.564 20.917 6.655 344 HD13 LEU 51 HD13 LEU 51 12.993 22.585 6.720 345 HD21 LEU 51 HD21 LEU 51 15.371 21.253 4.376 346 HD22 LEU 51 HD22 LEU 51 14.356 21.256 2.939 347 HD23 LEU 51 HD23 LEU 51 14.192 19.967 4.130 348 H SER 52 H SER 52 11.706 18.796 3.805 349 HA SER 52 HA SER 52 12.537 17.764 1.204 350 HB2 SER 52 HB2 SER 52 14.637 18.583 2.286 351 HB3 SER 52 HB3 SER 52 14.335 17.474 3.621 352 HG SER 52 HG SER 52 15.420 16.161 2.376 353 H GLN 53 H GLN 53 13.728 15.411 2.556 354 HA GLN 53 HA GLN 53 11.290 13.911 2.794 355 HB2 GLN 53 HB2 GLN 53 14.071 12.907 3.400 356 HB3 GLN 53 HB3 GLN 53 12.678 11.985 2.833 357 HG2 GLN 53 HG2 GLN 53 12.729 13.256 0.702 358 HG3 GLN 53 HG3 GLN 53 14.155 14.124 1.268 359 HE21 GLN 53 HE21 GLN 53 13.434 10.636 1.708 360 HE22 GLN 53 HE22 GLN 53 14.784 10.094 0.834 361 H SER 54 H SER 54 14.020 14.498 5.022 362 HA SER 54 HA SER 54 13.199 13.117 7.216 363 HB2 SER 54 HB2 SER 54 15.303 14.424 7.067 364 HB3 SER 54 HB3 SER 54 14.373 15.905 7.286 365 HG SER 54 HG SER 54 14.984 15.364 9.296 366 H ASN 55 H ASN 55 12.229 16.467 6.457 367 HA ASN 55 HA ASN 55 10.508 16.677 8.721 368 HB2 ASN 55 HB2 ASN 55 11.598 18.603 7.532 369 HB3 ASN 55 HB3 ASN 55 10.457 18.360 6.210 370 HD21 ASN 55 HD21 ASN 55 10.611 19.114 9.715 371 HD22 ASN 55 HD22 ASN 55 9.108 19.903 9.764 372 H VAL 56 H VAL 56 9.852 16.259 5.236 373 HA VAL 56 HA VAL 56 7.043 16.216 5.476 374 HB VAL 56 HB VAL 56 8.871 15.026 3.378 375 HG11 VAL 56 HG11 VAL 56 6.773 13.882 3.179 376 HG12 VAL 56 HG12 VAL 56 6.762 15.154 1.959 377 HG13 VAL 56 HG13 VAL 56 5.864 15.367 3.462 378 HG21 VAL 56 HG21 VAL 56 8.406 17.045 2.154 379 HG22 VAL 56 HG22 VAL 56 8.878 17.533 3.782 380 HG23 VAL 56 HG23 VAL 56 7.177 17.537 3.318 381 H SER 57 H SER 57 9.464 13.693 5.802 382 HA SER 57 HA SER 57 7.811 11.441 5.580 383 HB2 SER 57 HB2 SER 57 9.564 10.245 6.771 384 HB3 SER 57 HB3 SER 57 10.296 11.381 5.637 385 HG SER 57 HG SER 57 11.266 12.184 7.300 386 H HIS 58 H HIS 58 8.668 13.381 8.437 387 HA HIS 58 HA HIS 58 7.251 11.759 10.289 388 HB2 HIS 58 HB2 HIS 58 8.137 14.648 10.443 389 HB3 HIS 58 HB3 HIS 58 7.480 13.735 11.801 390 HD1 HIS 58 HD1 HIS 58 9.623 11.871 9.412 391 HD2 HIS 58 HD2 HIS 58 10.102 13.863 13.043 392 HE1 HIS 58 HE1 HIS 58 11.889 11.188 10.308 393 HE2 HIS 58 HE2 HIS 58 12.199 12.394 12.521 394 H GLN 59 H GLN 59 6.269 14.293 8.124 395 HA GLN 59 HA GLN 59 3.824 14.914 9.525 396 HB2 GLN 59 HB2 GLN 59 4.774 15.609 6.736 397 HB3 GLN 59 HB3 GLN 59 3.317 16.253 7.494 398 HG2 GLN 59 HG2 GLN 59 6.091 16.509 8.688 399 HG3 GLN 59 HG3 GLN 59 5.333 17.756 7.698 400 HE21 GLN 59 HE21 GLN 59 5.491 16.401 10.893 401 HE22 GLN 59 HE22 GLN 59 4.284 17.372 11.588 402 H LEU 60 H LEU 60 4.268 13.716 6.191 403 HA LEU 60 HA LEU 60 1.718 12.851 5.712 404 HB2 LEU 60 HB2 LEU 60 4.184 11.326 4.850 405 HB3 LEU 60 HB3 LEU 60 2.614 11.345 4.050 406 HG LEU 60 HG LEU 60 4.444 13.740 4.394 407 HD11 LEU 60 HD11 LEU 60 5.253 12.034 2.775 408 HD12 LEU 60 HD12 LEU 60 4.790 13.538 1.980 409 HD13 LEU 60 HD13 LEU 60 3.712 12.143 1.922 410 HD21 LEU 60 HD21 LEU 60 2.750 14.655 2.627 411 HD22 LEU 60 HD22 LEU 60 2.269 14.637 4.320 412 HD23 LEU 60 HD23 LEU 60 1.683 13.385 3.224 413 H LYS 61 H LYS 61 4.040 11.400 7.848 414 HA LYS 61 HA LYS 61 2.780 8.828 8.001 415 HB2 LYS 61 HB2 LYS 61 5.162 9.269 8.647 416 HB3 LYS 61 HB3 LYS 61 4.568 10.155 10.052 417 HG2 LYS 61 HG2 LYS 61 3.388 8.145 10.837 418 HG3 LYS 61 HG3 LYS 61 3.942 7.255 9.418 419 HD2 LYS 61 HD2 LYS 61 6.252 7.463 10.110 420 HD3 LYS 61 HD3 LYS 61 5.808 8.549 11.426 421 HE2 LYS 61 HE2 LYS 61 4.664 6.798 12.600 422 HE3 LYS 61 HE3 LYS 61 4.754 5.719 11.208 423 HZ1 LYS 61 HZ1 LYS 61 6.918 6.587 13.015 424 HZ2 LYS 61 HZ2 LYS 61 7.267 6.013 11.455 425 HZ3 LYS 61 HZ3 LYS 61 6.471 5.010 12.571 426 H LEU 62 H LEU 62 2.665 11.794 9.947 427 HA LEU 62 HA LEU 62 0.945 10.814 11.957 428 HB2 LEU 62 HB2 LEU 62 2.341 12.947 11.996 429 HB3 LEU 62 HB3 LEU 62 1.101 13.666 10.977 430 HG LEU 62 HG LEU 62 -0.557 12.824 12.844 431 HD11 LEU 62 HD11 LEU 62 0.527 12.928 15.108 432 HD12 LEU 62 HD12 LEU 62 2.097 12.878 14.314 433 HD13 LEU 62 HD13 LEU 62 0.994 11.511 14.174 434 HD21 LEU 62 HD21 LEU 62 -0.176 14.932 14.126 435 HD22 LEU 62 HD22 LEU 62 -0.188 15.184 12.380 436 HD23 LEU 62 HD23 LEU 62 1.343 15.150 13.255 437 H LEU 63 H LEU 63 0.246 12.729 9.035 438 HA LEU 63 HA LEU 63 -2.534 12.895 9.392 439 HB2 LEU 63 HB2 LEU 63 -1.173 12.764 6.702 440 HB3 LEU 63 HB3 LEU 63 -2.637 13.643 7.142 441 HG LEU 63 HG LEU 63 0.192 14.244 8.049 442 HD11 LEU 63 HD11 LEU 63 -0.525 14.980 5.752 443 HD12 LEU 63 HD12 LEU 63 -0.114 16.313 6.830 444 HD13 LEU 63 HD13 LEU 63 -1.806 15.926 6.512 445 HD21 LEU 63 HD21 LEU 63 -2.485 15.309 8.967 446 HD22 LEU 63 HD22 LEU 63 -1.007 16.256 9.133 447 HD23 LEU 63 HD23 LEU 63 -1.154 14.704 9.952 448 H LYS 64 H LYS 64 -0.537 10.292 8.259 449 HA LYS 64 HA LYS 64 -2.444 8.862 6.750 450 HB2 LYS 64 HB2 LYS 64 0.046 8.420 6.849 451 HB3 LYS 64 HB3 LYS 64 -0.230 7.639 8.406 452 HG2 LYS 64 HG2 LYS 64 -1.831 6.084 7.337 453 HG3 LYS 64 HG3 LYS 64 -1.531 6.856 5.780 454 HD2 LYS 64 HD2 LYS 64 0.812 6.194 5.850 455 HD3 LYS 64 HD3 LYS 64 0.610 5.536 7.475 456 HE2 LYS 64 HE2 LYS 64 -1.011 4.552 5.118 457 HE3 LYS 64 HE3 LYS 64 0.540 3.839 5.561 458 HZ1 LYS 64 HZ1 LYS 64 -0.287 2.998 7.494 459 HZ2 LYS 64 HZ2 LYS 64 -1.689 2.924 6.539 460 HZ3 LYS 64 HZ3 LYS 64 -1.484 4.191 7.649 461 H SER 65 H SER 65 -1.678 8.845 10.209 462 HA SER 65 HA SER 65 -3.424 6.683 10.853 463 HB2 SER 65 HB2 SER 65 -2.133 8.847 12.520 464 HB3 SER 65 HB3 SER 65 -3.150 7.583 13.212 465 HG SER 65 HG SER 65 -0.969 7.008 11.513 466 H VAL 66 H VAL 66 -3.898 10.063 10.303 467 HA VAL 66 HA VAL 66 -6.335 10.306 11.799 468 HB VAL 66 HB VAL 66 -5.321 12.041 9.533 469 HG11 VAL 66 HG11 VAL 66 -7.400 12.384 11.699 470 HG12 VAL 66 HG12 VAL 66 -7.554 12.673 9.966 471 HG13 VAL 66 HG13 VAL 66 -6.617 13.781 10.961 472 HG21 VAL 66 HG21 VAL 66 -4.368 13.423 11.400 473 HG22 VAL 66 HG22 VAL 66 -3.598 11.845 11.232 474 HG23 VAL 66 HG23 VAL 66 -4.776 12.119 12.515 475 H HIS 67 H HIS 67 -5.625 8.562 9.136 476 HA HIS 67 HA HIS 67 -7.022 7.288 7.836 477 HB2 HIS 67 HB2 HIS 67 -8.871 8.052 9.548 478 HB3 HIS 67 HB3 HIS 67 -9.360 9.146 8.258 479 HD1 HIS 67 HD1 HIS 67 -10.443 8.143 6.166 480 HD2 HIS 67 HD2 HIS 67 -9.223 5.262 8.923 481 HE1 HIS 67 HE1 HIS 67 -11.444 5.949 5.398 482 HE2 HIS 67 HE2 HIS 67 -10.716 4.182 7.070 483 H LEU 68 H LEU 68 -5.962 10.320 7.461 484 HA LEU 68 HA LEU 68 -7.003 10.639 4.696 485 HB2 LEU 68 HB2 LEU 68 -5.584 12.728 6.348 486 HB3 LEU 68 HB3 LEU 68 -6.544 12.959 4.888 487 HG LEU 68 HG LEU 68 -7.609 12.010 7.565 488 HD11 LEU 68 HD11 LEU 68 -8.046 14.625 6.093 489 HD12 LEU 68 HD12 LEU 68 -6.946 14.421 7.456 490 HD13 LEU 68 HD13 LEU 68 -8.679 14.193 7.682 491 HD21 LEU 68 HD21 LEU 68 -8.881 12.446 4.858 492 HD22 LEU 68 HD22 LEU 68 -9.831 12.498 6.343 493 HD23 LEU 68 HD23 LEU 68 -8.975 11.024 5.895 494 H VAL 69 H VAL 69 -5.489 11.267 3.069 495 HA VAL 69 HA VAL 69 -3.529 11.168 1.908 496 HB VAL 69 HB VAL 69 -2.049 11.025 4.538 497 HG11 VAL 69 HG11 VAL 69 -0.253 12.010 3.280 498 HG12 VAL 69 HG12 VAL 69 -1.307 12.300 1.895 499 HG13 VAL 69 HG13 VAL 69 -0.860 10.651 2.333 500 HG21 VAL 69 HG21 VAL 69 -3.253 13.404 3.101 501 HG22 VAL 69 HG22 VAL 69 -1.953 13.556 4.282 502 HG23 VAL 69 HG23 VAL 69 -3.519 12.912 4.774 503 H LYS 70 H LYS 70 -2.615 9.509 0.894 504 HA LYS 70 HA LYS 70 -2.004 7.011 2.328 505 HB2 LYS 70 HB2 LYS 70 -4.363 6.888 1.442 506 HB3 LYS 70 HB3 LYS 70 -3.695 7.068 -0.180 507 HG2 LYS 70 HG2 LYS 70 -2.293 5.054 0.195 508 HG3 LYS 70 HG3 LYS 70 -3.021 4.861 1.790 509 HD2 LYS 70 HD2 LYS 70 -5.281 4.806 0.606 510 HD3 LYS 70 HD3 LYS 70 -4.384 4.660 -0.905 511 HE2 LYS 70 HE2 LYS 70 -3.283 2.626 -0.073 512 HE3 LYS 70 HE3 LYS 70 -4.137 2.778 1.462 513 HZ1 LYS 70 HZ1 LYS 70 -6.238 2.680 0.152 514 HZ2 LYS 70 HZ2 LYS 70 -5.330 1.245 0.132 515 HZ3 LYS 70 HZ3 LYS 70 -5.313 2.281 -1.213 516 H ALA 71 H ALA 71 -0.467 5.728 1.288 517 HA ALA 71 HA ALA 71 1.127 7.135 -0.767 518 HB1 ALA 71 HB1 ALA 71 2.927 5.584 -0.038 519 HB2 ALA 71 HB2 ALA 71 1.822 4.905 1.158 520 HB3 ALA 71 HB3 ALA 71 2.321 6.593 1.276 521 H LYS 72 H LYS 72 1.071 6.441 -2.779 522 HA LYS 72 HA LYS 72 0.006 3.768 -3.423 523 HB2 LYS 72 HB2 LYS 72 0.702 6.039 -5.295 524 HB3 LYS 72 HB3 LYS 72 -0.251 4.601 -5.665 525 HG2 LYS 72 HG2 LYS 72 -1.841 5.376 -3.799 526 HG3 LYS 72 HG3 LYS 72 -0.989 6.918 -3.868 527 HD2 LYS 72 HD2 LYS 72 -2.342 5.568 -6.224 528 HD3 LYS 72 HD3 LYS 72 -3.013 6.916 -5.307 529 HE2 LYS 72 HE2 LYS 72 -0.825 8.159 -5.877 530 HE3 LYS 72 HE3 LYS 72 -0.565 6.891 -7.076 531 HZ1 LYS 72 HZ1 LYS 72 -2.954 8.646 -6.899 532 HZ2 LYS 72 HZ2 LYS 72 -2.709 7.422 -8.051 533 HZ3 LYS 72 HZ3 LYS 72 -1.701 8.789 -8.036 534 H ARG 73 H ARG 73 1.298 2.160 -4.073 535 HA ARG 73 HA ARG 73 4.172 2.611 -4.240 536 HB2 ARG 73 HB2 ARG 73 3.085 0.643 -3.052 537 HB3 ARG 73 HB3 ARG 73 2.690 0.012 -4.650 538 HG2 ARG 73 HG2 ARG 73 5.158 0.254 -5.224 539 HG3 ARG 73 HG3 ARG 73 5.439 0.561 -3.510 540 HD2 ARG 73 HD2 ARG 73 4.313 -1.941 -4.783 541 HD3 ARG 73 HD3 ARG 73 5.791 -1.784 -3.838 542 HE ARG 73 HE ARG 73 3.102 -2.036 -2.802 543 HH11 ARG 73 HH21 ARG 73 6.338 -0.942 -2.254 544 HH12 ARG 73 HH22 ARG 73 6.216 -1.011 -0.527 545 HH21 ARG 73 HH11 ARG 73 2.936 -2.138 -0.540 546 HH22 ARG 73 HH12 ARG 73 4.290 -1.692 0.443 547 H GLN 74 H GLN 74 4.825 3.479 -6.129 548 HA GLN 74 HA GLN 74 4.066 2.101 -8.651 549 HB2 GLN 74 HB2 GLN 74 4.402 5.067 -8.142 550 HB3 GLN 74 HB3 GLN 74 4.314 4.343 -9.748 551 HG2 GLN 74 HG2 GLN 74 2.185 3.927 -7.638 552 HG3 GLN 74 HG3 GLN 74 2.108 5.222 -8.832 553 HE21 GLN 74 HE21 GLN 74 0.282 2.866 -8.585 554 HE22 GLN 74 HE22 GLN 74 0.394 2.040 -10.064 555 H GLY 75 H GLY 75 5.993 0.839 -8.327 556 HA2 GLY 75 HA2 GLY 75 8.190 0.347 -8.821 557 HA3 GLY 75 HA3 GLY 75 8.288 1.911 -9.624 558 H GLN 76 H GLN 76 10.508 1.781 -8.608 559 HA GLN 76 HA GLN 76 10.958 1.919 -5.849 560 HB2 GLN 76 HB2 GLN 76 12.515 3.373 -8.001 561 HB3 GLN 76 HB3 GLN 76 13.098 2.917 -6.401 562 HG2 GLN 76 HG2 GLN 76 12.144 0.949 -8.502 563 HG3 GLN 76 HG3 GLN 76 13.835 1.339 -8.200 564 HE21 GLN 76 HE21 GLN 76 11.360 -0.806 -7.327 565 HE22 GLN 76 HE22 GLN 76 12.040 -1.392 -5.887 566 H SER 77 H SER 77 9.406 4.125 -7.917 567 HA SER 77 HA SER 77 9.918 6.475 -6.240 568 HB2 SER 77 HB2 SER 77 9.917 6.853 -8.622 569 HB3 SER 77 HB3 SER 77 8.345 6.072 -8.792 570 HG SER 77 HG SER 77 7.589 7.746 -7.288 571 H MET 78 H MET 78 8.731 6.772 -4.486 572 HA MET 78 HA MET 78 5.959 5.744 -4.349 573 HB2 MET 78 HB2 MET 78 6.216 6.347 -1.903 574 HB3 MET 78 HB3 MET 78 7.261 5.045 -2.471 575 HG2 MET 78 HG2 MET 78 9.152 6.525 -2.627 576 HG3 MET 78 HG3 MET 78 8.137 7.942 -2.355 577 HE1 MET 78 HE1 MET 78 10.583 7.833 -0.793 578 HE2 MET 78 HE2 MET 78 10.763 6.080 -0.838 579 HE3 MET 78 HE3 MET 78 10.664 6.914 0.712 580 H ILE 79 H ILE 79 4.248 7.112 -3.954 581 HA ILE 79 HA ILE 79 4.747 10.012 -3.747 582 HB ILE 79 HB ILE 79 3.020 10.430 -5.487 583 HG12 ILE 79 HG12 ILE 79 3.364 7.467 -6.044 584 HG13 ILE 79 HG13 ILE 79 1.921 8.208 -5.350 585 HG21 ILE 79 HG21 ILE 79 5.498 10.437 -5.949 586 HG22 ILE 79 HG22 ILE 79 4.508 10.066 -7.361 587 HG23 ILE 79 HG23 ILE 79 5.345 8.771 -6.504 588 HD11 ILE 79 HD11 ILE 79 3.084 8.673 -8.106 589 HD12 ILE 79 HD12 ILE 79 1.820 9.685 -7.411 590 HD13 ILE 79 HD13 ILE 79 1.514 7.973 -7.710 591 H TYR 80 H TYR 80 2.805 11.208 -3.153 592 HA TYR 80 HA TYR 80 0.810 9.583 -1.661 593 HB2 TYR 80 HB2 TYR 80 1.910 12.263 -0.793 594 HB3 TYR 80 HB3 TYR 80 0.848 11.188 0.117 595 HD1 TYR 80 HD1 TYR 80 4.272 11.568 -1.274 596 HD2 TYR 80 HD2 TYR 80 1.714 9.327 1.350 597 HE1 TYR 80 HE1 TYR 80 6.254 10.418 -0.324 598 HE2 TYR 80 HE2 TYR 80 3.697 8.185 2.308 599 HH TYR 80 HH TYR 80 6.921 8.658 0.944 600 H SER 81 H SER 81 -1.248 10.525 -1.473 601 HA SER 81 HA SER 81 -1.965 13.022 -2.431 602 HB2 SER 81 HB2 SER 81 -2.915 12.705 -4.570 603 HB3 SER 81 HB3 SER 81 -1.362 11.880 -4.662 604 HG SER 81 HG SER 81 -3.852 10.663 -4.060 605 H LEU 82 H LEU 82 -3.496 13.239 -0.875 606 HA LEU 82 HA LEU 82 -5.273 11.211 -0.080 607 HB2 LEU 82 HB2 LEU 82 -6.622 13.207 0.850 608 HB3 LEU 82 HB3 LEU 82 -5.015 12.930 1.488 609 HG LEU 82 HG LEU 82 -5.145 14.719 -0.912 610 HD11 LEU 82 HD11 LEU 82 -7.128 15.454 0.390 611 HD12 LEU 82 HD12 LEU 82 -5.856 16.675 0.327 612 HD13 LEU 82 HD13 LEU 82 -6.083 15.712 1.787 613 HD21 LEU 82 HD21 LEU 82 -3.775 15.317 1.703 614 HD22 LEU 82 HD22 LEU 82 -3.304 15.763 0.064 615 HD23 LEU 82 HD23 LEU 82 -3.108 14.103 0.621 616 H ASP 83 H ASP 83 -7.082 13.988 -0.798 617 HA ASP 83 HA ASP 83 -9.009 14.229 -2.042 618 HB2 ASP 83 HB2 ASP 83 -7.314 14.900 -3.662 619 HB3 ASP 83 HB3 ASP 83 -7.075 13.220 -4.142 620 H ASP 84 H ASP 84 -10.320 12.643 -1.088 621 HA ASP 84 HA ASP 84 -10.506 10.021 -2.457 622 HB2 ASP 84 HB2 ASP 84 -11.850 10.934 0.095 623 HB3 ASP 84 HB3 ASP 84 -11.783 9.293 -0.546 624 H ILE 85 H ILE 85 -11.482 12.837 -3.243 625 HA ILE 85 HA ILE 85 -13.269 13.723 -4.368 626 HB ILE 85 HB ILE 85 -14.622 11.030 -4.247 627 HG12 ILE 85 HG12 ILE 85 -12.403 10.507 -5.024 628 HG13 ILE 85 HG13 ILE 85 -13.441 10.585 -6.443 629 HG21 ILE 85 HG21 ILE 85 -15.743 13.151 -5.173 630 HG22 ILE 85 HG22 ILE 85 -15.711 11.744 -6.234 631 HG23 ILE 85 HG23 ILE 85 -14.569 13.065 -6.483 632 HD11 ILE 85 HD11 ILE 85 -12.714 13.037 -6.650 633 HD12 ILE 85 HD12 ILE 85 -11.498 11.819 -7.035 634 HD13 ILE 85 HD13 ILE 85 -11.455 12.646 -5.479 635 H HIS 86 H HIS 86 -13.108 14.065 -1.677 636 HA HIS 86 HA HIS 86 -15.835 14.647 -0.979 637 HB2 HIS 86 HB2 HIS 86 -14.324 12.473 0.482 638 HB3 HIS 86 HB3 HIS 86 -15.633 13.373 1.244 639 HD1 HIS 86 HD1 HIS 86 -15.245 10.279 -0.259 640 HD2 HIS 86 HD2 HIS 86 -17.935 13.383 -0.973 641 HE1 HIS 86 HE1 HIS 86 -17.228 9.247 -1.446 642 HE2 HIS 86 HE2 HIS 86 -18.882 11.124 -1.881 643 H VAL 87 H VAL 87 -12.435 14.672 -0.410 644 HA VAL 87 HA VAL 87 -12.578 16.586 1.802 645 HB VAL 87 HB VAL 87 -10.200 15.482 0.281 646 HG11 VAL 87 HG11 VAL 87 -9.004 16.332 2.372 647 HG12 VAL 87 HG12 VAL 87 -10.477 17.230 2.735 648 HG13 VAL 87 HG13 VAL 87 -9.577 17.574 1.259 649 HG21 VAL 87 HG21 VAL 87 -11.459 14.743 2.940 650 HG22 VAL 87 HG22 VAL 87 -9.883 14.167 2.396 651 HG23 VAL 87 HG23 VAL 87 -11.339 13.720 1.508 652 H ALA 88 H ALA 88 -11.803 16.462 -1.637 653 HA ALA 88 HA ALA 88 -10.855 19.137 -1.862 654 HB1 ALA 88 HB1 ALA 88 -12.142 17.435 -4.010 655 HB2 ALA 88 HB2 ALA 88 -10.445 17.322 -3.542 656 HB3 ALA 88 HB3 ALA 88 -11.067 18.813 -4.250 657 H THR 89 H THR 89 -14.027 17.618 -2.317 658 HA THR 89 HA THR 89 -15.418 19.874 -3.255 659 HB THR 89 HB THR 89 -17.436 18.686 -2.245 660 HG1 THR 89 HG1 THR 89 -16.654 17.505 -0.628 661 HG21 THR 89 HG21 THR 89 -15.504 17.257 -4.086 662 HG22 THR 89 HG22 THR 89 -16.866 18.279 -4.544 663 HG23 THR 89 HG23 THR 89 -17.155 16.703 -3.806 664 H MET 90 H MET 90 -15.333 18.554 0.067 665 HA MET 90 HA MET 90 -16.681 20.535 1.411 666 HB2 MET 90 HB2 MET 90 -15.667 18.411 2.375 667 HB3 MET 90 HB3 MET 90 -14.138 19.286 2.464 668 HG2 MET 90 HG2 MET 90 -15.266 21.044 3.828 669 HG3 MET 90 HG3 MET 90 -16.743 20.079 3.802 670 HE1 MET 90 HE1 MET 90 -14.724 21.251 6.114 671 HE2 MET 90 HE2 MET 90 -14.820 20.014 7.367 672 HE3 MET 90 HE3 MET 90 -16.289 20.577 6.572 673 H LEU 91 H LEU 91 -13.265 20.506 0.466 674 HA LEU 91 HA LEU 91 -12.556 22.977 1.644 675 HB2 LEU 91 HB2 LEU 91 -10.989 21.180 0.751 676 HB3 LEU 91 HB3 LEU 91 -11.375 21.767 -0.860 677 HG LEU 91 HG LEU 91 -10.689 24.116 0.102 678 HD11 LEU 91 HD11 LEU 91 -10.448 23.543 2.442 679 HD12 LEU 91 HD12 LEU 91 -8.844 23.874 1.799 680 HD13 LEU 91 HD13 LEU 91 -9.359 22.211 2.054 681 HD21 LEU 91 HD21 LEU 91 -8.258 23.577 -0.394 682 HD22 LEU 91 HD22 LEU 91 -9.403 23.098 -1.646 683 HD23 LEU 91 HD23 LEU 91 -8.745 21.889 -0.545 684 H LYS 92 H LYS 92 -13.958 22.103 -1.461 685 HA LYS 92 HA LYS 92 -13.707 24.678 -2.663 686 HB2 LYS 92 HB2 LYS 92 -14.116 22.435 -3.825 687 HB3 LYS 92 HB3 LYS 92 -15.800 22.610 -3.337 688 HG2 LYS 92 HG2 LYS 92 -15.819 24.862 -4.457 689 HG3 LYS 92 HG3 LYS 92 -14.202 24.526 -5.064 690 HD2 LYS 92 HD2 LYS 92 -16.484 22.609 -5.571 691 HD3 LYS 92 HD3 LYS 92 -16.227 24.008 -6.607 692 HE2 LYS 92 HE2 LYS 92 -14.226 21.794 -6.064 693 HE3 LYS 92 HE3 LYS 92 -15.101 22.072 -7.566 694 HZ1 LYS 92 HZ1 LYS 92 -13.055 23.819 -6.326 695 HZ2 LYS 92 HZ2 LYS 92 -14.042 24.313 -7.616 696 HZ3 LYS 92 HZ3 LYS 92 -12.966 23.015 -7.819 697 H GLN 93 H GLN 93 -16.649 22.985 -1.535 698 HA GLN 93 HA GLN 93 -18.472 24.990 -1.634 699 HB2 GLN 93 HB2 GLN 93 -18.081 22.835 0.440 700 HB3 GLN 93 HB3 GLN 93 -19.462 23.928 0.496 701 HG2 GLN 93 HG2 GLN 93 -19.921 21.774 -0.712 702 HG3 GLN 93 HG3 GLN 93 -20.206 23.215 -1.685 703 HE21 GLN 93 HE21 GLN 93 -18.635 23.712 -3.398 704 HE22 GLN 93 HE22 GLN 93 -17.564 22.523 -3.964 705 H ALA 94 H ALA 94 -15.675 24.934 0.361 706 HA ALA 94 HA ALA 94 -16.636 26.777 2.354 707 HB1 ALA 94 HB1 ALA 94 -14.726 25.132 2.661 708 HB2 ALA 94 HB2 ALA 94 -14.392 26.784 3.176 709 HB3 ALA 94 HB3 ALA 94 -13.757 26.196 1.641 710 H ILE 95 H ILE 95 -14.371 27.040 -0.390 711 HA ILE 95 HA ILE 95 -13.861 29.771 -0.248 712 HB ILE 95 HB ILE 95 -14.192 28.245 -2.833 713 HG12 ILE 95 HG12 ILE 95 -12.878 26.821 -1.396 714 HG13 ILE 95 HG13 ILE 95 -11.767 27.631 -2.497 715 HG21 ILE 95 HG21 ILE 95 -12.391 29.737 -3.581 716 HG22 ILE 95 HG22 ILE 95 -12.317 30.470 -1.979 717 HG23 ILE 95 HG23 ILE 95 -13.756 30.679 -2.977 718 HD11 ILE 95 HD11 ILE 95 -10.730 27.847 -0.387 719 HD12 ILE 95 HD12 ILE 95 -12.256 28.191 0.427 720 HD13 ILE 95 HD13 ILE 95 -11.521 29.406 -0.620 721 H HIS 96 H HIS 96 -16.751 28.120 -1.164 722 HA HIS 96 HA HIS 96 -17.883 30.274 -2.701 723 HB2 HIS 96 HB2 HIS 96 -19.043 27.772 -1.465 724 HB3 HIS 96 HB3 HIS 96 -20.036 28.949 -2.323 725 HD1 HIS 96 HD1 HIS 96 -18.974 25.876 -3.124 726 HD2 HIS 96 HD2 HIS 96 -18.080 29.534 -4.910 727 HE1 HIS 96 HE1 HIS 96 -18.213 25.354 -5.478 728 HE2 HIS 96 HE2 HIS 96 -17.663 27.573 -6.582 729 H HIS 97 H HIS 97 -18.440 29.011 0.593 730 HA HIS 97 HA HIS 97 -20.323 30.978 1.341 731 HB2 HIS 97 HB2 HIS 97 -19.875 28.822 2.565 732 HB3 HIS 97 HB3 HIS 97 -18.398 29.556 3.191 733 HD1 HIS 97 HD1 HIS 97 -22.053 30.654 2.914 734 HD2 HIS 97 HD2 HIS 97 -18.896 30.727 5.635 735 HE1 HIS 97 HE1 HIS 97 -22.924 31.816 4.987 736 HE2 HIS 97 HE2 HIS 97 -21.011 31.878 6.654 737 H ALA 98 H ALA 98 -16.813 30.917 1.365 738 HA ALA 98 HA ALA 98 -16.301 33.151 2.986 739 HB1 ALA 98 HB1 ALA 98 -14.157 33.281 1.856 740 HB2 ALA 98 HB2 ALA 98 -14.767 32.315 0.511 741 HB3 ALA 98 HB3 ALA 98 -14.565 31.582 2.104 742 H ASN 99 H ASN 99 -16.476 33.020 -0.576 743 HA ASN 99 HA ASN 99 -16.916 35.919 -0.706 744 HB2 ASN 99 HB2 ASN 99 -16.668 33.876 -2.926 745 HB3 ASN 99 HB3 ASN 99 -16.661 35.629 -3.110 746 HD21 ASN 99 HD21 ASN 99 -14.445 33.983 -3.951 747 HD22 ASN 99 HD22 ASN 99 -13.115 34.357 -2.965 748 H HIS 100 H HIS 100 -19.007 36.265 -0.007 749 HA HIS 100 HA HIS 100 -21.101 35.586 -1.879 750 HB2 HIS 100 HB2 HIS 100 -20.888 33.584 -0.303 751 HB3 HIS 100 HB3 HIS 100 -21.450 34.659 0.976 752 HD1 HIS 100 HD1 HIS 100 -23.282 32.372 0.355 753 HD2 HIS 100 HD2 HIS 100 -23.494 35.974 -1.734 754 HE1 HIS 100 HE1 HIS 100 -25.598 32.476 -0.658 755 HE2 HIS 100 HE2 HIS 100 -25.747 34.667 -1.932 756 HA PRO 101 HA PRO 101 -21.593 39.461 0.727 757 HB2 PRO 101 HB2 PRO 101 -20.956 41.342 -1.130 758 HB3 PRO 101 HB3 PRO 101 -19.710 40.509 -0.181 759 HG2 PRO 101 HG2 PRO 101 -20.656 39.934 -2.967 760 HG3 PRO 101 HG3 PRO 101 -18.998 40.056 -2.356 761 HD2 PRO 101 HD2 PRO 101 -20.268 37.649 -2.705 762 HD3 PRO 101 HD3 PRO 101 -19.043 37.908 -1.445 763 H LYS 102 H LYS 102 -22.365 39.025 -2.726 764 HA LYS 102 HA LYS 102 -25.186 39.285 -2.240 765 HB2 LYS 102 HB2 LYS 102 -25.515 41.276 -3.671 766 HB3 LYS 102 HB3 LYS 102 -24.611 41.657 -2.206 767 HG2 LYS 102 HG2 LYS 102 -22.493 41.261 -3.625 768 HG3 LYS 102 HG3 LYS 102 -23.562 41.341 -5.024 769 HD2 LYS 102 HD2 LYS 102 -23.324 43.498 -2.901 770 HD3 LYS 102 HD3 LYS 102 -22.520 43.544 -4.468 771 HE2 LYS 102 HE2 LYS 102 -25.495 43.603 -3.916 772 HE3 LYS 102 HE3 LYS 102 -24.518 44.841 -4.700 773 HZ1 LYS 102 HZ1 LYS 102 -25.658 43.652 -6.383 774 HZ2 LYS 102 HZ2 LYS 102 -25.185 42.149 -5.748 775 HZ3 LYS 102 HZ3 LYS 102 -24.030 43.173 -6.459 776 H GLU 103 H GLU 103 -26.294 39.566 -4.557 777 HA GLU 103 HA GLU 103 -24.856 38.448 -6.773 778 HB2 GLU 103 HB2 GLU 103 -26.300 36.360 -6.867 779 HB3 GLU 103 HB3 GLU 103 -25.049 36.365 -5.625 780 HG2 GLU 103 HG2 GLU 103 -27.867 37.293 -5.051 781 HG3 GLU 103 HG3 GLU 103 -27.398 35.602 -4.905 782 H ASN 9 H ASN 9 -6.527 38.729 -0.882 783 HA ASN 9 HA ASN 9 -5.797 36.720 -1.469 784 HB2 ASN 9 HB2 ASN 9 -3.522 36.308 -2.234 785 HB3 ASN 9 HB3 ASN 9 -4.100 37.817 -2.939 786 HD21 ASN 9 HD21 ASN 9 -1.429 36.494 -1.440 787 HD22 ASN 9 HD22 ASN 9 -0.754 37.910 -0.791 788 H THR 10 H THR 10 -3.857 38.522 0.858 789 HA THR 10 HA THR 10 -3.190 36.139 2.400 790 HB THR 10 HB THR 10 -1.543 37.936 2.232 791 HG1 THR 10 HG1 THR 10 -2.104 36.704 4.295 792 HG21 THR 10 HG21 THR 10 -1.982 40.137 3.207 793 HG22 THR 10 HG22 THR 10 -3.610 39.632 3.664 794 HG23 THR 10 HG23 THR 10 -3.182 39.792 1.961 795 H ASP 11 H ASP 11 -5.612 38.607 2.326 796 HA ASP 11 HA ASP 11 -6.481 38.213 5.070 797 HB2 ASP 11 HB2 ASP 11 -7.814 39.673 2.776 798 HB3 ASP 11 HB3 ASP 11 -8.287 39.756 4.472 799 H THR 12 H THR 12 -7.719 37.472 1.815 800 HA THR 12 HA THR 12 -10.060 36.137 2.603 801 HB THR 12 HB THR 12 -9.856 35.005 0.350 802 HG1 THR 12 HG1 THR 12 -7.756 36.695 -0.259 803 HG21 THR 12 HG21 THR 12 -10.949 37.217 0.681 804 HG22 THR 12 HG22 THR 12 -10.171 37.087 -0.897 805 HG23 THR 12 HG23 THR 12 -9.395 38.002 0.395 806 H LEU 13 H LEU 13 -6.727 35.100 2.478 807 HA LEU 13 HA LEU 13 -7.169 32.309 2.567 808 HB2 LEU 13 HB2 LEU 13 -4.993 33.719 2.128 809 HB3 LEU 13 HB3 LEU 13 -4.785 33.612 3.867 810 HG LEU 13 HG LEU 13 -3.570 31.801 2.876 811 HD11 LEU 13 HD11 LEU 13 -4.991 31.391 4.949 812 HD12 LEU 13 HD12 LEU 13 -4.477 29.959 4.061 813 HD13 LEU 13 HD13 LEU 13 -6.125 30.556 3.886 814 HD21 LEU 13 HD21 LEU 13 -5.991 30.545 1.627 815 HD22 LEU 13 HD22 LEU 13 -4.291 30.396 1.205 816 HD23 LEU 13 HD23 LEU 13 -5.180 31.846 0.759 817 H GLU 14 H GLU 14 -6.004 34.384 5.236 818 HA GLU 14 HA GLU 14 -6.233 32.673 7.318 819 HB2 GLU 14 HB2 GLU 14 -7.020 35.596 7.341 820 HB3 GLU 14 HB3 GLU 14 -6.630 34.632 8.766 821 HG2 GLU 14 HG2 GLU 14 -4.740 35.036 6.433 822 HG3 GLU 14 HG3 GLU 14 -4.702 36.005 7.905 823 H ARG 15 H ARG 15 -8.896 34.067 5.552 824 HA ARG 15 HA ARG 15 -10.876 33.617 7.571 825 HB2 ARG 15 HB2 ARG 15 -11.048 34.123 4.599 826 HB3 ARG 15 HB3 ARG 15 -12.472 33.891 5.612 827 HG2 ARG 15 HG2 ARG 15 -11.680 35.763 7.072 828 HG3 ARG 15 HG3 ARG 15 -10.355 36.039 5.942 829 HD2 ARG 15 HD2 ARG 15 -12.134 36.268 4.124 830 HD3 ARG 15 HD3 ARG 15 -13.321 36.319 5.424 831 HE ARG 15 HE ARG 15 -11.490 38.426 4.684 832 HH11 ARG 15 HH21 ARG 15 -13.377 36.987 7.204 833 HH12 ARG 15 HH22 ARG 15 -13.528 38.452 8.116 834 HH21 ARG 15 HH11 ARG 15 -11.680 40.348 5.877 835 HH22 ARG 15 HH12 ARG 15 -12.559 40.354 7.370 836 H VAL 16 H VAL 16 -9.637 31.761 4.836 837 HA VAL 16 HA VAL 16 -11.601 29.723 4.872 838 HB VAL 16 HB VAL 16 -8.704 29.464 4.034 839 HG11 VAL 16 HG11 VAL 16 -11.234 27.948 3.328 840 HG12 VAL 16 HG12 VAL 16 -9.840 27.323 4.210 841 HG13 VAL 16 HG13 VAL 16 -9.690 27.738 2.502 842 HG21 VAL 16 HG21 VAL 16 -9.744 29.937 1.732 843 HG22 VAL 16 HG22 VAL 16 -9.569 31.317 2.813 844 HG23 VAL 16 HG23 VAL 16 -11.144 30.549 2.613 845 H THR 17 H THR 17 -8.869 30.394 6.885 846 HA THR 17 HA THR 17 -8.859 27.718 8.093 847 HB THR 17 HB THR 17 -7.233 30.161 8.830 848 HG1 THR 17 HG1 THR 17 -5.651 28.683 7.631 849 HG21 THR 17 HG21 THR 17 -7.283 28.496 10.589 850 HG22 THR 17 HG22 THR 17 -5.722 28.384 9.773 851 HG23 THR 17 HG23 THR 17 -6.985 27.201 9.430 852 H GLU 18 H GLU 18 -9.697 31.064 8.863 853 HA GLU 18 HA GLU 18 -10.166 30.733 11.604 854 HB2 GLU 18 HB2 GLU 18 -9.934 32.924 10.507 855 HB3 GLU 18 HB3 GLU 18 -11.477 32.678 9.690 856 HG2 GLU 18 HG2 GLU 18 -12.691 32.749 11.731 857 HG3 GLU 18 HG3 GLU 18 -11.233 32.548 12.700 858 H ILE 19 H ILE 19 -11.957 29.511 8.986 859 HA ILE 19 HA ILE 19 -14.542 29.565 10.323 860 HB ILE 19 HB ILE 19 -15.148 27.999 8.364 861 HG12 ILE 19 HG12 ILE 19 -12.518 29.029 7.295 862 HG13 ILE 19 HG13 ILE 19 -12.675 27.423 8.009 863 HG21 ILE 19 HG21 ILE 19 -15.170 29.903 6.769 864 HG22 ILE 19 HG22 ILE 19 -14.077 30.788 7.835 865 HG23 ILE 19 HG23 ILE 19 -15.706 30.387 8.379 866 HD11 ILE 19 HD11 ILE 19 -14.413 26.847 6.371 867 HD12 ILE 19 HD12 ILE 19 -12.943 27.356 5.543 868 HD13 ILE 19 HD13 ILE 19 -14.309 28.463 5.673 869 H PHE 20 H PHE 20 -11.897 27.267 9.872 870 HA PHE 20 HA PHE 20 -13.390 25.044 10.931 871 HB2 PHE 20 HB2 PHE 20 -10.383 25.191 10.852 872 HB3 PHE 20 HB3 PHE 20 -11.421 23.779 10.701 873 HD1 PHE 20 HD2 PHE 20 -13.386 24.451 8.691 874 HD2 PHE 20 HD1 PHE 20 -9.215 25.485 8.843 875 HE1 PHE 20 HE2 PHE 20 -13.339 24.638 6.226 876 HE2 PHE 20 HE1 PHE 20 -9.165 25.627 6.371 877 HZ PHE 20 HZ PHE 20 -11.227 25.212 5.061 878 H LYS 21 H LYS 21 -10.464 26.627 12.223 879 HA LYS 21 HA LYS 21 -10.549 25.513 14.741 880 HB2 LYS 21 HB2 LYS 21 -9.113 27.310 15.473 881 HB3 LYS 21 HB3 LYS 21 -8.678 26.877 13.821 882 HG2 LYS 21 HG2 LYS 21 -10.299 28.757 13.100 883 HG3 LYS 21 HG3 LYS 21 -10.233 29.284 14.781 884 HD2 LYS 21 HD2 LYS 21 -7.902 29.020 12.861 885 HD3 LYS 21 HD3 LYS 21 -8.555 30.512 13.536 886 HE2 LYS 21 HE2 LYS 21 -8.004 29.525 15.841 887 HE3 LYS 21 HE3 LYS 21 -7.055 28.318 14.975 888 HZ1 LYS 21 HZ1 LYS 21 -6.115 30.697 15.754 889 HZ2 LYS 21 HZ2 LYS 21 -6.586 31.052 14.162 890 HZ3 LYS 21 HZ3 LYS 21 -5.478 29.799 14.462 891 H ALA 22 H ALA 22 -12.228 28.425 13.609 892 HA ALA 22 HA ALA 22 -13.143 29.453 16.001 893 HB1 ALA 22 HB1 ALA 22 -13.635 30.672 14.032 894 HB2 ALA 22 HB2 ALA 22 -15.204 30.145 14.641 895 HB3 ALA 22 HB3 ALA 22 -14.453 29.299 13.288 896 H LEU 23 H LEU 23 -13.921 26.449 14.545 897 HA LEU 23 HA LEU 23 -16.260 26.033 16.323 898 HB2 LEU 23 HB2 LEU 23 -15.377 24.268 14.039 899 HB3 LEU 23 HB3 LEU 23 -16.942 24.307 14.846 900 HG LEU 23 HG LEU 23 -15.784 26.571 13.191 901 HD11 LEU 23 HD11 LEU 23 -17.958 24.544 12.590 902 HD12 LEU 23 HD12 LEU 23 -16.388 24.656 11.794 903 HD13 LEU 23 HD13 LEU 23 -17.576 25.942 11.584 904 HD21 LEU 23 HD21 LEU 23 -18.239 27.334 13.363 905 HD22 LEU 23 HD22 LEU 23 -17.248 27.521 14.807 906 HD23 LEU 23 HD23 LEU 23 -18.383 26.176 14.686 907 H GLY 24 H GLY 24 -13.909 26.014 17.681 908 HA2 GLY 24 HA2 GLY 24 -12.706 23.404 17.759 909 HA3 GLY 24 HA3 GLY 24 -12.423 24.718 18.894 910 H ASP 25 H ASP 25 -14.289 25.165 20.421 911 HA ASP 25 HA ASP 25 -14.745 23.094 22.127 912 HB2 ASP 25 HB2 ASP 25 -15.289 25.516 22.523 913 HB3 ASP 25 HB3 ASP 25 -16.773 25.272 21.605 914 H TYR 26 H TYR 26 -15.973 21.327 22.221 915 HA TYR 26 HA TYR 26 -17.388 20.390 19.958 916 HB2 TYR 26 HB2 TYR 26 -17.733 19.346 22.768 917 HB3 TYR 26 HB3 TYR 26 -17.849 18.457 21.248 918 HD1 TYR 26 HD2 TYR 26 -15.783 18.083 19.864 919 HD2 TYR 26 HD1 TYR 26 -15.625 19.723 23.832 920 HE1 TYR 26 HE2 TYR 26 -13.362 17.559 19.985 921 HE2 TYR 26 HE1 TYR 26 -13.203 19.202 23.951 922 HH TYR 26 HH TYR 26 -11.643 17.440 22.766 923 H ASN 27 H ASN 27 -18.292 22.588 22.353 924 HA ASN 27 HA ASN 27 -21.018 21.920 22.719 925 HB2 ASN 27 HB2 ASN 27 -19.768 23.443 24.209 926 HB3 ASN 27 HB3 ASN 27 -19.685 24.631 22.911 927 HD21 ASN 27 HD21 ASN 27 -21.633 23.475 25.505 928 HD22 ASN 27 HD22 ASN 27 -23.030 24.373 25.147 929 H ARG 28 H ARG 28 -19.401 24.126 20.444 930 HA ARG 28 HA ARG 28 -21.850 25.041 19.276 931 HB2 ARG 28 HB2 ARG 28 -18.942 25.257 18.506 932 HB3 ARG 28 HB3 ARG 28 -20.211 25.851 17.437 933 HG2 ARG 28 HG2 ARG 28 -19.366 27.651 18.894 934 HG3 ARG 28 HG3 ARG 28 -21.060 27.304 19.229 935 HD2 ARG 28 HD2 ARG 28 -20.551 26.161 21.233 936 HD3 ARG 28 HD3 ARG 28 -18.856 25.970 20.797 937 HE ARG 28 HE ARG 28 -19.722 28.725 21.085 938 HH11 ARG 28 HH21 ARG 28 -18.379 25.898 22.563 939 HH12 ARG 28 HH22 ARG 28 -17.677 26.759 23.892 940 HH21 ARG 28 HH11 ARG 28 -18.792 29.860 22.817 941 HH22 ARG 28 HH12 ARG 28 -17.908 29.002 24.034 942 H ILE 29 H ILE 29 -19.725 22.337 18.723 943 HA ILE 29 HA ILE 29 -20.521 21.774 16.054 944 HB ILE 29 HB ILE 29 -19.543 19.802 18.127 945 HG12 ILE 29 HG12 ILE 29 -17.981 21.645 18.073 946 HG13 ILE 29 HG13 ILE 29 -17.279 20.305 17.172 947 HG21 ILE 29 HG21 ILE 29 -20.440 18.811 16.058 948 HG22 ILE 29 HG22 ILE 29 -18.694 18.595 16.155 949 HG23 ILE 29 HG23 ILE 29 -19.371 19.836 15.101 950 HD11 ILE 29 HD11 ILE 29 -18.449 22.875 16.130 951 HD12 ILE 29 HD12 ILE 29 -18.362 21.456 15.088 952 HD13 ILE 29 HD13 ILE 29 -16.888 22.142 15.767 953 H ARG 30 H ARG 30 -21.779 20.722 19.216 954 HA ARG 30 HA ARG 30 -23.643 18.868 18.102 955 HB2 ARG 30 HB2 ARG 30 -23.501 20.244 20.793 956 HB3 ARG 30 HB3 ARG 30 -24.685 19.005 20.397 957 HG2 ARG 30 HG2 ARG 30 -21.752 18.439 19.957 958 HG3 ARG 30 HG3 ARG 30 -22.415 18.337 21.582 959 HD2 ARG 30 HD2 ARG 30 -23.431 16.807 19.170 960 HD3 ARG 30 HD3 ARG 30 -22.471 16.145 20.489 961 HE ARG 30 HE ARG 30 -24.923 17.415 21.355 962 HH11 ARG 30 HH21 ARG 30 -23.433 14.535 20.145 963 HH12 ARG 30 HH22 ARG 30 -24.565 13.467 20.905 964 HH21 ARG 30 HH11 ARG 30 -26.407 16.020 22.357 965 HH22 ARG 30 HH12 ARG 30 -26.250 14.307 22.153 966 H ILE 31 H ILE 31 -23.732 22.290 18.887 967 HA ILE 31 HA ILE 31 -26.573 22.566 18.653 968 HB ILE 31 HB ILE 31 -24.342 24.609 18.504 969 HG12 ILE 31 HG12 ILE 31 -26.309 24.033 20.732 970 HG13 ILE 31 HG13 ILE 31 -24.706 23.301 20.657 971 HG21 ILE 31 HG21 ILE 31 -26.263 26.201 19.035 972 HG22 ILE 31 HG22 ILE 31 -27.356 24.892 18.583 973 HG23 ILE 31 HG23 ILE 31 -26.240 25.561 17.392 974 HD11 ILE 31 HD11 ILE 31 -24.779 25.377 22.060 975 HD12 ILE 31 HD12 ILE 31 -25.219 26.289 20.616 976 HD13 ILE 31 HD13 ILE 31 -23.650 25.490 20.712 977 H MET 32 H MET 32 -23.890 23.587 16.519 978 HA MET 32 HA MET 32 -25.353 24.481 14.360 979 HB2 MET 32 HB2 MET 32 -22.731 22.973 14.403 980 HB3 MET 32 HB3 MET 32 -23.383 23.760 12.966 981 HG2 MET 32 HG2 MET 32 -23.238 25.920 13.957 982 HG3 MET 32 HG3 MET 32 -22.998 25.248 15.571 983 HE1 MET 32 HE1 MET 32 -21.520 26.688 12.514 984 HE2 MET 32 HE2 MET 32 -21.538 25.025 11.928 985 HE3 MET 32 HE3 MET 32 -20.001 25.846 12.199 986 H GLU 33 H GLU 33 -24.503 21.160 15.212 987 HA GLU 33 HA GLU 33 -25.450 19.920 12.852 988 HB2 GLU 33 HB2 GLU 33 -23.976 18.873 14.614 989 HB3 GLU 33 HB3 GLU 33 -25.412 18.713 15.625 990 HG2 GLU 33 HG2 GLU 33 -26.505 17.370 13.876 991 HG3 GLU 33 HG3 GLU 33 -25.089 17.550 12.842 992 H LEU 34 H LEU 34 -27.044 20.996 15.782 993 HA LEU 34 HA LEU 34 -29.491 19.596 15.338 994 HB2 LEU 34 HB2 LEU 34 -28.526 20.718 17.503 995 HB3 LEU 34 HB3 LEU 34 -29.306 22.167 16.894 996 HG LEU 34 HG LEU 34 -30.827 21.072 18.396 997 HD11 LEU 34 HD11 LEU 34 -31.829 20.369 15.642 998 HD12 LEU 34 HD12 LEU 34 -31.658 22.041 16.182 999 HD13 LEU 34 HD13 LEU 34 -32.749 20.947 17.029 1000 HD21 LEU 34 HD21 LEU 34 -31.026 18.576 16.743 1001 HD22 LEU 34 HD22 LEU 34 -31.338 18.831 18.453 1002 HD23 LEU 34 HD23 LEU 34 -29.683 18.725 17.873 1003 H LEU 35 H LEU 35 -28.638 23.050 14.962 1004 HA LEU 35 HA LEU 35 -31.002 23.845 13.694 1005 HB2 LEU 35 HB2 LEU 35 -28.181 24.905 13.646 1006 HB3 LEU 35 HB3 LEU 35 -29.437 25.659 12.666 1007 HG LEU 35 HG LEU 35 -30.814 25.980 14.697 1008 HD11 LEU 35 HD11 LEU 35 -28.435 24.647 15.999 1009 HD12 LEU 35 HD12 LEU 35 -30.141 24.221 16.135 1010 HD13 LEU 35 HD13 LEU 35 -29.534 25.680 16.912 1011 HD21 LEU 35 HD21 LEU 35 -29.423 27.746 15.702 1012 HD22 LEU 35 HD22 LEU 35 -29.266 27.754 13.946 1013 HD23 LEU 35 HD23 LEU 35 -27.988 27.057 14.942 1014 H SER 36 H SER 36 -28.484 21.839 12.528 1015 HA SER 36 HA SER 36 -28.753 22.413 9.738 1016 HB2 SER 36 HB2 SER 36 -27.862 19.792 10.951 1017 HB3 SER 36 HB3 SER 36 -27.452 20.444 9.366 1018 HG SER 36 HG SER 36 -26.183 21.956 10.299 1019 H VAL 37 H VAL 37 -30.203 20.047 11.942 1020 HA VAL 37 HA VAL 37 -31.781 18.802 9.876 1021 HB VAL 37 HB VAL 37 -32.191 18.632 12.867 1022 HG11 VAL 37 HG11 VAL 37 -33.971 17.721 11.366 1023 HG12 VAL 37 HG12 VAL 37 -33.177 16.468 12.319 1024 HG13 VAL 37 HG13 VAL 37 -32.763 16.677 10.618 1025 HG21 VAL 37 HG21 VAL 37 -30.681 16.681 12.786 1026 HG22 VAL 37 HG22 VAL 37 -29.834 18.147 12.293 1027 HG23 VAL 37 HG23 VAL 37 -30.371 16.988 11.077 1028 H SER 38 H SER 38 -32.335 21.185 12.435 1029 HA SER 38 HA SER 38 -34.525 22.355 10.994 1030 HB2 SER 38 HB2 SER 38 -35.717 20.448 11.968 1031 HB3 SER 38 HB3 SER 38 -35.123 20.879 13.572 1032 HG SER 38 HG SER 38 -37.276 21.775 12.348 1033 H GLU 39 H GLU 39 -34.754 24.455 11.565 1034 HA GLU 39 HA GLU 39 -32.873 25.749 13.154 1035 HB2 GLU 39 HB2 GLU 39 -35.643 26.872 12.779 1036 HB3 GLU 39 HB3 GLU 39 -34.097 27.718 12.795 1037 HG2 GLU 39 HG2 GLU 39 -35.203 25.923 10.624 1038 HG3 GLU 39 HG3 GLU 39 -34.812 27.636 10.513 1039 H ALA 40 H ALA 40 -33.457 27.145 15.120 1040 HA ALA 40 HA ALA 40 -35.443 26.022 16.920 1041 HB1 ALA 40 HB1 ALA 40 -33.897 25.304 18.625 1042 HB2 ALA 40 HB2 ALA 40 -32.517 25.859 17.677 1043 HB3 ALA 40 HB3 ALA 40 -33.469 24.480 17.125 1044 H SER 41 H SER 41 -35.864 27.331 18.700 1045 HA SER 41 HA SER 41 -35.056 30.101 18.413 1046 HB2 SER 41 HB2 SER 41 -36.801 28.759 20.496 1047 HB3 SER 41 HB3 SER 41 -36.618 30.498 20.267 1048 HG SER 41 HG SER 41 -37.573 30.331 18.279 1049 H VAL 42 H VAL 42 -34.314 31.331 20.357 1050 HA VAL 42 HA VAL 42 -31.866 30.415 21.283 1051 HB VAL 42 HB VAL 42 -32.544 32.773 21.351 1052 HG11 VAL 42 HG11 VAL 42 -34.912 32.141 22.227 1053 HG12 VAL 42 HG12 VAL 42 -34.170 33.625 22.816 1054 HG13 VAL 42 HG13 VAL 42 -34.167 32.182 23.825 1055 HG21 VAL 42 HG21 VAL 42 -31.472 33.321 23.435 1056 HG22 VAL 42 HG22 VAL 42 -30.735 31.831 22.846 1057 HG23 VAL 42 HG23 VAL 42 -31.930 31.770 24.141 1058 H GLY 43 H GLY 43 -34.957 30.471 23.077 1059 HA2 GLY 43 HA2 GLY 43 -33.931 29.140 25.352 1060 HA3 GLY 43 HA3 GLY 43 -35.634 29.339 24.957 1061 H HIS 44 H HIS 44 -35.535 27.949 22.420 1062 HA HIS 44 HA HIS 44 -36.115 25.356 23.281 1063 HB2 HIS 44 HB2 HIS 44 -35.430 26.440 20.543 1064 HB3 HIS 44 HB3 HIS 44 -35.973 24.784 20.820 1065 HD1 HIS 44 HD1 HIS 44 -37.424 27.386 23.022 1066 HD2 HIS 44 HD2 HIS 44 -38.447 25.497 19.449 1067 HE1 HIS 44 HE1 HIS 44 -39.868 27.903 22.615 1068 HE2 HIS 44 HE2 HIS 44 -40.508 26.762 20.439 1069 H ILE 45 H ILE 45 -33.091 26.792 22.287 1070 HA ILE 45 HA ILE 45 -31.722 24.311 21.837 1071 HB ILE 45 HB ILE 45 -30.704 27.121 22.310 1072 HG12 ILE 45 HG12 ILE 45 -30.742 25.502 19.754 1073 HG13 ILE 45 HG13 ILE 45 -32.085 26.544 20.220 1074 HG21 ILE 45 HG21 ILE 45 -28.593 26.128 21.251 1075 HG22 ILE 45 HG22 ILE 45 -29.281 24.545 21.610 1076 HG23 ILE 45 HG23 ILE 45 -28.915 25.665 22.923 1077 HD11 ILE 45 HD11 ILE 45 -30.684 28.497 20.205 1078 HD12 ILE 45 HD12 ILE 45 -30.363 27.631 18.703 1079 HD13 ILE 45 HD13 ILE 45 -29.224 27.520 20.046 1080 H SER 46 H SER 46 -32.576 26.129 24.634 1081 HA SER 46 HA SER 46 -30.503 25.535 26.395 1082 HB2 SER 46 HB2 SER 46 -31.988 26.107 28.129 1083 HB3 SER 46 HB3 SER 46 -32.601 27.003 26.741 1084 HG SER 46 HG SER 46 -34.277 25.899 27.791 1085 H HIS 47 H HIS 47 -33.462 23.665 25.733 1086 HA HIS 47 HA HIS 47 -32.980 21.580 27.544 1087 HB2 HIS 47 HB2 HIS 47 -34.487 21.584 24.919 1088 HB3 HIS 47 HB3 HIS 47 -34.537 20.267 26.091 1089 HD1 HIS 47 HD1 HIS 47 -34.258 23.027 28.201 1090 HD2 HIS 47 HD2 HIS 47 -37.395 21.626 25.839 1091 HE1 HIS 47 HE1 HIS 47 -36.375 24.037 29.152 1092 HE2 HIS 47 HE2 HIS 47 -38.299 23.189 27.727 1093 H GLN 48 H GLN 48 -31.293 22.385 24.723 1094 HA GLN 48 HA GLN 48 -30.569 19.721 23.917 1095 HB2 GLN 48 HB2 GLN 48 -30.598 21.843 22.463 1096 HB3 GLN 48 HB3 GLN 48 -29.059 22.241 23.224 1097 HG2 GLN 48 HG2 GLN 48 -28.520 21.067 21.212 1098 HG3 GLN 48 HG3 GLN 48 -28.258 19.924 22.529 1099 HE21 GLN 48 HE21 GLN 48 -28.966 17.903 21.826 1100 HE22 GLN 48 HE22 GLN 48 -30.417 17.620 20.992 1101 H LEU 49 H LEU 49 -28.742 22.389 25.434 1102 HA LEU 49 HA LEU 49 -27.000 20.395 26.775 1103 HB2 LEU 49 HB2 LEU 49 -26.065 22.988 25.529 1104 HB3 LEU 49 HB3 LEU 49 -25.063 21.773 26.313 1105 HG LEU 49 HG LEU 49 -26.759 21.192 23.868 1106 HD11 LEU 49 HD11 LEU 49 -23.852 22.027 24.055 1107 HD12 LEU 49 HD12 LEU 49 -25.154 22.908 23.256 1108 HD13 LEU 49 HD13 LEU 49 -24.606 21.364 22.606 1109 HD21 LEU 49 HD21 LEU 49 -26.175 19.163 24.971 1110 HD22 LEU 49 HD22 LEU 49 -24.542 19.730 25.323 1111 HD23 LEU 49 HD23 LEU 49 -25.001 19.335 23.670 1112 H ASN 50 H ASN 50 -29.241 21.610 27.940 1113 HA ASN 50 HA ASN 50 -29.842 22.708 29.861 1114 HB2 ASN 50 HB2 ASN 50 -27.759 21.438 30.652 1115 HB3 ASN 50 HB3 ASN 50 -26.899 22.967 30.478 1116 HD21 ASN 50 HD21 ASN 50 -29.438 21.309 32.324 1117 HD22 ASN 50 HD22 ASN 50 -29.522 22.465 33.564 1118 H LEU 51 H LEU 51 -27.550 24.670 30.901 1119 HA LEU 51 HA LEU 51 -27.226 26.938 30.836 1120 HB2 LEU 51 HB2 LEU 51 -27.707 26.609 27.866 1121 HB3 LEU 51 HB3 LEU 51 -26.900 27.961 28.649 1122 HG LEU 51 HG LEU 51 -25.905 25.116 28.938 1123 HD11 LEU 51 HD11 LEU 51 -25.095 27.169 26.860 1124 HD12 LEU 51 HD12 LEU 51 -25.959 25.664 26.542 1125 HD13 LEU 51 HD13 LEU 51 -24.297 25.620 27.133 1126 HD21 LEU 51 HD21 LEU 51 -24.694 27.859 29.379 1127 HD22 LEU 51 HD22 LEU 51 -23.729 26.388 29.303 1128 HD23 LEU 51 HD23 LEU 51 -24.938 26.580 30.568 1129 H SER 52 H SER 52 -28.286 29.043 29.754 1130 HA SER 52 HA SER 52 -31.238 28.770 30.015 1131 HB2 SER 52 HB2 SER 52 -29.520 31.111 30.867 1132 HB3 SER 52 HB3 SER 52 -31.253 30.915 31.124 1133 HG SER 52 HG SER 52 -30.813 29.788 32.821 1134 H GLN 53 H GLN 53 -32.302 30.870 29.155 1135 HA GLN 53 HA GLN 53 -31.791 31.004 26.368 1136 HB2 GLN 53 HB2 GLN 53 -33.475 32.853 26.412 1137 HB3 GLN 53 HB3 GLN 53 -34.026 31.385 27.219 1138 HG2 GLN 53 HG2 GLN 53 -33.294 32.367 29.400 1139 HG3 GLN 53 HG3 GLN 53 -32.888 33.859 28.553 1140 HE21 GLN 53 HE21 GLN 53 -35.710 31.811 27.791 1141 HE22 GLN 53 HE22 GLN 53 -36.871 32.958 28.260 1142 H SER 54 H SER 54 -30.865 33.024 29.094 1143 HA SER 54 HA SER 54 -29.906 35.222 27.542 1144 HB2 SER 54 HB2 SER 54 -28.997 36.048 29.600 1145 HB3 SER 54 HB3 SER 54 -30.538 35.289 29.990 1146 HG SER 54 HG SER 54 -28.044 33.955 30.130 1147 H ASN 55 H ASN 55 -28.351 32.414 29.060 1148 HA ASN 55 HA ASN 55 -25.690 33.051 28.449 1149 HB2 ASN 55 HB2 ASN 55 -26.956 30.306 28.615 1150 HB3 ASN 55 HB3 ASN 55 -25.237 30.667 28.763 1151 HD21 ASN 55 HD21 ASN 55 -25.394 33.010 30.400 1152 HD22 ASN 55 HD22 ASN 55 -26.018 32.564 31.914 1153 H VAL 56 H VAL 56 -28.108 31.233 26.582 1154 HA VAL 56 HA VAL 56 -26.357 30.587 24.433 1155 HB VAL 56 HB VAL 56 -29.379 30.771 24.502 1156 HG11 VAL 56 HG11 VAL 56 -29.126 29.151 22.548 1157 HG12 VAL 56 HG12 VAL 56 -27.427 29.621 22.497 1158 HG13 VAL 56 HG13 VAL 56 -28.685 30.825 22.211 1159 HG21 VAL 56 HG21 VAL 56 -28.179 29.161 26.096 1160 HG22 VAL 56 HG22 VAL 56 -27.627 28.310 24.654 1161 HG23 VAL 56 HG23 VAL 56 -29.353 28.437 24.997 1162 H SER 57 H SER 57 -28.361 33.356 25.183 1163 HA SER 57 HA SER 57 -28.526 34.532 22.637 1164 HB2 SER 57 HB2 SER 57 -29.182 36.500 23.744 1165 HB3 SER 57 HB3 SER 57 -29.670 35.220 24.853 1166 HG SER 57 HG SER 57 -28.489 36.283 26.222 1167 H HIS 58 H HIS 58 -25.968 34.531 25.047 1168 HA HIS 58 HA HIS 58 -24.394 36.555 23.754 1169 HB2 HIS 58 HB2 HIS 58 -24.317 35.933 26.217 1170 HB3 HIS 58 HB3 HIS 58 -23.428 34.487 25.735 1171 HD1 HIS 58 HD1 HIS 58 -22.467 36.987 23.403 1172 HD2 HIS 58 HD2 HIS 58 -21.421 36.197 27.361 1173 HE1 HIS 58 HE1 HIS 58 -20.280 38.191 23.818 1174 HE2 HIS 58 HE2 HIS 58 -19.631 37.728 26.228 1175 H GLN 59 H GLN 59 -24.475 33.027 23.723 1176 HA GLN 59 HA GLN 59 -22.017 32.664 22.348 1177 HB2 GLN 59 HB2 GLN 59 -24.438 30.845 22.436 1178 HB3 GLN 59 HB3 GLN 59 -22.806 30.378 21.957 1179 HG2 GLN 59 HG2 GLN 59 -23.548 31.501 24.674 1180 HG3 GLN 59 HG3 GLN 59 -23.318 29.788 24.329 1181 HE21 GLN 59 HE21 GLN 59 -21.065 29.268 23.306 1182 HE22 GLN 59 HE22 GLN 59 -19.742 30.143 23.910 1183 H LEU 60 H LEU 60 -25.316 32.111 21.084 1184 HA LEU 60 HA LEU 60 -24.684 31.882 18.417 1185 HB2 LEU 60 HB2 LEU 60 -27.142 33.315 19.441 1186 HB3 LEU 60 HB3 LEU 60 -26.968 32.449 17.916 1187 HG LEU 60 HG LEU 60 -26.836 31.221 20.686 1188 HD11 LEU 60 HD11 LEU 60 -28.924 30.065 19.880 1189 HD12 LEU 60 HD12 LEU 60 -28.910 31.137 18.480 1190 HD13 LEU 60 HD13 LEU 60 -29.105 31.805 20.100 1191 HD21 LEU 60 HD21 LEU 60 -26.373 30.109 17.918 1192 HD22 LEU 60 HD22 LEU 60 -26.959 29.070 19.217 1193 HD23 LEU 60 HD23 LEU 60 -25.407 29.884 19.377 1194 H LYS 61 H LYS 61 -24.691 34.768 20.358 1195 HA LYS 61 HA LYS 61 -24.803 36.637 18.192 1196 HB2 LYS 61 HB2 LYS 61 -25.275 37.152 20.632 1197 HB3 LYS 61 HB3 LYS 61 -23.532 37.086 20.898 1198 HG2 LYS 61 HG2 LYS 61 -23.229 38.831 19.147 1199 HG3 LYS 61 HG3 LYS 61 -24.981 38.930 18.974 1200 HD2 LYS 61 HD2 LYS 61 -25.174 39.561 21.360 1201 HD3 LYS 61 HD3 LYS 61 -23.417 39.492 21.513 1202 HE2 LYS 61 HE2 LYS 61 -23.277 41.213 19.669 1203 HE3 LYS 61 HE3 LYS 61 -25.031 41.374 19.770 1204 HZ1 LYS 61 HZ1 LYS 61 -23.234 41.713 22.102 1205 HZ2 LYS 61 HZ2 LYS 61 -24.880 42.116 21.993 1206 HZ3 LYS 61 HZ3 LYS 61 -23.728 43.005 21.118 1207 H LEU 62 H LEU 62 -22.199 35.071 20.002 1208 HA LEU 62 HA LEU 62 -20.022 36.453 18.920 1209 HB2 LEU 62 HB2 LEU 62 -20.183 34.641 20.814 1210 HB3 LEU 62 HB3 LEU 62 -19.884 33.498 19.512 1211 HG LEU 62 HG LEU 62 -18.116 35.878 20.157 1212 HD11 LEU 62 HD11 LEU 62 -18.094 34.170 21.943 1213 HD12 LEU 62 HD12 LEU 62 -16.563 34.196 21.069 1214 HD13 LEU 62 HD13 LEU 62 -17.742 32.924 20.744 1215 HD21 LEU 62 HD21 LEU 62 -17.787 35.356 17.876 1216 HD22 LEU 62 HD22 LEU 62 -17.974 33.624 18.149 1217 HD23 LEU 62 HD23 LEU 62 -16.516 34.453 18.692 1218 H LEU 63 H LEU 63 -21.405 33.331 17.868 1219 HA LEU 63 HA LEU 63 -19.828 33.026 15.566 1220 HB2 LEU 63 HB2 LEU 63 -22.546 31.993 16.366 1221 HB3 LEU 63 HB3 LEU 63 -21.867 31.612 14.785 1222 HG LEU 63 HG LEU 63 -19.910 30.596 15.819 1223 HD11 LEU 63 HD11 LEU 63 -19.978 30.319 18.372 1224 HD12 LEU 63 HD12 LEU 63 -21.179 31.611 18.369 1225 HD13 LEU 63 HD13 LEU 63 -19.548 31.916 17.767 1226 HD21 LEU 63 HD21 LEU 63 -22.478 29.659 17.137 1227 HD22 LEU 63 HD22 LEU 63 -21.011 28.699 16.943 1228 HD23 LEU 63 HD23 LEU 63 -21.931 29.201 15.524 1229 H LYS 64 H LYS 64 -22.612 35.008 16.194 1230 HA LYS 64 HA LYS 64 -23.294 35.498 13.451 1231 HB2 LYS 64 HB2 LYS 64 -24.771 35.797 15.546 1232 HB3 LYS 64 HB3 LYS 64 -23.927 37.327 15.767 1233 HG2 LYS 64 HG2 LYS 64 -24.615 38.029 13.496 1234 HG3 LYS 64 HG3 LYS 64 -25.436 36.489 13.273 1235 HD2 LYS 64 HD2 LYS 64 -27.218 37.834 13.944 1236 HD3 LYS 64 HD3 LYS 64 -26.713 37.171 15.492 1237 HE2 LYS 64 HE2 LYS 64 -26.977 39.519 15.834 1238 HE3 LYS 64 HE3 LYS 64 -25.237 39.255 15.735 1239 HZ1 LYS 64 HZ1 LYS 64 -26.951 40.080 13.457 1240 HZ2 LYS 64 HZ2 LYS 64 -25.259 39.929 13.448 1241 HZ3 LYS 64 HZ3 LYS 64 -26.000 41.139 14.383 1242 H SER 65 H SER 65 -20.733 36.468 15.404 1243 HA SER 65 HA SER 65 -20.401 39.134 14.341 1244 HB2 SER 65 HB2 SER 65 -19.650 38.315 16.640 1245 HB3 SER 65 HB3 SER 65 -18.325 37.507 15.804 1246 HG SER 65 HG SER 65 -17.769 39.620 16.498 1247 H VAL 66 H VAL 66 -18.633 36.044 13.968 1248 HA VAL 66 HA VAL 66 -16.734 37.097 12.185 1249 HB VAL 66 HB VAL 66 -16.245 35.084 13.366 1250 HG11 VAL 66 HG11 VAL 66 -18.186 33.447 11.756 1251 HG12 VAL 66 HG12 VAL 66 -18.777 34.307 13.175 1252 HG13 VAL 66 HG13 VAL 66 -17.488 33.120 13.335 1253 HG21 VAL 66 HG21 VAL 66 -15.313 35.466 11.052 1254 HG22 VAL 66 HG22 VAL 66 -16.543 34.358 10.444 1255 HG23 VAL 66 HG23 VAL 66 -15.319 33.782 11.575 1256 H HIS 67 H HIS 67 -19.273 34.734 11.251 1257 HA HIS 67 HA HIS 67 -20.273 36.261 9.109 1258 HB2 HIS 67 HB2 HIS 67 -18.020 35.907 8.134 1259 HB3 HIS 67 HB3 HIS 67 -18.250 34.166 8.274 1260 HD1 HIS 67 HD1 HIS 67 -19.057 33.142 6.160 1261 HD2 HIS 67 HD2 HIS 67 -20.430 37.057 6.571 1262 HE1 HIS 67 HE1 HIS 67 -20.420 33.643 4.087 1263 HE2 HIS 67 HE2 HIS 67 -21.264 36.026 4.319 1264 H LEU 68 H LEU 68 -20.352 33.682 11.130 1265 HA LEU 68 HA LEU 68 -22.145 32.038 9.431 1266 HB2 LEU 68 HB2 LEU 68 -20.453 31.475 11.857 1267 HB3 LEU 68 HB3 LEU 68 -21.849 30.457 11.520 1268 HG LEU 68 HG LEU 68 -20.917 30.076 9.205 1269 HD11 LEU 68 HD11 LEU 68 -18.426 30.521 9.021 1270 HD12 LEU 68 HD12 LEU 68 -18.579 31.552 10.443 1271 HD13 LEU 68 HD13 LEU 68 -19.440 31.961 8.958 1272 HD21 LEU 68 HD21 LEU 68 -19.269 29.271 11.617 1273 HD22 LEU 68 HD22 LEU 68 -19.122 28.528 10.024 1274 HD23 LEU 68 HD23 LEU 68 -20.633 28.391 10.923 1275 H VAL 69 H VAL 69 -24.169 31.408 10.237 1276 HA VAL 69 HA VAL 69 -26.175 31.694 11.286 1277 HB VAL 69 HB VAL 69 -24.660 32.952 13.576 1278 HG11 VAL 69 HG11 VAL 69 -27.110 33.086 13.671 1279 HG12 VAL 69 HG12 VAL 69 -26.514 31.948 14.878 1280 HG13 VAL 69 HG13 VAL 69 -27.228 31.351 13.380 1281 HG21 VAL 69 HG21 VAL 69 -24.614 30.560 14.451 1282 HG22 VAL 69 HG22 VAL 69 -23.508 30.895 13.120 1283 HG23 VAL 69 HG23 VAL 69 -25.022 30.044 12.814 1284 H LYS 70 H LYS 70 -27.781 33.220 11.465 1285 HA LYS 70 HA LYS 70 -27.129 36.065 11.523 1286 HB2 LYS 70 HB2 LYS 70 -26.986 35.303 9.104 1287 HB3 LYS 70 HB3 LYS 70 -28.706 34.929 9.206 1288 HG2 LYS 70 HG2 LYS 70 -29.060 37.322 9.997 1289 HG3 LYS 70 HG3 LYS 70 -27.382 37.629 9.550 1290 HD2 LYS 70 HD2 LYS 70 -27.839 36.973 7.241 1291 HD3 LYS 70 HD3 LYS 70 -29.496 36.545 7.665 1292 HE2 LYS 70 HE2 LYS 70 -29.150 38.855 6.599 1293 HE3 LYS 70 HE3 LYS 70 -30.080 38.813 8.096 1294 HZ1 LYS 70 HZ1 LYS 70 -27.187 39.440 7.861 1295 HZ2 LYS 70 HZ2 LYS 70 -28.063 39.369 9.315 1296 HZ3 LYS 70 HZ3 LYS 70 -28.428 40.560 8.160 1297 H ALA 71 H ALA 71 -28.790 37.278 12.329 1298 HA ALA 71 HA ALA 71 -31.160 35.796 13.295 1299 HB1 ALA 71 HB1 ALA 71 -30.221 38.532 14.153 1300 HB2 ALA 71 HB2 ALA 71 -29.613 37.046 14.882 1301 HB3 ALA 71 HB3 ALA 71 -31.327 37.446 14.993 1302 H LYS 72 H LYS 72 -33.204 36.435 12.860 1303 HA LYS 72 HA LYS 72 -33.721 38.919 11.396 1304 HB2 LYS 72 HB2 LYS 72 -35.075 37.717 9.696 1305 HB3 LYS 72 HB3 LYS 72 -33.355 37.350 9.584 1306 HG2 LYS 72 HG2 LYS 72 -33.890 35.317 11.098 1307 HG3 LYS 72 HG3 LYS 72 -35.576 35.623 10.685 1308 HD2 LYS 72 HD2 LYS 72 -35.071 35.398 8.305 1309 HD3 LYS 72 HD3 LYS 72 -33.357 35.184 8.667 1310 HE2 LYS 72 HE2 LYS 72 -33.823 33.118 9.870 1311 HE3 LYS 72 HE3 LYS 72 -35.559 33.357 9.674 1312 HZ1 LYS 72 HZ1 LYS 72 -35.236 33.252 7.262 1313 HZ2 LYS 72 HZ2 LYS 72 -34.754 31.817 8.032 1314 HZ3 LYS 72 HZ3 LYS 72 -33.586 32.929 7.497 1315 H ARG 73 H ARG 73 -35.180 39.851 12.650 1316 HA ARG 73 HA ARG 73 -36.662 38.577 14.603 1317 HB2 ARG 73 HB2 ARG 73 -37.201 41.210 13.211 1318 HB3 ARG 73 HB3 ARG 73 -38.010 40.681 14.686 1319 HG2 ARG 73 HG2 ARG 73 -35.827 40.505 15.825 1320 HG3 ARG 73 HG3 ARG 73 -35.016 41.038 14.351 1321 HD2 ARG 73 HD2 ARG 73 -36.434 43.135 14.453 1322 HD3 ARG 73 HD3 ARG 73 -36.967 42.614 16.049 1323 HE ARG 73 HE ARG 73 -34.879 43.202 16.892 1324 HH11 ARG 73 HH21 ARG 73 -34.868 43.099 13.435 1325 HH12 ARG 73 HH22 ARG 73 -33.291 43.798 13.280 1326 HH21 ARG 73 HH11 ARG 73 -32.810 44.118 16.701 1327 HH22 ARG 73 HH12 ARG 73 -32.124 44.374 15.132 1328 H GLN 74 H GLN 74 -38.837 38.105 14.859 1329 HA GLN 74 HA GLN 74 -40.612 38.019 12.540 1330 HB2 GLN 74 HB2 GLN 74 -39.293 35.943 12.328 1331 HB3 GLN 74 HB3 GLN 74 -39.750 35.492 13.971 1332 HG2 GLN 74 HG2 GLN 74 -42.082 35.360 13.361 1333 HG3 GLN 74 HG3 GLN 74 -41.756 36.044 11.769 1334 HE21 GLN 74 HE21 GLN 74 -41.287 33.135 13.778 1335 HE22 GLN 74 HE22 GLN 74 -40.939 32.098 12.479 1336 H GLY 75 H GLY 75 -42.086 39.271 13.630 1337 HA2 GLY 75 HA2 GLY 75 -43.868 39.703 15.019 1338 HA3 GLY 75 HA3 GLY 75 -43.898 37.977 15.370 1339 H GLN 76 H GLN 76 -41.446 40.480 15.980 1340 HA GLN 76 HA GLN 76 -40.494 41.263 17.899 1341 HB2 GLN 76 HB2 GLN 76 -42.976 41.306 18.650 1342 HB3 GLN 76 HB3 GLN 76 -42.582 39.841 19.547 1343 HG2 GLN 76 HG2 GLN 76 -40.690 41.080 20.629 1344 HG3 GLN 76 HG3 GLN 76 -41.257 42.548 19.836 1345 HE21 GLN 76 HE21 GLN 76 -41.280 42.732 22.545 1346 HE22 GLN 76 HE22 GLN 76 -42.846 42.551 23.173 1347 H SER 77 H SER 77 -41.239 37.916 17.492 1348 HA SER 77 HA SER 77 -39.433 36.998 19.579 1349 HB2 SER 77 HB2 SER 77 -40.733 35.403 17.361 1350 HB3 SER 77 HB3 SER 77 -40.040 34.784 18.859 1351 HG SER 77 HG SER 77 -41.662 35.758 20.005 1352 H MET 78 H MET 78 -37.306 36.929 19.314 1353 HA MET 78 HA MET 78 -36.110 37.189 16.678 1354 HB2 MET 78 HB2 MET 78 -33.984 37.275 17.924 1355 HB3 MET 78 HB3 MET 78 -35.157 38.424 18.564 1356 HG2 MET 78 HG2 MET 78 -35.797 36.547 20.229 1357 HG3 MET 78 HG3 MET 78 -34.282 35.786 19.741 1358 HE1 MET 78 HE1 MET 78 -32.833 36.061 22.165 1359 HE2 MET 78 HE2 MET 78 -34.586 36.011 22.350 1360 HE3 MET 78 HE3 MET 78 -33.641 37.203 23.242 1361 H ILE 79 H ILE 79 -35.519 35.539 15.437 1362 HA ILE 79 HA ILE 79 -34.897 32.905 16.665 1363 HB ILE 79 HB ILE 79 -36.476 33.461 14.140 1364 HG12 ILE 79 HG12 ILE 79 -37.349 31.999 16.639 1365 HG13 ILE 79 HG13 ILE 79 -37.613 33.729 16.422 1366 HG21 ILE 79 HG21 ILE 79 -35.416 30.921 15.396 1367 HG22 ILE 79 HG22 ILE 79 -35.144 31.512 13.757 1368 HG23 ILE 79 HG23 ILE 79 -36.737 30.920 14.228 1369 HD11 ILE 79 HD11 ILE 79 -38.585 31.556 14.540 1370 HD12 ILE 79 HD12 ILE 79 -38.864 33.288 14.347 1371 HD13 ILE 79 HD13 ILE 79 -39.588 32.423 15.703 1372 H TYR 80 H TYR 80 -33.429 31.609 15.465 1373 HA TYR 80 HA TYR 80 -31.750 33.070 13.492 1374 HB2 TYR 80 HB2 TYR 80 -30.665 31.122 15.522 1375 HB3 TYR 80 HB3 TYR 80 -29.789 32.305 14.549 1376 HD1 TYR 80 HD2 TYR 80 -32.249 31.928 17.320 1377 HD2 TYR 80 HD1 TYR 80 -29.511 34.551 15.303 1378 HE1 TYR 80 HE2 TYR 80 -32.516 33.600 19.132 1379 HE2 TYR 80 HE1 TYR 80 -29.779 36.224 17.113 1380 HH TYR 80 HH TYR 80 -30.534 35.920 19.801 1381 H SER 81 H SER 81 -30.525 31.686 12.067 1382 HA SER 81 HA SER 81 -31.181 28.877 11.896 1383 HB2 SER 81 HB2 SER 81 -32.217 30.812 9.810 1384 HB3 SER 81 HB3 SER 81 -32.186 29.060 9.624 1385 HG SER 81 HG SER 81 -33.300 29.374 11.899 1386 H LEU 82 H LEU 82 -30.507 28.359 9.309 1387 HA LEU 82 HA LEU 82 -27.672 28.627 9.365 1388 HB2 LEU 82 HB2 LEU 82 -29.277 27.825 6.940 1389 HB3 LEU 82 HB3 LEU 82 -27.663 27.293 7.416 1390 HG LEU 82 HG LEU 82 -30.271 26.632 8.814 1391 HD11 LEU 82 HD11 LEU 82 -28.274 25.014 7.213 1392 HD12 LEU 82 HD12 LEU 82 -29.975 25.290 6.838 1393 HD13 LEU 82 HD13 LEU 82 -29.527 24.285 8.217 1394 HD21 LEU 82 HD21 LEU 82 -28.654 26.853 10.544 1395 HD22 LEU 82 HD22 LEU 82 -27.383 26.133 9.555 1396 HD23 LEU 82 HD23 LEU 82 -28.690 25.128 10.180 1397 H ASP 83 H ASP 83 -26.304 29.741 7.940 1398 HA ASP 83 HA ASP 83 -27.311 32.319 7.073 1399 HB2 ASP 83 HB2 ASP 83 -24.888 32.622 6.362 1400 HB3 ASP 83 HB3 ASP 83 -25.153 32.348 8.082 1401 H ASP 84 H ASP 84 -26.677 29.230 5.685 1402 HA ASP 84 HA ASP 84 -27.835 29.935 3.192 1403 HB2 ASP 84 HB2 ASP 84 -25.537 30.984 2.980 1404 HB3 ASP 84 HB3 ASP 84 -24.873 29.351 3.045 1405 H ILE 85 H ILE 85 -27.310 28.037 1.535 1406 HA ILE 85 HA ILE 85 -28.048 25.623 2.917 1407 HB ILE 85 HB ILE 85 -27.389 25.956 -0.016 1408 HG12 ILE 85 HG12 ILE 85 -30.044 26.356 1.398 1409 HG13 ILE 85 HG13 ILE 85 -29.052 27.651 0.727 1410 HG21 ILE 85 HG21 ILE 85 -29.256 24.060 1.440 1411 HG22 ILE 85 HG22 ILE 85 -27.631 23.638 0.899 1412 HG23 ILE 85 HG23 ILE 85 -28.876 24.043 -0.282 1413 HD11 ILE 85 HD11 ILE 85 -29.186 26.452 -1.505 1414 HD12 ILE 85 HD12 ILE 85 -30.710 27.125 -0.931 1415 HD13 ILE 85 HD13 ILE 85 -30.397 25.396 -0.779 1416 H HIS 86 H HIS 86 -25.137 26.950 1.540 1417 HA HIS 86 HA HIS 86 -23.631 24.689 1.019 1418 HB2 HIS 86 HB2 HIS 86 -22.766 27.343 2.186 1419 HB3 HIS 86 HB3 HIS 86 -21.648 26.115 1.590 1420 HD1 HIS 86 HD1 HIS 86 -23.365 29.041 0.472 1421 HD2 HIS 86 HD2 HIS 86 -22.478 25.363 -1.282 1422 HE1 HIS 86 HE1 HIS 86 -23.566 29.374 -2.029 1423 HE2 HIS 86 HE2 HIS 86 -23.027 27.143 -3.115 1424 H VAL 87 H VAL 87 -23.379 26.559 4.049 1425 HA VAL 87 HA VAL 87 -21.831 24.884 5.510 1426 HB VAL 87 HB VAL 87 -22.586 27.033 6.369 1427 HG11 VAL 87 HG11 VAL 87 -25.279 25.693 6.754 1428 HG12 VAL 87 HG12 VAL 87 -24.912 26.850 5.473 1429 HG13 VAL 87 HG13 VAL 87 -24.868 27.359 7.161 1430 HG21 VAL 87 HG21 VAL 87 -23.636 24.892 8.232 1431 HG22 VAL 87 HG22 VAL 87 -22.866 26.420 8.662 1432 HG23 VAL 87 HG23 VAL 87 -21.913 25.126 7.936 1433 H ALA 88 H ALA 88 -25.211 24.390 4.715 1434 HA ALA 88 HA ALA 88 -25.800 22.393 6.621 1435 HB1 ALA 88 HB1 ALA 88 -27.736 21.953 5.358 1436 HB2 ALA 88 HB2 ALA 88 -26.971 22.436 3.844 1437 HB3 ALA 88 HB3 ALA 88 -27.401 23.656 5.043 1438 H THR 89 H THR 89 -24.963 22.000 3.168 1439 HA THR 89 HA THR 89 -24.631 19.200 3.286 1440 HB THR 89 HB THR 89 -23.521 19.430 1.122 1441 HG1 THR 89 HG1 THR 89 -22.227 21.209 1.584 1442 HG21 THR 89 HG21 THR 89 -25.306 20.503 -0.066 1443 HG22 THR 89 HG22 THR 89 -25.691 21.530 1.313 1444 HG23 THR 89 HG23 THR 89 -26.026 19.801 1.382 1445 H MET 90 H MET 90 -22.490 21.861 4.032 1446 HA MET 90 HA MET 90 -19.991 20.726 3.864 1447 HB2 MET 90 HB2 MET 90 -20.595 23.078 4.621 1448 HB3 MET 90 HB3 MET 90 -20.874 22.395 6.223 1449 HG2 MET 90 HG2 MET 90 -18.570 21.550 6.286 1450 HG3 MET 90 HG3 MET 90 -18.284 22.169 4.658 1451 HE1 MET 90 HE1 MET 90 -16.185 23.057 6.563 1452 HE2 MET 90 HE2 MET 90 -16.152 24.788 6.227 1453 HE3 MET 90 HE3 MET 90 -16.438 23.643 4.917 1454 H LEU 91 H LEU 91 -22.133 20.602 6.719 1455 HA LEU 91 HA LEU 91 -20.457 18.833 8.180 1456 HB2 LEU 91 HB2 LEU 91 -23.432 19.284 8.508 1457 HB3 LEU 91 HB3 LEU 91 -22.335 18.625 9.716 1458 HG LEU 91 HG LEU 91 -21.960 21.380 8.513 1459 HD11 LEU 91 HD11 LEU 91 -23.573 20.514 10.918 1460 HD12 LEU 91 HD12 LEU 91 -24.109 21.486 9.547 1461 HD13 LEU 91 HD13 LEU 91 -22.976 22.161 10.719 1462 HD21 LEU 91 HD21 LEU 91 -20.760 21.695 10.743 1463 HD22 LEU 91 HD22 LEU 91 -19.968 20.617 9.599 1464 HD23 LEU 91 HD23 LEU 91 -20.878 19.951 10.956 1465 H LYS 92 H LYS 92 -22.858 18.324 5.723 1466 HA LYS 92 HA LYS 92 -23.540 15.653 6.390 1467 HB2 LYS 92 HB2 LYS 92 -24.825 17.164 4.829 1468 HB3 LYS 92 HB3 LYS 92 -23.556 16.912 3.640 1469 HG2 LYS 92 HG2 LYS 92 -25.249 15.345 3.095 1470 HG3 LYS 92 HG3 LYS 92 -23.972 14.416 3.868 1471 HD2 LYS 92 HD2 LYS 92 -25.197 14.119 5.851 1472 HD3 LYS 92 HD3 LYS 92 -26.264 15.482 5.517 1473 HE2 LYS 92 HE2 LYS 92 -26.205 12.972 3.826 1474 HE3 LYS 92 HE3 LYS 92 -27.301 13.190 5.191 1475 HZ1 LYS 92 HZ1 LYS 92 -28.517 13.913 3.368 1476 HZ2 LYS 92 HZ2 LYS 92 -27.190 14.695 2.653 1477 HZ3 LYS 92 HZ3 LYS 92 -27.928 15.360 4.032 1478 H GLN 93 H GLN 93 -21.648 16.681 3.541 1479 HA GLN 93 HA GLN 93 -20.534 14.211 2.979 1480 HB2 GLN 93 HB2 GLN 93 -19.510 17.008 2.484 1481 HB3 GLN 93 HB3 GLN 93 -18.670 15.580 1.882 1482 HG2 GLN 93 HG2 GLN 93 -20.227 16.521 0.191 1483 HG3 GLN 93 HG3 GLN 93 -20.673 14.882 0.660 1484 HE21 GLN 93 HE21 GLN 93 -22.821 14.609 1.296 1485 HE22 GLN 93 HE22 GLN 93 -23.854 15.866 1.780 1486 H ALA 94 H ALA 94 -19.921 16.159 5.686 1487 HA ALA 94 HA ALA 94 -17.180 15.464 6.123 1488 HB1 ALA 94 HB1 ALA 94 -19.202 16.249 8.226 1489 HB2 ALA 94 HB2 ALA 94 -18.418 17.421 7.166 1490 HB3 ALA 94 HB3 ALA 94 -17.451 16.454 8.281 1491 H ILE 95 H ILE 95 -20.275 14.229 7.363 1492 HA ILE 95 HA ILE 95 -19.067 12.185 8.960 1493 HB ILE 95 HB ILE 95 -21.915 12.436 7.957 1494 HG12 ILE 95 HG12 ILE 95 -20.729 13.224 10.634 1495 HG13 ILE 95 HG13 ILE 95 -20.991 14.367 9.316 1496 HG21 ILE 95 HG21 ILE 95 -21.539 10.188 8.702 1497 HG22 ILE 95 HG22 ILE 95 -22.330 11.023 10.039 1498 HG23 ILE 95 HG23 ILE 95 -20.590 10.737 10.084 1499 HD11 ILE 95 HD11 ILE 95 -23.145 12.654 10.592 1500 HD12 ILE 95 HD12 ILE 95 -23.389 13.846 9.314 1501 HD13 ILE 95 HD13 ILE 95 -22.882 14.367 10.921 1502 H HIS 96 H HIS 96 -19.660 12.497 5.624 1503 HA HIS 96 HA HIS 96 -20.132 9.764 4.962 1504 HB2 HIS 96 HB2 HIS 96 -19.022 12.083 3.371 1505 HB3 HIS 96 HB3 HIS 96 -19.294 10.483 2.681 1506 HD1 HIS 96 HD1 HIS 96 -21.740 11.433 5.258 1507 HD2 HIS 96 HD2 HIS 96 -21.414 11.805 1.117 1508 HE1 HIS 96 HE1 HIS 96 -24.045 12.039 4.411 1509 HE2 HIS 96 HE2 HIS 96 -23.866 12.276 1.890 1510 H HIS 97 H HIS 97 -17.178 11.769 4.918 1511 HA HIS 97 HA HIS 97 -15.412 9.676 4.212 1512 HB2 HIS 97 HB2 HIS 97 -14.917 12.154 4.117 1513 HB3 HIS 97 HB3 HIS 97 -14.722 12.110 5.869 1514 HD1 HIS 97 HD1 HIS 97 -13.034 11.194 2.689 1515 HD2 HIS 97 HD2 HIS 97 -12.467 10.512 6.762 1516 HE1 HIS 97 HE1 HIS 97 -10.679 10.303 2.944 1517 HE2 HIS 97 HE2 HIS 97 -10.316 9.877 5.421 1518 H ALA 98 H ALA 98 -16.949 10.539 7.183 1519 HA ALA 98 HA ALA 98 -15.147 9.391 9.028 1520 HB1 ALA 98 HB1 ALA 98 -18.145 9.413 9.360 1521 HB2 ALA 98 HB2 ALA 98 -17.178 10.881 9.500 1522 HB3 ALA 98 HB3 ALA 98 -16.904 9.537 10.608 1523 H ASN 99 H ASN 99 -17.773 8.017 7.106 1524 HA ASN 99 HA ASN 99 -17.595 5.419 8.347 1525 HB2 ASN 99 HB2 ASN 99 -18.961 6.320 5.799 1526 HB3 ASN 99 HB3 ASN 99 -19.153 4.736 6.547 1527 HD21 ASN 99 HD21 ASN 99 -21.340 4.906 7.238 1528 HD22 ASN 99 HD22 ASN 99 -21.880 6.081 8.337 1529 H HIS 100 H HIS 100 -17.794 5.144 4.983 1530 HA HIS 100 HA HIS 100 -16.461 4.083 3.442 1531 HB2 HIS 100 HB2 HIS 100 -14.419 5.780 4.889 1532 HB3 HIS 100 HB3 HIS 100 -14.062 4.868 3.423 1533 HD1 HIS 100 HD1 HIS 100 -17.407 5.763 2.924 1534 HD2 HIS 100 HD2 HIS 100 -13.863 7.953 2.791 1535 HE1 HIS 100 HE1 HIS 100 -17.901 7.839 1.563 1536 HE2 HIS 100 HE2 HIS 100 -15.749 9.183 1.466 1537 HA PRO 101 HA PRO 101 -15.461 0.842 6.701 1538 HB2 PRO 101 HB2 PRO 101 -16.469 -0.681 4.302 1539 HB3 PRO 101 HB3 PRO 101 -16.740 -0.999 6.026 1540 HG2 PRO 101 HG2 PRO 101 -18.634 0.140 4.568 1541 HG3 PRO 101 HG3 PRO 101 -18.313 0.710 6.215 1542 HD2 PRO 101 HD2 PRO 101 -17.569 1.985 3.598 1543 HD3 PRO 101 HD3 PRO 101 -18.040 2.756 5.128 1544 H LYS 102 H LYS 102 -15.036 0.233 3.204 1545 HA LYS 102 HA LYS 102 -12.179 0.386 3.332 1546 HB2 LYS 102 HB2 LYS 102 -12.566 -1.816 4.434 1547 HB3 LYS 102 HB3 LYS 102 -13.380 -2.370 2.971 1548 HG2 LYS 102 HG2 LYS 102 -11.342 -1.994 1.663 1549 HG3 LYS 102 HG3 LYS 102 -10.522 -1.361 3.090 1550 HD2 LYS 102 HD2 LYS 102 -10.844 -3.551 4.220 1551 HD3 LYS 102 HD3 LYS 102 -11.596 -4.177 2.752 1552 HE2 LYS 102 HE2 LYS 102 -8.756 -3.144 3.013 1553 HE3 LYS 102 HE3 LYS 102 -9.240 -4.827 2.793 1554 HZ1 LYS 102 HZ1 LYS 102 -10.463 -3.780 0.729 1555 HZ2 LYS 102 HZ2 LYS 102 -8.837 -4.263 0.649 1556 HZ3 LYS 102 HZ3 LYS 102 -9.225 -2.626 0.872 1557 H GLU 103 H GLU 103 -12.566 1.784 1.575 1558 HA GLU 103 HA GLU 103 -12.648 0.457 -0.987 1559 HB2 GLU 103 HB2 GLU 103 -15.063 0.680 -0.472 1560 HB3 GLU 103 HB3 GLU 103 -14.846 2.421 -0.294 1561 HG2 GLU 103 HG2 GLU 103 -14.205 2.657 -2.600 1562 HG3 GLU 103 HG3 GLU 103 -14.109 0.909 -2.811 Start of MODEL 5 1 H ASN 9 H ASN 9 -20.801 5.972 18.307 2 HA ASN 9 HA ASN 9 -23.025 7.378 17.052 3 HB2 ASN 9 HB2 ASN 9 -24.064 5.335 18.034 4 HB3 ASN 9 HB3 ASN 9 -23.335 5.740 19.586 5 HD21 ASN 9 HD21 ASN 9 -25.795 5.775 20.177 6 HD22 ASN 9 HD22 ASN 9 -26.596 7.258 19.979 7 H THR 10 H THR 10 -21.561 6.632 20.227 8 HA THR 10 HA THR 10 -21.503 9.469 20.924 9 HB THR 10 HB THR 10 -20.584 7.033 22.470 10 HG1 THR 10 HG1 THR 10 -22.611 6.812 22.881 11 HG21 THR 10 HG21 THR 10 -20.823 8.672 24.401 12 HG22 THR 10 HG22 THR 10 -20.939 9.951 23.192 13 HG23 THR 10 HG23 THR 10 -19.470 8.983 23.313 14 H ASP 11 H ASP 11 -19.280 6.850 20.121 15 HA ASP 11 HA ASP 11 -16.906 8.377 20.693 16 HB2 ASP 11 HB2 ASP 11 -17.244 5.850 19.060 17 HB3 ASP 11 HB3 ASP 11 -15.721 6.500 19.662 18 H THR 12 H THR 12 -19.041 7.979 17.994 19 HA THR 12 HA THR 12 -17.189 8.894 15.990 20 HB THR 12 HB THR 12 -19.186 9.014 14.546 21 HG1 THR 12 HG1 THR 12 -21.156 8.849 15.372 22 HG21 THR 12 HG21 THR 12 -18.047 6.841 14.945 23 HG22 THR 12 HG22 THR 12 -19.775 6.636 14.658 24 HG23 THR 12 HG23 THR 12 -19.135 6.537 16.298 25 H LEU 13 H LEU 13 -20.217 10.373 17.179 26 HA LEU 13 HA LEU 13 -19.906 12.899 16.172 27 HB2 LEU 13 HB2 LEU 13 -21.913 12.155 17.371 28 HB3 LEU 13 HB3 LEU 13 -21.017 12.137 18.885 29 HG LEU 13 HG LEU 13 -20.662 14.564 18.727 30 HD11 LEU 13 HD11 LEU 13 -20.565 15.116 16.453 31 HD12 LEU 13 HD12 LEU 13 -22.154 15.722 16.898 32 HD13 LEU 13 HD13 LEU 13 -22.006 14.181 16.055 33 HD21 LEU 13 HD21 LEU 13 -23.564 13.811 18.279 34 HD22 LEU 13 HD22 LEU 13 -22.972 15.237 19.129 35 HD23 LEU 13 HD23 LEU 13 -22.705 13.632 19.808 36 H GLU 14 H GLU 14 -18.138 11.393 18.723 37 HA GLU 14 HA GLU 14 -17.095 13.789 19.914 38 HB2 GLU 14 HB2 GLU 14 -17.221 11.510 21.024 39 HB3 GLU 14 HB3 GLU 14 -15.861 11.032 20.010 40 HG2 GLU 14 HG2 GLU 14 -14.542 12.931 20.918 41 HG3 GLU 14 HG3 GLU 14 -15.895 13.348 21.969 42 H ARG 15 H ARG 15 -15.641 11.297 17.812 43 HA ARG 15 HA ARG 15 -13.172 12.455 17.385 44 HB2 ARG 15 HB2 ARG 15 -13.894 10.204 16.576 45 HB3 ARG 15 HB3 ARG 15 -14.807 10.999 15.295 46 HG2 ARG 15 HG2 ARG 15 -12.795 11.953 14.359 47 HG3 ARG 15 HG3 ARG 15 -11.836 11.406 15.735 48 HD2 ARG 15 HD2 ARG 15 -11.800 9.996 13.533 49 HD3 ARG 15 HD3 ARG 15 -11.941 9.157 15.076 50 HE ARG 15 HE ARG 15 -14.500 9.818 13.935 51 HH11 ARG 15 HH21 ARG 15 -11.845 7.599 13.937 52 HH12 ARG 15 HH22 ARG 15 -12.784 6.261 13.368 53 HH21 ARG 15 HH11 ARG 15 -15.739 8.066 13.190 54 HH22 ARG 15 HH12 ARG 15 -14.988 6.524 12.945 55 H VAL 16 H VAL 16 -16.257 13.231 15.873 56 HA VAL 16 HA VAL 16 -15.531 14.708 13.688 57 HB VAL 16 HB VAL 16 -17.684 15.423 15.695 58 HG11 VAL 16 HG11 VAL 16 -17.320 17.305 14.249 59 HG12 VAL 16 HG12 VAL 16 -18.728 16.452 13.616 60 HG13 VAL 16 HG13 VAL 16 -17.159 16.264 12.834 61 HG21 VAL 16 HG21 VAL 16 -17.858 13.829 13.121 62 HG22 VAL 16 HG22 VAL 16 -19.144 14.089 14.299 63 HG23 VAL 16 HG23 VAL 16 -17.750 13.095 14.721 64 H THR 17 H THR 17 -14.821 15.405 16.971 65 HA THR 17 HA THR 17 -14.304 18.247 16.525 66 HB THR 17 HB THR 17 -13.849 16.469 18.933 67 HG1 THR 17 HG1 THR 17 -15.791 17.052 19.489 68 HG21 THR 17 HG21 THR 17 -13.697 18.762 20.071 69 HG22 THR 17 HG22 THR 17 -13.471 19.430 18.455 70 HG23 THR 17 HG23 THR 17 -12.306 18.275 19.103 71 H GLU 18 H GLU 18 -12.532 15.226 16.964 72 HA GLU 18 HA GLU 18 -9.960 16.378 17.222 73 HB2 GLU 18 HB2 GLU 18 -10.751 13.621 16.255 74 HB3 GLU 18 HB3 GLU 18 -9.133 14.103 16.762 75 HG2 GLU 18 HG2 GLU 18 -10.204 14.809 18.980 76 HG3 GLU 18 HG3 GLU 18 -11.638 13.935 18.446 77 H ILE 19 H ILE 19 -11.846 15.382 14.412 78 HA ILE 19 HA ILE 19 -9.767 15.355 12.520 79 HB ILE 19 HB ILE 19 -11.618 15.838 10.857 80 HG12 ILE 19 HG12 ILE 19 -13.403 15.605 13.283 81 HG13 ILE 19 HG13 ILE 19 -12.948 17.164 12.598 82 HG21 ILE 19 HG21 ILE 19 -12.738 13.668 11.282 83 HG22 ILE 19 HG22 ILE 19 -12.054 13.645 12.908 84 HG23 ILE 19 HG23 ILE 19 -10.992 13.549 11.504 85 HD11 ILE 19 HD11 ILE 19 -14.349 14.920 11.113 86 HD12 ILE 19 HD12 ILE 19 -13.875 16.466 10.413 87 HD13 ILE 19 HD13 ILE 19 -15.106 16.411 11.675 88 H PHE 20 H PHE 20 -11.484 18.002 14.004 89 HA PHE 20 HA PHE 20 -10.653 19.971 12.063 90 HB2 PHE 20 HB2 PHE 20 -11.929 20.129 14.797 91 HB3 PHE 20 HB3 PHE 20 -11.441 21.572 13.912 92 HD1 PHE 20 HD1 PHE 20 -12.196 21.605 11.355 93 HD2 PHE 20 HD2 PHE 20 -14.122 19.354 14.465 94 HE1 PHE 20 HE1 PHE 20 -14.273 21.515 10.004 95 HE2 PHE 20 HE2 PHE 20 -16.197 19.256 13.109 96 HZ PHE 20 HZ PHE 20 -16.274 20.342 10.882 97 H LYS 21 H LYS 21 -9.660 19.079 15.366 98 HA LYS 21 HA LYS 21 -7.697 20.991 15.796 99 HB2 LYS 21 HB2 LYS 21 -7.533 18.071 16.578 100 HB3 LYS 21 HB3 LYS 21 -6.675 19.407 17.338 101 HG2 LYS 21 HG2 LYS 21 -9.696 19.178 17.202 102 HG3 LYS 21 HG3 LYS 21 -8.729 18.678 18.587 103 HD2 LYS 21 HD2 LYS 21 -7.776 21.121 18.483 104 HD3 LYS 21 HD3 LYS 21 -9.207 21.456 17.510 105 HE2 LYS 21 HE2 LYS 21 -9.124 20.416 20.348 106 HE3 LYS 21 HE3 LYS 21 -9.778 21.954 19.787 107 HZ1 LYS 21 HZ1 LYS 21 -11.307 19.872 20.204 108 HZ2 LYS 21 HZ2 LYS 21 -10.853 19.505 18.608 109 HZ3 LYS 21 HZ3 LYS 21 -11.630 20.975 18.955 110 H ALA 22 H ALA 22 -7.745 18.424 13.511 111 HA ALA 22 HA ALA 22 -4.939 18.103 13.140 112 HB1 ALA 22 HB1 ALA 22 -7.164 17.693 11.127 113 HB2 ALA 22 HB2 ALA 22 -6.648 16.490 12.309 114 HB3 ALA 22 HB3 ALA 22 -5.537 17.019 11.046 115 H LEU 23 H LEU 23 -7.373 20.260 11.769 116 HA LEU 23 HA LEU 23 -5.601 21.477 9.858 117 HB2 LEU 23 HB2 LEU 23 -8.312 22.195 10.977 118 HB3 LEU 23 HB3 LEU 23 -7.452 23.276 9.882 119 HG LEU 23 HG LEU 23 -7.302 21.433 8.221 120 HD11 LEU 23 HD11 LEU 23 -7.386 19.445 9.492 121 HD12 LEU 23 HD12 LEU 23 -8.952 19.487 8.688 122 HD13 LEU 23 HD13 LEU 23 -8.818 19.965 10.380 123 HD21 LEU 23 HD21 LEU 23 -9.785 21.376 7.710 124 HD22 LEU 23 HD22 LEU 23 -9.119 22.988 7.968 125 HD23 LEU 23 HD23 LEU 23 -10.045 22.201 9.246 126 H GLY 24 H GLY 24 -5.924 21.605 13.189 127 HA2 GLY 24 HA2 GLY 24 -5.568 24.179 14.029 128 HA3 GLY 24 HA3 GLY 24 -4.736 22.817 14.772 129 H ASP 25 H ASP 25 -3.378 22.285 12.125 130 HA ASP 25 HA ASP 25 -1.059 23.934 12.618 131 HB2 ASP 25 HB2 ASP 25 -1.659 21.791 10.571 132 HB3 ASP 25 HB3 ASP 25 -0.107 22.621 10.694 133 H TYR 26 H TYR 26 -0.189 25.495 11.293 134 HA TYR 26 HA TYR 26 -2.076 26.855 9.527 135 HB2 TYR 26 HB2 TYR 26 -0.694 28.054 11.259 136 HB3 TYR 26 HB3 TYR 26 0.731 27.680 10.288 137 HD1 TYR 26 HD1 TYR 26 -2.485 29.518 10.352 138 HD2 TYR 26 HD2 TYR 26 1.167 28.812 8.205 139 HE1 TYR 26 HE1 TYR 26 -2.965 31.467 8.895 140 HE2 TYR 26 HE2 TYR 26 0.687 30.760 6.747 141 HH TYR 26 HH TYR 26 -0.992 33.088 7.290 142 H ASN 27 H ASN 27 1.427 26.316 9.212 143 HA ASN 27 HA ASN 27 1.686 26.661 6.527 144 HB2 ASN 27 HB2 ASN 27 3.561 26.250 8.100 145 HB3 ASN 27 HB3 ASN 27 3.133 24.540 8.127 146 HD21 ASN 27 HD21 ASN 27 4.424 23.351 6.725 147 HD22 ASN 27 HD22 ASN 27 5.031 23.912 5.242 148 H ARG 28 H ARG 28 -0.105 24.182 8.006 149 HA ARG 28 HA ARG 28 0.216 22.196 5.962 150 HB2 ARG 28 HB2 ARG 28 -0.638 22.061 8.484 151 HB3 ARG 28 HB3 ARG 28 -2.213 22.259 7.734 152 HG2 ARG 28 HG2 ARG 28 -0.178 20.095 7.120 153 HG3 ARG 28 HG3 ARG 28 -1.704 19.885 7.975 154 HD2 ARG 28 HD2 ARG 28 -1.240 20.460 5.059 155 HD3 ARG 28 HD3 ARG 28 -2.217 19.192 5.791 156 HE ARG 28 HE ARG 28 -3.089 21.841 5.160 157 HH11 ARG 28 HH21 ARG 28 -3.379 19.256 7.443 158 HH12 ARG 28 HH22 ARG 28 -5.000 19.659 7.902 159 HH21 ARG 28 HH11 ARG 28 -5.208 22.382 5.762 160 HH22 ARG 28 HH12 ARG 28 -6.040 21.422 6.940 161 H ILE 29 H ILE 29 -2.215 24.686 6.678 162 HA ILE 29 HA ILE 29 -4.094 23.957 4.762 163 HB ILE 29 HB ILE 29 -4.274 25.737 6.602 164 HG12 ILE 29 HG12 ILE 29 -5.902 27.091 5.229 165 HG13 ILE 29 HG13 ILE 29 -5.321 26.241 3.803 166 HG21 ILE 29 HG21 ILE 29 -2.233 26.992 5.599 167 HG22 ILE 29 HG22 ILE 29 -3.600 27.943 6.174 168 HG23 ILE 29 HG23 ILE 29 -3.389 27.652 4.447 169 HD11 ILE 29 HD11 ILE 29 -7.454 25.406 5.189 170 HD12 ILE 29 HD12 ILE 29 -6.218 24.554 6.110 171 HD13 ILE 29 HD13 ILE 29 -6.375 24.279 4.374 172 H ARG 30 H ARG 30 -1.211 26.006 4.412 173 HA ARG 30 HA ARG 30 -1.750 26.819 1.752 174 HB2 ARG 30 HB2 ARG 30 0.892 26.575 3.213 175 HB3 ARG 30 HB3 ARG 30 0.639 27.445 1.701 176 HG2 ARG 30 HG2 ARG 30 -1.150 28.790 2.936 177 HG3 ARG 30 HG3 ARG 30 -0.521 28.076 4.421 178 HD2 ARG 30 HD2 ARG 30 1.707 28.981 3.936 179 HD3 ARG 30 HD3 ARG 30 1.119 29.656 2.419 180 HE ARG 30 HE ARG 30 -0.487 30.638 4.516 181 HH11 ARG 30 HH21 ARG 30 2.745 30.788 3.291 182 HH12 ARG 30 HH22 ARG 30 3.039 32.392 3.872 183 HH21 ARG 30 HH11 ARG 30 -0.113 32.744 5.278 184 HH22 ARG 30 HH12 ARG 30 1.420 33.501 4.998 185 H ILE 31 H ILE 31 -0.193 23.982 3.119 186 HA ILE 31 HA ILE 31 0.952 23.094 0.637 187 HB ILE 31 HB ILE 31 0.433 21.640 3.242 188 HG12 ILE 31 HG12 ILE 31 3.042 22.619 2.061 189 HG13 ILE 31 HG13 ILE 31 2.073 23.604 3.157 190 HG21 ILE 31 HG21 ILE 31 1.852 20.824 0.698 191 HG22 ILE 31 HG22 ILE 31 0.571 19.962 1.548 192 HG23 ILE 31 HG23 ILE 31 2.186 20.055 2.250 193 HD11 ILE 31 HD11 ILE 31 3.925 22.201 4.237 194 HD12 ILE 31 HD12 ILE 31 2.938 20.791 3.856 195 HD13 ILE 31 HD13 ILE 31 2.316 22.035 4.939 196 H MET 32 H MET 32 -2.052 22.519 2.383 197 HA MET 32 HA MET 32 -2.974 20.314 0.887 198 HB2 MET 32 HB2 MET 32 -3.935 21.238 3.059 199 HB3 MET 32 HB3 MET 32 -4.734 22.463 2.073 200 HG2 MET 32 HG2 MET 32 -5.707 20.566 0.696 201 HG3 MET 32 HG3 MET 32 -5.091 19.459 1.923 202 HE1 MET 32 HE1 MET 32 -7.764 19.097 1.324 203 HE2 MET 32 HE2 MET 32 -8.288 20.704 0.823 204 HE3 MET 32 HE3 MET 32 -9.049 19.922 2.209 205 H GLU 33 H GLU 33 -3.261 23.804 0.375 206 HA GLU 33 HA GLU 33 -5.088 23.778 -1.740 207 HB2 GLU 33 HB2 GLU 33 -2.804 25.679 -1.167 208 HB3 GLU 33 HB3 GLU 33 -4.075 25.979 -2.351 209 HG2 GLU 33 HG2 GLU 33 -4.674 25.351 0.546 210 HG3 GLU 33 HG3 GLU 33 -4.440 26.998 -0.034 211 H LEU 34 H LEU 34 -1.577 24.324 -2.126 212 HA LEU 34 HA LEU 34 -1.514 24.006 -4.863 213 HB2 LEU 34 HB2 LEU 34 0.919 23.374 -4.556 214 HB3 LEU 34 HB3 LEU 34 0.406 24.900 -3.859 215 HG LEU 34 HG LEU 34 0.064 23.556 -1.656 216 HD11 LEU 34 HD11 LEU 34 0.267 21.291 -2.362 217 HD12 LEU 34 HD12 LEU 34 1.770 21.646 -1.526 218 HD13 LEU 34 HD13 LEU 34 1.732 21.622 -3.286 219 HD21 LEU 34 HD21 LEU 34 2.805 24.090 -2.826 220 HD22 LEU 34 HD22 LEU 34 2.499 23.780 -1.117 221 HD23 LEU 34 HD23 LEU 34 1.815 25.210 -1.890 222 H LEU 35 H LEU 35 -2.211 21.620 -2.596 223 HA LEU 35 HA LEU 35 -1.193 19.373 -4.111 224 HB2 LEU 35 HB2 LEU 35 -1.686 19.583 -1.532 225 HB3 LEU 35 HB3 LEU 35 -3.324 19.138 -1.990 226 HG LEU 35 HG LEU 35 -0.796 17.554 -2.531 227 HD11 LEU 35 HD11 LEU 35 -1.631 17.416 -0.221 228 HD12 LEU 35 HD12 LEU 35 -1.893 15.889 -1.064 229 HD13 LEU 35 HD13 LEU 35 -3.238 17.002 -0.819 230 HD21 LEU 35 HD21 LEU 35 -2.532 15.833 -3.352 231 HD22 LEU 35 HD22 LEU 35 -2.171 17.179 -4.428 232 HD23 LEU 35 HD23 LEU 35 -3.648 17.193 -3.463 233 H SER 36 H SER 36 -4.482 20.470 -3.244 234 HA SER 36 HA SER 36 -5.961 18.816 -4.870 235 HB2 SER 36 HB2 SER 36 -6.964 20.406 -3.284 236 HB3 SER 36 HB3 SER 36 -6.482 21.749 -4.321 237 HG SER 36 HG SER 36 -7.895 19.699 -5.532 238 H VAL 37 H VAL 37 -4.266 21.792 -5.760 239 HA VAL 37 HA VAL 37 -5.254 22.049 -8.382 240 HB VAL 37 HB VAL 37 -2.557 22.823 -7.242 241 HG11 VAL 37 HG11 VAL 37 -2.653 24.484 -9.184 242 HG12 VAL 37 HG12 VAL 37 -3.950 23.489 -9.845 243 HG13 VAL 37 HG13 VAL 37 -2.339 22.806 -9.624 244 HG21 VAL 37 HG21 VAL 37 -4.519 23.849 -6.121 245 HG22 VAL 37 HG22 VAL 37 -5.101 24.418 -7.686 246 HG23 VAL 37 HG23 VAL 37 -3.590 25.044 -7.026 247 H SER 38 H SER 38 -2.622 20.131 -7.033 248 HA SER 38 HA SER 38 -2.696 18.271 -9.191 249 HB2 SER 38 HB2 SER 38 -0.551 18.691 -10.205 250 HB3 SER 38 HB3 SER 38 -1.472 20.192 -10.260 251 HG SER 38 HG SER 38 -0.308 20.965 -8.550 252 H GLU 39 H GLU 39 -1.177 16.497 -8.882 253 HA GLU 39 HA GLU 39 -0.854 15.756 -6.179 254 HB2 GLU 39 HB2 GLU 39 0.724 14.656 -8.512 255 HB3 GLU 39 HB3 GLU 39 0.307 13.833 -7.009 256 HG2 GLU 39 HG2 GLU 39 -2.119 14.080 -7.629 257 HG3 GLU 39 HG3 GLU 39 -1.605 14.716 -9.190 258 H ALA 40 H ALA 40 1.295 15.187 -5.185 259 HA ALA 40 HA ALA 40 3.584 16.766 -6.020 260 HB1 ALA 40 HB1 ALA 40 3.715 18.010 -3.873 261 HB2 ALA 40 HB2 ALA 40 2.119 17.393 -3.446 262 HB3 ALA 40 HB3 ALA 40 2.308 18.466 -4.834 263 H SER 41 H SER 41 5.354 15.646 -5.581 264 HA SER 41 HA SER 41 5.239 13.275 -3.942 265 HB2 SER 41 HB2 SER 41 6.611 13.523 -6.059 266 HB3 SER 41 HB3 SER 41 7.697 14.565 -5.139 267 HG SER 41 HG SER 41 7.664 11.931 -5.229 268 H VAL 42 H VAL 42 7.862 13.361 -2.852 269 HA VAL 42 HA VAL 42 7.333 14.637 -0.360 270 HB VAL 42 HB VAL 42 9.888 13.455 -1.477 271 HG11 VAL 42 HG11 VAL 42 9.130 14.448 1.278 272 HG12 VAL 42 HG12 VAL 42 10.514 14.930 0.297 273 HG13 VAL 42 HG13 VAL 42 10.457 13.319 1.010 274 HG21 VAL 42 HG21 VAL 42 7.919 11.911 -1.213 275 HG22 VAL 42 HG22 VAL 42 7.888 12.324 0.502 276 HG23 VAL 42 HG23 VAL 42 9.287 11.495 -0.181 277 H GLY 43 H GLY 43 10.010 15.202 -2.657 278 HA2 GLY 43 HA2 GLY 43 10.863 17.620 -1.523 279 HA3 GLY 43 HA3 GLY 43 11.201 17.099 -3.170 280 H HIS 44 H HIS 44 8.425 16.957 -4.002 281 HA HIS 44 HA HIS 44 8.063 19.439 -5.115 282 HB2 HIS 44 HB2 HIS 44 6.037 17.318 -4.388 283 HB3 HIS 44 HB3 HIS 44 5.626 18.752 -5.328 284 HD1 HIS 44 HD1 HIS 44 5.123 16.982 -7.302 285 HD2 HIS 44 HD2 HIS 44 9.123 17.353 -6.185 286 HE1 HIS 44 HE1 HIS 44 6.484 15.942 -9.165 287 HE2 HIS 44 HE2 HIS 44 8.924 16.158 -8.500 288 H ILE 45 H ILE 45 7.192 18.386 -1.891 289 HA ILE 45 HA ILE 45 5.374 20.533 -1.366 290 HB ILE 45 HB ILE 45 6.867 18.675 0.500 291 HG12 ILE 45 HG12 ILE 45 3.948 18.675 -0.305 292 HG13 ILE 45 HG13 ILE 45 5.168 17.733 -1.162 293 HG21 ILE 45 HG21 ILE 45 6.276 20.583 1.798 294 HG22 ILE 45 HG22 ILE 45 4.987 19.414 2.085 295 HG23 ILE 45 HG23 ILE 45 4.727 20.758 0.973 296 HD11 ILE 45 HD11 ILE 45 5.637 16.402 0.745 297 HD12 ILE 45 HD12 ILE 45 3.880 16.535 0.718 298 HD13 ILE 45 HD13 ILE 45 4.820 17.525 1.832 299 H SER 46 H SER 46 8.712 19.893 -0.242 300 HA SER 46 HA SER 46 9.030 22.484 0.919 301 HB2 SER 46 HB2 SER 46 11.373 21.856 1.164 302 HB3 SER 46 HB3 SER 46 10.348 20.496 1.618 303 HG SER 46 HG SER 46 11.904 19.714 0.258 304 H HIS 47 H HIS 47 8.766 21.537 -2.219 305 HA HIS 47 HA HIS 47 10.695 22.418 -3.795 306 HB2 HIS 47 HB2 HIS 47 8.509 21.689 -4.635 307 HB3 HIS 47 HB3 HIS 47 7.805 23.233 -4.158 308 HD1 HIS 47 HD1 HIS 47 11.181 22.724 -5.819 309 HD2 HIS 47 HD2 HIS 47 7.455 24.387 -6.683 310 HE1 HIS 47 HE1 HIS 47 11.429 23.924 -8.033 311 HE2 HIS 47 HE2 HIS 47 9.168 24.941 -8.578 312 H GLN 48 H GLN 48 8.423 24.751 -2.239 313 HA GLN 48 HA GLN 48 10.130 26.967 -3.168 314 HB2 GLN 48 HB2 GLN 48 7.394 26.928 -1.877 315 HB3 GLN 48 HB3 GLN 48 8.266 28.380 -2.370 316 HG2 GLN 48 HG2 GLN 48 8.316 27.561 -4.699 317 HG3 GLN 48 HG3 GLN 48 7.439 26.113 -4.207 318 HE21 GLN 48 HE21 GLN 48 5.817 27.827 -2.237 319 HE22 GLN 48 HE22 GLN 48 4.675 28.609 -3.219 320 H LEU 49 H LEU 49 8.689 25.589 -0.225 321 HA LEU 49 HA LEU 49 9.707 27.419 1.621 322 HB2 LEU 49 HB2 LEU 49 9.389 24.471 2.182 323 HB3 LEU 49 HB3 LEU 49 9.190 25.820 3.299 324 HG LEU 49 HG LEU 49 7.405 25.119 0.951 325 HD11 LEU 49 HD11 LEU 49 5.695 24.941 2.767 326 HD12 LEU 49 HD12 LEU 49 6.975 25.207 3.952 327 HD13 LEU 49 HD13 LEU 49 7.000 23.766 2.934 328 HD21 LEU 49 HD21 LEU 49 6.038 27.087 1.914 329 HD22 LEU 49 HD22 LEU 49 7.463 27.493 0.961 330 HD23 LEU 49 HD23 LEU 49 7.530 27.566 2.721 331 H ASN 50 H ASN 50 11.053 24.205 0.820 332 HA ASN 50 HA ASN 50 13.187 23.371 0.999 333 HB2 ASN 50 HB2 ASN 50 14.027 26.254 0.625 334 HB3 ASN 50 HB3 ASN 50 14.979 24.813 0.270 335 HD21 ASN 50 HD21 ASN 50 15.111 24.739 -1.990 336 HD22 ASN 50 HD22 ASN 50 13.780 24.876 -3.034 337 H LEU 51 H LEU 51 13.099 22.741 3.148 338 HA LEU 51 HA LEU 51 14.705 24.370 5.004 339 HB2 LEU 51 HB2 LEU 51 12.461 24.982 5.604 340 HB3 LEU 51 HB3 LEU 51 11.922 23.308 5.538 341 HG LEU 51 HG LEU 51 13.210 22.737 7.493 342 HD11 LEU 51 HD11 LEU 51 14.422 25.476 7.094 343 HD12 LEU 51 HD12 LEU 51 15.245 23.923 7.237 344 HD13 LEU 51 HD13 LEU 51 14.499 24.656 8.654 345 HD21 LEU 51 HD21 LEU 51 11.024 23.983 7.770 346 HD22 LEU 51 HD22 LEU 51 11.971 25.447 8.025 347 HD23 LEU 51 HD23 LEU 51 12.115 24.097 9.149 348 H SER 52 H SER 52 12.754 21.376 5.097 349 HA SER 52 HA SER 52 15.150 19.741 5.360 350 HB2 SER 52 HB2 SER 52 13.138 19.979 7.612 351 HB3 SER 52 HB3 SER 52 14.413 18.764 7.517 352 HG SER 52 HG SER 52 15.602 20.221 8.428 353 H GLN 53 H GLN 53 14.792 18.007 4.160 354 HA GLN 53 HA GLN 53 12.161 17.292 3.262 355 HB2 GLN 53 HB2 GLN 53 14.824 15.882 2.953 356 HB3 GLN 53 HB3 GLN 53 13.339 15.434 2.113 357 HG2 GLN 53 HG2 GLN 53 13.244 17.726 1.135 358 HG3 GLN 53 HG3 GLN 53 14.782 18.094 1.911 359 HE21 GLN 53 HE21 GLN 53 13.846 17.618 -1.067 360 HE22 GLN 53 HE22 GLN 53 15.056 16.591 -1.667 361 H SER 54 H SER 54 14.423 16.066 5.667 362 HA SER 54 HA SER 54 13.202 13.596 6.211 363 HB2 SER 54 HB2 SER 54 14.554 15.388 8.239 364 HB3 SER 54 HB3 SER 54 14.401 13.633 8.295 365 HG SER 54 HG SER 54 15.604 14.822 6.067 366 H ASN 55 H ASN 55 12.299 16.846 7.030 367 HA ASN 55 HA ASN 55 10.467 16.130 9.136 368 HB2 ASN 55 HB2 ASN 55 10.850 18.663 7.530 369 HB3 ASN 55 HB3 ASN 55 9.683 18.504 8.840 370 HD21 ASN 55 HD21 ASN 55 11.426 20.395 9.472 371 HD22 ASN 55 HD22 ASN 55 12.664 19.851 10.496 372 H VAL 56 H VAL 56 10.236 16.867 5.683 373 HA VAL 56 HA VAL 56 7.436 16.903 5.448 374 HB VAL 56 HB VAL 56 9.539 16.028 3.449 375 HG11 VAL 56 HG11 VAL 56 7.417 15.178 2.708 376 HG12 VAL 56 HG12 VAL 56 7.714 16.660 1.800 377 HG13 VAL 56 HG13 VAL 56 6.593 16.670 3.162 378 HG21 VAL 56 HG21 VAL 56 8.111 18.667 3.897 379 HG22 VAL 56 HG22 VAL 56 9.237 18.329 2.582 380 HG23 VAL 56 HG23 VAL 56 9.808 18.340 4.252 381 H SER 57 H SER 57 9.758 14.231 5.327 382 HA SER 57 HA SER 57 7.941 12.193 4.600 383 HB2 SER 57 HB2 SER 57 9.634 10.653 5.306 384 HB3 SER 57 HB3 SER 57 10.471 12.042 4.615 385 HG SER 57 HG SER 57 10.053 11.428 7.347 386 H HIS 58 H HIS 58 8.772 13.660 7.687 387 HA HIS 58 HA HIS 58 7.400 11.726 9.295 388 HB2 HIS 58 HB2 HIS 58 9.259 13.280 10.063 389 HB3 HIS 58 HB3 HIS 58 8.063 14.576 10.053 390 HD1 HIS 58 HD1 HIS 58 7.982 10.976 11.342 391 HD2 HIS 58 HD2 HIS 58 7.111 14.846 12.624 392 HE1 HIS 58 HE1 HIS 58 7.088 10.764 13.699 393 HE2 HIS 58 HE2 HIS 58 6.561 13.114 14.501 394 H GLN 59 H GLN 59 6.660 15.176 8.728 395 HA GLN 59 HA GLN 59 4.101 15.214 9.760 396 HB2 GLN 59 HB2 GLN 59 5.290 16.749 7.443 397 HB3 GLN 59 HB3 GLN 59 3.695 17.098 8.110 398 HG2 GLN 59 HG2 GLN 59 4.637 17.591 10.279 399 HG3 GLN 59 HG3 GLN 59 6.229 17.032 9.770 400 HE21 GLN 59 HE21 GLN 59 7.124 19.202 10.241 401 HE22 GLN 59 HE22 GLN 59 6.828 20.499 9.187 402 H LEU 60 H LEU 60 5.036 14.567 6.382 403 HA LEU 60 HA LEU 60 2.558 14.223 5.253 404 HB2 LEU 60 HB2 LEU 60 4.585 14.144 3.926 405 HB3 LEU 60 HB3 LEU 60 5.102 12.667 4.730 406 HG LEU 60 HG LEU 60 3.255 11.424 3.755 407 HD11 LEU 60 HD11 LEU 60 1.845 12.714 1.983 408 HD12 LEU 60 HD12 LEU 60 2.360 14.160 2.849 409 HD13 LEU 60 HD13 LEU 60 1.429 12.915 3.680 410 HD21 LEU 60 HD21 LEU 60 4.765 13.174 1.799 411 HD22 LEU 60 HD22 LEU 60 3.807 11.777 1.310 412 HD23 LEU 60 HD23 LEU 60 5.208 11.561 2.360 413 H LYS 61 H LYS 61 4.372 11.934 7.244 414 HA LYS 61 HA LYS 61 2.621 9.730 6.807 415 HB2 LYS 61 HB2 LYS 61 4.957 9.492 7.607 416 HB3 LYS 61 HB3 LYS 61 4.498 10.257 9.124 417 HG2 LYS 61 HG2 LYS 61 4.509 7.863 9.441 418 HG3 LYS 61 HG3 LYS 61 2.842 8.415 9.500 419 HD2 LYS 61 HD2 LYS 61 2.320 7.506 7.401 420 HD3 LYS 61 HD3 LYS 61 4.005 7.477 6.880 421 HE2 LYS 61 HE2 LYS 61 4.486 5.635 8.382 422 HE3 LYS 61 HE3 LYS 61 2.877 5.743 9.095 423 HZ1 LYS 61 HZ1 LYS 61 3.231 3.986 7.330 424 HZ2 LYS 61 HZ2 LYS 61 3.282 5.258 6.205 425 HZ3 LYS 61 HZ3 LYS 61 1.883 4.997 7.132 426 H LEU 62 H LEU 62 2.732 12.347 9.167 427 HA LEU 62 HA LEU 62 0.886 11.315 11.009 428 HB2 LEU 62 HB2 LEU 62 2.272 13.257 11.516 429 HB3 LEU 62 HB3 LEU 62 1.474 14.191 10.257 430 HG LEU 62 HG LEU 62 -0.649 14.073 11.467 431 HD11 LEU 62 HD11 LEU 62 -0.450 13.142 13.906 432 HD12 LEU 62 HD12 LEU 62 0.920 12.235 13.271 433 HD13 LEU 62 HD13 LEU 62 -0.687 12.008 12.583 434 HD21 LEU 62 HD21 LEU 62 0.072 15.336 13.529 435 HD22 LEU 62 HD22 LEU 62 0.777 15.929 12.026 436 HD23 LEU 62 HD23 LEU 62 1.739 14.932 13.116 437 H LEU 63 H LEU 63 0.431 13.142 8.018 438 HA LEU 63 HA LEU 63 -2.368 13.560 8.318 439 HB2 LEU 63 HB2 LEU 63 -0.906 13.338 5.687 440 HB3 LEU 63 HB3 LEU 63 -2.342 14.290 6.059 441 HG LEU 63 HG LEU 63 0.465 14.757 7.107 442 HD11 LEU 63 HD11 LEU 63 -0.035 15.494 4.766 443 HD12 LEU 63 HD12 LEU 63 0.320 16.838 5.851 444 HD13 LEU 63 HD13 LEU 63 -1.347 16.489 5.399 445 HD21 LEU 63 HD21 LEU 63 -2.201 15.978 7.844 446 HD22 LEU 63 HD22 LEU 63 -0.688 16.854 8.080 447 HD23 LEU 63 HD23 LEU 63 -0.961 15.328 8.916 448 H LYS 64 H LYS 64 -0.476 10.824 7.429 449 HA LYS 64 HA LYS 64 -2.489 9.452 5.913 450 HB2 LYS 64 HB2 LYS 64 0.010 8.979 5.862 451 HB3 LYS 64 HB3 LYS 64 -0.198 8.185 7.424 452 HG2 LYS 64 HG2 LYS 64 -1.907 6.692 6.412 453 HG3 LYS 64 HG3 LYS 64 -1.632 7.460 4.849 454 HD2 LYS 64 HD2 LYS 64 0.822 6.818 5.110 455 HD3 LYS 64 HD3 LYS 64 0.323 5.817 6.474 456 HE2 LYS 64 HE2 LYS 64 -0.792 5.592 3.661 457 HE3 LYS 64 HE3 LYS 64 0.433 4.523 4.348 458 HZ1 LYS 64 HZ1 LYS 64 -1.631 3.459 4.645 459 HZ2 LYS 64 HZ2 LYS 64 -2.375 4.871 5.228 460 HZ3 LYS 64 HZ3 LYS 64 -1.209 4.072 6.170 461 H SER 65 H SER 65 -1.884 9.974 9.264 462 HA SER 65 HA SER 65 -3.257 7.675 10.273 463 HB2 SER 65 HB2 SER 65 -3.122 8.766 12.420 464 HB3 SER 65 HB3 SER 65 -1.599 9.041 11.574 465 HG SER 65 HG SER 65 -2.008 11.092 11.548 466 H VAL 66 H VAL 66 -4.186 11.131 10.222 467 HA VAL 66 HA VAL 66 -6.860 10.729 10.980 468 HB VAL 66 HB VAL 66 -5.959 12.948 9.143 469 HG11 VAL 66 HG11 VAL 66 -8.346 12.864 9.766 470 HG12 VAL 66 HG12 VAL 66 -7.554 14.251 10.512 471 HG13 VAL 66 HG13 VAL 66 -7.901 12.812 11.471 472 HG21 VAL 66 HG21 VAL 66 -5.317 14.122 11.317 473 HG22 VAL 66 HG22 VAL 66 -4.213 12.858 10.774 474 HG23 VAL 66 HG23 VAL 66 -5.355 12.531 12.078 475 H HIS 67 H HIS 67 -5.300 9.730 8.232 476 HA HIS 67 HA HIS 67 -6.007 8.704 6.327 477 HB2 HIS 67 HB2 HIS 67 -7.745 7.830 8.020 478 HB3 HIS 67 HB3 HIS 67 -8.850 8.994 7.295 479 HD1 HIS 67 HD1 HIS 67 -9.729 6.218 6.886 480 HD2 HIS 67 HD2 HIS 67 -6.950 7.967 4.314 481 HE1 HIS 67 HE1 HIS 67 -9.798 4.878 4.739 482 HE2 HIS 67 HE2 HIS 67 -8.118 5.938 3.158 483 H LEU 68 H LEU 68 -6.369 11.831 6.875 484 HA LEU 68 HA LEU 68 -8.323 12.708 5.044 485 HB2 LEU 68 HB2 LEU 68 -5.742 14.006 5.941 486 HB3 LEU 68 HB3 LEU 68 -6.973 14.831 4.994 487 HG LEU 68 HG LEU 68 -7.654 13.488 7.614 488 HD11 LEU 68 HD11 LEU 68 -5.848 15.052 8.122 489 HD12 LEU 68 HD12 LEU 68 -7.378 15.721 8.689 490 HD13 LEU 68 HD13 LEU 68 -6.651 16.319 7.197 491 HD21 LEU 68 HD21 LEU 68 -9.604 14.114 6.367 492 HD22 LEU 68 HD22 LEU 68 -8.914 15.679 5.939 493 HD23 LEU 68 HD23 LEU 68 -9.398 15.350 7.599 494 H VAL 69 H VAL 69 -5.474 11.026 4.486 495 HA VAL 69 HA VAL 69 -5.571 11.646 1.599 496 HB VAL 69 HB VAL 69 -3.058 11.619 3.290 497 HG11 VAL 69 HG11 VAL 69 -2.484 10.703 1.177 498 HG12 VAL 69 HG12 VAL 69 -2.081 12.413 1.041 499 HG13 VAL 69 HG13 VAL 69 -3.566 11.798 0.317 500 HG21 VAL 69 HG21 VAL 69 -4.630 13.812 1.925 501 HG22 VAL 69 HG22 VAL 69 -2.941 14.012 2.391 502 HG23 VAL 69 HG23 VAL 69 -4.165 13.708 3.623 503 H LYS 70 H LYS 70 -4.421 10.047 0.303 504 HA LYS 70 HA LYS 70 -3.957 7.429 1.574 505 HB2 LYS 70 HB2 LYS 70 -6.363 7.604 0.764 506 HB3 LYS 70 HB3 LYS 70 -5.709 7.725 -0.870 507 HG2 LYS 70 HG2 LYS 70 -4.407 5.569 -0.318 508 HG3 LYS 70 HG3 LYS 70 -5.485 5.418 1.069 509 HD2 LYS 70 HD2 LYS 70 -6.327 5.590 -1.841 510 HD3 LYS 70 HD3 LYS 70 -6.386 4.152 -0.824 511 HE2 LYS 70 HE2 LYS 70 -7.886 5.534 0.748 512 HE3 LYS 70 HE3 LYS 70 -8.034 6.671 -0.593 513 HZ1 LYS 70 HZ1 LYS 70 -9.364 5.295 -1.708 514 HZ2 LYS 70 HZ2 LYS 70 -9.575 4.487 -0.228 515 HZ3 LYS 70 HZ3 LYS 70 -8.428 3.924 -1.348 516 H ALA 71 H ALA 71 -2.299 6.361 0.683 517 HA ALA 71 HA ALA 71 -1.010 7.508 -1.734 518 HB1 ALA 71 HB1 ALA 71 0.248 5.752 0.378 519 HB2 ALA 71 HB2 ALA 71 0.240 7.514 0.470 520 HB3 ALA 71 HB3 ALA 71 1.062 6.704 -0.864 521 H LYS 72 H LYS 72 -0.029 6.050 -3.226 522 HA LYS 72 HA LYS 72 -0.923 3.237 -3.152 523 HB2 LYS 72 HB2 LYS 72 -1.538 3.437 -5.570 524 HB3 LYS 72 HB3 LYS 72 -2.600 4.352 -4.500 525 HG2 LYS 72 HG2 LYS 72 -1.284 6.401 -4.970 526 HG3 LYS 72 HG3 LYS 72 -0.262 5.479 -6.073 527 HD2 LYS 72 HD2 LYS 72 -2.259 4.931 -7.440 528 HD3 LYS 72 HD3 LYS 72 -3.254 5.901 -6.353 529 HE2 LYS 72 HE2 LYS 72 -2.712 7.318 -8.209 530 HE3 LYS 72 HE3 LYS 72 -1.699 7.852 -6.869 531 HZ1 LYS 72 HZ1 LYS 72 -0.086 7.636 -8.401 532 HZ2 LYS 72 HZ2 LYS 72 -0.957 6.521 -9.342 533 HZ3 LYS 72 HZ3 LYS 72 -0.137 6.001 -7.948 534 H ARG 73 H ARG 73 0.322 1.854 -4.544 535 HA ARG 73 HA ARG 73 3.095 2.753 -4.801 536 HB2 ARG 73 HB2 ARG 73 2.406 0.524 -3.782 537 HB3 ARG 73 HB3 ARG 73 1.986 0.013 -5.416 538 HG2 ARG 73 HG2 ARG 73 4.331 0.666 -6.118 539 HG3 ARG 73 HG3 ARG 73 4.704 0.895 -4.409 540 HD2 ARG 73 HD2 ARG 73 3.953 -1.653 -5.839 541 HD3 ARG 73 HD3 ARG 73 5.386 -1.326 -4.869 542 HE ARG 73 HE ARG 73 3.316 -1.024 -3.104 543 HH11 ARG 73 HH21 ARG 73 4.356 -3.473 -5.317 544 HH12 ARG 73 HH22 ARG 73 3.748 -4.786 -4.365 545 HH21 ARG 73 HH11 ARG 73 2.510 -2.742 -1.853 546 HH22 ARG 73 HH12 ARG 73 2.701 -4.373 -2.405 547 H GLN 74 H GLN 74 4.197 2.945 -6.695 548 HA GLN 74 HA GLN 74 3.029 2.096 -9.220 549 HB2 GLN 74 HB2 GLN 74 2.060 4.392 -8.713 550 HB3 GLN 74 HB3 GLN 74 3.704 5.018 -8.841 551 HG2 GLN 74 HG2 GLN 74 3.882 4.169 -11.127 552 HG3 GLN 74 HG3 GLN 74 2.284 3.438 -11.006 553 HE21 GLN 74 HE21 GLN 74 0.731 4.697 -12.028 554 HE22 GLN 74 HE22 GLN 74 0.740 6.393 -12.099 555 H GLY 75 H GLY 75 4.797 0.866 -9.681 556 HA2 GLY 75 HA2 GLY 75 6.899 0.480 -10.583 557 HA3 GLY 75 HA3 GLY 75 7.194 2.216 -10.541 558 H GLN 76 H GLN 76 9.058 2.475 -9.455 559 HA GLN 76 HA GLN 76 9.533 0.962 -6.956 560 HB2 GLN 76 HB2 GLN 76 11.218 1.111 -8.949 561 HB3 GLN 76 HB3 GLN 76 11.556 2.724 -8.335 562 HG2 GLN 76 HG2 GLN 76 11.954 1.648 -6.062 563 HG3 GLN 76 HG3 GLN 76 11.877 0.090 -6.880 564 HE21 GLN 76 HE21 GLN 76 14.202 -0.205 -6.265 565 HE22 GLN 76 HE22 GLN 76 15.409 0.574 -7.170 566 H SER 77 H SER 77 7.716 3.327 -7.366 567 HA SER 77 HA SER 77 8.670 4.888 -5.078 568 HB2 SER 77 HB2 SER 77 8.558 6.996 -6.165 569 HB3 SER 77 HB3 SER 77 9.509 5.970 -7.236 570 HG SER 77 HG SER 77 8.071 6.403 -8.683 571 H MET 78 H MET 78 6.965 6.495 -4.409 572 HA MET 78 HA MET 78 4.248 5.355 -4.812 573 HB2 MET 78 HB2 MET 78 3.772 6.184 -2.535 574 HB3 MET 78 HB3 MET 78 5.087 5.007 -2.543 575 HG2 MET 78 HG2 MET 78 6.692 6.976 -2.664 576 HG3 MET 78 HG3 MET 78 5.308 8.020 -2.340 577 HE1 MET 78 HE1 MET 78 7.283 4.895 0.312 578 HE2 MET 78 HE2 MET 78 8.199 6.132 -0.547 579 HE3 MET 78 HE3 MET 78 7.217 4.979 -1.450 580 H ILE 79 H ILE 79 2.560 6.727 -5.145 581 HA ILE 79 HA ILE 79 3.179 9.603 -5.607 582 HB ILE 79 HB ILE 79 1.047 7.929 -6.950 583 HG12 ILE 79 HG12 ILE 79 3.190 7.108 -7.704 584 HG13 ILE 79 HG13 ILE 79 2.515 8.125 -8.973 585 HG21 ILE 79 HG21 ILE 79 2.088 10.740 -7.365 586 HG22 ILE 79 HG22 ILE 79 0.458 10.259 -6.891 587 HG23 ILE 79 HG23 ILE 79 1.043 9.909 -8.518 588 HD11 ILE 79 HD11 ILE 79 4.745 8.851 -8.839 589 HD12 ILE 79 HD12 ILE 79 4.780 8.727 -7.082 590 HD13 ILE 79 HD13 ILE 79 3.892 10.039 -7.854 591 H TYR 80 H TYR 80 2.116 10.986 -4.366 592 HA TYR 80 HA TYR 80 -0.088 10.043 -2.660 593 HB2 TYR 80 HB2 TYR 80 1.232 12.759 -2.653 594 HB3 TYR 80 HB3 TYR 80 0.268 12.020 -1.377 595 HD1 TYR 80 HD2 TYR 80 1.141 9.608 -0.608 596 HD2 TYR 80 HD1 TYR 80 3.567 12.656 -2.418 597 HE1 TYR 80 HE2 TYR 80 3.173 8.565 0.357 598 HE2 TYR 80 HE1 TYR 80 5.598 11.613 -1.452 599 HH TYR 80 HH TYR 80 5.528 9.387 1.004 600 H SER 81 H SER 81 -2.162 10.745 -2.864 601 HA SER 81 HA SER 81 -2.829 12.999 -4.590 602 HB2 SER 81 HB2 SER 81 -3.853 10.220 -5.222 603 HB3 SER 81 HB3 SER 81 -4.252 11.710 -6.076 604 HG SER 81 HG SER 81 -2.316 11.742 -6.976 605 H LEU 82 H LEU 82 -5.423 12.865 -4.842 606 HA LEU 82 HA LEU 82 -6.427 13.349 -2.245 607 HB2 LEU 82 HB2 LEU 82 -8.147 12.788 -4.659 608 HB3 LEU 82 HB3 LEU 82 -8.485 13.855 -3.297 609 HG LEU 82 HG LEU 82 -6.393 14.263 -5.452 610 HD11 LEU 82 HD11 LEU 82 -8.891 15.792 -4.665 611 HD12 LEU 82 HD12 LEU 82 -8.674 14.838 -6.131 612 HD13 LEU 82 HD13 LEU 82 -7.736 16.312 -5.892 613 HD21 LEU 82 HD21 LEU 82 -5.389 15.070 -3.451 614 HD22 LEU 82 HD22 LEU 82 -6.919 15.711 -2.850 615 HD23 LEU 82 HD23 LEU 82 -6.103 16.495 -4.203 616 H ASP 83 H ASP 83 -7.781 12.185 -0.924 617 HA ASP 83 HA ASP 83 -7.674 9.304 -1.193 618 HB2 ASP 83 HB2 ASP 83 -7.398 10.281 1.012 619 HB3 ASP 83 HB3 ASP 83 -8.953 11.102 0.880 620 H ASP 84 H ASP 84 -9.825 11.805 -2.087 621 HA ASP 84 HA ASP 84 -11.633 10.014 -3.347 622 HB2 ASP 84 HB2 ASP 84 -12.259 9.840 -0.858 623 HB3 ASP 84 HB3 ASP 84 -12.862 11.488 -1.017 624 H ILE 85 H ILE 85 -13.566 11.229 -4.242 625 HA ILE 85 HA ILE 85 -12.633 13.690 -5.392 626 HB ILE 85 HB ILE 85 -14.902 13.674 -6.496 627 HG12 ILE 85 HG12 ILE 85 -15.176 10.961 -5.183 628 HG13 ILE 85 HG13 ILE 85 -15.958 12.407 -4.543 629 HG21 ILE 85 HG21 ILE 85 -12.988 12.627 -7.586 630 HG22 ILE 85 HG22 ILE 85 -14.412 11.613 -7.827 631 HG23 ILE 85 HG23 ILE 85 -13.203 11.165 -6.624 632 HD11 ILE 85 HD11 ILE 85 -16.341 11.235 -7.316 633 HD12 ILE 85 HD12 ILE 85 -17.058 12.746 -6.756 634 HD13 ILE 85 HD13 ILE 85 -17.519 11.220 -6.003 635 H HIS 86 H HIS 86 -14.212 12.936 -2.518 636 HA HIS 86 HA HIS 86 -15.997 15.142 -2.300 637 HB2 HIS 86 HB2 HIS 86 -14.640 13.537 -0.118 638 HB3 HIS 86 HB3 HIS 86 -16.034 14.596 0.094 639 HD1 HIS 86 HD1 HIS 86 -15.965 11.397 0.507 640 HD2 HIS 86 HD2 HIS 86 -17.557 13.444 -2.758 641 HE1 HIS 86 HE1 HIS 86 -17.658 9.844 -0.554 642 HE2 HIS 86 HE2 HIS 86 -18.641 11.076 -2.544 643 H VAL 87 H VAL 87 -12.572 14.726 -1.712 644 HA VAL 87 HA VAL 87 -12.122 16.940 -0.043 645 HB VAL 87 HB VAL 87 -10.211 15.871 -2.128 646 HG11 VAL 87 HG11 VAL 87 -8.516 16.609 -0.515 647 HG12 VAL 87 HG12 VAL 87 -9.779 17.132 0.599 648 HG13 VAL 87 HG13 VAL 87 -9.564 17.960 -0.943 649 HG21 VAL 87 HG21 VAL 87 -10.885 14.845 0.645 650 HG22 VAL 87 HG22 VAL 87 -9.464 14.344 -0.272 651 HG23 VAL 87 HG23 VAL 87 -11.079 13.978 -0.879 652 H ALA 88 H ALA 88 -12.000 16.668 -3.591 653 HA ALA 88 HA ALA 88 -11.117 19.226 -4.202 654 HB1 ALA 88 HB1 ALA 88 -11.463 17.350 -5.829 655 HB2 ALA 88 HB2 ALA 88 -12.097 18.898 -6.385 656 HB3 ALA 88 HB3 ALA 88 -13.196 17.671 -5.757 657 H THR 89 H THR 89 -14.354 18.127 -3.341 658 HA THR 89 HA THR 89 -15.613 20.639 -3.975 659 HB THR 89 HB THR 89 -16.697 18.419 -2.233 660 HG1 THR 89 HG1 THR 89 -17.525 17.599 -4.179 661 HG21 THR 89 HG21 THR 89 -18.862 19.282 -3.064 662 HG22 THR 89 HG22 THR 89 -18.009 20.529 -3.973 663 HG23 THR 89 HG23 THR 89 -17.958 20.532 -2.210 664 H MET 90 H MET 90 -15.233 18.910 -0.871 665 HA MET 90 HA MET 90 -16.028 20.832 0.879 666 HB2 MET 90 HB2 MET 90 -15.322 18.615 1.599 667 HB3 MET 90 HB3 MET 90 -13.651 18.983 1.183 668 HG2 MET 90 HG2 MET 90 -15.117 20.757 3.128 669 HG3 MET 90 HG3 MET 90 -14.434 19.227 3.675 670 HE1 MET 90 HE1 MET 90 -12.490 20.463 5.378 671 HE2 MET 90 HE2 MET 90 -13.809 21.566 4.990 672 HE3 MET 90 HE3 MET 90 -12.139 22.124 4.894 673 H LEU 91 H LEU 91 -12.886 20.661 -0.741 674 HA LEU 91 HA LEU 91 -11.608 22.719 0.683 675 HB2 LEU 91 HB2 LEU 91 -10.306 21.259 -0.705 676 HB3 LEU 91 HB3 LEU 91 -11.239 21.686 -2.135 677 HG LEU 91 HG LEU 91 -10.330 23.914 -2.161 678 HD11 LEU 91 HD11 LEU 91 -9.271 23.167 0.568 679 HD12 LEU 91 HD12 LEU 91 -10.266 24.553 0.122 680 HD13 LEU 91 HD13 LEU 91 -8.572 24.494 -0.358 681 HD21 LEU 91 HD21 LEU 91 -7.992 23.441 -2.530 682 HD22 LEU 91 HD22 LEU 91 -8.905 22.010 -3.008 683 HD23 LEU 91 HD23 LEU 91 -8.056 22.038 -1.463 684 H LYS 92 H LYS 92 -12.827 22.981 -2.664 685 HA LYS 92 HA LYS 92 -12.787 25.776 -2.758 686 HB2 LYS 92 HB2 LYS 92 -14.675 23.958 -4.273 687 HB3 LYS 92 HB3 LYS 92 -14.162 25.580 -4.740 688 HG2 LYS 92 HG2 LYS 92 -11.857 24.826 -4.988 689 HG3 LYS 92 HG3 LYS 92 -12.286 23.222 -4.395 690 HD2 LYS 92 HD2 LYS 92 -13.818 22.929 -6.318 691 HD3 LYS 92 HD3 LYS 92 -13.357 24.522 -6.919 692 HE2 LYS 92 HE2 LYS 92 -11.105 23.827 -7.314 693 HE3 LYS 92 HE3 LYS 92 -11.330 22.337 -6.396 694 HZ1 LYS 92 HZ1 LYS 92 -13.268 22.168 -8.255 695 HZ2 LYS 92 HZ2 LYS 92 -11.737 21.443 -8.387 696 HZ3 LYS 92 HZ3 LYS 92 -12.034 22.944 -9.126 697 H GLN 93 H GLN 93 -15.478 23.571 -2.019 698 HA GLN 93 HA GLN 93 -17.554 25.345 -1.805 699 HB2 GLN 93 HB2 GLN 93 -17.596 22.817 -1.494 700 HB3 GLN 93 HB3 GLN 93 -17.132 23.112 0.183 701 HG2 GLN 93 HG2 GLN 93 -19.119 24.563 0.467 702 HG3 GLN 93 HG3 GLN 93 -19.590 24.231 -1.200 703 HE21 GLN 93 HE21 GLN 93 -20.108 23.216 1.971 704 HE22 GLN 93 HE22 GLN 93 -20.692 21.655 1.645 705 H ALA 94 H ALA 94 -14.794 25.119 0.292 706 HA ALA 94 HA ALA 94 -16.042 26.446 2.530 707 HB1 ALA 94 HB1 ALA 94 -14.163 24.930 2.900 708 HB2 ALA 94 HB2 ALA 94 -13.732 26.561 3.415 709 HB3 ALA 94 HB3 ALA 94 -13.129 25.932 1.883 710 H ILE 95 H ILE 95 -13.592 27.392 0.107 711 HA ILE 95 HA ILE 95 -13.373 30.077 0.894 712 HB ILE 95 HB ILE 95 -12.922 28.708 -1.762 713 HG12 ILE 95 HG12 ILE 95 -10.540 29.171 -1.151 714 HG13 ILE 95 HG13 ILE 95 -11.095 29.815 0.390 715 HG21 ILE 95 HG21 ILE 95 -11.638 30.841 -2.323 716 HG22 ILE 95 HG22 ILE 95 -12.494 31.601 -0.981 717 HG23 ILE 95 HG23 ILE 95 -13.395 30.980 -2.363 718 HD11 ILE 95 HD11 ILE 95 -11.785 27.717 1.167 719 HD12 ILE 95 HD12 ILE 95 -10.326 27.323 0.262 720 HD13 ILE 95 HD13 ILE 95 -11.908 27.041 -0.459 721 H HIS 96 H HIS 96 -15.984 28.430 -0.504 722 HA HIS 96 HA HIS 96 -17.094 30.625 -1.993 723 HB2 HIS 96 HB2 HIS 96 -18.257 28.009 -1.025 724 HB3 HIS 96 HB3 HIS 96 -19.172 29.184 -1.968 725 HD1 HIS 96 HD1 HIS 96 -15.710 29.280 -2.991 726 HD2 HIS 96 HD2 HIS 96 -18.992 26.888 -3.933 727 HE1 HIS 96 HE1 HIS 96 -15.146 28.118 -5.167 728 HE2 HIS 96 HE2 HIS 96 -17.138 26.662 -5.762 729 H HIS 97 H HIS 97 -18.011 29.056 1.093 730 HA HIS 97 HA HIS 97 -20.026 30.872 1.792 731 HB2 HIS 97 HB2 HIS 97 -19.524 28.669 2.925 732 HB3 HIS 97 HB3 HIS 97 -18.192 29.478 3.750 733 HD1 HIS 97 HD1 HIS 97 -21.938 29.345 3.594 734 HD2 HIS 97 HD2 HIS 97 -18.992 31.383 5.726 735 HE1 HIS 97 HE1 HIS 97 -23.118 30.517 5.503 736 HE2 HIS 97 HE2 HIS 97 -21.338 31.763 6.815 737 H ALA 98 H ALA 98 -16.544 31.075 2.075 738 HA ALA 98 HA ALA 98 -16.275 33.118 3.949 739 HB1 ALA 98 HB1 ALA 98 -14.103 33.496 3.028 740 HB2 ALA 98 HB2 ALA 98 -14.583 32.852 1.459 741 HB3 ALA 98 HB3 ALA 98 -14.428 31.772 2.844 742 H ASN 99 H ASN 99 -16.652 33.382 0.413 743 HA ASN 99 HA ASN 99 -18.038 35.911 0.698 744 HB2 ASN 99 HB2 ASN 99 -16.395 37.065 -0.863 745 HB3 ASN 99 HB3 ASN 99 -15.835 36.813 0.790 746 HD21 ASN 99 HD21 ASN 99 -13.704 36.107 0.805 747 HD22 ASN 99 HD22 ASN 99 -13.014 35.059 -0.338 748 H HIS 100 H HIS 100 -18.343 36.850 -1.650 749 HA HIS 100 HA HIS 100 -18.627 34.732 -3.671 750 HB2 HIS 100 HB2 HIS 100 -20.933 36.364 -2.581 751 HB3 HIS 100 HB3 HIS 100 -21.007 35.362 -4.030 752 HD1 HIS 100 HD1 HIS 100 -20.505 32.735 -3.639 753 HD2 HIS 100 HD2 HIS 100 -21.306 34.961 -0.205 754 HE1 HIS 100 HE1 HIS 100 -21.073 31.067 -1.821 755 HE2 HIS 100 HE2 HIS 100 -21.558 32.406 0.281 756 HA PRO 101 HA PRO 101 -16.983 38.839 -5.206 757 HB2 PRO 101 HB2 PRO 101 -16.137 36.778 -7.241 758 HB3 PRO 101 HB3 PRO 101 -15.250 38.196 -6.648 759 HG2 PRO 101 HG2 PRO 101 -14.658 35.789 -5.730 760 HG3 PRO 101 HG3 PRO 101 -14.728 37.168 -4.620 761 HD2 PRO 101 HD2 PRO 101 -16.708 34.939 -4.992 762 HD3 PRO 101 HD3 PRO 101 -16.263 35.808 -3.507 763 H LYS 102 H LYS 102 -18.456 36.220 -7.142 764 HA LYS 102 HA LYS 102 -20.574 37.914 -8.060 765 HB2 LYS 102 HB2 LYS 102 -19.916 37.721 -10.503 766 HB3 LYS 102 HB3 LYS 102 -18.957 38.851 -9.546 767 HG2 LYS 102 HG2 LYS 102 -17.127 37.342 -9.397 768 HG3 LYS 102 HG3 LYS 102 -18.105 35.975 -9.931 769 HD2 LYS 102 HD2 LYS 102 -16.589 36.853 -11.718 770 HD3 LYS 102 HD3 LYS 102 -18.293 36.921 -12.164 771 HE2 LYS 102 HE2 LYS 102 -18.411 39.262 -11.790 772 HE3 LYS 102 HE3 LYS 102 -16.894 39.277 -10.892 773 HZ1 LYS 102 HZ1 LYS 102 -17.101 38.543 -13.757 774 HZ2 LYS 102 HZ2 LYS 102 -15.684 38.819 -12.863 775 HZ3 LYS 102 HZ3 LYS 102 -16.733 40.108 -13.213 776 H GLU 103 H GLU 103 -19.422 35.028 -7.224 777 HA GLU 103 HA GLU 103 -20.418 33.221 -9.149 778 HB2 GLU 103 HB2 GLU 103 -20.055 32.912 -6.159 779 HB3 GLU 103 HB3 GLU 103 -20.423 31.584 -7.261 780 HG2 GLU 103 HG2 GLU 103 -18.364 32.118 -8.548 781 HG3 GLU 103 HG3 GLU 103 -17.984 33.383 -7.382 782 H ASN 9 H ASN 9 -7.309 37.370 -3.972 783 HA ASN 9 HA ASN 9 -4.840 37.261 -3.491 784 HB2 ASN 9 HB2 ASN 9 -6.654 38.971 -1.764 785 HB3 ASN 9 HB3 ASN 9 -4.960 39.310 -2.111 786 HD21 ASN 9 HD21 ASN 9 -8.203 39.583 -3.340 787 HD22 ASN 9 HD22 ASN 9 -7.794 40.271 -4.838 788 H THR 10 H THR 10 -3.397 37.547 -1.538 789 HA THR 10 HA THR 10 -3.483 35.253 0.088 790 HB THR 10 HB THR 10 -1.383 36.379 -0.341 791 HG1 THR 10 HG1 THR 10 -2.040 35.461 1.875 792 HG21 THR 10 HG21 THR 10 -2.544 38.692 1.242 793 HG22 THR 10 HG22 THR 10 -2.326 38.674 -0.509 794 HG23 THR 10 HG23 THR 10 -0.921 38.614 0.557 795 H ASP 11 H ASP 11 -4.927 38.381 0.446 796 HA ASP 11 HA ASP 11 -5.249 38.542 3.217 797 HB2 ASP 11 HB2 ASP 11 -5.808 40.395 1.729 798 HB3 ASP 11 HB3 ASP 11 -7.119 39.457 1.018 799 H THR 12 H THR 12 -7.485 37.161 0.799 800 HA THR 12 HA THR 12 -9.399 36.214 2.627 801 HB THR 12 HB THR 12 -10.169 34.780 0.800 802 HG1 THR 12 HG1 THR 12 -8.884 34.229 -0.784 803 HG21 THR 12 HG21 THR 12 -9.159 37.368 -0.394 804 HG22 THR 12 HG22 THR 12 -10.479 37.320 0.775 805 HG23 THR 12 HG23 THR 12 -10.647 36.505 -0.780 806 H LEU 13 H LEU 13 -6.665 34.523 1.090 807 HA LEU 13 HA LEU 13 -6.927 32.001 2.059 808 HB2 LEU 13 HB2 LEU 13 -5.090 32.648 0.604 809 HB3 LEU 13 HB3 LEU 13 -4.392 33.648 1.873 810 HG LEU 13 HG LEU 13 -3.933 31.684 3.237 811 HD11 LEU 13 HD11 LEU 13 -5.703 30.178 2.848 812 HD12 LEU 13 HD12 LEU 13 -4.342 29.392 2.059 813 HD13 LEU 13 HD13 LEU 13 -5.526 30.275 1.096 814 HD21 LEU 13 HD21 LEU 13 -2.285 32.317 1.524 815 HD22 LEU 13 HD22 LEU 13 -3.100 31.283 0.350 816 HD23 LEU 13 HD23 LEU 13 -2.306 30.568 1.754 817 H GLU 14 H GLU 14 -6.062 34.860 3.879 818 HA GLU 14 HA GLU 14 -5.125 33.470 6.203 819 HB2 GLU 14 HB2 GLU 14 -4.563 35.859 5.573 820 HB3 GLU 14 HB3 GLU 14 -6.197 36.294 6.076 821 HG2 GLU 14 HG2 GLU 14 -5.765 35.412 8.324 822 HG3 GLU 14 HG3 GLU 14 -4.150 34.905 7.831 823 H ARG 15 H ARG 15 -8.105 35.343 5.581 824 HA ARG 15 HA ARG 15 -9.441 34.831 7.936 825 HB2 ARG 15 HB2 ARG 15 -10.808 34.859 5.243 826 HB3 ARG 15 HB3 ARG 15 -11.457 35.392 6.795 827 HG2 ARG 15 HG2 ARG 15 -9.591 37.120 6.850 828 HG3 ARG 15 HG3 ARG 15 -9.251 36.688 5.175 829 HD2 ARG 15 HD2 ARG 15 -10.724 38.547 5.040 830 HD3 ARG 15 HD3 ARG 15 -11.735 37.141 4.719 831 HE ARG 15 HE ARG 15 -11.867 37.577 7.460 832 HH11 ARG 15 HH21 ARG 15 -12.576 39.265 4.524 833 HH12 ARG 15 HH22 ARG 15 -13.876 40.186 5.204 834 HH21 ARG 15 HH11 ARG 15 -13.572 38.782 8.359 835 HH22 ARG 15 HH12 ARG 15 -14.441 39.913 7.374 836 H VAL 16 H VAL 16 -9.480 32.854 4.974 837 HA VAL 16 HA VAL 16 -11.262 30.888 5.616 838 HB VAL 16 HB VAL 16 -8.552 30.506 4.324 839 HG11 VAL 16 HG11 VAL 16 -9.379 28.343 4.904 840 HG12 VAL 16 HG12 VAL 16 -9.820 28.576 3.213 841 HG13 VAL 16 HG13 VAL 16 -11.033 28.782 4.477 842 HG21 VAL 16 HG21 VAL 16 -11.295 31.008 3.128 843 HG22 VAL 16 HG22 VAL 16 -9.795 30.786 2.228 844 HG23 VAL 16 HG23 VAL 16 -10.011 32.210 3.247 845 H THR 17 H THR 17 -8.384 31.638 7.293 846 HA THR 17 HA THR 17 -7.995 29.008 8.457 847 HB THR 17 HB THR 17 -6.741 31.606 9.346 848 HG1 THR 17 HG1 THR 17 -5.713 31.627 7.539 849 HG21 THR 17 HG21 THR 17 -5.767 28.734 9.374 850 HG22 THR 17 HG22 THR 17 -6.439 29.583 10.767 851 HG23 THR 17 HG23 THR 17 -4.923 30.127 10.049 852 H GLU 18 H GLU 18 -9.140 32.198 9.583 853 HA GLU 18 HA GLU 18 -9.539 31.357 12.261 854 HB2 GLU 18 HB2 GLU 18 -10.430 33.479 12.656 855 HB3 GLU 18 HB3 GLU 18 -9.346 33.750 11.298 856 HG2 GLU 18 HG2 GLU 18 -11.275 34.866 10.591 857 HG3 GLU 18 HG3 GLU 18 -11.474 33.290 9.833 858 H ILE 19 H ILE 19 -11.261 30.710 9.424 859 HA ILE 19 HA ILE 19 -13.919 30.516 10.346 860 HB ILE 19 HB ILE 19 -12.504 28.766 8.321 861 HG12 ILE 19 HG12 ILE 19 -12.238 31.103 7.730 862 HG13 ILE 19 HG13 ILE 19 -13.424 30.368 6.655 863 HG21 ILE 19 HG21 ILE 19 -15.410 29.301 8.931 864 HG22 ILE 19 HG22 ILE 19 -14.578 27.748 8.858 865 HG23 ILE 19 HG23 ILE 19 -14.880 28.658 7.377 866 HD11 ILE 19 HD11 ILE 19 -15.162 31.270 8.424 867 HD12 ILE 19 HD12 ILE 19 -14.474 32.368 7.232 868 HD13 ILE 19 HD13 ILE 19 -13.841 32.345 8.876 869 H PHE 20 H PHE 20 -11.375 28.017 10.177 870 HA PHE 20 HA PHE 20 -12.892 26.002 11.463 871 HB2 PHE 20 HB2 PHE 20 -9.882 26.318 11.360 872 HB3 PHE 20 HB3 PHE 20 -10.762 24.835 11.725 873 HD1 PHE 20 HD1 PHE 20 -12.667 24.245 9.922 874 HD2 PHE 20 HD2 PHE 20 -9.156 26.595 9.144 875 HE1 PHE 20 HE1 PHE 20 -12.857 23.730 7.505 876 HE2 PHE 20 HE2 PHE 20 -9.345 26.076 6.727 877 HZ PHE 20 HZ PHE 20 -11.197 24.645 5.907 878 H LYS 21 H LYS 21 -10.306 28.121 12.720 879 HA LYS 21 HA LYS 21 -10.283 27.298 15.353 880 HB2 LYS 21 HB2 LYS 21 -8.744 28.991 14.350 881 HB3 LYS 21 HB3 LYS 21 -10.053 30.171 14.427 882 HG2 LYS 21 HG2 LYS 21 -10.171 29.951 16.848 883 HG3 LYS 21 HG3 LYS 21 -8.976 28.655 16.822 884 HD2 LYS 21 HD2 LYS 21 -7.263 30.173 16.020 885 HD3 LYS 21 HD3 LYS 21 -8.443 31.470 15.833 886 HE2 LYS 21 HE2 LYS 21 -8.885 31.355 18.294 887 HE3 LYS 21 HE3 LYS 21 -7.589 30.168 18.435 888 HZ1 LYS 21 HZ1 LYS 21 -5.990 31.712 17.934 889 HZ2 LYS 21 HZ2 LYS 21 -7.093 32.670 18.798 890 HZ3 LYS 21 HZ3 LYS 21 -7.061 32.732 17.101 891 H ALA 22 H ALA 22 -12.472 29.625 13.807 892 HA ALA 22 HA ALA 22 -13.887 30.218 16.238 893 HB1 ALA 22 HB1 ALA 22 -13.850 31.878 14.479 894 HB2 ALA 22 HB2 ALA 22 -15.512 31.326 14.686 895 HB3 ALA 22 HB3 ALA 22 -14.550 30.738 13.330 896 H LEU 23 H LEU 23 -13.632 27.383 15.032 897 HA LEU 23 HA LEU 23 -16.482 26.635 15.346 898 HB2 LEU 23 HB2 LEU 23 -15.201 26.580 12.956 899 HB3 LEU 23 HB3 LEU 23 -14.736 24.997 13.545 900 HG LEU 23 HG LEU 23 -16.739 24.773 12.238 901 HD11 LEU 23 HD11 LEU 23 -17.637 24.612 15.114 902 HD12 LEU 23 HD12 LEU 23 -16.474 23.484 14.412 903 HD13 LEU 23 HD13 LEU 23 -18.109 23.583 13.763 904 HD21 LEU 23 HD21 LEU 23 -18.621 26.080 12.360 905 HD22 LEU 23 HD22 LEU 23 -17.428 27.279 12.840 906 HD23 LEU 23 HD23 LEU 23 -18.408 26.471 14.062 907 H GLY 24 H GLY 24 -13.238 26.266 16.266 908 HA2 GLY 24 HA2 GLY 24 -13.252 23.564 17.159 909 HA3 GLY 24 HA3 GLY 24 -12.154 24.828 17.702 910 H ASP 25 H ASP 25 -15.113 23.128 18.332 911 HA ASP 25 HA ASP 25 -15.022 23.713 21.115 912 HB2 ASP 25 HB2 ASP 25 -15.946 25.874 20.281 913 HB3 ASP 25 HB3 ASP 25 -17.303 24.988 19.590 914 H TYR 26 H TYR 26 -16.932 22.756 22.256 915 HA TYR 26 HA TYR 26 -17.700 20.249 20.941 916 HB2 TYR 26 HB2 TYR 26 -18.232 21.163 23.775 917 HB3 TYR 26 HB3 TYR 26 -18.373 19.524 23.140 918 HD1 TYR 26 HD1 TYR 26 -15.970 22.273 23.858 919 HD2 TYR 26 HD2 TYR 26 -16.461 18.108 22.926 920 HE1 TYR 26 HE1 TYR 26 -13.570 21.882 24.340 921 HE2 TYR 26 HE2 TYR 26 -14.059 17.718 23.408 922 HH TYR 26 HH TYR 26 -11.935 20.393 24.442 923 H ASN 27 H ASN 27 -19.272 22.899 22.723 924 HA ASN 27 HA ASN 27 -21.900 22.035 22.364 925 HB2 ASN 27 HB2 ASN 27 -21.035 24.921 22.578 926 HB3 ASN 27 HB3 ASN 27 -22.563 24.213 23.099 927 HD21 ASN 27 HD21 ASN 27 -22.282 22.396 24.836 928 HD22 ASN 27 HD22 ASN 27 -21.086 22.657 26.012 929 H ARG 28 H ARG 28 -19.784 23.704 20.156 930 HA ARG 28 HA ARG 28 -21.879 24.722 18.471 931 HB2 ARG 28 HB2 ARG 28 -18.913 24.351 18.015 932 HB3 ARG 28 HB3 ARG 28 -20.000 25.103 16.848 933 HG2 ARG 28 HG2 ARG 28 -20.681 26.729 18.657 934 HG3 ARG 28 HG3 ARG 28 -19.395 26.058 19.660 935 HD2 ARG 28 HD2 ARG 28 -17.708 26.742 18.085 936 HD3 ARG 28 HD3 ARG 28 -18.923 27.184 16.889 937 HE ARG 28 HE ARG 28 -19.228 29.195 18.007 938 HH11 ARG 28 HH21 ARG 28 -17.493 26.926 19.961 939 HH12 ARG 28 HH22 ARG 28 -17.103 28.078 21.195 940 HH21 ARG 28 HH11 ARG 28 -18.723 30.709 19.622 941 HH22 ARG 28 HH12 ARG 28 -17.801 30.219 21.003 942 H ILE 29 H ILE 29 -20.438 21.662 18.914 943 HA ILE 29 HA ILE 29 -20.811 20.698 16.225 944 HB ILE 29 HB ILE 29 -20.535 19.020 18.719 945 HG12 ILE 29 HG12 ILE 29 -18.734 20.617 18.810 946 HG13 ILE 29 HG13 ILE 29 -18.066 19.104 18.205 947 HG21 ILE 29 HG21 ILE 29 -19.466 17.455 17.126 948 HG22 ILE 29 HG22 ILE 29 -19.757 18.600 15.817 949 HG23 ILE 29 HG23 ILE 29 -21.118 17.839 16.641 950 HD11 ILE 29 HD11 ILE 29 -18.525 20.075 15.847 951 HD12 ILE 29 HD12 ILE 29 -17.173 20.745 16.757 952 HD13 ILE 29 HD13 ILE 29 -18.699 21.623 16.671 953 H ARG 30 H ARG 30 -22.558 20.272 19.325 954 HA ARG 30 HA ARG 30 -24.601 18.664 18.116 955 HB2 ARG 30 HB2 ARG 30 -24.659 20.123 20.767 956 HB3 ARG 30 HB3 ARG 30 -25.681 18.772 20.282 957 HG2 ARG 30 HG2 ARG 30 -23.583 17.398 19.992 958 HG3 ARG 30 HG3 ARG 30 -22.682 18.733 20.711 959 HD2 ARG 30 HD2 ARG 30 -24.290 18.581 22.685 960 HD3 ARG 30 HD3 ARG 30 -24.855 17.063 21.992 961 HE ARG 30 HE ARG 30 -22.018 17.047 22.230 962 HH11 ARG 30 HH21 ARG 30 -24.967 16.849 24.028 963 HH12 ARG 30 HH22 ARG 30 -24.285 15.906 25.310 964 HH21 ARG 30 HH11 ARG 30 -21.114 15.811 23.911 965 HH22 ARG 30 HH12 ARG 30 -22.104 15.316 25.242 966 H ILE 31 H ILE 31 -24.275 22.077 18.975 967 HA ILE 31 HA ILE 31 -26.987 22.793 18.568 968 HB ILE 31 HB ILE 31 -24.444 24.425 18.414 969 HG12 ILE 31 HG12 ILE 31 -26.594 24.382 20.543 970 HG13 ILE 31 HG13 ILE 31 -25.180 23.331 20.609 971 HG21 ILE 31 HG21 ILE 31 -26.055 25.649 17.147 972 HG22 ILE 31 HG22 ILE 31 -26.097 26.356 18.763 973 HG23 ILE 31 HG23 ILE 31 -27.357 25.228 18.260 974 HD11 ILE 31 HD11 ILE 31 -23.731 25.376 20.436 975 HD12 ILE 31 HD12 ILE 31 -24.711 25.334 21.901 976 HD13 ILE 31 HD13 ILE 31 -25.188 26.363 20.552 977 H MET 32 H MET 32 -24.155 23.338 16.454 978 HA MET 32 HA MET 32 -25.446 24.300 14.220 979 HB2 MET 32 HB2 MET 32 -22.948 24.013 14.559 980 HB3 MET 32 HB3 MET 32 -23.159 22.328 14.084 981 HG2 MET 32 HG2 MET 32 -24.158 23.064 11.943 982 HG3 MET 32 HG3 MET 32 -23.921 24.746 12.416 983 HE1 MET 32 HE1 MET 32 -23.101 24.648 10.093 984 HE2 MET 32 HE2 MET 32 -22.429 23.082 9.640 985 HE3 MET 32 HE3 MET 32 -21.390 24.506 9.683 986 H GLU 33 H GLU 33 -25.172 20.958 15.311 987 HA GLU 33 HA GLU 33 -26.184 19.746 12.953 988 HB2 GLU 33 HB2 GLU 33 -24.946 18.521 14.729 989 HB3 GLU 33 HB3 GLU 33 -26.333 18.727 15.800 990 HG2 GLU 33 HG2 GLU 33 -27.734 17.395 14.400 991 HG3 GLU 33 HG3 GLU 33 -26.571 17.434 13.076 992 H LEU 34 H LEU 34 -27.750 20.609 16.039 993 HA LEU 34 HA LEU 34 -30.314 19.751 15.565 994 HB2 LEU 34 HB2 LEU 34 -29.242 21.046 17.584 995 HB3 LEU 34 HB3 LEU 34 -29.861 22.477 16.772 996 HG LEU 34 HG LEU 34 -31.484 20.074 17.660 997 HD11 LEU 34 HD11 LEU 34 -31.341 22.944 18.626 998 HD12 LEU 34 HD12 LEU 34 -30.838 21.508 19.517 999 HD13 LEU 34 HD13 LEU 34 -32.544 21.772 19.161 1000 HD21 LEU 34 HD21 LEU 34 -33.406 21.685 16.998 1001 HD22 LEU 34 HD22 LEU 34 -32.560 20.845 15.704 1002 HD23 LEU 34 HD23 LEU 34 -32.185 22.533 16.051 1003 H LEU 35 H LEU 35 -29.054 22.994 14.754 1004 HA LEU 35 HA LEU 35 -31.192 24.091 13.451 1005 HB2 LEU 35 HB2 LEU 35 -28.371 24.246 12.377 1006 HB3 LEU 35 HB3 LEU 35 -29.651 25.445 12.209 1007 HG LEU 35 HG LEU 35 -28.278 24.623 14.784 1008 HD11 LEU 35 HD11 LEU 35 -27.625 27.067 14.746 1009 HD12 LEU 35 HD12 LEU 35 -28.261 27.143 13.103 1010 HD13 LEU 35 HD13 LEU 35 -26.892 26.094 13.471 1011 HD21 LEU 35 HD21 LEU 35 -30.693 26.351 14.227 1012 HD22 LEU 35 HD22 LEU 35 -29.686 26.639 15.645 1013 HD23 LEU 35 HD23 LEU 35 -30.494 25.089 15.443 1014 H SER 36 H SER 36 -28.757 21.941 11.960 1015 HA SER 36 HA SER 36 -29.774 21.902 9.378 1016 HB2 SER 36 HB2 SER 36 -28.583 19.511 10.796 1017 HB3 SER 36 HB3 SER 36 -28.558 19.856 9.067 1018 HG SER 36 HG SER 36 -26.832 20.625 10.931 1019 H VAL 37 H VAL 37 -30.724 19.952 12.184 1020 HA VAL 37 HA VAL 37 -32.552 18.294 10.752 1021 HB VAL 37 HB VAL 37 -32.383 18.957 13.703 1022 HG11 VAL 37 HG11 VAL 37 -34.583 18.112 13.273 1023 HG12 VAL 37 HG12 VAL 37 -33.645 16.745 13.873 1024 HG13 VAL 37 HG13 VAL 37 -33.969 16.902 12.146 1025 HG21 VAL 37 HG21 VAL 37 -31.222 16.796 13.847 1026 HG22 VAL 37 HG22 VAL 37 -30.368 17.870 12.739 1027 HG23 VAL 37 HG23 VAL 37 -31.385 16.577 12.105 1028 H SER 38 H SER 38 -33.073 21.038 12.975 1029 HA SER 38 HA SER 38 -35.278 22.014 11.400 1030 HB2 SER 38 HB2 SER 38 -37.003 21.743 13.114 1031 HB3 SER 38 HB3 SER 38 -36.377 20.168 12.628 1032 HG SER 38 HG SER 38 -34.884 21.171 14.613 1033 H GLU 39 H GLU 39 -35.967 24.089 12.054 1034 HA GLU 39 HA GLU 39 -34.019 25.745 13.185 1035 HB2 GLU 39 HB2 GLU 39 -35.912 27.412 13.388 1036 HB3 GLU 39 HB3 GLU 39 -35.707 26.712 11.782 1037 HG2 GLU 39 HG2 GLU 39 -37.493 25.085 12.250 1038 HG3 GLU 39 HG3 GLU 39 -37.688 25.754 13.870 1039 H ALA 40 H ALA 40 -34.463 27.183 15.146 1040 HA ALA 40 HA ALA 40 -35.864 25.871 17.354 1041 HB1 ALA 40 HB1 ALA 40 -33.905 25.809 18.792 1042 HB2 ALA 40 HB2 ALA 40 -32.901 26.481 17.509 1043 HB3 ALA 40 HB3 ALA 40 -33.581 24.863 17.339 1044 H SER 41 H SER 41 -35.490 27.266 19.409 1045 HA SER 41 HA SER 41 -35.497 30.149 18.682 1046 HB2 SER 41 HB2 SER 41 -37.251 30.527 20.240 1047 HB3 SER 41 HB3 SER 41 -37.761 29.140 19.279 1048 HG SER 41 HG SER 41 -37.200 27.792 20.929 1049 H VAL 42 H VAL 42 -35.476 31.308 21.059 1050 HA VAL 42 HA VAL 42 -32.814 31.000 21.929 1051 HB VAL 42 HB VAL 42 -33.975 33.119 22.157 1052 HG11 VAL 42 HG11 VAL 42 -36.207 31.915 22.769 1053 HG12 VAL 42 HG12 VAL 42 -35.859 33.476 23.505 1054 HG13 VAL 42 HG13 VAL 42 -35.613 31.997 24.428 1055 HG21 VAL 42 HG21 VAL 42 -33.186 33.699 24.344 1056 HG22 VAL 42 HG22 VAL 42 -32.126 32.420 23.752 1057 HG23 VAL 42 HG23 VAL 42 -33.388 32.047 24.925 1058 H GLY 43 H GLY 43 -35.828 30.257 23.719 1059 HA2 GLY 43 HA2 GLY 43 -34.439 28.939 25.814 1060 HA3 GLY 43 HA3 GLY 43 -36.178 28.927 25.556 1061 H HIS 44 H HIS 44 -36.135 27.738 22.933 1062 HA HIS 44 HA HIS 44 -36.372 25.065 23.564 1063 HB2 HIS 44 HB2 HIS 44 -37.238 26.073 21.485 1064 HB3 HIS 44 HB3 HIS 44 -35.589 26.199 20.868 1065 HD1 HIS 44 HD1 HIS 44 -38.395 23.837 21.268 1066 HD2 HIS 44 HD2 HIS 44 -34.315 23.585 20.452 1067 HE1 HIS 44 HE1 HIS 44 -37.985 21.497 20.393 1068 HE2 HIS 44 HE2 HIS 44 -35.501 21.326 19.890 1069 H ILE 45 H ILE 45 -33.495 26.861 22.890 1070 HA ILE 45 HA ILE 45 -31.783 24.751 22.132 1071 HB ILE 45 HB ILE 45 -31.339 27.276 22.059 1072 HG12 ILE 45 HG12 ILE 45 -28.869 26.927 22.457 1073 HG13 ILE 45 HG13 ILE 45 -29.256 25.334 23.095 1074 HG21 ILE 45 HG21 ILE 45 -30.525 28.393 23.946 1075 HG22 ILE 45 HG22 ILE 45 -30.154 26.896 24.803 1076 HG23 ILE 45 HG23 ILE 45 -31.825 27.415 24.625 1077 HD11 ILE 45 HD11 ILE 45 -28.612 25.719 20.527 1078 HD12 ILE 45 HD12 ILE 45 -30.343 26.005 20.385 1079 HD13 ILE 45 HD13 ILE 45 -29.749 24.471 21.021 1080 H SER 46 H SER 46 -33.304 25.448 25.079 1081 HA SER 46 HA SER 46 -31.430 24.473 26.942 1082 HB2 SER 46 HB2 SER 46 -33.414 24.179 28.425 1083 HB3 SER 46 HB3 SER 46 -33.352 25.767 27.662 1084 HG SER 46 HG SER 46 -35.415 24.935 27.437 1085 H HIS 47 H HIS 47 -34.328 22.818 25.645 1086 HA HIS 47 HA HIS 47 -34.072 20.336 26.705 1087 HB2 HIS 47 HB2 HIS 47 -35.818 21.083 25.049 1088 HB3 HIS 47 HB3 HIS 47 -34.644 20.780 23.767 1089 HD1 HIS 47 HD1 HIS 47 -35.086 18.632 26.853 1090 HD2 HIS 47 HD2 HIS 47 -35.770 18.418 22.747 1091 HE1 HIS 47 HE1 HIS 47 -35.741 16.237 26.363 1092 HE2 HIS 47 HE2 HIS 47 -36.156 16.086 23.862 1093 H GLN 48 H GLN 48 -31.927 21.841 24.487 1094 HA GLN 48 HA GLN 48 -30.469 19.363 23.875 1095 HB2 GLN 48 HB2 GLN 48 -30.905 21.220 22.167 1096 HB3 GLN 48 HB3 GLN 48 -29.724 22.175 23.061 1097 HG2 GLN 48 HG2 GLN 48 -28.474 21.100 21.349 1098 HG3 GLN 48 HG3 GLN 48 -28.146 20.165 22.808 1099 HE21 GLN 48 HE21 GLN 48 -31.082 20.083 20.735 1100 HE22 GLN 48 HE22 GLN 48 -30.932 18.442 20.332 1101 H LEU 49 H LEU 49 -30.001 22.493 25.491 1102 HA LEU 49 HA LEU 49 -27.938 21.291 27.219 1103 HB2 LEU 49 HB2 LEU 49 -27.635 23.763 25.511 1104 HB3 LEU 49 HB3 LEU 49 -26.644 23.497 26.939 1105 HG LEU 49 HG LEU 49 -26.841 21.358 24.815 1106 HD11 LEU 49 HD11 LEU 49 -24.745 22.338 23.832 1107 HD12 LEU 49 HD12 LEU 49 -25.031 23.784 24.800 1108 HD13 LEU 49 HD13 LEU 49 -26.190 23.311 23.557 1109 HD21 LEU 49 HD21 LEU 49 -25.731 20.672 26.855 1110 HD22 LEU 49 HD22 LEU 49 -24.757 22.141 26.876 1111 HD23 LEU 49 HD23 LEU 49 -24.494 20.927 25.630 1112 H ASN 50 H ASN 50 -30.206 21.467 28.344 1113 HA ASN 50 HA ASN 50 -31.213 23.931 29.212 1114 HB2 ASN 50 HB2 ASN 50 -32.302 21.664 29.467 1115 HB3 ASN 50 HB3 ASN 50 -31.218 21.376 30.826 1116 HD21 ASN 50 HD21 ASN 50 -34.073 21.518 31.168 1117 HD22 ASN 50 HD22 ASN 50 -34.420 22.899 32.091 1118 H LEU 51 H LEU 51 -29.279 25.178 29.616 1119 HA LEU 51 HA LEU 51 -28.257 24.839 32.376 1120 HB2 LEU 51 HB2 LEU 51 -26.581 25.700 30.007 1121 HB3 LEU 51 HB3 LEU 51 -26.032 25.465 31.662 1122 HG LEU 51 HG LEU 51 -27.249 23.242 29.998 1123 HD11 LEU 51 HD11 LEU 51 -24.946 22.491 29.580 1124 HD12 LEU 51 HD12 LEU 51 -24.323 23.914 30.415 1125 HD13 LEU 51 HD13 LEU 51 -25.210 24.097 28.902 1126 HD21 LEU 51 HD21 LEU 51 -27.307 22.707 32.332 1127 HD22 LEU 51 HD22 LEU 51 -25.688 23.355 32.593 1128 HD23 LEU 51 HD23 LEU 51 -25.907 21.866 31.678 1129 H SER 52 H SER 52 -26.783 27.045 32.645 1130 HA SER 52 HA SER 52 -28.562 29.094 33.131 1131 HB2 SER 52 HB2 SER 52 -25.606 29.229 32.501 1132 HB3 SER 52 HB3 SER 52 -26.541 30.602 33.089 1133 HG SER 52 HG SER 52 -26.436 29.791 35.008 1134 H GLN 53 H GLN 53 -29.908 29.996 31.703 1135 HA GLN 53 HA GLN 53 -29.770 30.042 28.969 1136 HB2 GLN 53 HB2 GLN 53 -30.925 32.142 30.816 1137 HB3 GLN 53 HB3 GLN 53 -31.231 32.074 29.081 1138 HG2 GLN 53 HG2 GLN 53 -32.315 29.950 29.261 1139 HG3 GLN 53 HG3 GLN 53 -31.754 29.729 30.918 1140 HE21 GLN 53 HE21 GLN 53 -34.225 29.439 31.260 1141 HE22 GLN 53 HE22 GLN 53 -35.128 30.846 31.554 1142 H SER 54 H SER 54 -28.285 32.327 31.225 1143 HA SER 54 HA SER 54 -27.458 34.338 29.537 1144 HB2 SER 54 HB2 SER 54 -25.799 33.093 31.743 1145 HB3 SER 54 HB3 SER 54 -25.612 34.717 31.085 1146 HG SER 54 HG SER 54 -27.157 33.977 33.054 1147 H ASN 55 H ASN 55 -26.282 31.064 29.751 1148 HA ASN 55 HA ASN 55 -23.812 31.437 28.406 1149 HB2 ASN 55 HB2 ASN 55 -24.278 29.442 29.748 1150 HB3 ASN 55 HB3 ASN 55 -25.553 28.970 28.626 1151 HD21 ASN 55 HD21 ASN 55 -22.349 30.344 27.783 1152 HD22 ASN 55 HD22 ASN 55 -21.823 28.981 26.918 1153 H VAL 56 H VAL 56 -27.096 31.166 27.291 1154 HA VAL 56 HA VAL 56 -26.481 30.357 24.616 1155 HB VAL 56 HB VAL 56 -28.937 31.707 25.768 1156 HG11 VAL 56 HG11 VAL 56 -28.942 32.061 23.399 1157 HG12 VAL 56 HG12 VAL 56 -29.999 30.679 23.690 1158 HG13 VAL 56 HG13 VAL 56 -28.360 30.425 23.086 1159 HG21 VAL 56 HG21 VAL 56 -28.271 29.428 26.672 1160 HG22 VAL 56 HG22 VAL 56 -28.487 28.803 25.038 1161 HG23 VAL 56 HG23 VAL 56 -29.859 29.492 25.907 1162 H SER 57 H SER 57 -27.372 33.479 26.091 1163 HA SER 57 HA SER 57 -27.330 35.079 23.832 1164 HB2 SER 57 HB2 SER 57 -27.961 35.766 26.185 1165 HB3 SER 57 HB3 SER 57 -26.238 35.915 26.525 1166 HG SER 57 HG SER 57 -27.656 37.259 24.466 1167 H HIS 58 H HIS 58 -24.625 34.001 25.844 1168 HA HIS 58 HA HIS 58 -22.625 35.575 24.622 1169 HB2 HIS 58 HB2 HIS 58 -22.319 32.867 25.940 1170 HB3 HIS 58 HB3 HIS 58 -21.044 34.061 25.684 1171 HD1 HIS 58 HD1 HIS 58 -22.196 32.997 28.523 1172 HD2 HIS 58 HD2 HIS 58 -23.007 36.665 26.716 1173 HE1 HIS 58 HE1 HIS 58 -22.924 34.560 30.375 1174 HE2 HIS 58 HE2 HIS 58 -23.416 36.804 29.293 1175 H GLN 59 H GLN 59 -23.617 32.198 24.028 1176 HA GLN 59 HA GLN 59 -21.740 31.608 22.046 1177 HB2 GLN 59 HB2 GLN 59 -24.554 30.582 22.461 1178 HB3 GLN 59 HB3 GLN 59 -23.424 29.891 21.296 1179 HG2 GLN 59 HG2 GLN 59 -22.778 30.209 24.236 1180 HG3 GLN 59 HG3 GLN 59 -23.475 28.739 23.559 1181 HE21 GLN 59 HE21 GLN 59 -20.778 29.013 24.769 1182 HE22 GLN 59 HE22 GLN 59 -19.670 28.611 23.549 1183 H LEU 60 H LEU 60 -25.175 32.221 21.391 1184 HA LEU 60 HA LEU 60 -25.144 32.513 18.694 1185 HB2 LEU 60 HB2 LEU 60 -26.662 34.352 20.557 1186 HB3 LEU 60 HB3 LEU 60 -27.069 34.008 18.881 1187 HG LEU 60 HG LEU 60 -26.914 31.891 21.046 1188 HD11 LEU 60 HD11 LEU 60 -29.346 33.307 19.917 1189 HD12 LEU 60 HD12 LEU 60 -28.680 33.557 21.531 1190 HD13 LEU 60 HD13 LEU 60 -29.368 31.992 21.092 1191 HD21 LEU 60 HD21 LEU 60 -27.821 31.923 18.164 1192 HD22 LEU 60 HD22 LEU 60 -28.434 30.718 19.292 1193 HD23 LEU 60 HD23 LEU 60 -26.710 30.807 18.958 1194 H LYS 61 H LYS 61 -23.825 34.764 20.996 1195 HA LYS 61 HA LYS 61 -23.643 37.008 19.265 1196 HB2 LYS 61 HB2 LYS 61 -23.428 36.966 21.821 1197 HB3 LYS 61 HB3 LYS 61 -21.762 36.454 21.559 1198 HG2 LYS 61 HG2 LYS 61 -21.362 38.466 20.180 1199 HG3 LYS 61 HG3 LYS 61 -23.022 38.985 20.463 1200 HD2 LYS 61 HD2 LYS 61 -22.585 39.065 22.892 1201 HD3 LYS 61 HD3 LYS 61 -20.921 38.552 22.608 1202 HE2 LYS 61 HE2 LYS 61 -22.122 41.037 21.360 1203 HE3 LYS 61 HE3 LYS 61 -21.233 41.055 22.884 1204 HZ1 LYS 61 HZ1 LYS 61 -19.639 41.520 21.275 1205 HZ2 LYS 61 HZ2 LYS 61 -20.245 40.364 20.187 1206 HZ3 LYS 61 HZ3 LYS 61 -19.418 39.865 21.585 1207 H LEU 62 H LEU 62 -21.339 34.421 20.072 1208 HA LEU 62 HA LEU 62 -19.224 35.535 18.487 1209 HB2 LEU 62 HB2 LEU 62 -19.476 32.654 19.354 1210 HB3 LEU 62 HB3 LEU 62 -18.004 33.559 19.011 1211 HG LEU 62 HG LEU 62 -19.917 34.036 21.312 1212 HD11 LEU 62 HD11 LEU 62 -17.030 33.108 21.224 1213 HD12 LEU 62 HD12 LEU 62 -18.426 32.087 21.575 1214 HD13 LEU 62 HD13 LEU 62 -17.978 33.380 22.687 1215 HD21 LEU 62 HD21 LEU 62 -19.132 36.189 20.729 1216 HD22 LEU 62 HD22 LEU 62 -17.533 35.587 20.295 1217 HD23 LEU 62 HD23 LEU 62 -18.018 35.664 21.988 1218 H LEU 63 H LEU 63 -21.232 32.608 18.042 1219 HA LEU 63 HA LEU 63 -20.354 31.803 15.577 1220 HB2 LEU 63 HB2 LEU 63 -23.110 31.768 16.804 1221 HB3 LEU 63 HB3 LEU 63 -22.821 31.080 15.208 1222 HG LEU 63 HG LEU 63 -21.070 29.615 16.164 1223 HD11 LEU 63 HD11 LEU 63 -21.113 29.454 18.741 1224 HD12 LEU 63 HD12 LEU 63 -21.863 31.048 18.702 1225 HD13 LEU 63 HD13 LEU 63 -20.247 30.816 18.034 1226 HD21 LEU 63 HD21 LEU 63 -22.643 28.212 17.566 1227 HD22 LEU 63 HD22 LEU 63 -23.291 28.695 15.998 1228 HD23 LEU 63 HD23 LEU 63 -23.807 29.534 17.462 1229 H LYS 64 H LYS 64 -22.686 34.375 16.274 1230 HA LYS 64 HA LYS 64 -23.465 34.948 13.643 1231 HB2 LYS 64 HB2 LYS 64 -24.591 35.858 15.643 1232 HB3 LYS 64 HB3 LYS 64 -23.182 36.865 15.970 1233 HG2 LYS 64 HG2 LYS 64 -23.481 38.058 13.877 1234 HG3 LYS 64 HG3 LYS 64 -24.783 36.968 13.398 1235 HD2 LYS 64 HD2 LYS 64 -26.176 37.744 15.235 1236 HD3 LYS 64 HD3 LYS 64 -24.858 38.734 15.862 1237 HE2 LYS 64 HE2 LYS 64 -24.894 40.124 13.858 1238 HE3 LYS 64 HE3 LYS 64 -26.116 39.085 13.125 1239 HZ1 LYS 64 HZ1 LYS 64 -27.113 41.051 14.105 1240 HZ2 LYS 64 HZ2 LYS 64 -26.450 40.661 15.620 1241 HZ3 LYS 64 HZ3 LYS 64 -27.628 39.655 14.922 1242 H SER 65 H SER 65 -20.605 35.855 15.455 1243 HA SER 65 HA SER 65 -19.623 37.998 14.032 1244 HB2 SER 65 HB2 SER 65 -17.501 37.451 14.877 1245 HB3 SER 65 HB3 SER 65 -18.602 36.711 16.039 1246 HG SER 65 HG SER 65 -17.074 35.199 15.448 1247 H VAL 66 H VAL 66 -18.795 34.590 13.354 1248 HA VAL 66 HA VAL 66 -17.678 35.245 10.790 1249 HB VAL 66 HB VAL 66 -17.637 32.695 10.568 1250 HG11 VAL 66 HG11 VAL 66 -15.676 33.906 11.318 1251 HG12 VAL 66 HG12 VAL 66 -15.874 32.488 12.349 1252 HG13 VAL 66 HG13 VAL 66 -16.352 34.080 12.938 1253 HG21 VAL 66 HG21 VAL 66 -18.226 31.371 12.454 1254 HG22 VAL 66 HG22 VAL 66 -19.581 32.481 12.250 1255 HG23 VAL 66 HG23 VAL 66 -18.375 32.783 13.499 1256 H HIS 67 H HIS 67 -20.773 35.243 11.758 1257 HA HIS 67 HA HIS 67 -22.800 35.127 10.711 1258 HB2 HIS 67 HB2 HIS 67 -20.993 35.450 8.311 1259 HB3 HIS 67 HB3 HIS 67 -22.752 35.510 8.225 1260 HD1 HIS 67 HD1 HIS 67 -19.864 37.616 8.830 1261 HD2 HIS 67 HD2 HIS 67 -23.844 37.625 10.072 1262 HE1 HIS 67 HE1 HIS 67 -20.334 39.942 9.706 1263 HE2 HIS 67 HE2 HIS 67 -22.756 39.968 10.464 1264 H LEU 68 H LEU 68 -21.496 32.602 11.328 1265 HA LEU 68 HA LEU 68 -22.110 30.791 9.156 1266 HB2 LEU 68 HB2 LEU 68 -21.106 30.580 11.954 1267 HB3 LEU 68 HB3 LEU 68 -21.951 29.166 11.349 1268 HG LEU 68 HG LEU 68 -19.405 29.259 11.043 1269 HD11 LEU 68 HD11 LEU 68 -20.919 27.651 9.903 1270 HD12 LEU 68 HD12 LEU 68 -19.511 28.078 8.935 1271 HD13 LEU 68 HD13 LEU 68 -21.079 28.789 8.565 1272 HD21 LEU 68 HD21 LEU 68 -18.419 30.630 9.494 1273 HD22 LEU 68 HD22 LEU 68 -19.692 31.708 10.043 1274 HD23 LEU 68 HD23 LEU 68 -19.878 30.824 8.531 1275 H VAL 69 H VAL 69 -23.875 32.527 11.398 1276 HA VAL 69 HA VAL 69 -26.293 30.897 10.890 1277 HB VAL 69 HB VAL 69 -25.546 32.141 13.549 1278 HG11 VAL 69 HG11 VAL 69 -27.593 30.858 14.290 1279 HG12 VAL 69 HG12 VAL 69 -27.939 30.551 12.588 1280 HG13 VAL 69 HG13 VAL 69 -27.936 32.203 13.202 1281 HG21 VAL 69 HG21 VAL 69 -24.219 30.138 13.137 1282 HG22 VAL 69 HG22 VAL 69 -25.657 29.253 12.630 1283 HG23 VAL 69 HG23 VAL 69 -25.479 29.759 14.310 1284 H LYS 70 H LYS 70 -28.248 32.110 10.951 1285 HA LYS 70 HA LYS 70 -27.956 35.058 10.798 1286 HB2 LYS 70 HB2 LYS 70 -29.196 33.164 8.809 1287 HB3 LYS 70 HB3 LYS 70 -29.687 34.851 8.883 1288 HG2 LYS 70 HG2 LYS 70 -26.752 34.163 8.709 1289 HG3 LYS 70 HG3 LYS 70 -27.741 34.120 7.257 1290 HD2 LYS 70 HD2 LYS 70 -28.460 36.470 7.720 1291 HD3 LYS 70 HD3 LYS 70 -27.341 36.508 9.083 1292 HE2 LYS 70 HE2 LYS 70 -25.505 35.866 7.452 1293 HE3 LYS 70 HE3 LYS 70 -26.665 36.154 6.154 1294 HZ1 LYS 70 HZ1 LYS 70 -25.250 38.039 7.805 1295 HZ2 LYS 70 HZ2 LYS 70 -26.912 38.365 7.681 1296 HZ3 LYS 70 HZ3 LYS 70 -25.962 38.252 6.277 1297 H ALA 71 H ALA 71 -29.370 36.083 12.009 1298 HA ALA 71 HA ALA 71 -31.718 34.638 13.089 1299 HB1 ALA 71 HB1 ALA 71 -31.692 36.213 14.880 1300 HB2 ALA 71 HB2 ALA 71 -30.563 37.267 14.029 1301 HB3 ALA 71 HB3 ALA 71 -30.019 35.706 14.646 1302 H LYS 72 H LYS 72 -33.748 35.350 12.715 1303 HA LYS 72 HA LYS 72 -34.144 37.851 11.163 1304 HB2 LYS 72 HB2 LYS 72 -35.519 35.193 10.698 1305 HB3 LYS 72 HB3 LYS 72 -35.862 36.693 9.845 1306 HG2 LYS 72 HG2 LYS 72 -33.086 35.493 9.885 1307 HG3 LYS 72 HG3 LYS 72 -34.284 34.984 8.702 1308 HD2 LYS 72 HD2 LYS 72 -34.548 37.446 8.083 1309 HD3 LYS 72 HD3 LYS 72 -33.121 37.754 9.072 1310 HE2 LYS 72 HE2 LYS 72 -31.809 36.204 7.705 1311 HE3 LYS 72 HE3 LYS 72 -33.237 35.816 6.744 1312 HZ1 LYS 72 HZ1 LYS 72 -32.600 38.637 6.984 1313 HZ2 LYS 72 HZ2 LYS 72 -33.127 37.751 5.634 1314 HZ3 LYS 72 HZ3 LYS 72 -31.491 37.714 6.090 1315 H ARG 73 H ARG 73 -36.090 38.910 11.515 1316 HA ARG 73 HA ARG 73 -37.380 38.310 14.093 1317 HB2 ARG 73 HB2 ARG 73 -37.679 40.721 12.288 1318 HB3 ARG 73 HB3 ARG 73 -38.276 40.558 13.940 1319 HG2 ARG 73 HG2 ARG 73 -35.978 40.330 14.771 1320 HG3 ARG 73 HG3 ARG 73 -35.358 40.423 13.122 1321 HD2 ARG 73 HD2 ARG 73 -36.317 42.690 12.896 1322 HD3 ARG 73 HD3 ARG 73 -36.916 42.597 14.550 1323 HE ARG 73 HE ARG 73 -34.238 43.210 13.755 1324 HH11 ARG 73 HH21 ARG 73 -36.176 41.614 16.136 1325 HH12 ARG 73 HH22 ARG 73 -35.009 41.789 17.404 1326 HH21 ARG 73 HH11 ARG 73 -32.704 43.449 15.414 1327 HH22 ARG 73 HH12 ARG 73 -33.044 42.830 16.996 1328 H GLN 74 H GLN 74 -39.455 37.655 14.259 1329 HA GLN 74 HA GLN 74 -41.221 37.715 11.899 1330 HB2 GLN 74 HB2 GLN 74 -39.965 35.501 12.022 1331 HB3 GLN 74 HB3 GLN 74 -40.831 35.202 13.529 1332 HG2 GLN 74 HG2 GLN 74 -42.149 34.175 11.829 1333 HG3 GLN 74 HG3 GLN 74 -42.977 35.681 12.219 1334 HE21 GLN 74 HE21 GLN 74 -40.216 34.797 10.049 1335 HE22 GLN 74 HE22 GLN 74 -40.834 35.626 8.702 1336 H GLY 75 H GLY 75 -42.382 39.308 13.046 1337 HA2 GLY 75 HA2 GLY 75 -44.267 39.902 14.253 1338 HA3 GLY 75 HA3 GLY 75 -44.400 38.230 14.790 1339 H GLN 76 H GLN 76 -42.524 37.585 16.333 1340 HA GLN 76 HA GLN 76 -41.543 39.708 18.056 1341 HB2 GLN 76 HB2 GLN 76 -42.700 38.872 20.068 1342 HB3 GLN 76 HB3 GLN 76 -43.847 39.465 18.866 1343 HG2 GLN 76 HG2 GLN 76 -44.104 37.099 18.050 1344 HG3 GLN 76 HG3 GLN 76 -43.106 36.575 19.404 1345 HE21 GLN 76 HE21 GLN 76 -45.175 35.357 20.033 1346 HE22 GLN 76 HE22 GLN 76 -46.349 36.202 20.921 1347 H SER 77 H SER 77 -41.745 36.388 17.084 1348 HA SER 77 HA SER 77 -39.763 35.476 19.031 1349 HB2 SER 77 HB2 SER 77 -41.652 34.011 18.383 1350 HB3 SER 77 HB3 SER 77 -41.067 34.015 16.721 1351 HG SER 77 HG SER 77 -40.353 32.207 18.011 1352 H MET 78 H MET 78 -37.645 35.333 18.652 1353 HA MET 78 HA MET 78 -36.575 36.184 16.068 1354 HB2 MET 78 HB2 MET 78 -35.150 35.422 18.629 1355 HB3 MET 78 HB3 MET 78 -34.419 36.184 17.217 1356 HG2 MET 78 HG2 MET 78 -36.733 37.421 18.724 1357 HG3 MET 78 HG3 MET 78 -35.049 37.765 19.117 1358 HE1 MET 78 HE1 MET 78 -33.841 39.708 18.162 1359 HE2 MET 78 HE2 MET 78 -33.641 39.836 16.415 1360 HE3 MET 78 HE3 MET 78 -33.304 38.309 17.230 1361 H ILE 79 H ILE 79 -36.805 34.533 14.610 1362 HA ILE 79 HA ILE 79 -36.243 31.789 15.326 1363 HB ILE 79 HB ILE 79 -36.607 32.890 12.540 1364 HG12 ILE 79 HG12 ILE 79 -38.457 33.772 13.805 1365 HG13 ILE 79 HG13 ILE 79 -39.050 32.380 12.903 1366 HG21 ILE 79 HG21 ILE 79 -37.546 30.642 12.141 1367 HG22 ILE 79 HG22 ILE 79 -37.253 30.220 13.828 1368 HG23 ILE 79 HG23 ILE 79 -35.894 30.541 12.751 1369 HD11 ILE 79 HD11 ILE 79 -38.397 32.558 15.847 1370 HD12 ILE 79 HD12 ILE 79 -38.537 31.006 15.022 1371 HD13 ILE 79 HD13 ILE 79 -39.922 32.095 15.092 1372 H TYR 80 H TYR 80 -34.580 30.506 14.534 1373 HA TYR 80 HA TYR 80 -32.250 31.871 13.298 1374 HB2 TYR 80 HB2 TYR 80 -32.105 29.761 15.463 1375 HB3 TYR 80 HB3 TYR 80 -30.761 30.645 14.743 1376 HD1 TYR 80 HD1 TYR 80 -30.451 33.060 15.199 1377 HD2 TYR 80 HD2 TYR 80 -33.535 30.777 17.128 1378 HE1 TYR 80 HE1 TYR 80 -30.729 34.858 16.884 1379 HE2 TYR 80 HE2 TYR 80 -33.814 32.575 18.812 1380 HH TYR 80 HH TYR 80 -31.570 35.153 19.134 1381 H SER 81 H SER 81 -31.189 30.701 11.747 1382 HA SER 81 HA SER 81 -31.724 27.875 11.359 1383 HB2 SER 81 HB2 SER 81 -33.709 28.898 10.319 1384 HB3 SER 81 HB3 SER 81 -32.665 29.894 9.308 1385 HG SER 81 HG SER 81 -33.476 27.834 8.404 1386 H LEU 82 H LEU 82 -30.924 27.549 8.800 1387 HA LEU 82 HA LEU 82 -28.105 27.837 9.003 1388 HB2 LEU 82 HB2 LEU 82 -29.604 27.216 6.459 1389 HB3 LEU 82 HB3 LEU 82 -27.992 26.685 6.934 1390 HG LEU 82 HG LEU 82 -30.598 25.860 8.248 1391 HD11 LEU 82 HD11 LEU 82 -30.205 23.704 7.269 1392 HD12 LEU 82 HD12 LEU 82 -28.596 24.179 6.722 1393 HD13 LEU 82 HD13 LEU 82 -30.028 24.885 5.971 1394 HD21 LEU 82 HD21 LEU 82 -27.697 25.298 8.889 1395 HD22 LEU 82 HD22 LEU 82 -28.988 24.214 9.409 1396 HD23 LEU 82 HD23 LEU 82 -28.962 25.884 9.970 1397 H ASP 83 H ASP 83 -26.674 29.087 7.808 1398 HA ASP 83 HA ASP 83 -27.682 31.694 6.997 1399 HB2 ASP 83 HB2 ASP 83 -25.639 31.592 8.315 1400 HB3 ASP 83 HB3 ASP 83 -24.882 30.548 7.113 1401 H ASP 84 H ASP 84 -26.700 28.720 5.532 1402 HA ASP 84 HA ASP 84 -27.560 29.573 2.946 1403 HB2 ASP 84 HB2 ASP 84 -25.333 30.654 2.989 1404 HB3 ASP 84 HB3 ASP 84 -24.591 29.086 3.299 1405 H ILE 85 H ILE 85 -27.734 27.828 1.481 1406 HA ILE 85 HA ILE 85 -28.192 25.307 2.627 1407 HB ILE 85 HB ILE 85 -27.598 25.798 -0.292 1408 HG12 ILE 85 HG12 ILE 85 -29.155 27.523 0.345 1409 HG13 ILE 85 HG13 ILE 85 -30.074 26.257 -0.467 1410 HG21 ILE 85 HG21 ILE 85 -29.323 24.004 -0.548 1411 HG22 ILE 85 HG22 ILE 85 -29.363 23.844 1.208 1412 HG23 ILE 85 HG23 ILE 85 -27.887 23.463 0.323 1413 HD11 ILE 85 HD11 ILE 85 -30.481 25.301 1.905 1414 HD12 ILE 85 HD12 ILE 85 -31.361 26.759 1.453 1415 HD13 ILE 85 HD13 ILE 85 -29.935 26.874 2.484 1416 H HIS 86 H HIS 86 -25.297 26.779 1.474 1417 HA HIS 86 HA HIS 86 -23.835 24.405 0.870 1418 HB2 HIS 86 HB2 HIS 86 -22.813 27.138 1.686 1419 HB3 HIS 86 HB3 HIS 86 -21.865 25.860 0.926 1420 HD1 HIS 86 HD1 HIS 86 -22.019 28.428 -0.624 1421 HD2 HIS 86 HD2 HIS 86 -24.899 25.440 -1.023 1422 HE1 HIS 86 HE1 HIS 86 -23.124 28.795 -2.871 1423 HE2 HIS 86 HE2 HIS 86 -24.884 26.984 -3.131 1424 H VAL 87 H VAL 87 -24.847 25.829 3.792 1425 HA VAL 87 HA VAL 87 -22.672 24.936 5.446 1426 HB VAL 87 HB VAL 87 -25.493 25.752 6.189 1427 HG11 VAL 87 HG11 VAL 87 -22.968 25.310 7.800 1428 HG12 VAL 87 HG12 VAL 87 -24.527 24.512 8.004 1429 HG13 VAL 87 HG13 VAL 87 -24.350 26.219 8.413 1430 HG21 VAL 87 HG21 VAL 87 -24.523 27.937 6.640 1431 HG22 VAL 87 HG22 VAL 87 -24.140 27.484 4.979 1432 HG23 VAL 87 HG23 VAL 87 -22.912 27.344 6.237 1433 H ALA 88 H ALA 88 -25.938 23.749 4.715 1434 HA ALA 88 HA ALA 88 -25.952 21.566 6.482 1435 HB1 ALA 88 HB1 ALA 88 -27.772 20.700 5.135 1436 HB2 ALA 88 HB2 ALA 88 -27.313 21.735 3.784 1437 HB3 ALA 88 HB3 ALA 88 -27.946 22.451 5.266 1438 H THR 89 H THR 89 -25.184 21.626 2.993 1439 HA THR 89 HA THR 89 -24.471 18.947 2.714 1440 HB THR 89 HB THR 89 -23.109 21.224 1.269 1441 HG1 THR 89 HG1 THR 89 -24.989 21.716 0.529 1442 HG21 THR 89 HG21 THR 89 -23.953 18.470 0.330 1443 HG22 THR 89 HG22 THR 89 -22.336 18.848 0.922 1444 HG23 THR 89 HG23 THR 89 -22.944 19.627 -0.538 1445 H MET 90 H MET 90 -22.446 21.732 3.596 1446 HA MET 90 HA MET 90 -19.966 20.486 3.679 1447 HB2 MET 90 HB2 MET 90 -20.321 22.917 3.962 1448 HB3 MET 90 HB3 MET 90 -21.003 22.623 5.559 1449 HG2 MET 90 HG2 MET 90 -18.252 21.591 4.876 1450 HG3 MET 90 HG3 MET 90 -18.480 23.266 5.371 1451 HE1 MET 90 HE1 MET 90 -17.029 23.152 7.295 1452 HE2 MET 90 HE2 MET 90 -16.590 21.458 7.077 1453 HE3 MET 90 HE3 MET 90 -17.120 22.034 8.658 1454 H LEU 91 H LEU 91 -22.439 20.685 6.226 1455 HA LEU 91 HA LEU 91 -20.986 19.424 8.262 1456 HB2 LEU 91 HB2 LEU 91 -23.205 20.644 8.466 1457 HB3 LEU 91 HB3 LEU 91 -23.966 19.195 7.822 1458 HG LEU 91 HG LEU 91 -22.668 17.961 9.749 1459 HD11 LEU 91 HD11 LEU 91 -21.284 19.783 10.539 1460 HD12 LEU 91 HD12 LEU 91 -22.483 19.437 11.779 1461 HD13 LEU 91 HD13 LEU 91 -22.689 20.833 10.727 1462 HD21 LEU 91 HD21 LEU 91 -24.546 18.355 11.287 1463 HD22 LEU 91 HD22 LEU 91 -25.122 18.177 9.630 1464 HD23 LEU 91 HD23 LEU 91 -25.015 19.780 10.360 1465 H LYS 92 H LYS 92 -23.140 18.047 5.793 1466 HA LYS 92 HA LYS 92 -22.976 15.376 6.730 1467 HB2 LYS 92 HB2 LYS 92 -23.691 16.545 4.037 1468 HB3 LYS 92 HB3 LYS 92 -23.791 14.822 4.398 1469 HG2 LYS 92 HG2 LYS 92 -25.459 15.156 6.058 1470 HG3 LYS 92 HG3 LYS 92 -25.152 16.890 6.134 1471 HD2 LYS 92 HD2 LYS 92 -27.232 16.343 4.871 1472 HD3 LYS 92 HD3 LYS 92 -26.042 17.189 3.884 1473 HE2 LYS 92 HE2 LYS 92 -26.157 14.171 3.933 1474 HE3 LYS 92 HE3 LYS 92 -27.197 15.108 2.861 1475 HZ1 LYS 92 HZ1 LYS 92 -24.393 14.573 2.663 1476 HZ2 LYS 92 HZ2 LYS 92 -24.741 16.230 2.535 1477 HZ3 LYS 92 HZ3 LYS 92 -25.477 15.124 1.478 1478 H GLN 93 H GLN 93 -21.412 16.920 3.912 1479 HA GLN 93 HA GLN 93 -19.870 14.794 3.076 1480 HB2 GLN 93 HB2 GLN 93 -19.317 17.762 3.002 1481 HB3 GLN 93 HB3 GLN 93 -18.276 16.579 2.210 1482 HG2 GLN 93 HG2 GLN 93 -20.165 15.765 0.881 1483 HG3 GLN 93 HG3 GLN 93 -21.253 16.876 1.711 1484 HE21 GLN 93 HE21 GLN 93 -19.896 19.271 1.717 1485 HE22 GLN 93 HE22 GLN 93 -19.534 19.764 0.134 1486 H ALA 94 H ALA 94 -19.499 16.658 5.958 1487 HA ALA 94 HA ALA 94 -16.691 16.056 6.326 1488 HB1 ALA 94 HB1 ALA 94 -16.902 17.219 8.403 1489 HB2 ALA 94 HB2 ALA 94 -18.657 17.048 8.395 1490 HB3 ALA 94 HB3 ALA 94 -17.869 18.110 7.228 1491 H ILE 95 H ILE 95 -19.519 15.302 8.372 1492 HA ILE 95 HA ILE 95 -18.352 13.320 9.900 1493 HB ILE 95 HB ILE 95 -21.229 13.432 8.957 1494 HG12 ILE 95 HG12 ILE 95 -20.048 14.479 11.537 1495 HG13 ILE 95 HG13 ILE 95 -20.234 15.493 10.105 1496 HG21 ILE 95 HG21 ILE 95 -20.769 11.274 9.930 1497 HG22 ILE 95 HG22 ILE 95 -21.600 12.232 11.157 1498 HG23 ILE 95 HG23 ILE 95 -19.854 12.004 11.249 1499 HD11 ILE 95 HD11 ILE 95 -22.642 15.061 10.075 1500 HD12 ILE 95 HD12 ILE 95 -22.176 15.686 11.657 1501 HD13 ILE 95 HD13 ILE 95 -22.484 13.962 11.445 1502 H HIS 96 H HIS 96 -19.305 13.191 6.587 1503 HA HIS 96 HA HIS 96 -19.569 10.335 6.427 1504 HB2 HIS 96 HB2 HIS 96 -20.616 12.006 4.834 1505 HB3 HIS 96 HB3 HIS 96 -19.008 12.242 4.149 1506 HD1 HIS 96 HD1 HIS 96 -17.840 10.019 3.160 1507 HD2 HIS 96 HD2 HIS 96 -21.929 9.721 3.917 1508 HE1 HIS 96 HE1 HIS 96 -18.644 7.952 1.942 1509 HE2 HIS 96 HE2 HIS 96 -21.135 7.755 2.391 1510 H HIS 97 H HIS 97 -16.982 12.667 5.763 1511 HA HIS 97 HA HIS 97 -15.190 10.659 4.735 1512 HB2 HIS 97 HB2 HIS 97 -15.122 13.105 4.114 1513 HB3 HIS 97 HB3 HIS 97 -14.474 13.424 5.723 1514 HD1 HIS 97 HD1 HIS 97 -13.611 11.792 2.448 1515 HD2 HIS 97 HD2 HIS 97 -11.795 12.533 6.127 1516 HE1 HIS 97 HE1 HIS 97 -11.160 11.228 2.163 1517 HE2 HIS 97 HE2 HIS 97 -10.040 11.656 4.400 1518 H ALA 98 H ALA 98 -16.146 11.631 7.852 1519 HA ALA 98 HA ALA 98 -13.982 11.555 9.477 1520 HB1 ALA 98 HB1 ALA 98 -16.553 10.025 9.952 1521 HB2 ALA 98 HB2 ALA 98 -16.304 11.739 10.287 1522 HB3 ALA 98 HB3 ALA 98 -15.403 10.522 11.193 1523 H ASN 99 H ASN 99 -15.676 8.628 8.324 1524 HA ASN 99 HA ASN 99 -13.184 7.177 8.154 1525 HB2 ASN 99 HB2 ASN 99 -13.874 7.102 10.614 1526 HB3 ASN 99 HB3 ASN 99 -15.242 6.120 10.092 1527 HD21 ASN 99 HD21 ASN 99 -11.647 6.222 9.927 1528 HD22 ASN 99 HD22 ASN 99 -11.457 4.537 9.865 1529 H HIS 100 H HIS 100 -16.003 7.921 6.912 1530 HA HIS 100 HA HIS 100 -17.417 7.037 5.365 1531 HB2 HIS 100 HB2 HIS 100 -15.044 5.188 5.051 1532 HB3 HIS 100 HB3 HIS 100 -16.455 5.106 4.002 1533 HD1 HIS 100 HD1 HIS 100 -16.983 7.288 2.567 1534 HD2 HIS 100 HD2 HIS 100 -13.286 7.298 4.494 1535 HE1 HIS 100 HE1 HIS 100 -15.630 9.148 1.510 1536 HE2 HIS 100 HE2 HIS 100 -13.374 9.169 2.672 1537 HA PRO 101 HA PRO 101 -19.604 3.849 7.545 1538 HB2 PRO 101 HB2 PRO 101 -21.472 3.080 5.722 1539 HB3 PRO 101 HB3 PRO 101 -21.497 4.690 6.464 1540 HG2 PRO 101 HG2 PRO 101 -20.416 3.864 3.794 1541 HG3 PRO 101 HG3 PRO 101 -21.457 5.239 4.197 1542 HD2 PRO 101 HD2 PRO 101 -18.752 5.498 3.885 1543 HD3 PRO 101 HD3 PRO 101 -19.674 6.510 5.014 1544 H LYS 102 H LYS 102 -18.849 2.929 4.176 1545 HA LYS 102 HA LYS 102 -18.178 0.927 3.254 1546 HB2 LYS 102 HB2 LYS 102 -16.163 1.647 4.578 1547 HB3 LYS 102 HB3 LYS 102 -16.725 0.610 5.890 1548 HG2 LYS 102 HG2 LYS 102 -16.647 -1.345 4.399 1549 HG3 LYS 102 HG3 LYS 102 -16.123 -0.318 3.065 1550 HD2 LYS 102 HD2 LYS 102 -14.123 0.334 4.433 1551 HD3 LYS 102 HD3 LYS 102 -14.621 -0.844 5.646 1552 HE2 LYS 102 HE2 LYS 102 -14.138 -1.555 2.741 1553 HE3 LYS 102 HE3 LYS 102 -12.900 -1.693 3.990 1554 HZ1 LYS 102 HZ1 LYS 102 -13.834 -3.526 4.807 1555 HZ2 LYS 102 HZ2 LYS 102 -14.715 -3.601 3.357 1556 HZ3 LYS 102 HZ3 LYS 102 -15.404 -2.884 4.735 1557 H GLU 103 H GLU 103 -19.907 -0.409 3.049 1558 HA GLU 103 HA GLU 103 -20.109 -2.638 4.838 1559 HB2 GLU 103 HB2 GLU 103 -22.544 -2.236 5.381 1560 HB3 GLU 103 HB3 GLU 103 -21.413 -1.164 6.208 1561 HG2 GLU 103 HG2 GLU 103 -21.849 0.615 4.620 1562 HG3 GLU 103 HG3 GLU 103 -22.833 -0.456 3.625 Start of MODEL 6 1 H ASN 9 H ASN 9 -21.539 8.597 25.654 2 HA ASN 9 HA ASN 9 -21.626 7.540 22.903 3 HB2 ASN 9 HB2 ASN 9 -23.245 9.367 22.389 4 HB3 ASN 9 HB3 ASN 9 -23.931 8.129 23.440 5 HD21 ASN 9 HD21 ASN 9 -24.096 11.338 23.098 6 HD22 ASN 9 HD22 ASN 9 -24.155 11.835 24.720 7 H THR 10 H THR 10 -19.381 8.302 24.336 8 HA THR 10 HA THR 10 -18.807 11.113 23.708 9 HB THR 10 HB THR 10 -16.709 10.724 24.875 10 HG1 THR 10 HG1 THR 10 -15.953 8.785 24.858 11 HG21 THR 10 HG21 THR 10 -18.874 11.089 26.154 12 HG22 THR 10 HG22 THR 10 -17.590 10.300 27.070 13 HG23 THR 10 HG23 THR 10 -18.921 9.346 26.415 14 H ASP 11 H ASP 11 -17.059 8.068 23.232 15 HA ASP 11 HA ASP 11 -15.201 8.585 21.466 16 HB2 ASP 11 HB2 ASP 11 -15.895 6.296 22.200 17 HB3 ASP 11 HB3 ASP 11 -17.125 6.315 20.937 18 H THR 12 H THR 12 -18.594 8.826 20.665 19 HA THR 12 HA THR 12 -18.288 8.920 17.832 20 HB THR 12 HB THR 12 -20.586 10.019 17.957 21 HG1 THR 12 HG1 THR 12 -19.830 10.448 20.392 22 HG21 THR 12 HG21 THR 12 -20.346 7.612 17.658 23 HG22 THR 12 HG22 THR 12 -21.657 7.922 18.796 24 HG23 THR 12 HG23 THR 12 -20.082 7.394 19.388 25 H LEU 13 H LEU 13 -19.341 11.606 19.933 26 HA LEU 13 HA LEU 13 -18.629 13.574 18.022 27 HB2 LEU 13 HB2 LEU 13 -19.403 13.672 20.934 28 HB3 LEU 13 HB3 LEU 13 -18.947 15.138 20.068 29 HG LEU 13 HG LEU 13 -20.699 14.687 18.387 30 HD11 LEU 13 HD11 LEU 13 -22.425 12.901 19.097 31 HD12 LEU 13 HD12 LEU 13 -21.144 12.255 20.122 32 HD13 LEU 13 HD13 LEU 13 -20.923 12.329 18.373 33 HD21 LEU 13 HD21 LEU 13 -22.611 15.202 19.828 34 HD22 LEU 13 HD22 LEU 13 -21.182 16.054 20.410 35 HD23 LEU 13 HD23 LEU 13 -21.739 14.598 21.235 36 H GLU 14 H GLU 14 -16.686 11.774 20.094 37 HA GLU 14 HA GLU 14 -14.735 13.826 20.682 38 HB2 GLU 14 HB2 GLU 14 -14.737 10.824 20.991 39 HB3 GLU 14 HB3 GLU 14 -13.355 11.831 21.420 40 HG2 GLU 14 HG2 GLU 14 -16.138 12.318 22.504 41 HG3 GLU 14 HG3 GLU 14 -14.953 11.307 23.330 42 H ARG 15 H ARG 15 -15.141 11.266 18.288 43 HA ARG 15 HA ARG 15 -12.507 11.656 17.151 44 HB2 ARG 15 HB2 ARG 15 -13.663 9.449 17.136 45 HB3 ARG 15 HB3 ARG 15 -14.877 10.127 16.052 46 HG2 ARG 15 HG2 ARG 15 -13.160 10.605 14.377 47 HG3 ARG 15 HG3 ARG 15 -11.901 10.028 15.471 48 HD2 ARG 15 HD2 ARG 15 -12.862 7.785 15.451 49 HD3 ARG 15 HD3 ARG 15 -14.206 8.339 14.456 50 HE ARG 15 HE ARG 15 -11.946 8.975 13.011 51 HH11 ARG 15 HH21 ARG 15 -13.346 6.146 14.429 52 HH12 ARG 15 HH22 ARG 15 -12.676 5.058 13.260 53 HH21 ARG 15 HH11 ARG 15 -11.062 7.555 11.472 54 HH22 ARG 15 HH12 ARG 15 -11.383 5.857 11.583 55 H VAL 16 H VAL 16 -15.842 12.540 16.375 56 HA VAL 16 HA VAL 16 -15.450 13.574 13.808 57 HB VAL 16 HB VAL 16 -17.369 14.523 15.951 58 HG11 VAL 16 HG11 VAL 16 -18.702 15.212 13.890 59 HG12 VAL 16 HG12 VAL 16 -17.226 14.961 12.959 60 HG13 VAL 16 HG13 VAL 16 -17.271 16.187 14.227 61 HG21 VAL 16 HG21 VAL 16 -18.920 12.947 15.033 62 HG22 VAL 16 HG22 VAL 16 -17.412 12.061 15.267 63 HG23 VAL 16 HG23 VAL 16 -17.868 12.613 13.656 64 H THR 17 H THR 17 -14.994 15.058 16.983 65 HA THR 17 HA THR 17 -14.481 17.693 16.088 66 HB THR 17 HB THR 17 -13.354 16.318 18.539 67 HG1 THR 17 HG1 THR 17 -15.840 17.505 17.958 68 HG21 THR 17 HG21 THR 17 -13.496 18.707 19.410 69 HG22 THR 17 HG22 THR 17 -13.781 19.206 17.742 70 HG23 THR 17 HG23 THR 17 -12.263 18.421 18.181 71 H GLU 18 H GLU 18 -12.141 15.252 17.235 72 HA GLU 18 HA GLU 18 -9.773 16.351 16.731 73 HB2 GLU 18 HB2 GLU 18 -10.077 14.018 17.479 74 HB3 GLU 18 HB3 GLU 18 -10.501 13.554 15.831 75 HG2 GLU 18 HG2 GLU 18 -8.309 14.175 15.023 76 HG3 GLU 18 HG3 GLU 18 -7.883 14.881 16.580 77 H ILE 19 H ILE 19 -12.035 15.416 14.222 78 HA ILE 19 HA ILE 19 -10.343 15.371 12.002 79 HB ILE 19 HB ILE 19 -13.173 16.442 12.141 80 HG12 ILE 19 HG12 ILE 19 -12.169 13.671 11.425 81 HG13 ILE 19 HG13 ILE 19 -12.813 14.101 13.009 82 HG21 ILE 19 HG21 ILE 19 -12.121 17.104 10.066 83 HG22 ILE 19 HG22 ILE 19 -13.165 15.732 9.712 84 HG23 ILE 19 HG23 ILE 19 -11.423 15.499 9.851 85 HD11 ILE 19 HD11 ILE 19 -14.596 13.117 11.671 86 HD12 ILE 19 HD12 ILE 19 -14.283 14.254 10.361 87 HD13 ILE 19 HD13 ILE 19 -14.931 14.834 11.895 88 H PHE 20 H PHE 20 -12.146 18.151 13.334 89 HA PHE 20 HA PHE 20 -10.846 20.017 11.579 90 HB2 PHE 20 HB2 PHE 20 -12.322 20.730 14.110 91 HB3 PHE 20 HB3 PHE 20 -12.153 21.678 12.633 92 HD1 PHE 20 HD2 PHE 20 -13.137 20.670 10.456 93 HD2 PHE 20 HD1 PHE 20 -14.200 19.324 14.395 94 HE1 PHE 20 HE2 PHE 20 -15.219 19.671 9.554 95 HE2 PHE 20 HE1 PHE 20 -16.283 18.326 13.491 96 HZ PHE 20 HZ PHE 20 -16.794 18.502 11.071 97 H LYS 21 H LYS 21 -10.807 19.716 15.141 98 HA LYS 21 HA LYS 21 -8.873 21.498 15.789 99 HB2 LYS 21 HB2 LYS 21 -10.134 20.013 17.376 100 HB3 LYS 21 HB3 LYS 21 -8.997 18.723 16.985 101 HG2 LYS 21 HG2 LYS 21 -7.125 20.121 17.755 102 HG3 LYS 21 HG3 LYS 21 -8.243 21.437 18.111 103 HD2 LYS 21 HD2 LYS 21 -9.392 20.043 19.771 104 HD3 LYS 21 HD3 LYS 21 -8.336 18.684 19.383 105 HE2 LYS 21 HE2 LYS 21 -6.374 20.096 20.059 106 HE3 LYS 21 HE3 LYS 21 -7.506 21.341 20.585 107 HZ1 LYS 21 HZ1 LYS 21 -8.540 19.351 21.888 108 HZ2 LYS 21 HZ2 LYS 21 -7.203 20.191 22.515 109 HZ3 LYS 21 HZ3 LYS 21 -6.980 18.697 21.737 110 H ALA 22 H ALA 22 -8.272 18.167 14.684 111 HA ALA 22 HA ALA 22 -5.471 18.231 14.930 112 HB1 ALA 22 HB1 ALA 22 -5.476 16.307 13.414 113 HB2 ALA 22 HB2 ALA 22 -7.143 16.658 12.956 114 HB3 ALA 22 HB3 ALA 22 -6.768 16.154 14.605 115 H LEU 23 H LEU 23 -7.595 19.604 12.566 116 HA LEU 23 HA LEU 23 -5.536 19.939 10.543 117 HB2 LEU 23 HB2 LEU 23 -8.094 19.635 10.187 118 HB3 LEU 23 HB3 LEU 23 -8.204 21.340 10.593 119 HG LEU 23 HG LEU 23 -6.301 21.612 8.774 120 HD11 LEU 23 HD11 LEU 23 -7.563 18.957 8.021 121 HD12 LEU 23 HD12 LEU 23 -5.856 19.262 8.343 122 HD13 LEU 23 HD13 LEU 23 -6.621 19.955 6.916 123 HD21 LEU 23 HD21 LEU 23 -8.032 21.845 7.013 124 HD22 LEU 23 HD22 LEU 23 -8.548 22.556 8.542 125 HD23 LEU 23 HD23 LEU 23 -9.176 20.986 8.044 126 H GLY 24 H GLY 24 -5.129 21.082 13.235 127 HA2 GLY 24 HA2 GLY 24 -5.369 23.964 12.908 128 HA3 GLY 24 HA3 GLY 24 -4.692 23.115 14.292 129 H ASP 25 H ASP 25 -4.041 24.160 10.983 130 HA ASP 25 HA ASP 25 -1.299 24.747 11.639 131 HB2 ASP 25 HB2 ASP 25 -1.972 22.430 9.826 132 HB3 ASP 25 HB3 ASP 25 -0.430 23.279 9.734 133 H TYR 26 H TYR 26 -0.346 26.128 10.137 134 HA TYR 26 HA TYR 26 -2.202 27.415 8.273 135 HB2 TYR 26 HB2 TYR 26 0.630 28.136 9.070 136 HB3 TYR 26 HB3 TYR 26 -0.446 29.120 8.080 137 HD1 TYR 26 HD2 TYR 26 0.060 27.680 11.462 138 HD2 TYR 26 HD1 TYR 26 -2.214 30.416 9.055 139 HE1 TYR 26 HE2 TYR 26 -0.942 28.650 13.512 140 HE2 TYR 26 HE1 TYR 26 -3.212 31.391 11.105 141 HH TYR 26 HH TYR 26 -3.476 30.111 13.808 142 H ASN 27 H ASN 27 1.243 26.533 8.056 143 HA ASN 27 HA ASN 27 1.467 26.586 5.306 144 HB2 ASN 27 HB2 ASN 27 2.919 24.820 7.290 145 HB3 ASN 27 HB3 ASN 27 3.416 25.059 5.615 146 HD21 ASN 27 HD21 ASN 27 2.156 27.982 6.287 147 HD22 ASN 27 HD22 ASN 27 3.519 28.771 6.920 148 H ARG 28 H ARG 28 -0.266 24.333 7.200 149 HA ARG 28 HA ARG 28 -0.035 22.095 5.405 150 HB2 ARG 28 HB2 ARG 28 -0.581 21.899 7.848 151 HB3 ARG 28 HB3 ARG 28 -2.164 22.593 7.495 152 HG2 ARG 28 HG2 ARG 28 -2.589 20.755 5.883 153 HG3 ARG 28 HG3 ARG 28 -1.025 20.049 6.294 154 HD2 ARG 28 HD2 ARG 28 -3.172 20.607 8.352 155 HD3 ARG 28 HD3 ARG 28 -3.026 19.062 7.521 156 HE ARG 28 HE ARG 28 -0.524 19.772 8.647 157 HH11 ARG 28 HH21 ARG 28 -3.723 18.751 9.487 158 HH12 ARG 28 HH22 ARG 28 -3.233 17.943 10.938 159 HH21 ARG 28 HH11 ARG 28 0.126 18.717 10.549 160 HH22 ARG 28 HH12 ARG 28 -1.054 17.924 11.541 161 H ILE 29 H ILE 29 -2.174 24.847 5.744 162 HA ILE 29 HA ILE 29 -4.257 23.825 4.070 163 HB ILE 29 HB ILE 29 -3.665 26.741 4.576 164 HG12 ILE 29 HG12 ILE 29 -3.580 25.698 6.749 165 HG13 ILE 29 HG13 ILE 29 -5.160 26.460 6.589 166 HG21 ILE 29 HG21 ILE 29 -6.014 27.030 4.242 167 HG22 ILE 29 HG22 ILE 29 -6.309 25.293 4.324 168 HG23 ILE 29 HG23 ILE 29 -5.462 25.979 2.939 169 HD11 ILE 29 HD11 ILE 29 -4.473 23.525 6.385 170 HD12 ILE 29 HD12 ILE 29 -5.994 24.167 5.763 171 HD13 ILE 29 HD13 ILE 29 -5.614 24.306 7.478 172 H ARG 30 H ARG 30 -1.373 25.800 3.521 173 HA ARG 30 HA ARG 30 -2.016 26.468 0.821 174 HB2 ARG 30 HB2 ARG 30 -0.390 27.697 2.326 175 HB3 ARG 30 HB3 ARG 30 0.740 26.369 2.058 176 HG2 ARG 30 HG2 ARG 30 0.515 26.760 -0.412 177 HG3 ARG 30 HG3 ARG 30 -0.462 28.184 -0.053 178 HD2 ARG 30 HD2 ARG 30 1.372 29.237 1.106 179 HD3 ARG 30 HD3 ARG 30 2.336 27.764 1.026 180 HE ARG 30 HE ARG 30 2.920 28.330 -1.148 181 HH11 ARG 30 HH21 ARG 30 0.148 30.117 -0.098 182 HH12 ARG 30 HH22 ARG 30 0.116 31.150 -1.489 183 HH21 ARG 30 HH11 ARG 30 2.883 29.679 -2.973 184 HH22 ARG 30 HH12 ARG 30 1.664 30.900 -3.118 185 H ILE 31 H ILE 31 -0.391 23.783 2.371 186 HA ILE 31 HA ILE 31 0.771 22.723 -0.031 187 HB ILE 31 HB ILE 31 0.245 21.510 2.689 188 HG12 ILE 31 HG12 ILE 31 2.877 22.236 1.386 189 HG13 ILE 31 HG13 ILE 31 1.964 23.394 2.352 190 HG21 ILE 31 HG21 ILE 31 1.906 19.759 1.857 191 HG22 ILE 31 HG22 ILE 31 1.599 20.376 0.233 192 HG23 ILE 31 HG23 ILE 31 0.285 19.663 1.168 193 HD11 ILE 31 HD11 ILE 31 2.720 20.650 3.381 194 HD12 ILE 31 HD12 ILE 31 2.122 22.025 4.310 195 HD13 ILE 31 HD13 ILE 31 3.742 22.068 3.612 196 H MET 32 H MET 32 -2.065 21.841 1.948 197 HA MET 32 HA MET 32 -3.009 19.717 0.435 198 HB2 MET 32 HB2 MET 32 -3.921 20.611 2.644 199 HB3 MET 32 HB3 MET 32 -4.813 21.792 1.686 200 HG2 MET 32 HG2 MET 32 -6.308 19.955 2.001 201 HG3 MET 32 HG3 MET 32 -5.716 19.809 0.345 202 HE1 MET 32 HE1 MET 32 -6.775 17.668 3.033 203 HE2 MET 32 HE2 MET 32 -6.242 16.244 2.142 204 HE3 MET 32 HE3 MET 32 -7.073 17.551 1.298 205 H GLU 33 H GLU 33 -3.341 23.179 -0.112 206 HA GLU 33 HA GLU 33 -5.273 23.177 -2.133 207 HB2 GLU 33 HB2 GLU 33 -4.387 25.229 -1.076 208 HB3 GLU 33 HB3 GLU 33 -2.846 24.974 -1.895 209 HG2 GLU 33 HG2 GLU 33 -3.866 25.235 -4.060 210 HG3 GLU 33 HG3 GLU 33 -5.484 25.221 -3.360 211 H LEU 34 H LEU 34 -1.733 23.335 -2.600 212 HA LEU 34 HA LEU 34 -1.644 22.934 -5.328 213 HB2 LEU 34 HB2 LEU 34 0.355 23.488 -4.114 214 HB3 LEU 34 HB3 LEU 34 0.253 22.012 -3.159 215 HG LEU 34 HG LEU 34 0.747 20.644 -5.089 216 HD11 LEU 34 HD11 LEU 34 1.282 21.892 -7.292 217 HD12 LEU 34 HD12 LEU 34 0.370 23.234 -6.600 218 HD13 LEU 34 HD13 LEU 34 -0.415 21.679 -6.876 219 HD21 LEU 34 HD21 LEU 34 2.665 21.694 -3.950 220 HD22 LEU 34 HD22 LEU 34 2.550 23.082 -5.032 221 HD23 LEU 34 HD23 LEU 34 2.985 21.497 -5.673 222 H LEU 35 H LEU 35 -1.426 20.407 -2.816 223 HA LEU 35 HA LEU 35 -1.238 18.150 -4.307 224 HB2 LEU 35 HB2 LEU 35 -1.599 18.571 -1.716 225 HB3 LEU 35 HB3 LEU 35 -3.267 18.183 -2.086 226 HG LEU 35 HG LEU 35 -2.220 16.148 -1.421 227 HD11 LEU 35 HD11 LEU 35 -3.707 16.159 -3.488 228 HD12 LEU 35 HD12 LEU 35 -2.659 14.757 -3.289 229 HD13 LEU 35 HD13 LEU 35 -2.223 16.022 -4.435 230 HD21 LEU 35 HD21 LEU 35 -0.137 16.243 -3.585 231 HD22 LEU 35 HD22 LEU 35 -0.141 15.371 -2.059 232 HD23 LEU 35 HD23 LEU 35 0.160 17.102 -2.076 233 H SER 36 H SER 36 -4.334 19.726 -3.479 234 HA SER 36 HA SER 36 -6.022 18.031 -4.906 235 HB2 SER 36 HB2 SER 36 -6.458 21.006 -4.658 236 HB3 SER 36 HB3 SER 36 -7.671 19.729 -4.720 237 HG SER 36 HG SER 36 -7.441 20.266 -2.600 238 H VAL 37 H VAL 37 -4.374 20.994 -6.001 239 HA VAL 37 HA VAL 37 -5.497 21.186 -8.536 240 HB VAL 37 HB VAL 37 -2.663 21.865 -7.714 241 HG11 VAL 37 HG11 VAL 37 -2.972 23.568 -9.593 242 HG12 VAL 37 HG12 VAL 37 -4.384 22.631 -10.082 243 HG13 VAL 37 HG13 VAL 37 -2.783 21.890 -10.102 244 HG21 VAL 37 HG21 VAL 37 -5.122 23.633 -7.845 245 HG22 VAL 37 HG22 VAL 37 -3.534 24.057 -7.204 246 HG23 VAL 37 HG23 VAL 37 -4.544 22.885 -6.356 247 H SER 38 H SER 38 -2.996 19.036 -7.364 248 HA SER 38 HA SER 38 -3.288 17.117 -9.333 249 HB2 SER 38 HB2 SER 38 -2.489 18.393 -11.111 250 HB3 SER 38 HB3 SER 38 -1.401 19.321 -10.081 251 HG SER 38 HG SER 38 0.090 17.901 -10.434 252 H GLU 39 H GLU 39 -2.159 15.322 -8.789 253 HA GLU 39 HA GLU 39 -0.845 15.137 -6.339 254 HB2 GLU 39 HB2 GLU 39 0.004 12.929 -7.238 255 HB3 GLU 39 HB3 GLU 39 -1.743 13.155 -7.349 256 HG2 GLU 39 HG2 GLU 39 -1.569 13.770 -9.689 257 HG3 GLU 39 HG3 GLU 39 0.191 13.750 -9.606 258 H ALA 40 H ALA 40 1.363 14.768 -5.812 259 HA ALA 40 HA ALA 40 3.432 15.325 -7.771 260 HB1 ALA 40 HB1 ALA 40 2.533 17.585 -6.961 261 HB2 ALA 40 HB2 ALA 40 4.270 17.324 -6.808 262 HB3 ALA 40 HB3 ALA 40 3.227 17.174 -5.393 263 H SER 41 H SER 41 5.620 15.200 -6.753 264 HA SER 41 HA SER 41 5.655 13.068 -4.743 265 HB2 SER 41 HB2 SER 41 8.006 12.848 -5.336 266 HB3 SER 41 HB3 SER 41 7.028 12.874 -6.802 267 HG SER 41 HG SER 41 8.927 14.269 -6.795 268 H VAL 42 H VAL 42 7.203 13.195 -2.956 269 HA VAL 42 HA VAL 42 6.802 15.348 -1.273 270 HB VAL 42 HB VAL 42 9.185 13.482 -1.343 271 HG11 VAL 42 HG11 VAL 42 9.745 15.317 0.077 272 HG12 VAL 42 HG12 VAL 42 9.172 14.045 1.155 273 HG13 VAL 42 HG13 VAL 42 8.113 15.393 0.741 274 HG21 VAL 42 HG21 VAL 42 7.173 12.191 -1.158 275 HG22 VAL 42 HG22 VAL 42 6.459 13.346 -0.031 276 HG23 VAL 42 HG23 VAL 42 7.813 12.338 0.479 277 H GLY 43 H GLY 43 9.679 14.714 -3.284 278 HA2 GLY 43 HA2 GLY 43 11.112 17.017 -2.594 279 HA3 GLY 43 HA3 GLY 43 11.312 16.113 -4.091 280 H HIS 44 H HIS 44 8.632 16.515 -5.071 281 HA HIS 44 HA HIS 44 9.007 18.960 -6.438 282 HB2 HIS 44 HB2 HIS 44 7.746 17.109 -7.416 283 HB3 HIS 44 HB3 HIS 44 6.522 17.252 -6.153 284 HD1 HIS 44 HD1 HIS 44 7.336 18.458 -9.477 285 HD2 HIS 44 HD2 HIS 44 5.239 19.976 -6.208 286 HE1 HIS 44 HE1 HIS 44 5.920 20.360 -10.357 287 HE2 HIS 44 HE2 HIS 44 4.630 21.295 -8.380 288 H ILE 45 H ILE 45 7.208 18.116 -3.544 289 HA ILE 45 HA ILE 45 5.655 20.512 -3.443 290 HB ILE 45 HB ILE 45 6.396 18.536 -1.271 291 HG12 ILE 45 HG12 ILE 45 3.808 18.878 -2.811 292 HG13 ILE 45 HG13 ILE 45 5.055 17.716 -3.261 293 HG21 ILE 45 HG21 ILE 45 5.765 20.595 -0.203 294 HG22 ILE 45 HG22 ILE 45 4.344 19.554 -0.158 295 HG23 ILE 45 HG23 ILE 45 4.447 20.854 -1.345 296 HD11 ILE 45 HD11 ILE 45 4.878 16.667 -1.030 297 HD12 ILE 45 HD12 ILE 45 3.326 16.645 -1.866 298 HD13 ILE 45 HD13 ILE 45 3.623 17.823 -0.589 299 H SER 46 H SER 46 8.868 19.630 -2.392 300 HA SER 46 HA SER 46 9.355 21.494 -0.416 301 HB2 SER 46 HB2 SER 46 11.679 21.203 -0.876 302 HB3 SER 46 HB3 SER 46 10.905 19.666 -1.254 303 HG SER 46 HG SER 46 12.411 21.009 -2.836 304 H HIS 47 H HIS 47 8.937 22.007 -3.817 305 HA HIS 47 HA HIS 47 10.202 24.602 -3.880 306 HB2 HIS 47 HB2 HIS 47 9.995 23.075 -5.873 307 HB3 HIS 47 HB3 HIS 47 8.264 23.418 -5.880 308 HD1 HIS 47 HD1 HIS 47 11.605 25.011 -6.522 309 HD2 HIS 47 HD2 HIS 47 7.574 26.052 -6.729 310 HE1 HIS 47 HE1 HIS 47 11.496 27.191 -7.802 311 HE2 HIS 47 HE2 HIS 47 9.044 27.842 -7.936 312 H GLN 48 H GLN 48 7.267 23.405 -2.763 313 HA GLN 48 HA GLN 48 5.592 25.641 -3.413 314 HB2 GLN 48 HB2 GLN 48 4.757 23.323 -2.917 315 HB3 GLN 48 HB3 GLN 48 5.180 23.593 -1.225 316 HG2 GLN 48 HG2 GLN 48 3.636 25.439 -1.060 317 HG3 GLN 48 HG3 GLN 48 3.342 25.419 -2.798 318 HE21 GLN 48 HE21 GLN 48 0.995 25.103 -2.173 319 HE22 GLN 48 HE22 GLN 48 0.463 23.538 -1.786 320 H LEU 49 H LEU 49 7.322 24.604 -0.470 321 HA LEU 49 HA LEU 49 7.759 27.289 0.374 322 HB2 LEU 49 HB2 LEU 49 5.317 27.052 0.862 323 HB3 LEU 49 HB3 LEU 49 5.696 25.712 1.933 324 HG LEU 49 HG LEU 49 7.161 27.273 3.262 325 HD11 LEU 49 HD11 LEU 49 6.449 29.767 2.890 326 HD12 LEU 49 HD12 LEU 49 6.038 29.233 1.263 327 HD13 LEU 49 HD13 LEU 49 7.691 29.077 1.856 328 HD21 LEU 49 HD21 LEU 49 4.206 27.823 2.932 329 HD22 LEU 49 HD22 LEU 49 5.165 28.503 4.247 330 HD23 LEU 49 HD23 LEU 49 4.981 26.754 4.102 331 H ASN 50 H ASN 50 7.715 23.861 1.025 332 HA ASN 50 HA ASN 50 9.347 24.041 3.409 333 HB2 ASN 50 HB2 ASN 50 8.379 21.744 1.704 334 HB3 ASN 50 HB3 ASN 50 9.443 21.515 3.090 335 HD21 ASN 50 HD21 ASN 50 8.443 21.392 5.122 336 HD22 ASN 50 HD22 ASN 50 6.818 21.784 5.412 337 H LEU 51 H LEU 51 11.527 24.085 3.498 338 HA LEU 51 HA LEU 51 13.077 23.626 1.020 339 HB2 LEU 51 HB2 LEU 51 13.639 25.131 3.577 340 HB3 LEU 51 HB3 LEU 51 14.914 24.727 2.435 341 HG LEU 51 HG LEU 51 13.997 27.018 2.121 342 HD11 LEU 51 HD11 LEU 51 14.142 26.974 -0.179 343 HD12 LEU 51 HD12 LEU 51 13.195 25.502 -0.343 344 HD13 LEU 51 HD13 LEU 51 14.869 25.420 0.205 345 HD21 LEU 51 HD21 LEU 51 11.603 26.202 2.739 346 HD22 LEU 51 HD22 LEU 51 11.482 25.782 1.029 347 HD23 LEU 51 HD23 LEU 51 11.785 27.449 1.508 348 H SER 52 H SER 52 11.922 21.559 2.870 349 HA SER 52 HA SER 52 14.293 19.931 3.061 350 HB2 SER 52 HB2 SER 52 13.744 19.413 5.554 351 HB3 SER 52 HB3 SER 52 14.661 20.869 5.177 352 HG SER 52 HG SER 52 12.980 22.086 5.649 353 H GLN 53 H GLN 53 13.795 17.803 2.862 354 HA GLN 53 HA GLN 53 11.022 17.143 2.309 355 HB2 GLN 53 HB2 GLN 53 13.405 15.290 2.245 356 HB3 GLN 53 HB3 GLN 53 11.872 15.116 1.389 357 HG2 GLN 53 HG2 GLN 53 12.403 17.261 0.171 358 HG3 GLN 53 HG3 GLN 53 14.002 17.219 0.913 359 HE21 GLN 53 HE21 GLN 53 11.820 15.181 -1.110 360 HE22 GLN 53 HE22 GLN 53 13.080 14.419 -1.954 361 H SER 54 H SER 54 13.248 16.762 4.928 362 HA SER 54 HA SER 54 12.183 14.411 6.085 363 HB2 SER 54 HB2 SER 54 13.393 15.065 8.086 364 HB3 SER 54 HB3 SER 54 14.389 15.405 6.670 365 HG SER 54 HG SER 54 13.858 17.551 6.825 366 H ASN 55 H ASN 55 11.320 17.812 6.398 367 HA ASN 55 HA ASN 55 9.583 17.494 8.629 368 HB2 ASN 55 HB2 ASN 55 8.790 19.715 8.134 369 HB3 ASN 55 HB3 ASN 55 10.532 19.679 7.877 370 HD21 ASN 55 HD21 ASN 55 11.115 20.732 5.990 371 HD22 ASN 55 HD22 ASN 55 10.182 20.796 4.574 372 H VAL 56 H VAL 56 9.096 17.300 5.142 373 HA VAL 56 HA VAL 56 6.256 17.201 5.226 374 HB VAL 56 HB VAL 56 8.025 15.971 3.107 375 HG11 VAL 56 HG11 VAL 56 5.531 15.585 3.063 376 HG12 VAL 56 HG12 VAL 56 6.153 16.439 1.650 377 HG13 VAL 56 HG13 VAL 56 5.323 17.331 2.925 378 HG21 VAL 56 HG21 VAL 56 7.184 18.858 3.506 379 HG22 VAL 56 HG22 VAL 56 7.918 18.228 2.032 380 HG23 VAL 56 HG23 VAL 56 8.833 18.233 3.540 381 H SER 57 H SER 57 8.780 14.743 5.377 382 HA SER 57 HA SER 57 7.228 12.449 5.023 383 HB2 SER 57 HB2 SER 57 9.679 12.899 6.741 384 HB3 SER 57 HB3 SER 57 8.999 11.312 6.384 385 HG SER 57 HG SER 57 9.757 11.422 4.425 386 H HIS 58 H HIS 58 7.853 14.351 7.945 387 HA HIS 58 HA HIS 58 6.424 12.560 9.676 388 HB2 HIS 58 HB2 HIS 58 7.115 15.456 10.196 389 HB3 HIS 58 HB3 HIS 58 6.806 14.196 11.389 390 HD1 HIS 58 HD1 HIS 58 8.671 12.561 8.868 391 HD2 HIS 58 HD2 HIS 58 9.701 15.230 11.902 392 HE1 HIS 58 HE1 HIS 58 11.162 12.298 9.238 393 HE2 HIS 58 HE2 HIS 58 11.808 13.921 11.079 394 H GLN 59 H GLN 59 5.740 15.917 8.660 395 HA GLN 59 HA GLN 59 3.203 16.174 9.681 396 HB2 GLN 59 HB2 GLN 59 4.448 18.003 8.593 397 HB3 GLN 59 HB3 GLN 59 4.184 17.245 7.023 398 HG2 GLN 59 HG2 GLN 59 1.796 17.532 7.206 399 HG3 GLN 59 HG3 GLN 59 1.935 18.055 8.885 400 HE21 GLN 59 HE21 GLN 59 3.410 20.110 9.156 401 HE22 GLN 59 HE22 GLN 59 3.231 21.313 7.971 402 H LEU 60 H LEU 60 3.998 15.033 6.384 403 HA LEU 60 HA LEU 60 1.399 14.512 5.547 404 HB2 LEU 60 HB2 LEU 60 3.268 14.518 3.999 405 HB3 LEU 60 HB3 LEU 60 3.990 13.132 4.807 406 HG LEU 60 HG LEU 60 2.143 11.703 4.116 407 HD11 LEU 60 HD11 LEU 60 0.214 13.056 4.160 408 HD12 LEU 60 HD12 LEU 60 0.465 12.789 2.440 409 HD13 LEU 60 HD13 LEU 60 0.957 14.314 3.172 410 HD21 LEU 60 HD21 LEU 60 3.935 11.906 2.517 411 HD22 LEU 60 HD22 LEU 60 3.291 13.430 1.908 412 HD23 LEU 60 HD23 LEU 60 2.419 11.924 1.617 413 H LYS 61 H LYS 61 3.569 12.576 7.526 414 HA LYS 61 HA LYS 61 2.227 10.112 7.354 415 HB2 LYS 61 HB2 LYS 61 4.509 10.591 8.397 416 HB3 LYS 61 HB3 LYS 61 3.629 11.128 9.828 417 HG2 LYS 61 HG2 LYS 61 2.571 8.949 10.056 418 HG3 LYS 61 HG3 LYS 61 3.296 8.401 8.544 419 HD2 LYS 61 HD2 LYS 61 5.532 8.601 9.496 420 HD3 LYS 61 HD3 LYS 61 4.869 9.276 10.985 421 HE2 LYS 61 HE2 LYS 61 3.804 7.219 11.558 422 HE3 LYS 61 HE3 LYS 61 4.061 6.552 9.946 423 HZ1 LYS 61 HZ1 LYS 61 6.320 7.352 11.676 424 HZ2 LYS 61 HZ2 LYS 61 6.337 6.326 10.324 425 HZ3 LYS 61 HZ3 LYS 61 5.627 5.806 11.777 426 H LEU 62 H LEU 62 1.577 12.993 9.239 427 HA LEU 62 HA LEU 62 -0.271 11.790 11.052 428 HB2 LEU 62 HB2 LEU 62 -0.280 14.688 10.211 429 HB3 LEU 62 HB3 LEU 62 -0.774 13.997 11.756 430 HG LEU 62 HG LEU 62 2.048 14.086 10.648 431 HD11 LEU 62 HD11 LEU 62 0.654 15.502 12.935 432 HD12 LEU 62 HD12 LEU 62 1.366 16.240 11.500 433 HD13 LEU 62 HD13 LEU 62 2.404 15.494 12.715 434 HD21 LEU 62 HD21 LEU 62 2.554 13.217 13.026 435 HD22 LEU 62 HD22 LEU 62 1.906 12.056 11.871 436 HD23 LEU 62 HD23 LEU 62 0.850 12.768 13.091 437 H LEU 63 H LEU 63 -0.756 13.836 8.158 438 HA LEU 63 HA LEU 63 -3.534 13.750 8.077 439 HB2 LEU 63 HB2 LEU 63 -1.447 13.960 5.909 440 HB3 LEU 63 HB3 LEU 63 -3.166 13.969 5.520 441 HG LEU 63 HG LEU 63 -3.497 15.889 7.039 442 HD11 LEU 63 HD11 LEU 63 -1.810 15.650 8.682 443 HD12 LEU 63 HD12 LEU 63 -1.315 17.068 7.763 444 HD13 LEU 63 HD13 LEU 63 -0.532 15.515 7.474 445 HD21 LEU 63 HD21 LEU 63 -2.165 17.551 5.679 446 HD22 LEU 63 HD22 LEU 63 -3.084 16.396 4.715 447 HD23 LEU 63 HD23 LEU 63 -1.346 16.183 4.924 448 H LYS 64 H LYS 64 -1.175 11.366 6.996 449 HA LYS 64 HA LYS 64 -2.928 9.678 5.569 450 HB2 LYS 64 HB2 LYS 64 -0.449 9.492 5.508 451 HB3 LYS 64 HB3 LYS 64 -0.479 8.885 7.164 452 HG2 LYS 64 HG2 LYS 64 -1.745 6.943 6.509 453 HG3 LYS 64 HG3 LYS 64 -2.019 7.597 4.894 454 HD2 LYS 64 HD2 LYS 64 0.350 7.434 4.371 455 HD3 LYS 64 HD3 LYS 64 0.716 6.933 6.022 456 HE2 LYS 64 HE2 LYS 64 -0.704 4.917 5.697 457 HE3 LYS 64 HE3 LYS 64 -0.984 5.405 4.026 458 HZ1 LYS 64 HZ1 LYS 64 0.933 4.499 3.449 459 HZ2 LYS 64 HZ2 LYS 64 1.159 3.953 5.041 460 HZ3 LYS 64 HZ3 LYS 64 1.777 5.461 4.564 461 H SER 65 H SER 65 -2.318 10.100 8.984 462 HA SER 65 HA SER 65 -3.630 7.684 9.819 463 HB2 SER 65 HB2 SER 65 -1.933 8.907 11.200 464 HB3 SER 65 HB3 SER 65 -3.112 10.199 11.424 465 HG SER 65 HG SER 65 -4.501 8.679 12.380 466 H VAL 66 H VAL 66 -4.596 11.007 9.217 467 HA VAL 66 HA VAL 66 -7.224 10.689 10.374 468 HB VAL 66 HB VAL 66 -6.419 12.850 8.427 469 HG11 VAL 66 HG11 VAL 66 -8.754 12.833 9.174 470 HG12 VAL 66 HG12 VAL 66 -7.907 14.197 9.904 471 HG13 VAL 66 HG13 VAL 66 -8.234 12.751 10.857 472 HG21 VAL 66 HG21 VAL 66 -4.577 12.742 9.979 473 HG22 VAL 66 HG22 VAL 66 -5.674 12.562 11.348 474 HG23 VAL 66 HG23 VAL 66 -5.601 14.092 10.473 475 H HIS 67 H HIS 67 -5.822 9.431 7.712 476 HA HIS 67 HA HIS 67 -6.615 8.341 5.875 477 HB2 HIS 67 HB2 HIS 67 -8.432 7.718 7.593 478 HB3 HIS 67 HB3 HIS 67 -9.423 8.944 6.807 479 HD1 HIS 67 HD1 HIS 67 -7.353 7.604 4.242 480 HD2 HIS 67 HD2 HIS 67 -10.799 6.256 6.162 481 HE1 HIS 67 HE1 HIS 67 -8.357 5.828 2.744 482 HE2 HIS 67 HE2 HIS 67 -10.456 4.991 3.901 483 H LEU 68 H LEU 68 -6.729 11.514 6.265 484 HA LEU 68 HA LEU 68 -8.537 12.328 4.192 485 HB2 LEU 68 HB2 LEU 68 -6.223 13.743 5.530 486 HB3 LEU 68 HB3 LEU 68 -7.306 14.514 4.380 487 HG LEU 68 HG LEU 68 -8.285 13.145 6.899 488 HD11 LEU 68 HD11 LEU 68 -7.669 16.084 6.478 489 HD12 LEU 68 HD12 LEU 68 -6.716 14.978 7.466 490 HD13 LEU 68 HD13 LEU 68 -8.372 15.373 7.929 491 HD21 LEU 68 HD21 LEU 68 -9.531 14.969 4.838 492 HD22 LEU 68 HD22 LEU 68 -10.193 14.871 6.467 493 HD23 LEU 68 HD23 LEU 68 -10.130 13.433 5.461 494 H VAL 69 H VAL 69 -5.469 10.886 4.179 495 HA VAL 69 HA VAL 69 -5.182 11.392 1.290 496 HB VAL 69 HB VAL 69 -3.796 13.094 2.379 497 HG11 VAL 69 HG11 VAL 69 -2.242 10.830 3.643 498 HG12 VAL 69 HG12 VAL 69 -3.528 11.680 4.501 499 HG13 VAL 69 HG13 VAL 69 -2.098 12.560 3.960 500 HG21 VAL 69 HG21 VAL 69 -1.947 10.911 1.404 501 HG22 VAL 69 HG22 VAL 69 -1.797 12.654 1.186 502 HG23 VAL 69 HG23 VAL 69 -3.034 11.760 0.307 503 H LYS 70 H LYS 70 -3.611 9.944 0.292 504 HA LYS 70 HA LYS 70 -3.004 7.471 1.773 505 HB2 LYS 70 HB2 LYS 70 -3.876 6.172 -0.226 506 HB3 LYS 70 HB3 LYS 70 -5.113 6.914 0.790 507 HG2 LYS 70 HG2 LYS 70 -5.473 8.683 -0.761 508 HG3 LYS 70 HG3 LYS 70 -3.992 8.314 -1.643 509 HD2 LYS 70 HD2 LYS 70 -6.063 7.528 -2.815 510 HD3 LYS 70 HD3 LYS 70 -4.930 6.225 -2.453 511 HE2 LYS 70 HE2 LYS 70 -7.420 5.812 -1.906 512 HE3 LYS 70 HE3 LYS 70 -6.244 5.436 -0.646 513 HZ1 LYS 70 HZ1 LYS 70 -6.907 7.163 0.623 514 HZ2 LYS 70 HZ2 LYS 70 -8.366 6.946 -0.219 515 HZ3 LYS 70 HZ3 LYS 70 -7.278 8.157 -0.702 516 H ALA 71 H ALA 71 -1.744 5.962 0.212 517 HA ALA 71 HA ALA 71 -0.136 7.359 -1.782 518 HB1 ALA 71 HB1 ALA 71 1.138 6.192 0.708 519 HB2 ALA 71 HB2 ALA 71 0.977 7.914 0.365 520 HB3 ALA 71 HB3 ALA 71 1.987 6.901 -0.665 521 H LYS 72 H LYS 72 1.277 5.915 -2.948 522 HA LYS 72 HA LYS 72 0.896 3.033 -2.562 523 HB2 LYS 72 HB2 LYS 72 -0.987 3.925 -4.029 524 HB3 LYS 72 HB3 LYS 72 0.251 4.334 -5.215 525 HG2 LYS 72 HG2 LYS 72 0.918 2.023 -5.421 526 HG3 LYS 72 HG3 LYS 72 -0.106 1.551 -4.065 527 HD2 LYS 72 HD2 LYS 72 -2.093 2.361 -5.387 528 HD3 LYS 72 HD3 LYS 72 -1.014 2.589 -6.763 529 HE2 LYS 72 HE2 LYS 72 -1.520 -0.024 -5.307 530 HE3 LYS 72 HE3 LYS 72 -2.110 0.399 -6.915 531 HZ1 LYS 72 HZ1 LYS 72 0.592 0.870 -6.990 532 HZ2 LYS 72 HZ2 LYS 72 -0.228 -0.444 -7.689 533 HZ3 LYS 72 HZ3 LYS 72 0.442 -0.589 -6.135 534 H ARG 73 H ARG 73 2.307 1.775 -3.997 535 HA ARG 73 HA ARG 73 4.872 3.157 -4.415 536 HB2 ARG 73 HB2 ARG 73 5.834 0.945 -4.518 537 HB3 ARG 73 HB3 ARG 73 4.781 1.032 -3.106 538 HG2 ARG 73 HG2 ARG 73 2.942 0.057 -4.589 539 HG3 ARG 73 HG3 ARG 73 4.208 -0.286 -5.769 540 HD2 ARG 73 HD2 ARG 73 3.878 -1.405 -2.987 541 HD3 ARG 73 HD3 ARG 73 4.047 -2.278 -4.507 542 HE ARG 73 HE ARG 73 6.362 -0.691 -3.959 543 HH11 ARG 73 HH21 ARG 73 4.683 -3.589 -3.100 544 HH12 ARG 73 HH22 ARG 73 6.118 -4.458 -2.666 545 HH21 ARG 73 HH11 ARG 73 8.249 -1.821 -3.396 546 HH22 ARG 73 HH12 ARG 73 8.138 -3.458 -2.839 547 H GLN 74 H GLN 74 5.778 3.444 -6.371 548 HA GLN 74 HA GLN 74 4.788 2.044 -8.728 549 HB2 GLN 74 HB2 GLN 74 3.267 4.035 -8.421 550 HB3 GLN 74 HB3 GLN 74 4.681 5.066 -8.644 551 HG2 GLN 74 HG2 GLN 74 5.067 4.145 -10.859 552 HG3 GLN 74 HG3 GLN 74 3.777 2.966 -10.634 553 HE21 GLN 74 HE21 GLN 74 2.359 3.733 -12.292 554 HE22 GLN 74 HE22 GLN 74 1.649 5.275 -12.256 555 H GLY 75 H GLY 75 6.993 1.272 -8.548 556 HA2 GLY 75 HA2 GLY 75 9.082 1.227 -9.552 557 HA3 GLY 75 HA3 GLY 75 8.786 2.849 -10.168 558 H GLN 76 H GLN 76 8.883 1.519 -6.860 559 HA GLN 76 HA GLN 76 10.173 2.012 -5.051 560 HB2 GLN 76 HB2 GLN 76 12.022 1.801 -6.860 561 HB3 GLN 76 HB3 GLN 76 12.071 3.561 -6.811 562 HG2 GLN 76 HG2 GLN 76 12.386 3.400 -4.312 563 HG3 GLN 76 HG3 GLN 76 12.556 1.657 -4.508 564 HE21 GLN 76 HE21 GLN 76 14.045 4.779 -5.424 565 HE22 GLN 76 HE22 GLN 76 15.576 4.127 -5.761 566 H SER 77 H SER 77 8.954 4.424 -7.135 567 HA SER 77 HA SER 77 9.495 6.646 -5.317 568 HB2 SER 77 HB2 SER 77 8.595 8.036 -6.988 569 HB3 SER 77 HB3 SER 77 9.429 6.773 -7.892 570 HG SER 77 HG SER 77 7.445 5.723 -8.153 571 H MET 78 H MET 78 8.235 7.064 -3.633 572 HA MET 78 HA MET 78 5.641 5.789 -3.343 573 HB2 MET 78 HB2 MET 78 6.987 7.783 -1.508 574 HB3 MET 78 HB3 MET 78 5.668 6.683 -1.105 575 HG2 MET 78 HG2 MET 78 7.244 4.778 -1.745 576 HG3 MET 78 HG3 MET 78 8.535 5.978 -1.765 577 HE1 MET 78 HE1 MET 78 10.092 5.547 0.167 578 HE2 MET 78 HE2 MET 78 9.364 3.971 -0.140 579 HE3 MET 78 HE3 MET 78 9.577 4.533 1.517 580 H ILE 79 H ILE 79 4.424 6.794 -4.996 581 HA ILE 79 HA ILE 79 4.047 9.692 -4.929 582 HB ILE 79 HB ILE 79 2.544 7.713 -6.640 583 HG12 ILE 79 HG12 ILE 79 4.866 7.150 -6.960 584 HG13 ILE 79 HG13 ILE 79 4.358 8.122 -8.340 585 HG21 ILE 79 HG21 ILE 79 1.726 10.008 -6.683 586 HG22 ILE 79 HG22 ILE 79 2.542 9.655 -8.205 587 HG23 ILE 79 HG23 ILE 79 3.357 10.616 -6.971 588 HD11 ILE 79 HD11 ILE 79 6.024 8.985 -5.970 589 HD12 ILE 79 HD12 ILE 79 5.261 10.149 -7.054 590 HD13 ILE 79 HD13 ILE 79 6.463 9.019 -7.678 591 H TYR 80 H TYR 80 1.900 10.624 -4.801 592 HA TYR 80 HA TYR 80 -0.213 9.032 -3.571 593 HB2 TYR 80 HB2 TYR 80 -0.401 10.838 -1.727 594 HB3 TYR 80 HB3 TYR 80 0.837 9.598 -1.549 595 HD1 TYR 80 HD2 TYR 80 0.294 13.038 -2.923 596 HD2 TYR 80 HD1 TYR 80 3.099 10.224 -1.290 597 HE1 TYR 80 HE2 TYR 80 2.030 14.806 -2.857 598 HE2 TYR 80 HE1 TYR 80 4.835 11.992 -1.224 599 HH TYR 80 HH TYR 80 4.581 14.805 -1.087 600 H SER 81 H SER 81 -2.119 10.607 -3.048 601 HA SER 81 HA SER 81 -2.281 12.938 -4.772 602 HB2 SER 81 HB2 SER 81 -2.717 11.227 -6.425 603 HB3 SER 81 HB3 SER 81 -3.872 10.430 -5.358 604 HG SER 81 HG SER 81 -5.137 11.664 -6.590 605 H LEU 82 H LEU 82 -4.851 13.478 -4.860 606 HA LEU 82 HA LEU 82 -5.519 14.045 -2.136 607 HB2 LEU 82 HB2 LEU 82 -6.020 15.608 -3.980 608 HB3 LEU 82 HB3 LEU 82 -7.130 14.432 -4.673 609 HG LEU 82 HG LEU 82 -8.517 14.545 -2.620 610 HD11 LEU 82 HD11 LEU 82 -7.109 15.144 -0.845 611 HD12 LEU 82 HD12 LEU 82 -7.959 16.652 -1.148 612 HD13 LEU 82 HD13 LEU 82 -6.324 16.428 -1.764 613 HD21 LEU 82 HD21 LEU 82 -7.952 17.290 -3.767 614 HD22 LEU 82 HD22 LEU 82 -9.476 16.711 -3.093 615 HD23 LEU 82 HD23 LEU 82 -8.873 16.043 -4.609 616 H ASP 83 H ASP 83 -7.384 13.364 -0.991 617 HA ASP 83 HA ASP 83 -7.917 10.676 -0.883 618 HB2 ASP 83 HB2 ASP 83 -8.631 12.206 0.872 619 HB3 ASP 83 HB3 ASP 83 -9.795 12.957 -0.218 620 H ASP 84 H ASP 84 -10.632 12.721 -1.835 621 HA ASP 84 HA ASP 84 -10.962 11.391 -4.393 622 HB2 ASP 84 HB2 ASP 84 -12.977 10.934 -2.179 623 HB3 ASP 84 HB3 ASP 84 -13.123 10.386 -3.849 624 H ILE 85 H ILE 85 -13.584 11.894 -4.875 625 HA ILE 85 HA ILE 85 -13.585 14.709 -5.348 626 HB ILE 85 HB ILE 85 -15.960 14.237 -6.146 627 HG12 ILE 85 HG12 ILE 85 -15.139 11.357 -5.699 628 HG13 ILE 85 HG13 ILE 85 -16.185 12.234 -4.581 629 HG21 ILE 85 HG21 ILE 85 -13.604 12.645 -7.196 630 HG22 ILE 85 HG22 ILE 85 -14.137 14.240 -7.728 631 HG23 ILE 85 HG23 ILE 85 -15.126 12.821 -8.069 632 HD11 ILE 85 HD11 ILE 85 -17.385 10.860 -6.367 633 HD12 ILE 85 HD12 ILE 85 -16.774 12.024 -7.543 634 HD13 ILE 85 HD13 ILE 85 -17.862 12.554 -6.260 635 H HIS 86 H HIS 86 -13.963 13.217 -2.525 636 HA HIS 86 HA HIS 86 -16.354 14.536 -1.541 637 HB2 HIS 86 HB2 HIS 86 -14.195 12.928 -0.160 638 HB3 HIS 86 HB3 HIS 86 -15.623 13.572 0.648 639 HD1 HIS 86 HD1 HIS 86 -14.653 10.470 -0.350 640 HD2 HIS 86 HD2 HIS 86 -17.955 12.752 -1.476 641 HE1 HIS 86 HE1 HIS 86 -16.373 8.844 -1.242 642 HE2 HIS 86 HE2 HIS 86 -18.393 10.218 -1.938 643 H VAL 87 H VAL 87 -13.491 14.496 0.416 644 HA VAL 87 HA VAL 87 -13.726 16.983 1.495 645 HB VAL 87 HB VAL 87 -11.156 15.524 0.832 646 HG11 VAL 87 HG11 VAL 87 -10.325 16.869 2.835 647 HG12 VAL 87 HG12 VAL 87 -11.766 17.866 2.647 648 HG13 VAL 87 HG13 VAL 87 -10.574 17.785 1.350 649 HG21 VAL 87 HG21 VAL 87 -12.819 15.605 3.368 650 HG22 VAL 87 HG22 VAL 87 -11.348 14.667 3.112 651 HG23 VAL 87 HG23 VAL 87 -12.813 14.271 2.215 652 H ALA 88 H ALA 88 -12.646 16.215 -1.703 653 HA ALA 88 HA ALA 88 -11.046 18.324 -2.423 654 HB1 ALA 88 HB1 ALA 88 -11.649 16.505 -3.956 655 HB2 ALA 88 HB2 ALA 88 -11.954 18.074 -4.701 656 HB3 ALA 88 HB3 ALA 88 -13.296 17.126 -4.058 657 H THR 89 H THR 89 -14.615 18.302 -2.510 658 HA THR 89 HA THR 89 -14.745 21.094 -3.192 659 HB THR 89 HB THR 89 -17.007 19.380 -2.158 660 HG1 THR 89 HG1 THR 89 -17.250 18.645 -4.216 661 HG21 THR 89 HG21 THR 89 -18.378 20.880 -3.476 662 HG22 THR 89 HG22 THR 89 -16.950 21.651 -4.166 663 HG23 THR 89 HG23 THR 89 -17.326 21.861 -2.456 664 H MET 90 H MET 90 -15.265 19.177 -0.255 665 HA MET 90 HA MET 90 -16.383 20.983 1.454 666 HB2 MET 90 HB2 MET 90 -15.697 18.636 2.016 667 HB3 MET 90 HB3 MET 90 -14.043 19.217 2.200 668 HG2 MET 90 HG2 MET 90 -14.689 20.697 3.996 669 HG3 MET 90 HG3 MET 90 -16.399 20.367 3.720 670 HE1 MET 90 HE1 MET 90 -12.978 18.864 4.391 671 HE2 MET 90 HE2 MET 90 -13.243 17.823 5.790 672 HE3 MET 90 HE3 MET 90 -13.467 19.565 5.936 673 H LEU 91 H LEU 91 -12.964 20.821 0.525 674 HA LEU 91 HA LEU 91 -12.154 22.954 2.248 675 HB2 LEU 91 HB2 LEU 91 -10.749 21.053 1.124 676 HB3 LEU 91 HB3 LEU 91 -10.658 22.152 -0.246 677 HG LEU 91 HG LEU 91 -9.842 22.867 2.588 678 HD11 LEU 91 HD11 LEU 91 -8.105 22.215 0.190 679 HD12 LEU 91 HD12 LEU 91 -8.415 21.110 1.529 680 HD13 LEU 91 HD13 LEU 91 -7.548 22.619 1.814 681 HD21 LEU 91 HD21 LEU 91 -10.366 24.887 1.488 682 HD22 LEU 91 HD22 LEU 91 -9.758 24.311 -0.064 683 HD23 LEU 91 HD23 LEU 91 -8.633 24.726 1.227 684 H LYS 92 H LYS 92 -12.483 22.763 -1.302 685 HA LYS 92 HA LYS 92 -12.142 25.511 -1.793 686 HB2 LYS 92 HB2 LYS 92 -12.085 23.581 -3.466 687 HB3 LYS 92 HB3 LYS 92 -13.847 23.659 -3.462 688 HG2 LYS 92 HG2 LYS 92 -13.794 25.973 -4.211 689 HG3 LYS 92 HG3 LYS 92 -12.035 26.013 -4.081 690 HD2 LYS 92 HD2 LYS 92 -11.879 24.239 -5.803 691 HD3 LYS 92 HD3 LYS 92 -13.637 24.234 -5.946 692 HE2 LYS 92 HE2 LYS 92 -12.759 25.618 -7.723 693 HE3 LYS 92 HE3 LYS 92 -13.519 26.681 -6.539 694 HZ1 LYS 92 HZ1 LYS 92 -10.647 26.042 -6.353 695 HZ2 LYS 92 HZ2 LYS 92 -11.486 27.383 -5.735 696 HZ3 LYS 92 HZ3 LYS 92 -11.188 27.261 -7.403 697 H GLN 93 H GLN 93 -14.673 23.926 -0.237 698 HA GLN 93 HA GLN 93 -16.768 25.805 -1.059 699 HB2 GLN 93 HB2 GLN 93 -17.392 23.467 -0.742 700 HB3 GLN 93 HB3 GLN 93 -16.782 23.507 0.912 701 HG2 GLN 93 HG2 GLN 93 -18.472 25.036 1.606 702 HG3 GLN 93 HG3 GLN 93 -18.922 25.409 -0.057 703 HE21 GLN 93 HE21 GLN 93 -18.870 22.666 2.275 704 HE22 GLN 93 HE22 GLN 93 -20.222 21.884 1.608 705 H ALA 94 H ALA 94 -14.494 25.263 1.511 706 HA ALA 94 HA ALA 94 -15.775 26.833 3.511 707 HB1 ALA 94 HB1 ALA 94 -12.810 26.306 3.211 708 HB2 ALA 94 HB2 ALA 94 -13.945 25.151 3.912 709 HB3 ALA 94 HB3 ALA 94 -13.681 26.711 4.691 710 H ILE 95 H ILE 95 -12.884 27.568 1.538 711 HA ILE 95 HA ILE 95 -12.811 30.303 2.211 712 HB ILE 95 HB ILE 95 -11.335 30.517 0.204 713 HG12 ILE 95 HG12 ILE 95 -12.111 27.606 -0.151 714 HG13 ILE 95 HG13 ILE 95 -12.458 28.926 -1.268 715 HG21 ILE 95 HG21 ILE 95 -10.700 28.030 1.810 716 HG22 ILE 95 HG22 ILE 95 -10.577 29.655 2.481 717 HG23 ILE 95 HG23 ILE 95 -9.562 29.187 1.119 718 HD11 ILE 95 HD11 ILE 95 -10.524 27.827 -2.146 719 HD12 ILE 95 HD12 ILE 95 -9.761 27.754 -0.558 720 HD13 ILE 95 HD13 ILE 95 -9.931 29.303 -1.382 721 H HIS 96 H HIS 96 -14.776 28.545 -0.028 722 HA HIS 96 HA HIS 96 -15.457 30.742 -1.732 723 HB2 HIS 96 HB2 HIS 96 -15.814 28.428 -2.450 724 HB3 HIS 96 HB3 HIS 96 -16.967 28.184 -1.137 725 HD1 HIS 96 HD1 HIS 96 -19.093 29.938 -1.210 726 HD2 HIS 96 HD2 HIS 96 -16.977 29.400 -4.761 727 HE1 HIS 96 HE1 HIS 96 -20.578 30.807 -3.065 728 HE2 HIS 96 HE2 HIS 96 -19.301 30.494 -5.237 729 H HIS 97 H HIS 97 -16.878 29.311 1.179 730 HA HIS 97 HA HIS 97 -19.148 31.058 1.231 731 HB2 HIS 97 HB2 HIS 97 -19.160 28.849 2.329 732 HB3 HIS 97 HB3 HIS 97 -17.911 29.401 3.445 733 HD1 HIS 97 HD1 HIS 97 -21.551 29.809 2.633 734 HD2 HIS 97 HD2 HIS 97 -18.819 31.218 5.447 735 HE1 HIS 97 HE1 HIS 97 -22.910 30.944 4.441 736 HE2 HIS 97 HE2 HIS 97 -21.261 31.799 6.172 737 H ALA 98 H ALA 98 -15.910 31.596 1.786 738 HA ALA 98 HA ALA 98 -15.912 33.237 4.081 739 HB1 ALA 98 HB1 ALA 98 -14.096 33.510 1.677 740 HB2 ALA 98 HB2 ALA 98 -13.883 32.287 2.930 741 HB3 ALA 98 HB3 ALA 98 -13.755 33.998 3.338 742 H ASN 99 H ASN 99 -16.436 33.972 0.655 743 HA ASN 99 HA ASN 99 -17.784 36.460 1.381 744 HB2 ASN 99 HB2 ASN 99 -16.413 37.801 -0.181 745 HB3 ASN 99 HB3 ASN 99 -15.455 37.181 1.162 746 HD21 ASN 99 HD21 ASN 99 -13.749 35.707 0.679 747 HD22 ASN 99 HD22 ASN 99 -13.365 35.222 -0.903 748 H HIS 100 H HIS 100 -19.470 36.816 0.079 749 HA HIS 100 HA HIS 100 -19.530 36.177 -2.696 750 HB2 HIS 100 HB2 HIS 100 -21.273 34.391 -2.549 751 HB3 HIS 100 HB3 HIS 100 -19.696 33.884 -1.943 752 HD1 HIS 100 HD1 HIS 100 -23.164 33.882 -1.016 753 HD2 HIS 100 HD2 HIS 100 -19.588 34.329 1.080 754 HE1 HIS 100 HE1 HIS 100 -23.698 33.418 1.415 755 HE2 HIS 100 HE2 HIS 100 -21.528 33.684 2.707 756 HA PRO 101 HA PRO 101 -22.848 38.961 -0.908 757 HB2 PRO 101 HB2 PRO 101 -21.930 41.364 -1.788 758 HB3 PRO 101 HB3 PRO 101 -21.321 40.621 -0.299 759 HG2 PRO 101 HG2 PRO 101 -20.107 40.621 -3.036 760 HG3 PRO 101 HG3 PRO 101 -19.335 40.935 -1.474 761 HD2 PRO 101 HD2 PRO 101 -19.208 38.495 -2.734 762 HD3 PRO 101 HD3 PRO 101 -19.159 38.663 -0.966 763 H LYS 102 H LYS 102 -24.594 39.813 -2.086 764 HA LYS 102 HA LYS 102 -26.011 40.010 -3.883 765 HB2 LYS 102 HB2 LYS 102 -24.246 41.730 -4.496 766 HB3 LYS 102 HB3 LYS 102 -23.531 40.496 -5.535 767 HG2 LYS 102 HG2 LYS 102 -25.857 40.246 -6.585 768 HG3 LYS 102 HG3 LYS 102 -26.297 41.719 -5.728 769 HD2 LYS 102 HD2 LYS 102 -23.881 41.599 -7.549 770 HD3 LYS 102 HD3 LYS 102 -25.490 41.976 -8.154 771 HE2 LYS 102 HE2 LYS 102 -24.000 43.503 -5.999 772 HE3 LYS 102 HE3 LYS 102 -24.290 44.044 -7.650 773 HZ1 LYS 102 HZ1 LYS 102 -25.987 45.043 -6.483 774 HZ2 LYS 102 HZ2 LYS 102 -26.215 43.716 -5.448 775 HZ3 LYS 102 HZ3 LYS 102 -26.745 43.638 -7.059 776 H GLU 103 H GLU 103 -26.234 37.624 -3.533 777 HA GLU 103 HA GLU 103 -24.901 35.626 -4.875 778 HB2 GLU 103 HB2 GLU 103 -27.897 35.801 -4.458 779 HB3 GLU 103 HB3 GLU 103 -26.970 34.327 -4.745 780 HG2 GLU 103 HG2 GLU 103 -26.541 36.201 -2.399 781 HG3 GLU 103 HG3 GLU 103 -27.463 34.700 -2.324 782 H ASN 9 H ASN 9 -6.107 36.761 -1.206 783 HA ASN 9 HA ASN 9 -4.176 35.734 -1.444 784 HB2 ASN 9 HB2 ASN 9 -2.897 38.056 0.006 785 HB3 ASN 9 HB3 ASN 9 -2.221 37.086 -1.301 786 HD21 ASN 9 HD21 ASN 9 -2.879 37.582 -3.487 787 HD22 ASN 9 HD22 ASN 9 -3.806 38.954 -3.859 788 H THR 10 H THR 10 -1.800 36.012 0.273 789 HA THR 10 HA THR 10 -2.079 33.831 1.939 790 HB THR 10 HB THR 10 -0.255 36.202 2.407 791 HG1 THR 10 HG1 THR 10 -0.367 34.902 0.287 792 HG21 THR 10 HG21 THR 10 -0.142 33.292 3.250 793 HG22 THR 10 HG22 THR 10 -0.289 34.695 4.308 794 HG23 THR 10 HG23 THR 10 1.205 34.421 3.413 795 H ASP 11 H ASP 11 -3.138 37.083 2.459 796 HA ASP 11 HA ASP 11 -3.262 37.114 5.283 797 HB2 ASP 11 HB2 ASP 11 -4.972 38.886 4.966 798 HB3 ASP 11 HB3 ASP 11 -3.536 39.156 3.980 799 H THR 12 H THR 12 -5.262 35.652 2.839 800 HA THR 12 HA THR 12 -7.504 35.150 4.588 801 HB THR 12 HB THR 12 -6.814 34.010 1.868 802 HG1 THR 12 HG1 THR 12 -7.929 35.661 1.091 803 HG21 THR 12 HG21 THR 12 -9.286 33.869 3.605 804 HG22 THR 12 HG22 THR 12 -8.368 32.529 2.918 805 HG23 THR 12 HG23 THR 12 -9.331 33.570 1.868 806 H LEU 13 H LEU 13 -4.929 33.166 3.125 807 HA LEU 13 HA LEU 13 -5.593 30.682 4.127 808 HB2 LEU 13 HB2 LEU 13 -2.941 32.010 3.590 809 HB3 LEU 13 HB3 LEU 13 -2.995 30.377 4.250 810 HG LEU 13 HG LEU 13 -4.286 29.593 2.351 811 HD11 LEU 13 HD11 LEU 13 -4.680 31.223 0.434 812 HD12 LEU 13 HD12 LEU 13 -4.291 32.518 1.567 813 HD13 LEU 13 HD13 LEU 13 -5.686 31.476 1.860 814 HD21 LEU 13 HD21 LEU 13 -2.045 31.339 1.302 815 HD22 LEU 13 HD22 LEU 13 -2.613 29.808 0.635 816 HD23 LEU 13 HD23 LEU 13 -1.769 29.836 2.183 817 H GLU 14 H GLU 14 -4.729 33.482 5.846 818 HA GLU 14 HA GLU 14 -3.845 32.105 8.260 819 HB2 GLU 14 HB2 GLU 14 -4.419 35.009 7.634 820 HB3 GLU 14 HB3 GLU 14 -3.918 34.435 9.226 821 HG2 GLU 14 HG2 GLU 14 -1.844 33.556 8.313 822 HG3 GLU 14 HG3 GLU 14 -2.356 33.950 6.672 823 H ARG 15 H ARG 15 -6.593 34.174 7.330 824 HA ARG 15 HA ARG 15 -8.036 33.902 9.705 825 HB2 ARG 15 HB2 ARG 15 -9.081 34.383 6.906 826 HB3 ARG 15 HB3 ARG 15 -9.981 34.668 8.395 827 HG2 ARG 15 HG2 ARG 15 -8.020 36.181 9.094 828 HG3 ARG 15 HG3 ARG 15 -7.502 36.091 7.411 829 HD2 ARG 15 HD2 ARG 15 -10.132 37.157 8.466 830 HD3 ARG 15 HD3 ARG 15 -8.866 38.065 7.645 831 HE ARG 15 HE ARG 15 -10.870 36.389 6.398 832 HH11 ARG 15 HH21 ARG 15 -7.739 37.847 6.160 833 HH12 ARG 15 HH22 ARG 15 -7.719 37.847 4.428 834 HH21 ARG 15 HH11 ARG 15 -10.852 36.388 4.129 835 HH22 ARG 15 HH12 ARG 15 -9.483 37.023 3.278 836 H VAL 16 H VAL 16 -8.326 32.019 6.681 837 HA VAL 16 HA VAL 16 -10.498 30.475 7.170 838 HB VAL 16 HB VAL 16 -9.413 28.675 5.888 839 HG11 VAL 16 HG11 VAL 16 -10.275 30.547 4.626 840 HG12 VAL 16 HG12 VAL 16 -8.719 30.100 3.926 841 HG13 VAL 16 HG13 VAL 16 -8.842 31.508 4.980 842 HG21 VAL 16 HG21 VAL 16 -6.940 30.321 6.462 843 HG22 VAL 16 HG22 VAL 16 -7.009 29.125 5.167 844 HG23 VAL 16 HG23 VAL 16 -7.216 28.622 6.845 845 H THR 17 H THR 17 -7.295 30.022 8.618 846 HA THR 17 HA THR 17 -7.814 27.568 9.904 847 HB THR 17 HB THR 17 -5.846 27.989 11.177 848 HG1 THR 17 HG1 THR 17 -5.097 30.370 10.856 849 HG21 THR 17 HG21 THR 17 -4.272 28.586 9.483 850 HG22 THR 17 HG22 THR 17 -5.445 29.609 8.656 851 HG23 THR 17 HG23 THR 17 -5.634 27.855 8.633 852 H GLU 18 H GLU 18 -8.495 30.895 10.809 853 HA GLU 18 HA GLU 18 -9.160 30.374 13.528 854 HB2 GLU 18 HB2 GLU 18 -8.584 32.620 12.631 855 HB3 GLU 18 HB3 GLU 18 -10.103 32.630 11.738 856 HG2 GLU 18 HG2 GLU 18 -10.060 32.178 14.726 857 HG3 GLU 18 HG3 GLU 18 -10.028 33.806 14.055 858 H ILE 19 H ILE 19 -10.831 29.929 10.544 859 HA ILE 19 HA ILE 19 -13.495 29.969 11.617 860 HB ILE 19 HB ILE 19 -12.569 28.607 9.083 861 HG12 ILE 19 HG12 ILE 19 -13.311 31.512 9.560 862 HG13 ILE 19 HG13 ILE 19 -11.709 30.911 9.130 863 HG21 ILE 19 HG21 ILE 19 -14.838 28.975 8.355 864 HG22 ILE 19 HG22 ILE 19 -15.188 29.967 9.770 865 HG23 ILE 19 HG23 ILE 19 -14.917 28.234 9.953 866 HD11 ILE 19 HD11 ILE 19 -12.806 29.896 7.052 867 HD12 ILE 19 HD12 ILE 19 -12.686 31.656 7.081 868 HD13 ILE 19 HD13 ILE 19 -14.222 30.871 7.447 869 H PHE 20 H PHE 20 -11.029 27.512 11.104 870 HA PHE 20 HA PHE 20 -12.796 25.304 11.655 871 HB2 PHE 20 HB2 PHE 20 -9.793 25.547 11.416 872 HB3 PHE 20 HB3 PHE 20 -10.602 24.025 11.794 873 HD1 PHE 20 HD1 PHE 20 -12.391 23.163 10.191 874 HD2 PHE 20 HD2 PHE 20 -9.674 26.332 9.176 875 HE1 PHE 20 HE1 PHE 20 -12.877 22.810 7.786 876 HE2 PHE 20 HE2 PHE 20 -10.164 25.981 6.770 877 HZ PHE 20 HZ PHE 20 -11.766 24.220 6.076 878 H LYS 21 H LYS 21 -9.973 26.613 13.417 879 HA LYS 21 HA LYS 21 -10.140 25.153 15.720 880 HB2 LYS 21 HB2 LYS 21 -8.376 26.829 15.210 881 HB3 LYS 21 HB3 LYS 21 -9.522 28.114 15.593 882 HG2 LYS 21 HG2 LYS 21 -9.739 27.305 17.878 883 HG3 LYS 21 HG3 LYS 21 -8.725 25.908 17.516 884 HD2 LYS 21 HD2 LYS 21 -6.853 27.470 16.957 885 HD3 LYS 21 HD3 LYS 21 -7.870 28.818 17.464 886 HE2 LYS 21 HE2 LYS 21 -8.111 27.669 19.706 887 HE3 LYS 21 HE3 LYS 21 -6.881 26.521 19.174 888 HZ1 LYS 21 HZ1 LYS 21 -5.989 29.130 18.648 889 HZ2 LYS 21 HZ2 LYS 21 -5.319 27.976 19.697 890 HZ3 LYS 21 HZ3 LYS 21 -6.501 29.056 20.265 891 H ALA 22 H ALA 22 -12.185 27.842 14.764 892 HA ALA 22 HA ALA 22 -13.342 28.455 17.237 893 HB1 ALA 22 HB1 ALA 22 -15.298 29.242 15.826 894 HB2 ALA 22 HB2 ALA 22 -14.427 28.623 14.423 895 HB3 ALA 22 HB3 ALA 22 -13.730 29.921 15.393 896 H LEU 23 H LEU 23 -13.768 25.704 15.198 897 HA LEU 23 HA LEU 23 -16.290 24.903 16.479 898 HB2 LEU 23 HB2 LEU 23 -14.741 23.319 14.436 899 HB3 LEU 23 HB3 LEU 23 -16.469 23.275 14.792 900 HG LEU 23 HG LEU 23 -14.945 25.559 13.509 901 HD11 LEU 23 HD11 LEU 23 -15.401 23.718 11.974 902 HD12 LEU 23 HD12 LEU 23 -16.478 25.063 11.601 903 HD13 LEU 23 HD13 LEU 23 -17.087 23.668 12.491 904 HD21 LEU 23 HD21 LEU 23 -17.333 26.483 13.261 905 HD22 LEU 23 HD22 LEU 23 -16.610 26.579 14.867 906 HD23 LEU 23 HD23 LEU 23 -17.790 25.318 14.504 907 H GLY 24 H GLY 24 -13.747 25.042 18.000 908 HA2 GLY 24 HA2 GLY 24 -12.547 22.551 18.357 909 HA3 GLY 24 HA3 GLY 24 -12.634 23.808 19.584 910 H ASP 25 H ASP 25 -14.393 23.806 21.064 911 HA ASP 25 HA ASP 25 -14.999 21.475 22.280 912 HB2 ASP 25 HB2 ASP 25 -15.574 23.880 22.991 913 HB3 ASP 25 HB3 ASP 25 -17.083 23.648 22.113 914 H TYR 26 H TYR 26 -16.727 20.002 22.339 915 HA TYR 26 HA TYR 26 -17.840 19.419 19.723 916 HB2 TYR 26 HB2 TYR 26 -18.624 17.336 20.861 917 HB3 TYR 26 HB3 TYR 26 -16.882 17.591 20.973 918 HD1 TYR 26 HD2 TYR 26 -20.082 17.699 22.812 919 HD2 TYR 26 HD1 TYR 26 -15.820 18.164 23.083 920 HE1 TYR 26 HE2 TYR 26 -20.234 17.657 25.288 921 HE2 TYR 26 HE1 TYR 26 -15.973 18.123 25.558 922 HH TYR 26 HH TYR 26 -18.974 17.353 27.201 923 H ASN 27 H ASN 27 -18.900 21.014 22.560 924 HA ASN 27 HA ASN 27 -21.680 20.283 22.344 925 HB2 ASN 27 HB2 ASN 27 -21.969 22.155 24.022 926 HB3 ASN 27 HB3 ASN 27 -20.894 20.851 24.521 927 HD21 ASN 27 HD21 ASN 27 -20.094 22.741 25.998 928 HD22 ASN 27 HD22 ASN 27 -18.867 23.726 25.361 929 H ARG 28 H ARG 28 -19.709 23.064 21.382 930 HA ARG 28 HA ARG 28 -21.881 24.708 20.583 931 HB2 ARG 28 HB2 ARG 28 -20.151 26.022 19.396 932 HB3 ARG 28 HB3 ARG 28 -19.671 25.642 21.050 933 HG2 ARG 28 HG2 ARG 28 -18.413 23.654 20.145 934 HG3 ARG 28 HG3 ARG 28 -18.768 24.239 18.519 935 HD2 ARG 28 HD2 ARG 28 -17.097 25.563 20.658 936 HD3 ARG 28 HD3 ARG 28 -16.617 25.110 19.024 937 HE ARG 28 HE ARG 28 -18.642 26.922 18.651 938 HH11 ARG 28 HH21 ARG 28 -15.650 26.841 20.386 939 HH12 ARG 28 HH22 ARG 28 -15.352 28.539 20.228 940 HH21 ARG 28 HH11 ARG 28 -18.256 29.151 18.434 941 HH22 ARG 28 HH12 ARG 28 -16.828 29.848 19.125 942 H ILE 29 H ILE 29 -19.896 22.333 18.881 943 HA ILE 29 HA ILE 29 -21.015 22.946 16.299 944 HB ILE 29 HB ILE 29 -18.744 21.970 16.584 945 HG12 ILE 29 HG12 ILE 29 -20.646 20.156 15.071 946 HG13 ILE 29 HG13 ILE 29 -20.076 21.714 14.473 947 HG21 ILE 29 HG21 ILE 29 -19.538 20.439 18.482 948 HG22 ILE 29 HG22 ILE 29 -18.447 19.714 17.301 949 HG23 ILE 29 HG23 ILE 29 -20.178 19.385 17.222 950 HD11 ILE 29 HD11 ILE 29 -18.431 19.242 15.062 951 HD12 ILE 29 HD12 ILE 29 -17.707 20.831 14.812 952 HD13 ILE 29 HD13 ILE 29 -18.627 20.067 13.514 953 H ARG 30 H ARG 30 -21.913 20.960 18.982 954 HA ARG 30 HA ARG 30 -23.521 19.067 17.580 955 HB2 ARG 30 HB2 ARG 30 -22.732 18.716 19.901 956 HB3 ARG 30 HB3 ARG 30 -23.758 20.047 20.438 957 HG2 ARG 30 HG2 ARG 30 -25.756 18.863 19.748 958 HG3 ARG 30 HG3 ARG 30 -24.795 17.589 18.995 959 HD2 ARG 30 HD2 ARG 30 -23.799 17.121 21.267 960 HD3 ARG 30 HD3 ARG 30 -24.969 18.249 21.947 961 HE ARG 30 HE ARG 30 -26.535 16.527 20.546 962 HH11 ARG 30 HH21 ARG 30 -23.988 16.144 22.858 963 HH12 ARG 30 HH22 ARG 30 -24.618 14.671 23.513 964 HH21 ARG 30 HH11 ARG 30 -27.370 14.599 21.405 965 HH22 ARG 30 HH12 ARG 30 -26.533 13.796 22.692 966 H ILE 31 H ILE 31 -23.977 22.339 18.683 967 HA ILE 31 HA ILE 31 -26.849 22.335 18.414 968 HB ILE 31 HB ILE 31 -24.876 24.629 18.577 969 HG12 ILE 31 HG12 ILE 31 -26.719 23.550 20.721 970 HG13 ILE 31 HG13 ILE 31 -25.052 23.000 20.543 971 HG21 ILE 31 HG21 ILE 31 -27.898 24.495 18.704 972 HG22 ILE 31 HG22 ILE 31 -26.910 25.434 17.585 973 HG23 ILE 31 HG23 ILE 31 -26.975 25.878 19.289 974 HD11 ILE 31 HD11 ILE 31 -24.291 25.370 20.739 975 HD12 ILE 31 HD12 ILE 31 -25.130 24.806 22.184 976 HD13 ILE 31 HD13 ILE 31 -25.962 25.853 21.034 977 H MET 32 H MET 32 -24.083 23.339 16.445 978 HA MET 32 HA MET 32 -25.467 24.579 14.347 979 HB2 MET 32 HB2 MET 32 -22.893 22.987 14.322 980 HB3 MET 32 HB3 MET 32 -23.474 23.953 12.965 981 HG2 MET 32 HG2 MET 32 -23.350 25.981 14.251 982 HG3 MET 32 HG3 MET 32 -23.060 25.087 15.743 983 HE1 MET 32 HE1 MET 32 -20.694 25.768 16.642 984 HE2 MET 32 HE2 MET 32 -21.369 27.112 15.721 985 HE3 MET 32 HE3 MET 32 -19.670 26.680 15.532 986 H GLU 33 H GLU 33 -25.001 21.214 15.144 987 HA GLU 33 HA GLU 33 -25.860 20.148 12.623 988 HB2 GLU 33 HB2 GLU 33 -25.703 18.944 15.396 989 HB3 GLU 33 HB3 GLU 33 -26.167 18.034 13.958 990 HG2 GLU 33 HG2 GLU 33 -24.017 18.576 12.901 991 HG3 GLU 33 HG3 GLU 33 -23.556 19.540 14.302 992 H LEU 34 H LEU 34 -27.417 21.277 15.525 993 HA LEU 34 HA LEU 34 -29.973 20.105 15.061 994 HB2 LEU 34 HB2 LEU 34 -28.914 21.221 17.208 995 HB3 LEU 34 HB3 LEU 34 -29.602 22.695 16.553 996 HG LEU 34 HG LEU 34 -31.207 21.774 18.065 997 HD11 LEU 34 HD11 LEU 34 -32.189 20.962 15.331 998 HD12 LEU 34 HD12 LEU 34 -31.971 22.650 15.799 999 HD13 LEU 34 HD13 LEU 34 -33.119 21.634 16.669 1000 HD21 LEU 34 HD21 LEU 34 -30.187 19.347 17.728 1001 HD22 LEU 34 HD22 LEU 34 -31.492 19.193 16.556 1002 HD23 LEU 34 HD23 LEU 34 -31.856 19.569 18.234 1003 H LEU 35 H LEU 35 -28.753 23.424 14.583 1004 HA LEU 35 HA LEU 35 -30.987 24.512 13.334 1005 HB2 LEU 35 HB2 LEU 35 -28.152 25.176 12.541 1006 HB3 LEU 35 HB3 LEU 35 -29.560 26.237 12.535 1007 HG LEU 35 HG LEU 35 -28.160 25.084 14.964 1008 HD11 LEU 35 HD11 LEU 35 -27.706 27.436 15.472 1009 HD12 LEU 35 HD12 LEU 35 -28.601 27.938 14.037 1010 HD13 LEU 35 HD13 LEU 35 -27.091 27.043 13.866 1011 HD21 LEU 35 HD21 LEU 35 -30.459 25.064 15.545 1012 HD22 LEU 35 HD22 LEU 35 -30.785 26.554 14.659 1013 HD23 LEU 35 HD23 LEU 35 -29.871 26.604 16.166 1014 H SER 36 H SER 36 -28.695 22.212 12.112 1015 HA SER 36 HA SER 36 -29.130 22.709 9.330 1016 HB2 SER 36 HB2 SER 36 -28.214 20.140 10.642 1017 HB3 SER 36 HB3 SER 36 -27.959 20.628 8.967 1018 HG SER 36 HG SER 36 -26.675 22.324 9.702 1019 H VAL 37 H VAL 37 -30.371 20.253 11.596 1020 HA VAL 37 HA VAL 37 -32.063 18.912 9.811 1021 HB VAL 37 HB VAL 37 -32.450 19.370 12.781 1022 HG11 VAL 37 HG11 VAL 37 -34.492 18.533 11.823 1023 HG12 VAL 37 HG12 VAL 37 -33.677 17.159 12.570 1024 HG13 VAL 37 HG13 VAL 37 -33.616 17.376 10.821 1025 HG21 VAL 37 HG21 VAL 37 -30.277 18.376 12.332 1026 HG22 VAL 37 HG22 VAL 37 -30.997 17.218 11.212 1027 HG23 VAL 37 HG23 VAL 37 -31.353 17.116 12.936 1028 H SER 38 H SER 38 -32.520 21.867 11.663 1029 HA SER 38 HA SER 38 -34.370 23.049 9.996 1030 HB2 SER 38 HB2 SER 38 -36.107 21.532 10.315 1031 HB3 SER 38 HB3 SER 38 -35.601 21.151 11.959 1032 HG SER 38 HG SER 38 -36.825 23.540 11.045 1033 H GLU 39 H GLU 39 -35.287 24.998 10.878 1034 HA GLU 39 HA GLU 39 -33.636 26.198 12.880 1035 HB2 GLU 39 HB2 GLU 39 -35.217 28.133 12.615 1036 HB3 GLU 39 HB3 GLU 39 -34.503 27.579 11.101 1037 HG2 GLU 39 HG2 GLU 39 -36.518 26.302 10.577 1038 HG3 GLU 39 HG3 GLU 39 -37.225 26.730 12.134 1039 H ALA 40 H ALA 40 -34.432 27.201 14.860 1040 HA ALA 40 HA ALA 40 -36.924 26.239 16.000 1041 HB1 ALA 40 HB1 ALA 40 -34.249 25.324 17.080 1042 HB2 ALA 40 HB2 ALA 40 -35.534 24.303 16.431 1043 HB3 ALA 40 HB3 ALA 40 -35.778 25.171 17.946 1044 H SER 41 H SER 41 -37.047 26.967 18.376 1045 HA SER 41 HA SER 41 -36.130 29.756 18.511 1046 HB2 SER 41 HB2 SER 41 -37.762 29.993 20.292 1047 HB3 SER 41 HB3 SER 41 -38.525 29.213 18.906 1048 HG SER 41 HG SER 41 -39.014 27.706 20.269 1049 H VAL 42 H VAL 42 -35.062 30.586 20.339 1050 HA VAL 42 HA VAL 42 -32.913 29.157 21.304 1051 HB VAL 42 HB VAL 42 -33.140 31.612 21.453 1052 HG11 VAL 42 HG11 VAL 42 -34.561 32.672 23.018 1053 HG12 VAL 42 HG12 VAL 42 -34.865 31.173 23.894 1054 HG13 VAL 42 HG13 VAL 42 -35.574 31.423 22.298 1055 HG21 VAL 42 HG21 VAL 42 -32.012 31.855 23.582 1056 HG22 VAL 42 HG22 VAL 42 -31.523 30.314 22.876 1057 HG23 VAL 42 HG23 VAL 42 -32.716 30.349 24.174 1058 H GLY 43 H GLY 43 -36.050 29.661 22.926 1059 HA2 GLY 43 HA2 GLY 43 -35.396 28.251 25.274 1060 HA3 GLY 43 HA3 GLY 43 -37.026 28.589 24.708 1061 H HIS 44 H HIS 44 -36.600 27.158 22.157 1062 HA HIS 44 HA HIS 44 -37.439 24.585 23.081 1063 HB2 HIS 44 HB2 HIS 44 -38.347 25.704 21.049 1064 HB3 HIS 44 HB3 HIS 44 -36.791 25.458 20.259 1065 HD1 HIS 44 HD1 HIS 44 -39.956 23.768 21.039 1066 HD2 HIS 44 HD2 HIS 44 -36.101 22.602 19.964 1067 HE1 HIS 44 HE1 HIS 44 -40.120 21.353 20.302 1068 HE2 HIS 44 HE2 HIS 44 -37.779 20.625 19.641 1069 H ILE 45 H ILE 45 -34.477 25.836 21.618 1070 HA ILE 45 HA ILE 45 -33.329 23.186 21.324 1071 HB ILE 45 HB ILE 45 -31.309 24.371 20.570 1072 HG12 ILE 45 HG12 ILE 45 -31.596 26.893 20.222 1073 HG13 ILE 45 HG13 ILE 45 -32.941 26.804 21.350 1074 HG21 ILE 45 HG21 ILE 45 -33.029 23.850 18.952 1075 HG22 ILE 45 HG22 ILE 45 -32.398 25.458 18.592 1076 HG23 ILE 45 HG23 ILE 45 -33.950 25.283 19.410 1077 HD11 ILE 45 HD11 ILE 45 -30.404 25.580 22.324 1078 HD12 ILE 45 HD12 ILE 45 -31.564 26.611 23.158 1079 HD13 ILE 45 HD13 ILE 45 -30.375 27.320 22.077 1080 H SER 46 H SER 46 -33.668 25.393 23.866 1081 HA SER 46 HA SER 46 -31.257 25.045 25.277 1082 HB2 SER 46 HB2 SER 46 -32.660 26.735 26.108 1083 HB3 SER 46 HB3 SER 46 -34.078 25.688 26.102 1084 HG SER 46 HG SER 46 -33.404 24.723 27.904 1085 H HIS 47 H HIS 47 -33.468 22.764 24.345 1086 HA HIS 47 HA HIS 47 -33.358 21.055 26.687 1087 HB2 HIS 47 HB2 HIS 47 -34.401 20.566 23.887 1088 HB3 HIS 47 HB3 HIS 47 -34.569 19.445 25.239 1089 HD1 HIS 47 HD1 HIS 47 -34.785 22.785 26.544 1090 HD2 HIS 47 HD2 HIS 47 -37.465 20.209 24.655 1091 HE1 HIS 47 HE1 HIS 47 -37.102 23.666 27.052 1092 HE2 HIS 47 HE2 HIS 47 -38.749 22.103 25.917 1093 H GLN 48 H GLN 48 -31.302 21.773 24.148 1094 HA GLN 48 HA GLN 48 -30.165 19.157 23.713 1095 HB2 GLN 48 HB2 GLN 48 -29.152 21.938 23.069 1096 HB3 GLN 48 HB3 GLN 48 -28.333 20.453 22.589 1097 HG2 GLN 48 HG2 GLN 48 -30.542 19.765 21.487 1098 HG3 GLN 48 HG3 GLN 48 -31.063 21.431 21.732 1099 HE21 GLN 48 HE21 GLN 48 -28.800 19.372 19.945 1100 HE22 GLN 48 HE22 GLN 48 -28.313 20.570 18.844 1101 H LEU 49 H LEU 49 -28.997 22.102 25.356 1102 HA LEU 49 HA LEU 49 -28.022 20.707 27.609 1103 HB2 LEU 49 HB2 LEU 49 -25.580 21.039 27.218 1104 HB3 LEU 49 HB3 LEU 49 -26.327 19.813 26.210 1105 HG LEU 49 HG LEU 49 -26.609 21.885 24.515 1106 HD11 LEU 49 HD11 LEU 49 -24.503 23.265 24.606 1107 HD12 LEU 49 HD12 LEU 49 -24.229 22.651 26.233 1108 HD13 LEU 49 HD13 LEU 49 -25.655 23.628 25.885 1109 HD21 LEU 49 HD21 LEU 49 -23.993 20.414 24.926 1110 HD22 LEU 49 HD22 LEU 49 -24.504 21.217 23.441 1111 HD23 LEU 49 HD23 LEU 49 -25.385 19.807 24.028 1112 H ASN 50 H ASN 50 -28.413 23.491 25.686 1113 HA ASN 50 HA ASN 50 -27.219 25.336 27.609 1114 HB2 ASN 50 HB2 ASN 50 -28.801 25.775 25.065 1115 HB3 ASN 50 HB3 ASN 50 -28.141 27.071 26.059 1116 HD21 ASN 50 HD21 ASN 50 -25.632 26.676 26.562 1117 HD22 ASN 50 HD22 ASN 50 -24.708 26.192 25.223 1118 H LEU 51 H LEU 51 -28.357 26.673 28.991 1119 HA LEU 51 HA LEU 51 -31.283 26.585 29.030 1120 HB2 LEU 51 HB2 LEU 51 -31.024 26.090 31.606 1121 HB3 LEU 51 HB3 LEU 51 -31.010 24.760 30.455 1122 HG LEU 51 HG LEU 51 -28.579 24.701 30.466 1123 HD11 LEU 51 HD11 LEU 51 -27.933 26.971 30.721 1124 HD12 LEU 51 HD12 LEU 51 -27.413 26.195 32.215 1125 HD13 LEU 51 HD13 LEU 51 -28.887 27.162 32.192 1126 HD21 LEU 51 HD21 LEU 51 -28.235 23.963 32.762 1127 HD22 LEU 51 HD22 LEU 51 -29.855 23.495 32.245 1128 HD23 LEU 51 HD23 LEU 51 -29.635 24.889 33.302 1129 H SER 52 H SER 52 -29.196 28.580 28.506 1130 HA SER 52 HA SER 52 -30.098 30.619 30.436 1131 HB2 SER 52 HB2 SER 52 -27.981 30.087 31.363 1132 HB3 SER 52 HB3 SER 52 -27.236 29.932 29.772 1133 HG SER 52 HG SER 52 -26.697 31.933 30.139 1134 H GLN 53 H GLN 53 -31.368 31.593 28.907 1135 HA GLN 53 HA GLN 53 -30.898 32.022 26.234 1136 HB2 GLN 53 HB2 GLN 53 -32.352 34.033 26.460 1137 HB3 GLN 53 HB3 GLN 53 -33.013 32.612 27.270 1138 HG2 GLN 53 HG2 GLN 53 -31.960 33.440 29.407 1139 HG3 GLN 53 HG3 GLN 53 -31.539 34.926 28.557 1140 HE21 GLN 53 HE21 GLN 53 -34.538 32.908 28.556 1141 HE22 GLN 53 HE22 GLN 53 -35.571 34.196 28.951 1142 H SER 54 H SER 54 -29.181 33.351 28.878 1143 HA SER 54 HA SER 54 -28.228 35.707 27.468 1144 HB2 SER 54 HB2 SER 54 -28.601 35.714 29.921 1145 HB3 SER 54 HB3 SER 54 -27.327 34.507 30.097 1146 HG SER 54 HG SER 54 -26.070 36.181 30.187 1147 H ASN 55 H ASN 55 -26.950 32.548 28.450 1148 HA ASN 55 HA ASN 55 -24.291 33.089 27.534 1149 HB2 ASN 55 HB2 ASN 55 -25.650 30.448 28.121 1150 HB3 ASN 55 HB3 ASN 55 -23.917 30.687 27.905 1151 HD21 ASN 55 HD21 ASN 55 -23.971 33.330 29.338 1152 HD22 ASN 55 HD22 ASN 55 -24.144 32.943 30.982 1153 H VAL 56 H VAL 56 -27.066 31.337 26.175 1154 HA VAL 56 HA VAL 56 -25.662 30.458 23.846 1155 HB VAL 56 HB VAL 56 -27.701 29.351 24.775 1156 HG11 VAL 56 HG11 VAL 56 -29.239 31.601 23.469 1157 HG12 VAL 56 HG12 VAL 56 -28.843 31.614 25.187 1158 HG13 VAL 56 HG13 VAL 56 -29.852 30.328 24.525 1159 HG21 VAL 56 HG21 VAL 56 -28.689 28.856 22.603 1160 HG22 VAL 56 HG22 VAL 56 -26.943 29.022 22.415 1161 HG23 VAL 56 HG23 VAL 56 -28.013 30.336 21.923 1162 H SER 57 H SER 57 -27.895 33.143 24.510 1163 HA SER 57 HA SER 57 -28.102 34.127 21.886 1164 HB2 SER 57 HB2 SER 57 -29.574 34.901 23.671 1165 HB3 SER 57 HB3 SER 57 -28.204 35.627 24.516 1166 HG SER 57 HG SER 57 -28.950 37.281 23.370 1167 H HIS 58 H HIS 58 -25.533 34.272 24.187 1168 HA HIS 58 HA HIS 58 -24.146 36.491 22.939 1169 HB2 HIS 58 HB2 HIS 58 -23.876 35.962 25.354 1170 HB3 HIS 58 HB3 HIS 58 -23.114 34.435 24.910 1171 HD1 HIS 58 HD1 HIS 58 -22.633 38.145 24.114 1172 HD2 HIS 58 HD2 HIS 58 -20.379 34.678 24.649 1173 HE1 HIS 58 HE1 HIS 58 -20.205 38.834 23.932 1174 HE2 HIS 58 HE2 HIS 58 -18.816 36.733 24.246 1175 H GLN 59 H GLN 59 -23.531 32.987 23.235 1176 HA GLN 59 HA GLN 59 -21.329 32.731 21.613 1177 HB2 GLN 59 HB2 GLN 59 -22.458 30.890 22.892 1178 HB3 GLN 59 HB3 GLN 59 -23.676 30.821 21.619 1179 HG2 GLN 59 HG2 GLN 59 -21.932 30.331 19.957 1180 HG3 GLN 59 HG3 GLN 59 -20.695 30.440 21.206 1181 HE21 GLN 59 HE21 GLN 59 -20.062 28.188 21.017 1182 HE22 GLN 59 HE22 GLN 59 -21.087 26.928 21.509 1183 H LEU 60 H LEU 60 -24.739 32.616 20.564 1184 HA LEU 60 HA LEU 60 -24.306 32.230 17.844 1185 HB2 LEU 60 HB2 LEU 60 -26.487 33.790 19.240 1186 HB3 LEU 60 HB3 LEU 60 -26.539 33.328 17.543 1187 HG LEU 60 HG LEU 60 -26.099 31.245 19.689 1188 HD11 LEU 60 HD11 LEU 60 -28.594 30.839 19.551 1189 HD12 LEU 60 HD12 LEU 60 -28.731 32.402 18.748 1190 HD13 LEU 60 HD13 LEU 60 -28.128 32.312 20.402 1191 HD21 LEU 60 HD21 LEU 60 -27.306 29.840 17.959 1192 HD22 LEU 60 HD22 LEU 60 -25.731 30.435 17.450 1193 HD23 LEU 60 HD23 LEU 60 -27.201 31.211 16.862 1194 H LYS 61 H LYS 61 -24.075 35.172 19.752 1195 HA LYS 61 HA LYS 61 -24.055 36.973 17.543 1196 HB2 LYS 61 HB2 LYS 61 -24.499 37.563 19.968 1197 HB3 LYS 61 HB3 LYS 61 -22.759 37.437 20.233 1198 HG2 LYS 61 HG2 LYS 61 -22.497 39.074 18.277 1199 HG3 LYS 61 HG3 LYS 61 -24.230 39.359 18.417 1200 HD2 LYS 61 HD2 LYS 61 -22.213 39.712 20.658 1201 HD3 LYS 61 HD3 LYS 61 -22.896 41.022 19.700 1202 HE2 LYS 61 HE2 LYS 61 -24.327 39.194 21.635 1203 HE3 LYS 61 HE3 LYS 61 -24.200 40.950 21.689 1204 HZ1 LYS 61 HZ1 LYS 61 -26.197 40.865 20.713 1205 HZ2 LYS 61 HZ2 LYS 61 -25.987 39.276 20.152 1206 HZ3 LYS 61 HZ3 LYS 61 -25.314 40.576 19.291 1207 H LEU 62 H LEU 62 -21.533 35.240 19.314 1208 HA LEU 62 HA LEU 62 -19.339 36.557 18.045 1209 HB2 LEU 62 HB2 LEU 62 -19.267 33.772 19.203 1210 HB3 LEU 62 HB3 LEU 62 -17.960 34.952 19.111 1211 HG LEU 62 HG LEU 62 -20.449 35.126 20.832 1212 HD11 LEU 62 HD11 LEU 62 -18.841 35.053 22.681 1213 HD12 LEU 62 HD12 LEU 62 -17.502 34.985 21.536 1214 HD13 LEU 62 HD13 LEU 62 -18.635 33.638 21.650 1215 HD21 LEU 62 HD21 LEU 62 -18.281 37.139 20.210 1216 HD22 LEU 62 HD22 LEU 62 -19.226 37.224 21.697 1217 HD23 LEU 62 HD23 LEU 62 -20.029 37.359 20.133 1218 H LEU 63 H LEU 63 -21.235 33.671 17.322 1219 HA LEU 63 HA LEU 63 -19.510 32.821 15.181 1220 HB2 LEU 63 HB2 LEU 63 -21.177 31.422 16.640 1221 HB3 LEU 63 HB3 LEU 63 -22.382 31.968 15.485 1222 HG LEU 63 HG LEU 63 -20.596 31.128 13.695 1223 HD11 LEU 63 HD11 LEU 63 -19.232 29.298 14.415 1224 HD12 LEU 63 HD12 LEU 63 -19.983 29.277 16.009 1225 HD13 LEU 63 HD13 LEU 63 -18.920 30.605 15.556 1226 HD21 LEU 63 HD21 LEU 63 -21.619 28.814 13.858 1227 HD22 LEU 63 HD22 LEU 63 -22.778 30.143 13.808 1228 HD23 LEU 63 HD23 LEU 63 -22.411 29.352 15.341 1229 H LYS 64 H LYS 64 -22.318 34.868 15.505 1230 HA LYS 64 HA LYS 64 -23.283 34.966 12.920 1231 HB2 LYS 64 HB2 LYS 64 -23.956 36.240 15.141 1232 HB3 LYS 64 HB3 LYS 64 -22.960 37.526 14.476 1233 HG2 LYS 64 HG2 LYS 64 -25.372 36.234 13.171 1234 HG3 LYS 64 HG3 LYS 64 -25.262 37.877 13.798 1235 HD2 LYS 64 HD2 LYS 64 -23.300 38.159 12.115 1236 HD3 LYS 64 HD3 LYS 64 -23.932 36.695 11.360 1237 HE2 LYS 64 HE2 LYS 64 -24.893 38.660 10.268 1238 HE3 LYS 64 HE3 LYS 64 -26.153 37.793 11.147 1239 HZ1 LYS 64 HZ1 LYS 64 -26.075 39.350 12.896 1240 HZ2 LYS 64 HZ2 LYS 64 -26.112 40.264 11.464 1241 HZ3 LYS 64 HZ3 LYS 64 -24.652 40.067 12.310 1242 H SER 65 H SER 65 -20.631 36.891 14.321 1243 HA SER 65 HA SER 65 -19.931 38.411 12.118 1244 HB2 SER 65 HB2 SER 65 -17.868 38.781 13.175 1245 HB3 SER 65 HB3 SER 65 -18.938 38.374 14.514 1246 HG SER 65 HG SER 65 -18.158 36.257 14.430 1247 H VAL 66 H VAL 66 -19.041 35.066 12.871 1248 HA VAL 66 HA VAL 66 -17.224 34.717 10.723 1249 HB VAL 66 HB VAL 66 -18.917 32.531 11.938 1250 HG11 VAL 66 HG11 VAL 66 -17.503 31.839 10.071 1251 HG12 VAL 66 HG12 VAL 66 -16.802 31.239 11.570 1252 HG13 VAL 66 HG13 VAL 66 -16.113 32.657 10.782 1253 HG21 VAL 66 HG21 VAL 66 -17.165 32.358 13.680 1254 HG22 VAL 66 HG22 VAL 66 -17.996 33.910 13.762 1255 HG23 VAL 66 HG23 VAL 66 -16.393 33.806 13.036 1256 H HIS 67 H HIS 67 -20.376 35.479 10.638 1257 HA HIS 67 HA HIS 67 -21.846 35.713 8.927 1258 HB2 HIS 67 HB2 HIS 67 -19.598 35.868 7.624 1259 HB3 HIS 67 HB3 HIS 67 -19.974 34.237 7.076 1260 HD1 HIS 67 HD1 HIS 67 -21.303 37.771 6.939 1261 HD2 HIS 67 HD2 HIS 67 -22.012 34.076 5.144 1262 HE1 HIS 67 HE1 HIS 67 -22.926 38.196 5.045 1263 HE2 HIS 67 HE2 HIS 67 -23.364 35.956 3.934 1264 H LEU 68 H LEU 68 -21.439 33.048 10.509 1265 HA LEU 68 HA LEU 68 -22.714 31.130 8.714 1266 HB2 LEU 68 HB2 LEU 68 -21.727 31.086 11.555 1267 HB3 LEU 68 HB3 LEU 68 -22.839 29.835 11.008 1268 HG LEU 68 HG LEU 68 -21.326 29.110 9.299 1269 HD11 LEU 68 HD11 LEU 68 -20.399 31.088 8.401 1270 HD12 LEU 68 HD12 LEU 68 -19.026 30.302 9.172 1271 HD13 LEU 68 HD13 LEU 68 -19.839 31.646 9.976 1272 HD21 LEU 68 HD21 LEU 68 -19.370 28.461 10.653 1273 HD22 LEU 68 HD22 LEU 68 -20.856 28.319 11.590 1274 HD23 LEU 68 HD23 LEU 68 -19.782 29.695 11.844 1275 H VAL 69 H VAL 69 -23.872 31.120 11.934 1276 HA VAL 69 HA VAL 69 -26.553 31.061 11.249 1277 HB VAL 69 HB VAL 69 -26.996 31.641 13.636 1278 HG11 VAL 69 HG11 VAL 69 -25.550 29.726 14.554 1279 HG12 VAL 69 HG12 VAL 69 -24.879 29.605 12.926 1280 HG13 VAL 69 HG13 VAL 69 -26.602 29.340 13.192 1281 HG21 VAL 69 HG21 VAL 69 -25.274 33.265 14.063 1282 HG22 VAL 69 HG22 VAL 69 -24.006 32.131 13.600 1283 HG23 VAL 69 HG23 VAL 69 -24.924 31.869 15.083 1284 H LYS 70 H LYS 70 -28.265 32.590 11.595 1285 HA LYS 70 HA LYS 70 -27.605 35.427 11.739 1286 HB2 LYS 70 HB2 LYS 70 -27.353 34.845 9.327 1287 HB3 LYS 70 HB3 LYS 70 -29.024 34.283 9.321 1288 HG2 LYS 70 HG2 LYS 70 -29.858 36.473 9.804 1289 HG3 LYS 70 HG3 LYS 70 -28.247 37.074 10.193 1290 HD2 LYS 70 HD2 LYS 70 -27.543 36.895 7.895 1291 HD3 LYS 70 HD3 LYS 70 -29.020 36.038 7.454 1292 HE2 LYS 70 HE2 LYS 70 -29.025 38.844 8.589 1293 HE3 LYS 70 HE3 LYS 70 -28.983 38.510 6.858 1294 HZ1 LYS 70 HZ1 LYS 70 -31.245 38.857 7.928 1295 HZ2 LYS 70 HZ2 LYS 70 -31.037 37.318 8.617 1296 HZ3 LYS 70 HZ3 LYS 70 -31.064 37.497 6.928 1297 H ALA 71 H ALA 71 -29.114 36.409 12.911 1298 HA ALA 71 HA ALA 71 -31.692 35.043 13.397 1299 HB1 ALA 71 HB1 ALA 71 -31.811 36.481 15.388 1300 HB2 ALA 71 HB2 ALA 71 -30.290 37.246 14.929 1301 HB3 ALA 71 HB3 ALA 71 -30.320 35.538 15.370 1302 H LYS 72 H LYS 72 -33.564 35.907 12.774 1303 HA LYS 72 HA LYS 72 -33.610 38.674 11.683 1304 HB2 LYS 72 HB2 LYS 72 -35.365 37.850 10.142 1305 HB3 LYS 72 HB3 LYS 72 -33.825 37.027 9.891 1306 HG2 LYS 72 HG2 LYS 72 -34.628 35.163 11.344 1307 HG3 LYS 72 HG3 LYS 72 -36.191 35.971 11.469 1308 HD2 LYS 72 HD2 LYS 72 -36.470 35.839 9.029 1309 HD3 LYS 72 HD3 LYS 72 -34.892 35.066 8.881 1310 HE2 LYS 72 HE2 LYS 72 -35.753 33.247 10.425 1311 HE3 LYS 72 HE3 LYS 72 -37.354 33.969 10.263 1312 HZ1 LYS 72 HZ1 LYS 72 -37.070 32.206 8.665 1313 HZ2 LYS 72 HZ2 LYS 72 -35.665 32.935 8.050 1314 HZ3 LYS 72 HZ3 LYS 72 -37.172 33.694 7.854 1315 H ARG 73 H ARG 73 -35.730 39.709 11.799 1316 HA ARG 73 HA ARG 73 -37.030 39.173 14.370 1317 HB2 ARG 73 HB2 ARG 73 -38.282 41.338 13.679 1318 HB3 ARG 73 HB3 ARG 73 -36.575 41.457 14.102 1319 HG2 ARG 73 HG2 ARG 73 -35.917 41.513 11.792 1320 HG3 ARG 73 HG3 ARG 73 -37.546 41.104 11.256 1321 HD2 ARG 73 HD2 ARG 73 -37.177 43.501 10.977 1322 HD3 ARG 73 HD3 ARG 73 -38.374 43.232 12.242 1323 HE ARG 73 HE ARG 73 -35.909 43.369 13.519 1324 HH11 ARG 73 HH21 ARG 73 -37.910 45.356 11.513 1325 HH12 ARG 73 HH22 ARG 73 -37.365 46.846 12.209 1326 HH21 ARG 73 HH11 ARG 73 -35.189 45.319 14.434 1327 HH22 ARG 73 HH12 ARG 73 -35.823 46.825 13.861 1328 H GLN 74 H GLN 74 -38.825 38.004 14.515 1329 HA GLN 74 HA GLN 74 -40.863 38.109 12.427 1330 HB2 GLN 74 HB2 GLN 74 -39.227 36.280 11.788 1331 HB3 GLN 74 HB3 GLN 74 -39.713 35.442 13.263 1332 HG2 GLN 74 HG2 GLN 74 -42.068 35.486 12.499 1333 HG3 GLN 74 HG3 GLN 74 -41.562 36.289 11.014 1334 HE21 GLN 74 HE21 GLN 74 -42.486 33.326 12.017 1335 HE22 GLN 74 HE22 GLN 74 -41.517 32.347 11.026 1336 H GLY 75 H GLY 75 -42.465 38.774 13.736 1337 HA2 GLY 75 HA2 GLY 75 -44.047 38.749 15.405 1338 HA3 GLY 75 HA3 GLY 75 -43.822 37.004 15.411 1339 H GLN 76 H GLN 76 -41.742 39.757 16.336 1340 HA GLN 76 HA GLN 76 -40.512 40.161 18.228 1341 HB2 GLN 76 HB2 GLN 76 -42.925 38.800 19.443 1342 HB3 GLN 76 HB3 GLN 76 -41.674 39.610 20.384 1343 HG2 GLN 76 HG2 GLN 76 -42.110 41.703 19.113 1344 HG3 GLN 76 HG3 GLN 76 -43.410 40.885 18.248 1345 HE21 GLN 76 HE21 GLN 76 -42.499 42.341 21.321 1346 HE22 GLN 76 HE22 GLN 76 -44.028 42.206 22.045 1347 H SER 77 H SER 77 -40.752 37.208 16.951 1348 HA SER 77 HA SER 77 -39.199 35.820 19.066 1349 HB2 SER 77 HB2 SER 77 -39.977 33.793 18.208 1350 HB3 SER 77 HB3 SER 77 -41.379 34.842 18.003 1351 HG SER 77 HG SER 77 -40.078 33.512 16.150 1352 H MET 78 H MET 78 -37.078 35.773 18.774 1353 HA MET 78 HA MET 78 -35.904 36.395 16.181 1354 HB2 MET 78 HB2 MET 78 -34.754 35.901 18.930 1355 HB3 MET 78 HB3 MET 78 -33.748 36.151 17.503 1356 HG2 MET 78 HG2 MET 78 -34.630 38.349 17.154 1357 HG3 MET 78 HG3 MET 78 -35.925 38.087 18.322 1358 HE1 MET 78 HE1 MET 78 -35.614 40.029 19.868 1359 HE2 MET 78 HE2 MET 78 -34.560 40.627 18.587 1360 HE3 MET 78 HE3 MET 78 -34.042 40.723 20.270 1361 H ILE 79 H ILE 79 -36.506 34.559 14.965 1362 HA ILE 79 HA ILE 79 -35.687 31.910 15.809 1363 HB ILE 79 HB ILE 79 -36.777 32.931 13.176 1364 HG12 ILE 79 HG12 ILE 79 -38.101 31.274 15.341 1365 HG13 ILE 79 HG13 ILE 79 -38.268 33.026 15.223 1366 HG21 ILE 79 HG21 ILE 79 -36.126 30.151 14.181 1367 HG22 ILE 79 HG22 ILE 79 -35.530 30.933 12.719 1368 HG23 ILE 79 HG23 ILE 79 -37.218 30.441 12.828 1369 HD11 ILE 79 HD11 ILE 79 -39.091 30.979 13.143 1370 HD12 ILE 79 HD12 ILE 79 -39.122 32.722 12.880 1371 HD13 ILE 79 HD13 ILE 79 -40.163 31.996 14.105 1372 H TYR 80 H TYR 80 -34.168 30.599 14.657 1373 HA TYR 80 HA TYR 80 -32.019 32.105 13.257 1374 HB2 TYR 80 HB2 TYR 80 -31.544 29.717 15.034 1375 HB3 TYR 80 HB3 TYR 80 -30.377 30.896 14.437 1376 HD1 TYR 80 HD2 TYR 80 -33.129 30.303 16.831 1377 HD2 TYR 80 HD1 TYR 80 -30.134 33.071 15.482 1378 HE1 TYR 80 HE2 TYR 80 -33.478 31.672 18.868 1379 HE2 TYR 80 HE1 TYR 80 -30.480 34.438 17.523 1380 HH TYR 80 HH TYR 80 -31.574 33.607 20.127 1381 H SER 81 H SER 81 -31.240 31.219 11.433 1382 HA SER 81 HA SER 81 -31.806 28.422 10.756 1383 HB2 SER 81 HB2 SER 81 -32.579 30.665 8.880 1384 HB3 SER 81 HB3 SER 81 -32.881 28.939 8.681 1385 HG SER 81 HG SER 81 -34.077 30.779 10.435 1386 H LEU 82 H LEU 82 -30.866 28.063 8.410 1387 HA LEU 82 HA LEU 82 -28.075 28.603 8.607 1388 HB2 LEU 82 HB2 LEU 82 -29.462 27.624 6.115 1389 HB3 LEU 82 HB3 LEU 82 -27.838 27.249 6.690 1390 HG LEU 82 HG LEU 82 -30.453 26.364 7.944 1391 HD11 LEU 82 HD11 LEU 82 -28.177 24.736 6.781 1392 HD12 LEU 82 HD12 LEU 82 -29.635 25.159 5.882 1393 HD13 LEU 82 HD13 LEU 82 -29.748 24.141 7.317 1394 HD21 LEU 82 HD21 LEU 82 -28.977 26.774 9.765 1395 HD22 LEU 82 HD22 LEU 82 -27.584 26.157 8.876 1396 HD23 LEU 82 HD23 LEU 82 -28.831 25.047 9.443 1397 H ASP 83 H ASP 83 -26.790 29.564 6.822 1398 HA ASP 83 HA ASP 83 -27.805 32.201 6.190 1399 HB2 ASP 83 HB2 ASP 83 -25.445 31.783 6.900 1400 HB3 ASP 83 HB3 ASP 83 -25.183 30.921 5.385 1401 H ASP 84 H ASP 84 -26.765 29.325 4.371 1402 HA ASP 84 HA ASP 84 -28.654 29.731 2.293 1403 HB2 ASP 84 HB2 ASP 84 -26.899 31.563 1.860 1404 HB3 ASP 84 HB3 ASP 84 -25.811 30.251 1.419 1405 H ILE 85 H ILE 85 -27.501 28.425 0.196 1406 HA ILE 85 HA ILE 85 -27.302 25.733 1.213 1407 HB ILE 85 HB ILE 85 -26.819 26.606 -1.636 1408 HG12 ILE 85 HG12 ILE 85 -28.868 27.703 -1.000 1409 HG13 ILE 85 HG13 ILE 85 -29.301 26.272 -1.932 1410 HG21 ILE 85 HG21 ILE 85 -27.808 24.389 -2.113 1411 HG22 ILE 85 HG22 ILE 85 -27.988 24.105 -0.381 1412 HG23 ILE 85 HG23 ILE 85 -26.379 24.252 -1.088 1413 HD11 ILE 85 HD11 ILE 85 -30.756 26.258 -0.049 1414 HD12 ILE 85 HD12 ILE 85 -29.448 26.658 1.062 1415 HD13 ILE 85 HD13 ILE 85 -29.516 25.060 0.319 1416 H HIS 86 H HIS 86 -25.368 25.807 2.451 1417 HA HIS 86 HA HIS 86 -23.000 25.207 0.899 1418 HB2 HIS 86 HB2 HIS 86 -23.155 27.689 2.617 1419 HB3 HIS 86 HB3 HIS 86 -21.627 26.929 2.177 1420 HD1 HIS 86 HD1 HIS 86 -23.535 29.632 1.113 1421 HD2 HIS 86 HD2 HIS 86 -21.849 26.424 -0.948 1422 HE1 HIS 86 HE1 HIS 86 -23.358 30.352 -1.305 1423 HE2 HIS 86 HE2 HIS 86 -22.317 28.415 -2.575 1424 H VAL 87 H VAL 87 -22.982 26.531 4.150 1425 HA VAL 87 HA VAL 87 -21.451 24.617 5.327 1426 HB VAL 87 HB VAL 87 -22.531 25.272 7.493 1427 HG11 VAL 87 HG11 VAL 87 -21.804 27.593 7.376 1428 HG12 VAL 87 HG12 VAL 87 -21.963 27.588 5.619 1429 HG13 VAL 87 HG13 VAL 87 -20.718 26.607 6.395 1430 HG21 VAL 87 HG21 VAL 87 -24.287 27.003 7.409 1431 HG22 VAL 87 HG22 VAL 87 -24.831 25.522 6.622 1432 HG23 VAL 87 HG23 VAL 87 -24.311 26.898 5.649 1433 H ALA 88 H ALA 88 -24.732 24.253 4.335 1434 HA ALA 88 HA ALA 88 -25.619 22.258 6.096 1435 HB1 ALA 88 HB1 ALA 88 -27.182 21.631 4.281 1436 HB2 ALA 88 HB2 ALA 88 -26.274 22.651 3.165 1437 HB3 ALA 88 HB3 ALA 88 -27.124 23.376 4.530 1438 H THR 89 H THR 89 -24.151 21.864 2.862 1439 HA THR 89 HA THR 89 -23.973 19.040 3.029 1440 HB THR 89 HB THR 89 -22.562 19.208 1.046 1441 HG1 THR 89 HG1 THR 89 -22.441 21.738 0.558 1442 HG21 THR 89 HG21 THR 89 -24.848 21.193 1.158 1443 HG22 THR 89 HG22 THR 89 -24.928 19.504 0.659 1444 HG23 THR 89 HG23 THR 89 -24.075 20.679 -0.341 1445 H MET 90 H MET 90 -21.837 21.632 4.041 1446 HA MET 90 HA MET 90 -19.411 20.315 4.259 1447 HB2 MET 90 HB2 MET 90 -19.760 22.728 4.742 1448 HB3 MET 90 HB3 MET 90 -20.550 22.285 6.256 1449 HG2 MET 90 HG2 MET 90 -18.538 21.291 7.111 1450 HG3 MET 90 HG3 MET 90 -17.746 21.398 5.540 1451 HE1 MET 90 HE1 MET 90 -16.061 23.884 8.195 1452 HE2 MET 90 HE2 MET 90 -15.768 22.464 7.193 1453 HE3 MET 90 HE3 MET 90 -16.924 22.379 8.520 1454 H LEU 91 H LEU 91 -21.953 20.535 6.755 1455 HA LEU 91 HA LEU 91 -20.732 18.918 8.678 1456 HB2 LEU 91 HB2 LEU 91 -23.704 19.043 8.130 1457 HB3 LEU 91 HB3 LEU 91 -22.918 18.661 9.659 1458 HG LEU 91 HG LEU 91 -22.651 21.317 8.219 1459 HD11 LEU 91 HD11 LEU 91 -24.333 20.588 10.633 1460 HD12 LEU 91 HD12 LEU 91 -24.966 20.876 9.013 1461 HD13 LEU 91 HD13 LEU 91 -24.195 22.188 9.904 1462 HD21 LEU 91 HD21 LEU 91 -20.761 21.053 9.620 1463 HD22 LEU 91 HD22 LEU 91 -21.697 20.244 10.877 1464 HD23 LEU 91 HD23 LEU 91 -21.892 21.974 10.604 1465 H LYS 92 H LYS 92 -22.869 18.021 5.984 1466 HA LYS 92 HA LYS 92 -22.974 15.252 6.599 1467 HB2 LYS 92 HB2 LYS 92 -24.547 16.466 5.065 1468 HB3 LYS 92 HB3 LYS 92 -23.248 16.540 3.874 1469 HG2 LYS 92 HG2 LYS 92 -23.141 14.137 3.732 1470 HG3 LYS 92 HG3 LYS 92 -24.237 13.953 5.102 1471 HD2 LYS 92 HD2 LYS 92 -26.063 14.942 3.832 1472 HD3 LYS 92 HD3 LYS 92 -24.980 15.294 2.485 1473 HE2 LYS 92 HE2 LYS 92 -25.404 12.485 3.519 1474 HE3 LYS 92 HE3 LYS 92 -26.418 13.186 2.257 1475 HZ1 LYS 92 HZ1 LYS 92 -24.654 13.330 0.799 1476 HZ2 LYS 92 HZ2 LYS 92 -24.336 11.861 1.589 1477 HZ3 LYS 92 HZ3 LYS 92 -23.481 13.262 2.025 1478 H GLN 93 H GLN 93 -21.303 16.773 3.842 1479 HA GLN 93 HA GLN 93 -19.759 14.740 2.964 1480 HB2 GLN 93 HB2 GLN 93 -19.839 17.164 2.144 1481 HB3 GLN 93 HB3 GLN 93 -18.586 17.496 3.338 1482 HG2 GLN 93 HG2 GLN 93 -17.387 17.020 1.355 1483 HG3 GLN 93 HG3 GLN 93 -17.306 15.522 2.277 1484 HE21 GLN 93 HE21 GLN 93 -18.696 13.717 1.560 1485 HE22 GLN 93 HE22 GLN 93 -19.337 13.698 -0.012 1486 H ALA 94 H ALA 94 -19.351 16.441 5.975 1487 HA ALA 94 HA ALA 94 -16.656 15.636 6.472 1488 HB1 ALA 94 HB1 ALA 94 -16.970 16.529 8.659 1489 HB2 ALA 94 HB2 ALA 94 -18.721 16.352 8.555 1490 HB3 ALA 94 HB3 ALA 94 -17.897 17.564 7.573 1491 H ILE 95 H ILE 95 -19.569 14.670 8.291 1492 HA ILE 95 HA ILE 95 -18.380 12.396 9.438 1493 HB ILE 95 HB ILE 95 -20.433 13.496 10.302 1494 HG12 ILE 95 HG12 ILE 95 -21.007 10.609 9.603 1495 HG13 ILE 95 HG13 ILE 95 -19.772 11.063 10.777 1496 HG21 ILE 95 HG21 ILE 95 -22.556 13.164 9.220 1497 HG22 ILE 95 HG22 ILE 95 -21.846 12.067 8.036 1498 HG23 ILE 95 HG23 ILE 95 -21.448 13.785 7.997 1499 HD11 ILE 95 HD11 ILE 95 -21.371 12.083 12.219 1500 HD12 ILE 95 HD12 ILE 95 -22.103 10.558 11.719 1501 HD13 ILE 95 HD13 ILE 95 -22.617 12.069 10.969 1502 H HIS 96 H HIS 96 -19.635 12.923 6.288 1503 HA HIS 96 HA HIS 96 -20.220 10.164 5.689 1504 HB2 HIS 96 HB2 HIS 96 -21.239 12.141 4.491 1505 HB3 HIS 96 HB3 HIS 96 -19.668 12.406 3.734 1506 HD1 HIS 96 HD1 HIS 96 -21.625 9.187 4.357 1507 HD2 HIS 96 HD2 HIS 96 -19.884 11.298 1.212 1508 HE1 HIS 96 HE1 HIS 96 -21.905 7.751 2.292 1509 HE2 HIS 96 HE2 HIS 96 -20.852 9.024 0.364 1510 H HIS 97 H HIS 97 -17.423 12.196 5.711 1511 HA HIS 97 HA HIS 97 -15.821 10.696 3.883 1512 HB2 HIS 97 HB2 HIS 97 -15.295 13.023 4.479 1513 HB3 HIS 97 HB3 HIS 97 -15.005 12.536 6.148 1514 HD1 HIS 97 HD1 HIS 97 -13.418 12.668 2.812 1515 HD2 HIS 97 HD2 HIS 97 -12.662 10.824 6.473 1516 HE1 HIS 97 HE1 HIS 97 -10.998 11.930 2.754 1517 HE2 HIS 97 HE2 HIS 97 -10.527 10.779 4.967 1518 H ALA 98 H ALA 98 -15.774 10.900 7.452 1519 HA ALA 98 HA ALA 98 -13.917 8.846 7.866 1520 HB1 ALA 98 HB1 ALA 98 -14.549 10.429 9.624 1521 HB2 ALA 98 HB2 ALA 98 -14.806 8.773 10.171 1522 HB3 ALA 98 HB3 ALA 98 -16.179 9.756 9.663 1523 H ASN 99 H ASN 99 -17.478 8.719 7.893 1524 HA ASN 99 HA ASN 99 -17.509 5.861 8.280 1525 HB2 ASN 99 HB2 ASN 99 -19.281 7.522 9.073 1526 HB3 ASN 99 HB3 ASN 99 -19.825 7.582 7.397 1527 HD21 ASN 99 HD21 ASN 99 -21.690 6.602 9.139 1528 HD22 ASN 99 HD22 ASN 99 -21.822 4.915 9.011 1529 H HIS 100 H HIS 100 -18.082 4.282 6.807 1530 HA HIS 100 HA HIS 100 -18.789 4.914 4.099 1531 HB2 HIS 100 HB2 HIS 100 -16.003 3.957 4.765 1532 HB3 HIS 100 HB3 HIS 100 -16.725 3.648 3.188 1533 HD1 HIS 100 HD1 HIS 100 -18.063 6.184 2.438 1534 HD2 HIS 100 HD2 HIS 100 -14.412 6.186 4.451 1535 HE1 HIS 100 HE1 HIS 100 -16.979 8.417 1.949 1536 HE2 HIS 100 HE2 HIS 100 -14.751 8.436 3.166 1537 HA PRO 101 HA PRO 101 -20.353 0.792 4.678 1538 HB2 PRO 101 HB2 PRO 101 -20.986 0.054 2.147 1539 HB3 PRO 101 HB3 PRO 101 -21.834 1.380 2.964 1540 HG2 PRO 101 HG2 PRO 101 -19.579 1.519 0.995 1541 HG3 PRO 101 HG3 PRO 101 -21.092 2.440 1.023 1542 HD2 PRO 101 HD2 PRO 101 -18.736 3.449 2.003 1543 HD3 PRO 101 HD3 PRO 101 -20.321 3.900 2.667 1544 H LYS 102 H LYS 102 -18.114 0.982 1.898 1545 HA LYS 102 HA LYS 102 -17.361 -1.653 1.682 1546 HB2 LYS 102 HB2 LYS 102 -15.366 0.601 1.469 1547 HB3 LYS 102 HB3 LYS 102 -15.424 -0.900 0.543 1548 HG2 LYS 102 HG2 LYS 102 -17.704 -0.094 -0.318 1549 HG3 LYS 102 HG3 LYS 102 -17.279 1.480 0.356 1550 HD2 LYS 102 HD2 LYS 102 -15.724 -0.066 -1.740 1551 HD3 LYS 102 HD3 LYS 102 -16.640 1.418 -1.996 1552 HE2 LYS 102 HE2 LYS 102 -15.107 2.462 -0.202 1553 HE3 LYS 102 HE3 LYS 102 -14.081 1.045 -0.435 1554 HZ1 LYS 102 HZ1 LYS 102 -14.441 3.331 -2.120 1555 HZ2 LYS 102 HZ2 LYS 102 -14.639 1.868 -2.963 1556 HZ3 LYS 102 HZ3 LYS 102 -13.199 2.173 -2.114 1557 H GLU 103 H GLU 103 -15.193 0.676 3.276 1558 HA GLU 103 HA GLU 103 -13.572 -1.081 4.598 1559 HB2 GLU 103 HB2 GLU 103 -13.419 1.465 4.532 1560 HB3 GLU 103 HB3 GLU 103 -14.542 1.470 5.892 1561 HG2 GLU 103 HG2 GLU 103 -12.351 1.533 6.848 1562 HG3 GLU 103 HG3 GLU 103 -12.930 -0.117 7.065 Start of MODEL 7 1 H ASN 9 H ASN 9 -23.186 8.331 20.589 2 HA ASN 9 HA ASN 9 -21.060 6.439 21.243 3 HB2 ASN 9 HB2 ASN 9 -21.541 8.198 18.826 4 HB3 ASN 9 HB3 ASN 9 -20.503 6.777 18.920 5 HD21 ASN 9 HD21 ASN 9 -21.809 5.772 17.170 6 HD22 ASN 9 HD22 ASN 9 -23.335 5.116 17.521 7 H THR 10 H THR 10 -20.906 8.405 23.078 8 HA THR 10 HA THR 10 -19.669 10.797 22.572 9 HB THR 10 HB THR 10 -18.495 10.461 24.779 10 HG1 THR 10 HG1 THR 10 -18.141 8.328 24.884 11 HG21 THR 10 HG21 THR 10 -20.584 10.386 26.068 12 HG22 THR 10 HG22 THR 10 -21.429 9.693 24.683 13 HG23 THR 10 HG23 THR 10 -20.809 11.342 24.604 14 H ASP 11 H ASP 11 -18.457 7.667 21.919 15 HA ASP 11 HA ASP 11 -15.656 8.362 21.955 16 HB2 ASP 11 HB2 ASP 11 -16.359 6.051 22.342 17 HB3 ASP 11 HB3 ASP 11 -17.107 5.994 20.747 18 H THR 12 H THR 12 -17.789 7.318 19.284 19 HA THR 12 HA THR 12 -16.118 8.168 17.206 20 HB THR 12 HB THR 12 -18.062 7.972 15.770 21 HG1 THR 12 HG1 THR 12 -19.325 8.607 18.114 22 HG21 THR 12 HG21 THR 12 -18.317 5.955 18.017 23 HG22 THR 12 HG22 THR 12 -17.043 5.904 16.798 24 HG23 THR 12 HG23 THR 12 -18.730 5.716 16.319 25 H LEU 13 H LEU 13 -18.353 9.937 19.214 26 HA LEU 13 HA LEU 13 -18.761 12.208 17.630 27 HB2 LEU 13 HB2 LEU 13 -19.753 11.468 19.957 28 HB3 LEU 13 HB3 LEU 13 -18.437 12.422 20.614 29 HG LEU 13 HG LEU 13 -20.329 13.866 20.478 30 HD11 LEU 13 HD11 LEU 13 -18.083 14.726 19.679 31 HD12 LEU 13 HD12 LEU 13 -19.487 15.642 19.132 32 HD13 LEU 13 HD13 LEU 13 -18.686 14.524 18.032 33 HD21 LEU 13 HD21 LEU 13 -20.668 13.524 17.511 34 HD22 LEU 13 HD22 LEU 13 -21.823 14.053 18.725 35 HD23 LEU 13 HD23 LEU 13 -21.409 12.350 18.595 36 H GLU 14 H GLU 14 -16.405 11.816 20.285 37 HA GLU 14 HA GLU 14 -15.013 14.165 19.988 38 HB2 GLU 14 HB2 GLU 14 -14.729 12.362 21.762 39 HB3 GLU 14 HB3 GLU 14 -13.673 11.534 20.619 40 HG2 GLU 14 HG2 GLU 14 -12.262 12.874 22.029 41 HG3 GLU 14 HG3 GLU 14 -12.329 13.677 20.464 42 H ARG 15 H ARG 15 -14.953 11.394 17.879 43 HA ARG 15 HA ARG 15 -12.440 12.081 16.627 44 HB2 ARG 15 HB2 ARG 15 -14.624 10.191 15.721 45 HB3 ARG 15 HB3 ARG 15 -13.007 10.306 15.030 46 HG2 ARG 15 HG2 ARG 15 -12.128 9.846 17.394 47 HG3 ARG 15 HG3 ARG 15 -13.783 9.392 17.806 48 HD2 ARG 15 HD2 ARG 15 -13.715 7.791 15.837 49 HD3 ARG 15 HD3 ARG 15 -11.987 8.122 15.727 50 HE ARG 15 HE ARG 15 -12.627 7.380 18.381 51 HH11 ARG 15 HH21 ARG 15 -12.404 6.113 15.169 52 HH12 ARG 15 HH22 ARG 15 -12.008 4.507 15.680 53 HH21 ARG 15 HH11 ARG 15 -12.105 5.277 19.060 54 HH22 ARG 15 HH12 ARG 15 -11.832 4.035 17.884 55 H VAL 16 H VAL 16 -15.736 13.030 16.286 56 HA VAL 16 HA VAL 16 -15.711 13.791 13.549 57 HB VAL 16 HB VAL 16 -17.340 14.926 15.838 58 HG11 VAL 16 HG11 VAL 16 -18.918 15.457 13.904 59 HG12 VAL 16 HG12 VAL 16 -17.568 15.108 12.824 60 HG13 VAL 16 HG13 VAL 16 -17.453 16.437 13.979 61 HG21 VAL 16 HG21 VAL 16 -17.658 12.511 15.591 62 HG22 VAL 16 HG22 VAL 16 -17.895 12.697 13.854 63 HG23 VAL 16 HG23 VAL 16 -19.079 13.359 14.982 64 H THR 17 H THR 17 -14.243 15.094 16.343 65 HA THR 17 HA THR 17 -13.909 17.783 15.229 66 HB THR 17 HB THR 17 -12.880 18.333 17.309 67 HG1 THR 17 HG1 THR 17 -11.690 16.895 18.228 68 HG21 THR 17 HG21 THR 17 -14.604 17.760 18.882 69 HG22 THR 17 HG22 THR 17 -15.015 16.297 17.988 70 HG23 THR 17 HG23 THR 17 -15.376 17.881 17.301 71 H GLU 18 H GLU 18 -11.734 15.235 16.467 72 HA GLU 18 HA GLU 18 -9.315 16.131 15.758 73 HB2 GLU 18 HB2 GLU 18 -9.845 13.896 16.779 74 HB3 GLU 18 HB3 GLU 18 -10.173 13.297 15.153 75 HG2 GLU 18 HG2 GLU 18 -7.882 13.943 14.467 76 HG3 GLU 18 HG3 GLU 18 -7.558 14.502 16.107 77 H ILE 19 H ILE 19 -11.697 14.880 13.468 78 HA ILE 19 HA ILE 19 -9.965 14.638 11.250 79 HB ILE 19 HB ILE 19 -12.128 14.953 9.909 80 HG12 ILE 19 HG12 ILE 19 -13.340 14.863 12.681 81 HG13 ILE 19 HG13 ILE 19 -13.205 16.345 11.735 82 HG21 ILE 19 HG21 ILE 19 -13.003 12.769 10.637 83 HG22 ILE 19 HG22 ILE 19 -12.084 12.893 12.138 84 HG23 ILE 19 HG23 ILE 19 -11.240 12.745 10.596 85 HD11 ILE 19 HD11 ILE 19 -14.468 15.179 9.885 86 HD12 ILE 19 HD12 ILE 19 -15.412 15.434 11.354 87 HD13 ILE 19 HD13 ILE 19 -14.746 13.840 10.999 88 H PHE 20 H PHE 20 -11.716 17.386 12.586 89 HA PHE 20 HA PHE 20 -11.045 19.138 10.385 90 HB2 PHE 20 HB2 PHE 20 -12.273 19.588 13.110 91 HB3 PHE 20 HB3 PHE 20 -11.923 20.908 11.997 92 HD1 PHE 20 HD1 PHE 20 -12.806 20.614 9.543 93 HD2 PHE 20 HD2 PHE 20 -14.343 18.474 12.936 94 HE1 PHE 20 HE1 PHE 20 -14.903 20.154 8.302 95 HE2 PHE 20 HE2 PHE 20 -16.442 18.020 11.697 96 HZ PHE 20 HZ PHE 20 -16.722 18.857 9.380 97 H LYS 21 H LYS 21 -10.169 19.119 13.848 98 HA LYS 21 HA LYS 21 -8.227 21.079 13.798 99 HB2 LYS 21 HB2 LYS 21 -7.798 18.581 15.429 100 HB3 LYS 21 HB3 LYS 21 -7.444 20.251 15.852 101 HG2 LYS 21 HG2 LYS 21 -10.191 18.990 15.610 102 HG3 LYS 21 HG3 LYS 21 -9.393 19.483 17.093 103 HD2 LYS 21 HD2 LYS 21 -10.286 21.323 14.853 104 HD3 LYS 21 HD3 LYS 21 -11.028 21.168 16.441 105 HE2 LYS 21 HE2 LYS 21 -8.376 22.395 15.721 106 HE3 LYS 21 HE3 LYS 21 -9.671 23.056 16.713 107 HZ1 LYS 21 HZ1 LYS 21 -7.571 21.161 17.420 108 HZ2 LYS 21 HZ2 LYS 21 -9.093 20.928 18.139 109 HZ3 LYS 21 HZ3 LYS 21 -8.272 22.402 18.344 110 H ALA 22 H ALA 22 -8.051 17.820 12.590 111 HA ALA 22 HA ALA 22 -5.316 17.387 12.458 112 HB1 ALA 22 HB1 ALA 22 -6.785 15.629 11.802 113 HB2 ALA 22 HB2 ALA 22 -5.872 16.063 10.357 114 HB3 ALA 22 HB3 ALA 22 -7.533 16.623 10.553 115 H LEU 23 H LEU 23 -7.290 19.598 10.644 116 HA LEU 23 HA LEU 23 -5.157 20.173 8.701 117 HB2 LEU 23 HB2 LEU 23 -8.031 21.041 9.000 118 HB3 LEU 23 HB3 LEU 23 -6.936 21.844 7.877 119 HG LEU 23 HG LEU 23 -6.532 19.767 6.694 120 HD11 LEU 23 HD11 LEU 23 -8.128 18.570 8.963 121 HD12 LEU 23 HD12 LEU 23 -6.530 18.105 8.378 122 HD13 LEU 23 HD13 LEU 23 -7.960 17.736 7.419 123 HD21 LEU 23 HD21 LEU 23 -8.505 20.993 5.990 124 HD22 LEU 23 HD22 LEU 23 -9.468 20.257 7.271 125 HD23 LEU 23 HD23 LEU 23 -8.873 19.269 5.936 126 H GLY 24 H GLY 24 -6.392 21.256 11.694 127 HA2 GLY 24 HA2 GLY 24 -5.953 23.996 11.640 128 HA3 GLY 24 HA3 GLY 24 -5.833 23.003 13.087 129 H ASP 25 H ASP 25 -3.989 23.980 10.206 130 HA ASP 25 HA ASP 25 -1.728 24.795 11.687 131 HB2 ASP 25 HB2 ASP 25 -1.583 22.236 11.867 132 HB3 ASP 25 HB3 ASP 25 -1.221 22.253 10.145 133 H TYR 26 H TYR 26 -0.883 26.337 10.488 134 HA TYR 26 HA TYR 26 -1.708 27.032 7.964 135 HB2 TYR 26 HB2 TYR 26 -0.489 28.494 9.576 136 HB3 TYR 26 HB3 TYR 26 1.004 27.660 9.146 137 HD1 TYR 26 HD1 TYR 26 1.908 27.813 6.830 138 HD2 TYR 26 HD2 TYR 26 -1.503 30.096 8.096 139 HE1 TYR 26 HE1 TYR 26 2.187 29.312 4.875 140 HE2 TYR 26 HE2 TYR 26 -1.227 31.595 6.138 141 HH TYR 26 HH TYR 26 1.428 31.936 4.452 142 H ASN 27 H ASN 27 0.941 24.859 8.810 143 HA ASN 27 HA ASN 27 2.038 24.879 6.138 144 HB2 ASN 27 HB2 ASN 27 3.684 23.391 6.961 145 HB3 ASN 27 HB3 ASN 27 3.363 24.532 8.263 146 HD21 ASN 27 HD21 ASN 27 2.613 23.681 10.248 147 HD22 ASN 27 HD22 ASN 27 2.247 22.042 10.489 148 H ARG 28 H ARG 28 0.000 22.667 8.020 149 HA ARG 28 HA ARG 28 0.081 20.580 6.066 150 HB2 ARG 28 HB2 ARG 28 -1.943 21.064 8.263 151 HB3 ARG 28 HB3 ARG 28 -1.727 19.565 7.362 152 HG2 ARG 28 HG2 ARG 28 0.582 19.380 8.210 153 HG3 ARG 28 HG3 ARG 28 0.371 20.879 9.116 154 HD2 ARG 28 HD2 ARG 28 -1.526 19.827 10.344 155 HD3 ARG 28 HD3 ARG 28 -1.213 18.320 9.488 156 HE ARG 28 HE ARG 28 1.188 19.083 10.692 157 HH11 ARG 28 HH21 ARG 28 -2.041 18.202 11.569 158 HH12 ARG 28 HH22 ARG 28 -1.590 17.528 13.100 159 HH21 ARG 28 HH11 ARG 28 1.788 18.205 12.700 160 HH22 ARG 28 HH12 ARG 28 0.577 17.533 13.742 161 H ILE 29 H ILE 29 -2.022 23.336 6.653 162 HA ILE 29 HA ILE 29 -4.119 22.440 4.941 163 HB ILE 29 HB ILE 29 -4.424 24.071 6.797 164 HG12 ILE 29 HG12 ILE 29 -5.894 25.638 5.531 165 HG13 ILE 29 HG13 ILE 29 -5.194 25.051 4.029 166 HG21 ILE 29 HG21 ILE 29 -3.678 26.345 6.563 167 HG22 ILE 29 HG22 ILE 29 -3.122 26.053 4.915 168 HG23 ILE 29 HG23 ILE 29 -2.281 25.308 6.275 169 HD11 ILE 29 HD11 ILE 29 -6.358 23.044 5.940 170 HD12 ILE 29 HD12 ILE 29 -6.257 22.994 4.179 171 HD13 ILE 29 HD13 ILE 29 -7.447 24.025 4.964 172 H ARG 30 H ARG 30 -1.275 24.516 4.457 173 HA ARG 30 HA ARG 30 -2.093 25.506 1.927 174 HB2 ARG 30 HB2 ARG 30 -0.384 26.571 3.402 175 HB3 ARG 30 HB3 ARG 30 0.716 25.246 3.021 176 HG2 ARG 30 HG2 ARG 30 0.611 25.814 0.637 177 HG3 ARG 30 HG3 ARG 30 -0.547 27.100 0.979 178 HD2 ARG 30 HD2 ARG 30 1.077 28.352 2.220 179 HD3 ARG 30 HD3 ARG 30 2.203 26.997 2.234 180 HE ARG 30 HE ARG 30 1.789 27.552 -0.435 181 HH11 ARG 30 HH21 ARG 30 2.832 29.270 2.380 182 HH12 ARG 30 HH22 ARG 30 3.888 30.333 1.510 183 HH21 ARG 30 HH11 ARG 30 3.174 28.939 -1.584 184 HH22 ARG 30 HH12 ARG 30 4.083 30.144 -0.735 185 H ILE 31 H ILE 31 -0.280 22.649 2.926 186 HA ILE 31 HA ILE 31 0.599 22.006 0.256 187 HB ILE 31 HB ILE 31 1.210 19.807 1.274 188 HG12 ILE 31 HG12 ILE 31 0.081 21.088 3.781 189 HG13 ILE 31 HG13 ILE 31 -0.632 19.721 2.926 190 HG21 ILE 31 HG21 ILE 31 2.677 21.875 1.341 191 HG22 ILE 31 HG22 ILE 31 3.002 20.698 2.614 192 HG23 ILE 31 HG23 ILE 31 2.079 22.157 2.976 193 HD11 ILE 31 HD11 ILE 31 0.636 18.754 4.696 194 HD12 ILE 31 HD12 ILE 31 2.005 19.824 4.400 195 HD13 ILE 31 HD13 ILE 31 1.625 18.541 3.252 196 H MET 32 H MET 32 -2.243 21.494 2.150 197 HA MET 32 HA MET 32 -3.294 19.249 0.731 198 HB2 MET 32 HB2 MET 32 -4.054 20.095 3.004 199 HB3 MET 32 HB3 MET 32 -4.880 21.398 2.149 200 HG2 MET 32 HG2 MET 32 -6.527 19.706 2.426 201 HG3 MET 32 HG3 MET 32 -5.997 19.551 0.752 202 HE1 MET 32 HE1 MET 32 -7.241 17.618 3.357 203 HE2 MET 32 HE2 MET 32 -6.783 16.041 2.717 204 HE3 MET 32 HE3 MET 32 -7.506 17.246 1.653 205 H GLU 33 H GLU 33 -3.431 22.742 0.308 206 HA GLU 33 HA GLU 33 -5.433 22.777 -1.709 207 HB2 GLU 33 HB2 GLU 33 -4.643 24.754 -0.344 208 HB3 GLU 33 HB3 GLU 33 -3.192 24.776 -1.347 209 HG2 GLU 33 HG2 GLU 33 -4.533 25.105 -3.354 210 HG3 GLU 33 HG3 GLU 33 -6.022 24.947 -2.424 211 H LEU 34 H LEU 34 -2.006 22.150 -1.721 212 HA LEU 34 HA LEU 34 -1.642 22.526 -4.538 213 HB2 LEU 34 HB2 LEU 34 0.106 22.500 -2.571 214 HB3 LEU 34 HB3 LEU 34 0.135 20.771 -2.858 215 HG LEU 34 HG LEU 34 1.899 21.728 -4.151 216 HD11 LEU 34 HD11 LEU 34 1.376 20.934 -6.325 217 HD12 LEU 34 HD12 LEU 34 -0.338 21.289 -6.127 218 HD13 LEU 34 HD13 LEU 34 0.403 19.974 -5.213 219 HD21 LEU 34 HD21 LEU 34 0.072 23.495 -5.755 220 HD22 LEU 34 HD22 LEU 34 1.798 23.629 -5.460 221 HD23 LEU 34 HD23 LEU 34 0.660 24.068 -4.195 222 H LEU 35 H LEU 35 -1.626 19.566 -2.528 223 HA LEU 35 HA LEU 35 -1.640 17.697 -4.572 224 HB2 LEU 35 HB2 LEU 35 -3.180 17.454 -1.979 225 HB3 LEU 35 HB3 LEU 35 -2.585 16.132 -2.978 226 HG LEU 35 HG LEU 35 -0.807 18.205 -1.660 227 HD11 LEU 35 HD11 LEU 35 -1.443 15.361 -0.823 228 HD12 LEU 35 HD12 LEU 35 -1.972 16.820 0.014 229 HD13 LEU 35 HD13 LEU 35 -0.257 16.415 -0.053 230 HD21 LEU 35 HD21 LEU 35 0.384 17.299 -3.488 231 HD22 LEU 35 HD22 LEU 35 -0.306 15.693 -3.260 232 HD23 LEU 35 HD23 LEU 35 0.899 16.305 -2.130 233 H SER 36 H SER 36 -4.095 19.919 -3.712 234 HA SER 36 HA SER 36 -6.334 18.422 -4.699 235 HB2 SER 36 HB2 SER 36 -6.073 21.418 -4.350 236 HB3 SER 36 HB3 SER 36 -7.570 20.495 -4.475 237 HG SER 36 HG SER 36 -6.071 19.413 -2.570 238 H VAL 37 H VAL 37 -4.838 21.409 -5.969 239 HA VAL 37 HA VAL 37 -6.041 21.348 -8.474 240 HB VAL 37 HB VAL 37 -4.012 22.714 -9.199 241 HG11 VAL 37 HG11 VAL 37 -4.638 24.612 -7.751 242 HG12 VAL 37 HG12 VAL 37 -5.451 23.504 -6.647 243 HG13 VAL 37 HG13 VAL 37 -6.069 23.730 -8.284 244 HG21 VAL 37 HG21 VAL 37 -2.405 21.649 -7.637 245 HG22 VAL 37 HG22 VAL 37 -3.302 22.323 -6.275 246 HG23 VAL 37 HG23 VAL 37 -2.475 23.396 -7.405 247 H SER 38 H SER 38 -3.084 19.761 -7.360 248 HA SER 38 HA SER 38 -3.260 17.767 -9.397 249 HB2 SER 38 HB2 SER 38 -1.416 18.320 -10.768 250 HB3 SER 38 HB3 SER 38 -2.314 19.828 -10.611 251 HG SER 38 HG SER 38 -0.522 20.603 -9.869 252 H GLU 39 H GLU 39 -1.770 16.074 -9.088 253 HA GLU 39 HA GLU 39 -0.904 15.698 -6.414 254 HB2 GLU 39 HB2 GLU 39 0.064 14.144 -8.816 255 HB3 GLU 39 HB3 GLU 39 -0.074 13.587 -7.150 256 HG2 GLU 39 HG2 GLU 39 -2.536 13.870 -7.280 257 HG3 GLU 39 HG3 GLU 39 -2.376 14.365 -8.963 258 H ALA 40 H ALA 40 1.409 15.014 -5.912 259 HA ALA 40 HA ALA 40 3.500 16.326 -7.439 260 HB1 ALA 40 HB1 ALA 40 2.742 18.239 -6.189 261 HB2 ALA 40 HB2 ALA 40 4.245 17.681 -5.455 262 HB3 ALA 40 HB3 ALA 40 2.700 17.308 -4.691 263 H SER 41 H SER 41 5.525 15.530 -6.976 264 HA SER 41 HA SER 41 5.609 13.049 -5.492 265 HB2 SER 41 HB2 SER 41 6.851 13.452 -7.648 266 HB3 SER 41 HB3 SER 41 7.910 14.548 -6.760 267 HG SER 41 HG SER 41 7.498 11.780 -6.334 268 H VAL 42 H VAL 42 7.593 12.710 -4.026 269 HA VAL 42 HA VAL 42 7.275 14.292 -1.735 270 HB VAL 42 HB VAL 42 8.109 12.028 -1.580 271 HG11 VAL 42 HG11 VAL 42 10.754 12.896 -2.743 272 HG12 VAL 42 HG12 VAL 42 9.468 12.288 -3.785 273 HG13 VAL 42 HG13 VAL 42 10.126 11.268 -2.509 274 HG21 VAL 42 HG21 VAL 42 10.335 13.893 -0.733 275 HG22 VAL 42 HG22 VAL 42 9.834 12.389 0.041 276 HG23 VAL 42 HG23 VAL 42 8.784 13.805 0.103 277 H GLY 43 H GLY 43 10.096 14.196 -3.948 278 HA2 GLY 43 HA2 GLY 43 11.309 16.459 -2.717 279 HA3 GLY 43 HA3 GLY 43 11.809 15.707 -4.227 280 H HIS 44 H HIS 44 8.901 16.133 -5.187 281 HA HIS 44 HA HIS 44 9.475 18.581 -6.543 282 HB2 HIS 44 HB2 HIS 44 8.286 16.702 -7.613 283 HB3 HIS 44 HB3 HIS 44 6.931 16.942 -6.510 284 HD1 HIS 44 HD1 HIS 44 5.301 18.817 -7.040 285 HD2 HIS 44 HD2 HIS 44 8.686 18.914 -9.472 286 HE1 HIS 44 HE1 HIS 44 4.860 20.572 -8.810 287 HE2 HIS 44 HE2 HIS 44 6.910 20.640 -10.306 288 H ILE 45 H ILE 45 7.268 17.673 -3.922 289 HA ILE 45 HA ILE 45 5.948 20.246 -3.935 290 HB ILE 45 HB ILE 45 4.862 18.101 -3.175 291 HG12 ILE 45 HG12 ILE 45 4.906 20.339 -1.130 292 HG13 ILE 45 HG13 ILE 45 3.997 20.391 -2.641 293 HG21 ILE 45 HG21 ILE 45 6.419 18.594 -0.626 294 HG22 ILE 45 HG22 ILE 45 6.874 17.377 -1.818 295 HG23 ILE 45 HG23 ILE 45 5.329 17.254 -0.980 296 HD11 ILE 45 HD11 ILE 45 2.781 18.339 -1.954 297 HD12 ILE 45 HD12 ILE 45 2.545 19.653 -0.802 298 HD13 ILE 45 HD13 ILE 45 3.664 18.342 -0.428 299 H SER 46 H SER 46 8.890 19.068 -2.737 300 HA SER 46 HA SER 46 9.201 20.520 -0.352 301 HB2 SER 46 HB2 SER 46 10.795 18.803 -1.014 302 HB3 SER 46 HB3 SER 46 11.261 19.741 -2.431 303 HG SER 46 HG SER 46 11.559 20.500 0.287 304 H HIS 47 H HIS 47 10.327 21.392 -3.634 305 HA HIS 47 HA HIS 47 11.174 23.989 -3.009 306 HB2 HIS 47 HB2 HIS 47 11.753 22.864 -5.116 307 HB3 HIS 47 HB3 HIS 47 10.068 22.947 -5.629 308 HD1 HIS 47 HD1 HIS 47 10.265 24.617 -7.527 309 HD2 HIS 47 HD2 HIS 47 12.013 26.001 -4.004 310 HE1 HIS 47 HE1 HIS 47 10.874 27.040 -7.934 311 HE2 HIS 47 HE2 HIS 47 11.943 27.899 -5.798 312 H GLN 48 H GLN 48 8.011 22.691 -3.315 313 HA GLN 48 HA GLN 48 6.669 25.128 -3.999 314 HB2 GLN 48 HB2 GLN 48 5.845 22.654 -4.204 315 HB3 GLN 48 HB3 GLN 48 5.354 22.846 -2.524 316 HG2 GLN 48 HG2 GLN 48 3.444 23.452 -3.797 317 HG3 GLN 48 HG3 GLN 48 4.149 24.985 -3.291 318 HE21 GLN 48 HE21 GLN 48 5.159 22.773 -5.952 319 HE22 GLN 48 HE22 GLN 48 4.997 23.939 -7.174 320 H LEU 49 H LEU 49 8.443 24.439 -1.391 321 HA LEU 49 HA LEU 49 7.145 26.461 0.229 322 HB2 LEU 49 HB2 LEU 49 6.322 23.905 0.683 323 HB3 LEU 49 HB3 LEU 49 7.706 23.949 1.761 324 HG LEU 49 HG LEU 49 5.427 25.951 1.767 325 HD11 LEU 49 HD11 LEU 49 6.059 23.547 3.494 326 HD12 LEU 49 HD12 LEU 49 4.592 23.849 2.561 327 HD13 LEU 49 HD13 LEU 49 4.940 24.817 3.993 328 HD21 LEU 49 HD21 LEU 49 6.513 26.459 4.064 329 HD22 LEU 49 HD22 LEU 49 7.326 27.069 2.626 330 HD23 LEU 49 HD23 LEU 49 7.927 25.618 3.430 331 H ASN 50 H ASN 50 9.790 24.945 -1.008 332 HA ASN 50 HA ASN 50 12.056 25.073 -0.634 333 HB2 ASN 50 HB2 ASN 50 11.472 27.473 -0.958 334 HB3 ASN 50 HB3 ASN 50 11.275 27.629 0.787 335 HD21 ASN 50 HD21 ASN 50 13.098 28.763 1.500 336 HD22 ASN 50 HD22 ASN 50 14.697 28.372 1.084 337 H LEU 51 H LEU 51 12.016 23.224 0.800 338 HA LEU 51 HA LEU 51 13.219 23.817 3.323 339 HB2 LEU 51 HB2 LEU 51 10.519 23.924 3.459 340 HB3 LEU 51 HB3 LEU 51 10.721 22.198 3.694 341 HG LEU 51 HG LEU 51 12.531 22.933 5.473 342 HD11 LEU 51 HD11 LEU 51 11.896 25.067 6.588 343 HD12 LEU 51 HD12 LEU 51 10.788 25.404 5.260 344 HD13 LEU 51 HD13 LEU 51 12.524 25.323 4.961 345 HD21 LEU 51 HD21 LEU 51 10.804 22.976 7.214 346 HD22 LEU 51 HD22 LEU 51 10.399 21.773 5.991 347 HD23 LEU 51 HD23 LEU 51 9.571 23.329 6.003 348 H SER 52 H SER 52 12.907 21.401 4.617 349 HA SER 52 HA SER 52 14.467 19.647 2.894 350 HB2 SER 52 HB2 SER 52 14.970 20.128 5.352 351 HB3 SER 52 HB3 SER 52 13.582 19.109 5.730 352 HG SER 52 HG SER 52 14.745 17.429 5.297 353 H GLN 53 H GLN 53 13.918 17.465 2.450 354 HA GLN 53 HA GLN 53 11.122 17.063 1.921 355 HB2 GLN 53 HB2 GLN 53 13.410 15.101 1.641 356 HB3 GLN 53 HB3 GLN 53 11.828 14.996 0.869 357 HG2 GLN 53 HG2 GLN 53 12.270 17.049 -0.385 358 HG3 GLN 53 HG3 GLN 53 13.813 17.250 0.443 359 HE21 GLN 53 HE21 GLN 53 15.574 15.785 -0.143 360 HE22 GLN 53 HE22 GLN 53 15.496 14.836 -1.548 361 H SER 54 H SER 54 13.259 16.264 4.502 362 HA SER 54 HA SER 54 11.832 13.960 5.449 363 HB2 SER 54 HB2 SER 54 13.191 14.370 7.540 364 HB3 SER 54 HB3 SER 54 14.140 14.173 6.066 365 HG SER 54 HG SER 54 14.956 16.017 6.658 366 H ASN 55 H ASN 55 11.593 17.404 5.901 367 HA ASN 55 HA ASN 55 10.040 17.362 8.289 368 HB2 ASN 55 HB2 ASN 55 10.436 19.432 6.127 369 HB3 ASN 55 HB3 ASN 55 9.436 19.719 7.550 370 HD21 ASN 55 HD21 ASN 55 11.907 21.166 6.959 371 HD22 ASN 55 HD22 ASN 55 13.002 20.806 8.205 372 H VAL 56 H VAL 56 9.195 17.587 4.841 373 HA VAL 56 HA VAL 56 6.370 17.719 5.364 374 HB VAL 56 HB VAL 56 6.131 17.522 2.933 375 HG11 VAL 56 HG11 VAL 56 7.479 19.503 2.307 376 HG12 VAL 56 HG12 VAL 56 8.439 19.306 3.773 377 HG13 VAL 56 HG13 VAL 56 6.727 19.712 3.889 378 HG21 VAL 56 HG21 VAL 56 7.794 15.874 2.398 379 HG22 VAL 56 HG22 VAL 56 9.084 16.865 3.080 380 HG23 VAL 56 HG23 VAL 56 8.285 17.362 1.588 381 H SER 57 H SER 57 8.653 15.191 4.393 382 HA SER 57 HA SER 57 6.838 13.138 3.826 383 HB2 SER 57 HB2 SER 57 9.615 13.049 5.021 384 HB3 SER 57 HB3 SER 57 8.720 11.610 4.536 385 HG SER 57 HG SER 57 9.376 12.011 2.600 386 H HIS 58 H HIS 58 7.963 14.448 6.862 387 HA HIS 58 HA HIS 58 6.980 12.353 8.543 388 HB2 HIS 58 HB2 HIS 58 7.636 15.254 9.103 389 HB3 HIS 58 HB3 HIS 58 7.189 14.088 10.347 390 HD1 HIS 58 HD1 HIS 58 8.848 11.844 8.453 391 HD2 HIS 58 HD2 HIS 58 10.276 15.234 10.417 392 HE1 HIS 58 HE1 HIS 58 11.330 11.482 8.791 393 HE2 HIS 58 HE2 HIS 58 12.215 13.534 9.997 394 H GLN 59 H GLN 59 5.635 15.329 7.225 395 HA GLN 59 HA GLN 59 3.297 15.419 8.812 396 HB2 GLN 59 HB2 GLN 59 3.765 16.462 6.008 397 HB3 GLN 59 HB3 GLN 59 2.413 16.904 7.050 398 HG2 GLN 59 HG2 GLN 59 5.315 17.274 7.833 399 HG3 GLN 59 HG3 GLN 59 4.343 18.540 7.084 400 HE21 GLN 59 HE21 GLN 59 1.852 18.020 8.429 401 HE22 GLN 59 HE22 GLN 59 2.059 18.376 10.075 402 H LEU 60 H LEU 60 3.817 14.122 5.510 403 HA LEU 60 HA LEU 60 1.285 13.286 4.906 404 HB2 LEU 60 HB2 LEU 60 3.730 11.592 4.377 405 HB3 LEU 60 HB3 LEU 60 2.258 11.693 3.413 406 HG LEU 60 HG LEU 60 4.327 13.873 3.800 407 HD11 LEU 60 HD11 LEU 60 4.939 12.106 2.198 408 HD12 LEU 60 HD12 LEU 60 4.602 13.620 1.359 409 HD13 LEU 60 HD13 LEU 60 3.403 12.327 1.361 410 HD21 LEU 60 HD21 LEU 60 2.269 15.040 3.716 411 HD22 LEU 60 HD22 LEU 60 1.572 13.904 2.562 412 HD23 LEU 60 HD23 LEU 60 2.820 15.037 2.043 413 H LYS 61 H LYS 61 3.524 11.822 7.192 414 HA LYS 61 HA LYS 61 2.109 9.358 7.465 415 HB2 LYS 61 HB2 LYS 61 4.086 10.796 9.240 416 HB3 LYS 61 HB3 LYS 61 3.411 9.225 9.648 417 HG2 LYS 61 HG2 LYS 61 4.695 9.651 6.947 418 HG3 LYS 61 HG3 LYS 61 5.705 9.365 8.357 419 HD2 LYS 61 HD2 LYS 61 4.385 7.276 8.810 420 HD3 LYS 61 HD3 LYS 61 3.543 7.532 7.283 421 HE2 LYS 61 HE2 LYS 61 5.790 7.568 6.142 422 HE3 LYS 61 HE3 LYS 61 6.510 7.084 7.677 423 HZ1 LYS 61 HZ1 LYS 61 4.315 5.573 6.382 424 HZ2 LYS 61 HZ2 LYS 61 5.308 5.073 7.665 425 HZ3 LYS 61 HZ3 LYS 61 5.955 5.231 6.103 426 H LEU 62 H LEU 62 2.049 12.436 9.228 427 HA LEU 62 HA LEU 62 0.271 11.645 11.266 428 HB2 LEU 62 HB2 LEU 62 0.369 14.419 10.088 429 HB3 LEU 62 HB3 LEU 62 0.017 13.950 11.751 430 HG LEU 62 HG LEU 62 2.681 13.733 10.322 431 HD11 LEU 62 HD11 LEU 62 1.665 15.380 12.653 432 HD12 LEU 62 HD12 LEU 62 2.234 15.978 11.096 433 HD13 LEU 62 HD13 LEU 62 3.370 15.243 12.226 434 HD21 LEU 62 HD21 LEU 62 3.435 12.983 12.668 435 HD22 LEU 62 HD22 LEU 62 2.569 11.797 11.694 436 HD23 LEU 62 HD23 LEU 62 1.730 12.661 12.982 437 H LEU 63 H LEU 63 -0.427 13.437 8.247 438 HA LEU 63 HA LEU 63 -3.205 13.490 8.509 439 HB2 LEU 63 HB2 LEU 63 -1.366 13.512 6.120 440 HB3 LEU 63 HB3 LEU 63 -3.115 13.542 5.904 441 HG LEU 63 HG LEU 63 -3.235 15.549 7.367 442 HD11 LEU 63 HD11 LEU 63 -0.239 15.161 7.379 443 HD12 LEU 63 HD12 LEU 63 -1.320 15.357 8.758 444 HD13 LEU 63 HD13 LEU 63 -0.973 16.730 7.709 445 HD21 LEU 63 HD21 LEU 63 -2.155 17.105 5.730 446 HD22 LEU 63 HD22 LEU 63 -3.126 15.855 4.952 447 HD23 LEU 63 HD23 LEU 63 -1.368 15.715 4.983 448 H LYS 64 H LYS 64 -1.074 10.930 7.414 449 HA LYS 64 HA LYS 64 -3.053 9.263 6.245 450 HB2 LYS 64 HB2 LYS 64 -0.583 9.016 5.909 451 HB3 LYS 64 HB3 LYS 64 -0.464 8.411 7.562 452 HG2 LYS 64 HG2 LYS 64 -1.918 6.542 7.044 453 HG3 LYS 64 HG3 LYS 64 -2.243 7.186 5.434 454 HD2 LYS 64 HD2 LYS 64 0.027 6.821 4.740 455 HD3 LYS 64 HD3 LYS 64 0.538 6.463 6.390 456 HE2 LYS 64 HE2 LYS 64 -1.502 4.816 4.869 457 HE3 LYS 64 HE3 LYS 64 0.214 4.418 4.947 458 HZ1 LYS 64 HZ1 LYS 64 -0.695 4.941 7.542 459 HZ2 LYS 64 HZ2 LYS 64 -0.123 3.475 6.903 460 HZ3 LYS 64 HZ3 LYS 64 -1.778 3.848 6.823 461 H SER 65 H SER 65 -1.981 9.784 9.536 462 HA SER 65 HA SER 65 -3.116 7.440 10.674 463 HB2 SER 65 HB2 SER 65 -2.739 8.485 12.795 464 HB3 SER 65 HB3 SER 65 -1.395 8.950 11.754 465 HG SER 65 HG SER 65 -1.966 10.919 12.141 466 H VAL 66 H VAL 66 -4.352 10.706 10.108 467 HA VAL 66 HA VAL 66 -6.871 10.165 11.423 468 HB VAL 66 HB VAL 66 -6.350 12.472 9.549 469 HG11 VAL 66 HG11 VAL 66 -7.859 12.257 12.172 470 HG12 VAL 66 HG12 VAL 66 -8.610 12.156 10.580 471 HG13 VAL 66 HG13 VAL 66 -7.827 13.651 11.092 472 HG21 VAL 66 HG21 VAL 66 -4.368 12.377 10.929 473 HG22 VAL 66 HG22 VAL 66 -5.334 12.096 12.378 474 HG23 VAL 66 HG23 VAL 66 -5.405 13.657 11.560 475 H HIS 67 H HIS 67 -6.172 8.325 9.332 476 HA HIS 67 HA HIS 67 -7.013 7.347 7.424 477 HB2 HIS 67 HB2 HIS 67 -8.908 7.099 9.005 478 HB3 HIS 67 HB3 HIS 67 -9.563 8.634 8.431 479 HD1 HIS 67 HD1 HIS 67 -10.721 8.658 6.145 480 HD2 HIS 67 HD2 HIS 67 -9.009 4.967 7.057 481 HE1 HIS 67 HE1 HIS 67 -11.570 7.026 4.407 482 HE2 HIS 67 HE2 HIS 67 -10.536 4.772 4.946 483 H LEU 68 H LEU 68 -6.382 10.445 7.461 484 HA LEU 68 HA LEU 68 -7.806 11.200 4.986 485 HB2 LEU 68 HB2 LEU 68 -7.688 12.698 7.089 486 HB3 LEU 68 HB3 LEU 68 -6.003 12.946 6.657 487 HG LEU 68 HG LEU 68 -6.990 13.532 4.272 488 HD11 LEU 68 HD11 LEU 68 -9.203 14.691 4.501 489 HD12 LEU 68 HD12 LEU 68 -9.367 13.983 6.105 490 HD13 LEU 68 HD13 LEU 68 -9.313 12.944 4.681 491 HD21 LEU 68 HD21 LEU 68 -7.192 15.354 6.683 492 HD22 LEU 68 HD22 LEU 68 -7.290 15.911 5.012 493 HD23 LEU 68 HD23 LEU 68 -5.807 15.166 5.608 494 H VAL 69 H VAL 69 -6.702 11.668 3.114 495 HA VAL 69 HA VAL 69 -5.047 11.535 1.549 496 HB VAL 69 HB VAL 69 -3.206 12.071 3.893 497 HG11 VAL 69 HG11 VAL 69 -1.771 12.996 1.988 498 HG12 VAL 69 HG12 VAL 69 -2.850 12.132 0.892 499 HG13 VAL 69 HG13 VAL 69 -1.900 11.240 2.080 500 HG21 VAL 69 HG21 VAL 69 -3.301 14.421 2.865 501 HG22 VAL 69 HG22 VAL 69 -4.736 13.895 3.744 502 HG23 VAL 69 HG23 VAL 69 -4.719 13.860 1.980 503 H LYS 70 H LYS 70 -3.402 10.137 0.719 504 HA LYS 70 HA LYS 70 -2.415 7.926 2.263 505 HB2 LYS 70 HB2 LYS 70 -3.607 6.151 1.090 506 HB3 LYS 70 HB3 LYS 70 -4.766 7.211 1.892 507 HG2 LYS 70 HG2 LYS 70 -4.944 8.477 -0.311 508 HG3 LYS 70 HG3 LYS 70 -4.034 7.158 -1.045 509 HD2 LYS 70 HD2 LYS 70 -5.788 5.581 -0.063 510 HD3 LYS 70 HD3 LYS 70 -6.744 7.021 0.294 511 HE2 LYS 70 HE2 LYS 70 -5.704 6.288 -2.459 512 HE3 LYS 70 HE3 LYS 70 -7.348 5.985 -1.898 513 HZ1 LYS 70 HZ1 LYS 70 -6.255 8.695 -1.660 514 HZ2 LYS 70 HZ2 LYS 70 -7.859 8.194 -1.901 515 HZ3 LYS 70 HZ3 LYS 70 -6.756 8.158 -3.191 516 H ALA 71 H ALA 71 -1.013 6.540 1.002 517 HA ALA 71 HA ALA 71 0.044 7.883 -1.427 518 HB1 ALA 71 HB1 ALA 71 2.172 6.844 -0.858 519 HB2 ALA 71 HB2 ALA 71 1.427 6.004 0.502 520 HB3 ALA 71 HB3 ALA 71 1.571 7.761 0.523 521 H LYS 72 H LYS 72 0.650 6.653 -3.202 522 HA LYS 72 HA LYS 72 0.094 3.778 -3.242 523 HB2 LYS 72 HB2 LYS 72 -2.045 4.972 -3.878 524 HB3 LYS 72 HB3 LYS 72 -1.182 5.621 -5.274 525 HG2 LYS 72 HG2 LYS 72 -0.666 3.326 -6.023 526 HG3 LYS 72 HG3 LYS 72 -1.527 2.677 -4.627 527 HD2 LYS 72 HD2 LYS 72 -3.587 3.877 -5.424 528 HD3 LYS 72 HD3 LYS 72 -2.705 4.320 -6.885 529 HE2 LYS 72 HE2 LYS 72 -4.026 2.298 -7.299 530 HE3 LYS 72 HE3 LYS 72 -2.307 1.907 -7.345 531 HZ1 LYS 72 HZ1 LYS 72 -3.771 1.684 -4.808 532 HZ2 LYS 72 HZ2 LYS 72 -2.399 0.834 -5.338 533 HZ3 LYS 72 HZ3 LYS 72 -3.930 0.453 -5.967 534 H ARG 73 H ARG 73 1.953 3.004 -3.972 535 HA ARG 73 HA ARG 73 3.914 4.473 -5.240 536 HB2 ARG 73 HB2 ARG 73 4.395 2.412 -4.085 537 HB3 ARG 73 HB3 ARG 73 3.457 1.484 -5.242 538 HG2 ARG 73 HG2 ARG 73 5.648 3.156 -6.417 539 HG3 ARG 73 HG3 ARG 73 6.182 1.824 -5.408 540 HD2 ARG 73 HD2 ARG 73 4.757 0.280 -6.771 541 HD3 ARG 73 HD3 ARG 73 4.406 1.626 -7.852 542 HE ARG 73 HE ARG 73 6.530 1.393 -8.745 543 HH11 ARG 73 HH21 ARG 73 6.292 -0.214 -5.689 544 HH12 ARG 73 HH22 ARG 73 7.841 -0.978 -5.815 545 HH21 ARG 73 HH11 ARG 73 8.561 0.396 -8.916 546 HH22 ARG 73 HH12 ARG 73 9.130 -0.627 -7.640 547 H GLN 74 H GLN 74 4.662 4.693 -7.265 548 HA GLN 74 HA GLN 74 3.314 3.482 -9.548 549 HB2 GLN 74 HB2 GLN 74 2.046 5.628 -8.825 550 HB3 GLN 74 HB3 GLN 74 3.442 6.497 -9.455 551 HG2 GLN 74 HG2 GLN 74 1.792 4.493 -11.024 552 HG3 GLN 74 HG3 GLN 74 1.637 6.243 -11.150 553 HE21 GLN 74 HE21 GLN 74 2.707 3.991 -13.060 554 HE22 GLN 74 HE22 GLN 74 4.168 4.644 -13.622 555 H GLY 75 H GLY 75 5.183 2.620 -10.308 556 HA2 GLY 75 HA2 GLY 75 7.104 2.650 -11.616 557 HA3 GLY 75 HA3 GLY 75 7.090 4.409 -11.541 558 H GLN 76 H GLN 76 8.717 5.285 -10.449 559 HA GLN 76 HA GLN 76 10.107 3.713 -8.343 560 HB2 GLN 76 HB2 GLN 76 11.187 6.038 -9.943 561 HB3 GLN 76 HB3 GLN 76 12.086 4.954 -8.882 562 HG2 GLN 76 HG2 GLN 76 11.559 3.059 -10.373 563 HG3 GLN 76 HG3 GLN 76 10.659 4.143 -11.433 564 HE21 GLN 76 HE21 GLN 76 13.331 2.546 -11.741 565 HE22 GLN 76 HE22 GLN 76 14.401 3.709 -12.360 566 H SER 77 H SER 77 8.540 6.722 -9.174 567 HA SER 77 HA SER 77 9.278 8.018 -6.663 568 HB2 SER 77 HB2 SER 77 7.465 8.925 -8.912 569 HB3 SER 77 HB3 SER 77 7.989 9.912 -7.548 570 HG SER 77 HG SER 77 9.943 8.604 -9.042 571 H MET 78 H MET 78 7.821 8.622 -5.065 572 HA MET 78 HA MET 78 5.402 6.945 -4.851 573 HB2 MET 78 HB2 MET 78 6.912 8.590 -2.805 574 HB3 MET 78 HB3 MET 78 5.453 7.658 -2.469 575 HG2 MET 78 HG2 MET 78 6.575 5.591 -3.114 576 HG3 MET 78 HG3 MET 78 8.014 6.489 -3.597 577 HE1 MET 78 HE1 MET 78 9.636 5.001 -1.881 578 HE2 MET 78 HE2 MET 78 8.109 4.122 -1.937 579 HE3 MET 78 HE3 MET 78 8.896 4.422 -0.387 580 H ILE 79 H ILE 79 3.761 7.956 -5.902 581 HA ILE 79 HA ILE 79 3.421 10.843 -5.746 582 HB ILE 79 HB ILE 79 1.875 8.645 -7.134 583 HG12 ILE 79 HG12 ILE 79 2.768 9.759 -9.161 584 HG13 ILE 79 HG13 ILE 79 3.642 10.896 -8.140 585 HG21 ILE 79 HG21 ILE 79 1.392 11.631 -7.008 586 HG22 ILE 79 HG22 ILE 79 0.254 10.339 -6.630 587 HG23 ILE 79 HG23 ILE 79 0.751 10.615 -8.298 588 HD11 ILE 79 HD11 ILE 79 4.076 7.950 -7.716 589 HD12 ILE 79 HD12 ILE 79 5.181 9.300 -7.445 590 HD13 ILE 79 HD13 ILE 79 4.850 8.745 -9.083 591 H TYR 80 H TYR 80 1.988 11.908 -4.523 592 HA TYR 80 HA TYR 80 0.124 10.365 -2.790 593 HB2 TYR 80 HB2 TYR 80 1.323 13.061 -2.146 594 HB3 TYR 80 HB3 TYR 80 0.457 11.967 -1.068 595 HD1 TYR 80 HD2 TYR 80 3.628 12.556 -2.874 596 HD2 TYR 80 HD1 TYR 80 1.535 10.021 -0.108 597 HE1 TYR 80 HE2 TYR 80 5.767 11.465 -2.253 598 HE2 TYR 80 HE1 TYR 80 3.674 8.929 0.510 599 HH TYR 80 HH TYR 80 5.858 8.848 0.173 600 H SER 81 H SER 81 -1.911 11.325 -2.383 601 HA SER 81 HA SER 81 -2.678 13.765 -3.739 602 HB2 SER 81 HB2 SER 81 -4.374 12.729 -5.172 603 HB3 SER 81 HB3 SER 81 -2.771 12.121 -5.584 604 HG SER 81 HG SER 81 -3.720 10.260 -5.306 605 H LEU 82 H LEU 82 -5.338 13.657 -3.703 606 HA LEU 82 HA LEU 82 -5.968 13.757 -0.921 607 HB2 LEU 82 HB2 LEU 82 -7.567 14.051 -3.457 608 HB3 LEU 82 HB3 LEU 82 -8.361 14.069 -1.889 609 HG LEU 82 HG LEU 82 -7.748 16.339 -2.827 610 HD11 LEU 82 HD11 LEU 82 -7.314 17.257 -0.744 611 HD12 LEU 82 HD12 LEU 82 -6.221 15.967 -0.261 612 HD13 LEU 82 HD13 LEU 82 -7.960 15.688 -0.284 613 HD21 LEU 82 HD21 LEU 82 -5.474 17.042 -2.894 614 HD22 LEU 82 HD22 LEU 82 -5.532 15.493 -3.739 615 HD23 LEU 82 HD23 LEU 82 -4.921 15.576 -2.085 616 H ASP 83 H ASP 83 -7.615 12.537 0.169 617 HA ASP 83 HA ASP 83 -7.364 9.731 -0.186 618 HB2 ASP 83 HB2 ASP 83 -7.857 10.844 1.992 619 HB3 ASP 83 HB3 ASP 83 -9.468 11.233 1.391 620 H ASP 84 H ASP 84 -9.854 12.079 -1.081 621 HA ASP 84 HA ASP 84 -10.823 10.375 -3.172 622 HB2 ASP 84 HB2 ASP 84 -11.896 9.449 -1.042 623 HB3 ASP 84 HB3 ASP 84 -12.798 10.961 -0.966 624 H ILE 85 H ILE 85 -13.116 11.396 -3.873 625 HA ILE 85 HA ILE 85 -12.502 14.169 -4.505 626 HB ILE 85 HB ILE 85 -14.661 13.964 -5.839 627 HG12 ILE 85 HG12 ILE 85 -14.350 11.027 -5.174 628 HG13 ILE 85 HG13 ILE 85 -15.512 12.073 -4.358 629 HG21 ILE 85 HG21 ILE 85 -13.594 12.371 -7.492 630 HG22 ILE 85 HG22 ILE 85 -12.348 12.058 -6.284 631 HG23 ILE 85 HG23 ILE 85 -12.542 13.679 -6.953 632 HD11 ILE 85 HD11 ILE 85 -15.380 11.554 -7.345 633 HD12 ILE 85 HD12 ILE 85 -16.520 12.640 -6.551 634 HD13 ILE 85 HD13 ILE 85 -16.589 10.907 -6.236 635 H HIS 86 H HIS 86 -13.649 12.905 -1.813 636 HA HIS 86 HA HIS 86 -16.065 14.470 -1.442 637 HB2 HIS 86 HB2 HIS 86 -14.431 12.849 0.527 638 HB3 HIS 86 HB3 HIS 86 -16.025 13.538 0.834 639 HD1 HIS 86 HD1 HIS 86 -15.625 10.479 0.947 640 HD2 HIS 86 HD2 HIS 86 -16.849 12.518 -2.477 641 HE1 HIS 86 HE1 HIS 86 -16.824 8.787 -0.503 642 HE2 HIS 86 HE2 HIS 86 -17.583 10.015 -2.591 643 H VAL 87 H VAL 87 -13.387 14.288 0.855 644 HA VAL 87 HA VAL 87 -13.680 16.749 1.995 645 HB VAL 87 HB VAL 87 -11.342 16.604 2.686 646 HG11 VAL 87 HG11 VAL 87 -12.585 13.844 2.486 647 HG12 VAL 87 HG12 VAL 87 -13.033 15.058 3.685 648 HG13 VAL 87 HG13 VAL 87 -11.406 14.378 3.684 649 HG21 VAL 87 HG21 VAL 87 -11.198 14.606 0.419 650 HG22 VAL 87 HG22 VAL 87 -9.995 14.658 1.707 651 HG23 VAL 87 HG23 VAL 87 -10.218 16.054 0.652 652 H ALA 88 H ALA 88 -12.548 16.082 -1.182 653 HA ALA 88 HA ALA 88 -10.943 18.339 -1.676 654 HB1 ALA 88 HB1 ALA 88 -11.374 17.921 -4.027 655 HB2 ALA 88 HB2 ALA 88 -12.782 16.937 -3.629 656 HB3 ALA 88 HB3 ALA 88 -11.166 16.377 -3.201 657 H THR 89 H THR 89 -14.420 17.842 -2.312 658 HA THR 89 HA THR 89 -14.976 20.430 -3.234 659 HB THR 89 HB THR 89 -17.286 19.901 -2.881 660 HG1 THR 89 HG1 THR 89 -17.739 17.976 -1.577 661 HG21 THR 89 HG21 THR 89 -15.972 18.523 -4.554 662 HG22 THR 89 HG22 THR 89 -17.446 17.756 -3.962 663 HG23 THR 89 HG23 THR 89 -15.876 17.257 -3.330 664 H MET 90 H MET 90 -15.174 19.068 0.048 665 HA MET 90 HA MET 90 -16.250 21.172 1.445 666 HB2 MET 90 HB2 MET 90 -15.606 19.012 2.459 667 HB3 MET 90 HB3 MET 90 -13.908 19.463 2.323 668 HG2 MET 90 HG2 MET 90 -14.153 21.251 3.879 669 HG3 MET 90 HG3 MET 90 -15.913 21.185 3.791 670 HE1 MET 90 HE1 MET 90 -13.335 18.070 4.122 671 HE2 MET 90 HE2 MET 90 -13.039 18.284 5.847 672 HE3 MET 90 HE3 MET 90 -12.679 19.595 4.724 673 H LEU 91 H LEU 91 -12.915 20.809 0.316 674 HA LEU 91 HA LEU 91 -11.829 23.058 1.614 675 HB2 LEU 91 HB2 LEU 91 -10.575 21.199 0.396 676 HB3 LEU 91 HB3 LEU 91 -10.998 22.024 -1.099 677 HG LEU 91 HG LEU 91 -9.956 24.138 0.060 678 HD11 LEU 91 HD11 LEU 91 -8.752 21.869 1.676 679 HD12 LEU 91 HD12 LEU 91 -9.620 23.275 2.293 680 HD13 LEU 91 HD13 LEU 91 -8.036 23.473 1.555 681 HD21 LEU 91 HD21 LEU 91 -7.659 23.406 -0.698 682 HD22 LEU 91 HD22 LEU 91 -8.935 23.176 -1.894 683 HD23 LEU 91 HD23 LEU 91 -8.334 21.799 -0.971 684 H LYS 92 H LYS 92 -13.174 22.707 -1.668 685 HA LYS 92 HA LYS 92 -12.819 25.384 -2.459 686 HB2 LYS 92 HB2 LYS 92 -14.785 23.264 -3.333 687 HB3 LYS 92 HB3 LYS 92 -14.686 24.851 -4.095 688 HG2 LYS 92 HG2 LYS 92 -12.452 24.476 -4.825 689 HG3 LYS 92 HG3 LYS 92 -12.257 23.082 -3.765 690 HD2 LYS 92 HD2 LYS 92 -12.609 22.368 -6.099 691 HD3 LYS 92 HD3 LYS 92 -13.942 21.845 -5.071 692 HE2 LYS 92 HE2 LYS 92 -14.090 24.459 -6.574 693 HE3 LYS 92 HE3 LYS 92 -14.516 22.938 -7.355 694 HZ1 LYS 92 HZ1 LYS 92 -16.042 24.474 -5.561 695 HZ2 LYS 92 HZ2 LYS 92 -15.740 22.956 -4.861 696 HZ3 LYS 92 HZ3 LYS 92 -16.481 23.056 -6.386 697 H GLN 93 H GLN 93 -15.853 23.801 -1.426 698 HA GLN 93 HA GLN 93 -17.537 25.925 -1.332 699 HB2 GLN 93 HB2 GLN 93 -17.333 23.769 0.784 700 HB3 GLN 93 HB3 GLN 93 -18.743 24.785 0.481 701 HG2 GLN 93 HG2 GLN 93 -17.488 23.013 -1.629 702 HG3 GLN 93 HG3 GLN 93 -18.830 22.498 -0.607 703 HE21 GLN 93 HE21 GLN 93 -19.157 22.693 -3.435 704 HE22 GLN 93 HE22 GLN 93 -20.216 23.977 -3.769 705 H ALA 94 H ALA 94 -14.721 25.542 0.582 706 HA ALA 94 HA ALA 94 -15.553 27.244 2.755 707 HB1 ALA 94 HB1 ALA 94 -13.357 26.985 3.596 708 HB2 ALA 94 HB2 ALA 94 -12.704 26.606 2.003 709 HB3 ALA 94 HB3 ALA 94 -13.736 25.442 2.833 710 H ILE 95 H ILE 95 -13.383 27.642 -0.052 711 HA ILE 95 HA ILE 95 -12.817 30.382 0.432 712 HB ILE 95 HB ILE 95 -12.649 28.632 -2.024 713 HG12 ILE 95 HG12 ILE 95 -10.238 28.927 -1.673 714 HG13 ILE 95 HG13 ILE 95 -10.551 30.009 -0.320 715 HG21 ILE 95 HG21 ILE 95 -11.319 30.575 -3.011 716 HG22 ILE 95 HG22 ILE 95 -12.036 31.585 -1.755 717 HG23 ILE 95 HG23 ILE 95 -13.067 30.799 -2.952 718 HD11 ILE 95 HD11 ILE 95 -11.377 28.274 1.037 719 HD12 ILE 95 HD12 ILE 95 -10.013 27.527 0.204 720 HD13 ILE 95 HD13 ILE 95 -11.658 27.204 -0.339 721 H HIS 96 H HIS 96 -15.631 28.789 -0.593 722 HA HIS 96 HA HIS 96 -16.677 30.846 -2.296 723 HB2 HIS 96 HB2 HIS 96 -18.023 28.538 -0.876 724 HB3 HIS 96 HB3 HIS 96 -18.822 29.593 -2.040 725 HD1 HIS 96 HD1 HIS 96 -18.821 26.863 -3.042 726 HD2 HIS 96 HD2 HIS 96 -15.429 29.247 -3.495 727 HE1 HIS 96 HE1 HIS 96 -17.486 25.854 -4.940 728 HE2 HIS 96 HE2 HIS 96 -15.412 27.291 -5.227 729 H HIS 97 H HIS 97 -17.837 29.724 0.900 730 HA HIS 97 HA HIS 97 -19.498 31.904 1.404 731 HB2 HIS 97 HB2 HIS 97 -19.370 29.727 2.707 732 HB3 HIS 97 HB3 HIS 97 -17.970 30.404 3.538 733 HD1 HIS 97 HD1 HIS 97 -21.683 30.683 3.284 734 HD2 HIS 97 HD2 HIS 97 -18.573 32.665 5.231 735 HE1 HIS 97 HE1 HIS 97 -22.764 32.210 4.987 736 HE2 HIS 97 HE2 HIS 97 -20.884 33.416 6.195 737 H ALA 98 H ALA 98 -16.071 31.679 1.481 738 HA ALA 98 HA ALA 98 -15.678 34.016 3.176 739 HB1 ALA 98 HB1 ALA 98 -13.793 32.280 1.573 740 HB2 ALA 98 HB2 ALA 98 -13.987 32.325 3.325 741 HB3 ALA 98 HB3 ALA 98 -13.269 33.697 2.482 742 H ASN 99 H ASN 99 -15.979 33.237 -0.196 743 HA ASN 99 HA ASN 99 -14.852 35.731 -1.145 744 HB2 ASN 99 HB2 ASN 99 -14.697 33.701 -2.512 745 HB3 ASN 99 HB3 ASN 99 -16.456 33.599 -2.576 746 HD21 ASN 99 HD21 ASN 99 -13.647 35.300 -3.847 747 HD22 ASN 99 HD22 ASN 99 -14.495 36.206 -5.005 748 H HIS 100 H HIS 100 -16.113 37.307 -0.072 749 HA HIS 100 HA HIS 100 -18.516 38.021 -1.491 750 HB2 HIS 100 HB2 HIS 100 -18.650 37.108 1.387 751 HB3 HIS 100 HB3 HIS 100 -19.857 38.187 0.690 752 HD1 HIS 100 HD1 HIS 100 -19.511 34.774 1.356 753 HD2 HIS 100 HD2 HIS 100 -20.672 36.867 -2.057 754 HE1 HIS 100 HE1 HIS 100 -20.838 33.151 -0.062 755 HE2 HIS 100 HE2 HIS 100 -21.544 34.407 -2.153 756 HA PRO 101 HA PRO 101 -15.626 41.379 0.136 757 HB2 PRO 101 HB2 PRO 101 -16.643 42.380 -2.521 758 HB3 PRO 101 HB3 PRO 101 -15.036 42.569 -1.792 759 HG2 PRO 101 HG2 PRO 101 -15.429 40.772 -3.695 760 HG3 PRO 101 HG3 PRO 101 -14.423 40.378 -2.292 761 HD2 PRO 101 HD2 PRO 101 -17.231 39.504 -2.908 762 HD3 PRO 101 HD3 PRO 101 -15.928 38.606 -2.100 763 H LYS 102 H LYS 102 -18.628 41.941 -1.729 764 HA LYS 102 HA LYS 102 -19.369 44.275 -0.296 765 HB2 LYS 102 HB2 LYS 102 -21.251 42.427 -1.771 766 HB3 LYS 102 HB3 LYS 102 -21.435 44.157 -1.488 767 HG2 LYS 102 HG2 LYS 102 -19.240 42.893 -3.158 768 HG3 LYS 102 HG3 LYS 102 -20.688 43.664 -3.803 769 HD2 LYS 102 HD2 LYS 102 -19.953 45.738 -2.430 770 HD3 LYS 102 HD3 LYS 102 -18.387 44.935 -2.315 771 HE2 LYS 102 HE2 LYS 102 -18.346 46.419 -4.234 772 HE3 LYS 102 HE3 LYS 102 -18.364 44.755 -4.819 773 HZ1 LYS 102 HZ1 LYS 102 -20.485 44.938 -5.569 774 HZ2 LYS 102 HZ2 LYS 102 -20.010 46.559 -5.751 775 HZ3 LYS 102 HZ3 LYS 102 -20.933 46.089 -4.403 776 H GLU 103 H GLU 103 -22.231 43.081 -0.094 777 HA GLU 103 HA GLU 103 -22.053 41.383 2.254 778 HB2 GLU 103 HB2 GLU 103 -21.684 43.727 3.110 779 HB3 GLU 103 HB3 GLU 103 -23.302 44.124 2.531 780 HG2 GLU 103 HG2 GLU 103 -24.208 42.261 3.931 781 HG3 GLU 103 HG3 GLU 103 -22.589 42.005 4.579 782 H ASN 9 H ASN 9 -2.854 36.142 -2.533 783 HA ASN 9 HA ASN 9 -4.834 37.937 -1.243 784 HB2 ASN 9 HB2 ASN 9 -5.164 35.440 -2.930 785 HB3 ASN 9 HB3 ASN 9 -6.463 36.199 -2.011 786 HD21 ASN 9 HD21 ASN 9 -7.757 37.209 -3.573 787 HD22 ASN 9 HD22 ASN 9 -7.169 38.247 -4.781 788 H THR 10 H THR 10 -2.361 36.213 -0.444 789 HA THR 10 HA THR 10 -3.097 33.934 0.938 790 HB THR 10 HB THR 10 -0.792 34.374 0.852 791 HG1 THR 10 HG1 THR 10 -1.418 33.628 2.906 792 HG21 THR 10 HG21 THR 10 -0.806 36.726 0.369 793 HG22 THR 10 HG22 THR 10 0.144 36.522 1.841 794 HG23 THR 10 HG23 THR 10 -1.517 37.105 1.937 795 H ASP 11 H ASP 11 -4.245 37.048 1.464 796 HA ASP 11 HA ASP 11 -4.477 37.198 4.258 797 HB2 ASP 11 HB2 ASP 11 -6.506 38.211 2.256 798 HB3 ASP 11 HB3 ASP 11 -6.197 38.832 3.876 799 H THR 12 H THR 12 -6.442 35.541 1.841 800 HA THR 12 HA THR 12 -8.534 34.824 3.666 801 HB THR 12 HB THR 12 -8.785 34.972 1.164 802 HG1 THR 12 HG1 THR 12 -9.688 32.545 1.346 803 HG21 THR 12 HG21 THR 12 -7.549 32.222 1.109 804 HG22 THR 12 HG22 THR 12 -6.579 33.664 0.808 805 HG23 THR 12 HG23 THR 12 -7.936 33.278 -0.249 806 H LEU 13 H LEU 13 -5.711 33.137 2.323 807 HA LEU 13 HA LEU 13 -6.054 30.600 3.275 808 HB2 LEU 13 HB2 LEU 13 -4.127 31.229 1.937 809 HB3 LEU 13 HB3 LEU 13 -3.517 32.253 3.232 810 HG LEU 13 HG LEU 13 -3.146 30.311 4.657 811 HD11 LEU 13 HD11 LEU 13 -3.464 28.002 3.486 812 HD12 LEU 13 HD12 LEU 13 -4.582 28.865 2.428 813 HD13 LEU 13 HD13 LEU 13 -4.881 28.793 4.165 814 HD21 LEU 13 HD21 LEU 13 -2.107 29.995 1.829 815 HD22 LEU 13 HD22 LEU 13 -1.466 29.118 3.218 816 HD23 LEU 13 HD23 LEU 13 -1.341 30.876 3.150 817 H GLU 14 H GLU 14 -5.433 33.486 5.094 818 HA GLU 14 HA GLU 14 -4.815 32.051 7.569 819 HB2 GLU 14 HB2 GLU 14 -5.096 34.989 6.908 820 HB3 GLU 14 HB3 GLU 14 -4.742 34.374 8.523 821 HG2 GLU 14 HG2 GLU 14 -2.702 33.308 7.711 822 HG3 GLU 14 HG3 GLU 14 -3.074 33.793 6.057 823 H ARG 15 H ARG 15 -7.376 34.143 6.259 824 HA ARG 15 HA ARG 15 -9.011 34.209 8.528 825 HB2 ARG 15 HB2 ARG 15 -9.213 35.582 6.381 826 HB3 ARG 15 HB3 ARG 15 -10.055 34.192 5.695 827 HG2 ARG 15 HG2 ARG 15 -11.591 34.299 7.741 828 HG3 ARG 15 HG3 ARG 15 -10.875 35.877 8.069 829 HD2 ARG 15 HD2 ARG 15 -12.437 35.027 5.620 830 HD3 ARG 15 HD3 ARG 15 -12.857 36.284 6.781 831 HE ARG 15 HE ARG 15 -10.360 36.916 5.630 832 HH11 ARG 15 HH21 ARG 15 -13.718 36.640 4.843 833 HH12 ARG 15 HH22 ARG 15 -13.665 37.835 3.590 834 HH21 ARG 15 HH11 ARG 15 -10.281 38.484 3.991 835 HH22 ARG 15 HH12 ARG 15 -11.719 38.882 3.110 836 H VAL 16 H VAL 16 -9.030 31.945 5.779 837 HA VAL 16 HA VAL 16 -11.263 30.447 6.412 838 HB VAL 16 HB VAL 16 -10.139 28.561 5.257 839 HG11 VAL 16 HG11 VAL 16 -9.685 31.279 3.989 840 HG12 VAL 16 HG12 VAL 16 -11.196 30.371 3.957 841 HG13 VAL 16 HG13 VAL 16 -9.774 29.745 3.122 842 HG21 VAL 16 HG21 VAL 16 -7.749 30.387 5.558 843 HG22 VAL 16 HG22 VAL 16 -7.811 29.114 4.339 844 HG23 VAL 16 HG23 VAL 16 -7.896 28.701 6.052 845 H THR 17 H THR 17 -8.002 30.227 7.762 846 HA THR 17 HA THR 17 -8.275 27.880 9.250 847 HB THR 17 HB THR 17 -6.773 30.346 10.150 848 HG1 THR 17 HG1 THR 17 -6.252 29.874 8.007 849 HG21 THR 17 HG21 THR 17 -6.162 27.398 10.488 850 HG22 THR 17 HG22 THR 17 -6.981 28.374 11.707 851 HG23 THR 17 HG23 THR 17 -5.322 28.751 11.244 852 H GLU 18 H GLU 18 -9.311 31.177 9.959 853 HA GLU 18 HA GLU 18 -10.010 30.789 12.665 854 HB2 GLU 18 HB2 GLU 18 -9.785 32.995 11.408 855 HB3 GLU 18 HB3 GLU 18 -11.396 32.683 10.763 856 HG2 GLU 18 HG2 GLU 18 -11.714 34.026 12.718 857 HG3 GLU 18 HG3 GLU 18 -12.164 32.384 13.175 858 H ILE 19 H ILE 19 -11.624 29.954 9.690 859 HA ILE 19 HA ILE 19 -14.259 29.701 10.715 860 HB ILE 19 HB ILE 19 -12.999 28.190 8.414 861 HG12 ILE 19 HG12 ILE 19 -14.524 30.813 8.411 862 HG13 ILE 19 HG13 ILE 19 -12.770 30.689 8.279 863 HG21 ILE 19 HG21 ILE 19 -15.136 27.245 9.127 864 HG22 ILE 19 HG22 ILE 19 -15.367 28.118 7.614 865 HG23 ILE 19 HG23 ILE 19 -15.870 28.848 9.137 866 HD11 ILE 19 HD11 ILE 19 -14.863 29.713 6.331 867 HD12 ILE 19 HD12 ILE 19 -13.199 29.131 6.276 868 HD13 ILE 19 HD13 ILE 19 -13.543 30.844 6.036 869 H PHE 20 H PHE 20 -11.523 27.470 10.526 870 HA PHE 20 HA PHE 20 -12.951 25.154 11.354 871 HB2 PHE 20 HB2 PHE 20 -10.021 25.891 11.407 872 HB3 PHE 20 HB3 PHE 20 -10.617 24.325 11.955 873 HD1 PHE 20 HD1 PHE 20 -10.329 26.595 9.036 874 HD2 PHE 20 HD2 PHE 20 -11.405 22.666 10.400 875 HE1 PHE 20 HE1 PHE 20 -10.413 25.802 6.688 876 HE2 PHE 20 HE2 PHE 20 -11.488 21.873 8.052 877 HZ PHE 20 HZ PHE 20 -10.992 23.441 6.196 878 H LYS 21 H LYS 21 -10.574 27.096 13.180 879 HA LYS 21 HA LYS 21 -10.969 26.002 15.679 880 HB2 LYS 21 HB2 LYS 21 -10.545 28.960 15.236 881 HB3 LYS 21 HB3 LYS 21 -9.999 27.979 16.594 882 HG2 LYS 21 HG2 LYS 21 -9.021 27.821 13.728 883 HG3 LYS 21 HG3 LYS 21 -8.111 28.382 15.128 884 HD2 LYS 21 HD2 LYS 21 -8.563 26.030 16.118 885 HD3 LYS 21 HD3 LYS 21 -9.009 25.573 14.474 886 HE2 LYS 21 HE2 LYS 21 -6.813 26.234 13.648 887 HE3 LYS 21 HE3 LYS 21 -6.359 26.829 15.244 888 HZ1 LYS 21 HZ1 LYS 21 -7.267 24.054 14.967 889 HZ2 LYS 21 HZ2 LYS 21 -6.182 24.728 16.087 890 HZ3 LYS 21 HZ3 LYS 21 -5.687 24.448 14.486 891 H ALA 22 H ALA 22 -13.203 27.787 13.837 892 HA ALA 22 HA ALA 22 -14.663 29.096 15.865 893 HB1 ALA 22 HB1 ALA 22 -15.902 27.990 13.350 894 HB2 ALA 22 HB2 ALA 22 -14.829 29.388 13.318 895 HB3 ALA 22 HB3 ALA 22 -16.333 29.452 14.237 896 H LEU 23 H LEU 23 -14.854 25.815 14.564 897 HA LEU 23 HA LEU 23 -17.248 25.138 15.996 898 HB2 LEU 23 HB2 LEU 23 -15.219 23.169 14.940 899 HB3 LEU 23 HB3 LEU 23 -16.957 22.952 15.135 900 HG LEU 23 HG LEU 23 -15.603 24.837 13.183 901 HD11 LEU 23 HD11 LEU 23 -15.577 22.330 12.705 902 HD12 LEU 23 HD12 LEU 23 -16.343 23.335 11.474 903 HD13 LEU 23 HD13 LEU 23 -17.337 22.423 12.610 904 HD21 LEU 23 HD21 LEU 23 -18.036 25.011 12.337 905 HD22 LEU 23 HD22 LEU 23 -17.637 25.886 13.813 906 HD23 LEU 23 HD23 LEU 23 -18.498 24.350 13.904 907 H GLY 24 H GLY 24 -14.099 23.514 16.315 908 HA2 GLY 24 HA2 GLY 24 -13.029 22.641 18.154 909 HA3 GLY 24 HA3 GLY 24 -13.488 24.151 18.932 910 H ASP 25 H ASP 25 -15.025 24.132 20.486 911 HA ASP 25 HA ASP 25 -15.582 22.029 22.047 912 HB2 ASP 25 HB2 ASP 25 -17.572 24.215 21.395 913 HB3 ASP 25 HB3 ASP 25 -17.593 23.197 22.835 914 H TYR 26 H TYR 26 -16.421 20.086 21.735 915 HA TYR 26 HA TYR 26 -17.871 19.339 19.436 916 HB2 TYR 26 HB2 TYR 26 -18.258 17.203 20.683 917 HB3 TYR 26 HB3 TYR 26 -16.567 17.702 20.637 918 HD1 TYR 26 HD2 TYR 26 -19.592 17.450 22.746 919 HD2 TYR 26 HD1 TYR 26 -15.416 18.452 22.634 920 HE1 TYR 26 HE2 TYR 26 -19.528 17.462 25.225 921 HE2 TYR 26 HE1 TYR 26 -15.353 18.465 25.113 922 HH TYR 26 HH TYR 26 -16.941 18.755 26.995 923 H ASN 27 H ASN 27 -18.882 20.847 22.333 924 HA ASN 27 HA ASN 27 -21.593 19.841 22.307 925 HB2 ASN 27 HB2 ASN 27 -20.247 22.106 23.791 926 HB3 ASN 27 HB3 ASN 27 -21.950 21.694 23.988 927 HD21 ASN 27 HD21 ASN 27 -18.761 20.917 25.029 928 HD22 ASN 27 HD22 ASN 27 -19.150 19.511 25.897 929 H ARG 28 H ARG 28 -19.845 22.581 21.020 930 HA ARG 28 HA ARG 28 -22.065 24.218 20.388 931 HB2 ARG 28 HB2 ARG 28 -19.656 24.946 20.471 932 HB3 ARG 28 HB3 ARG 28 -19.405 24.094 18.952 933 HG2 ARG 28 HG2 ARG 28 -19.810 26.414 18.438 934 HG3 ARG 28 HG3 ARG 28 -21.219 25.492 17.929 935 HD2 ARG 28 HD2 ARG 28 -21.251 26.639 20.701 936 HD3 ARG 28 HD3 ARG 28 -21.477 27.740 19.349 937 HE ARG 28 HE ARG 28 -23.387 25.857 20.309 938 HH11 ARG 28 HH21 ARG 28 -22.068 27.233 17.424 939 HH12 ARG 28 HH22 ARG 28 -23.565 27.194 16.554 940 HH21 ARG 28 HH11 ARG 28 -25.358 25.810 19.180 941 HH22 ARG 28 HH12 ARG 28 -25.429 26.390 17.550 942 H ILE 29 H ILE 29 -20.287 21.774 18.526 943 HA ILE 29 HA ILE 29 -21.768 22.213 16.120 944 HB ILE 29 HB ILE 29 -20.659 20.163 15.325 945 HG12 ILE 29 HG12 ILE 29 -19.760 19.977 18.212 946 HG13 ILE 29 HG13 ILE 29 -20.781 18.824 17.355 947 HG21 ILE 29 HG21 ILE 29 -18.709 21.807 16.952 948 HG22 ILE 29 HG22 ILE 29 -19.484 22.426 15.494 949 HG23 ILE 29 HG23 ILE 29 -18.426 21.018 15.401 950 HD11 ILE 29 HD11 ILE 29 -18.590 17.880 17.320 951 HD12 ILE 29 HD12 ILE 29 -17.854 19.422 16.884 952 HD13 ILE 29 HD13 ILE 29 -18.839 18.550 15.709 953 H ARG 30 H ARG 30 -22.296 20.256 18.970 954 HA ARG 30 HA ARG 30 -24.077 18.365 17.823 955 HB2 ARG 30 HB2 ARG 30 -22.953 18.205 20.088 956 HB3 ARG 30 HB3 ARG 30 -24.113 19.402 20.665 957 HG2 ARG 30 HG2 ARG 30 -25.964 17.894 19.910 958 HG3 ARG 30 HG3 ARG 30 -24.756 16.679 19.493 959 HD2 ARG 30 HD2 ARG 30 -25.333 17.823 22.238 960 HD3 ARG 30 HD3 ARG 30 -25.576 16.162 21.703 961 HE ARG 30 HE ARG 30 -22.847 16.925 21.395 962 HH11 ARG 30 HH21 ARG 30 -25.253 16.069 23.730 963 HH12 ARG 30 HH22 ARG 30 -24.119 15.414 24.863 964 HH21 ARG 30 HH11 ARG 30 -21.354 16.069 22.879 965 HH22 ARG 30 HH12 ARG 30 -21.913 15.418 24.382 966 H ILE 31 H ILE 31 -24.414 21.639 19.005 967 HA ILE 31 HA ILE 31 -27.287 21.650 19.051 968 HB ILE 31 HB ILE 31 -25.266 23.904 18.982 969 HG12 ILE 31 HG12 ILE 31 -26.977 22.942 21.284 970 HG13 ILE 31 HG13 ILE 31 -25.360 22.308 20.987 971 HG21 ILE 31 HG21 ILE 31 -28.275 23.876 19.303 972 HG22 ILE 31 HG22 ILE 31 -27.315 24.801 18.147 973 HG23 ILE 31 HG23 ILE 31 -27.277 25.221 19.859 974 HD11 ILE 31 HD11 ILE 31 -24.427 24.580 21.133 975 HD12 ILE 31 HD12 ILE 31 -25.312 24.183 22.607 976 HD13 ILE 31 HD13 ILE 31 -26.043 25.236 21.395 977 H MET 32 H MET 32 -24.805 22.205 16.668 978 HA MET 32 HA MET 32 -26.434 23.586 14.773 979 HB2 MET 32 HB2 MET 32 -23.943 23.639 14.770 980 HB3 MET 32 HB3 MET 32 -23.937 21.945 14.280 981 HG2 MET 32 HG2 MET 32 -25.128 22.486 12.227 982 HG3 MET 32 HG3 MET 32 -25.310 24.164 12.735 983 HE1 MET 32 HE1 MET 32 -24.541 23.730 10.173 984 HE2 MET 32 HE2 MET 32 -22.900 24.188 9.718 985 HE3 MET 32 HE3 MET 32 -23.935 25.342 10.559 986 H GLU 33 H GLU 33 -25.666 20.190 15.358 987 HA GLU 33 HA GLU 33 -26.715 19.120 12.980 988 HB2 GLU 33 HB2 GLU 33 -26.474 17.932 15.750 989 HB3 GLU 33 HB3 GLU 33 -26.947 17.009 14.325 990 HG2 GLU 33 HG2 GLU 33 -24.842 17.462 13.242 991 HG3 GLU 33 HG3 GLU 33 -24.388 18.620 14.492 992 H LEU 34 H LEU 34 -28.271 19.061 16.203 993 HA LEU 34 HA LEU 34 -30.761 18.221 15.272 994 HB2 LEU 34 HB2 LEU 34 -31.656 19.091 17.434 995 HB3 LEU 34 HB3 LEU 34 -30.280 18.013 17.575 996 HG LEU 34 HG LEU 34 -28.908 20.326 17.523 997 HD11 LEU 34 HD11 LEU 34 -31.636 21.107 18.595 998 HD12 LEU 34 HD12 LEU 34 -30.768 21.848 17.251 999 HD13 LEU 34 HD13 LEU 34 -30.162 22.021 18.891 1000 HD21 LEU 34 HD21 LEU 34 -30.370 19.258 19.951 1001 HD22 LEU 34 HD22 LEU 34 -28.984 20.347 20.002 1002 HD23 LEU 34 HD23 LEU 34 -28.801 18.718 19.353 1003 H LEU 35 H LEU 35 -29.316 21.353 15.157 1004 HA LEU 35 HA LEU 35 -31.812 22.782 14.791 1005 HB2 LEU 35 HB2 LEU 35 -29.721 23.790 15.798 1006 HB3 LEU 35 HB3 LEU 35 -28.998 23.714 14.195 1007 HG LEU 35 HG LEU 35 -31.125 25.030 13.428 1008 HD11 LEU 35 HD11 LEU 35 -32.464 24.914 15.435 1009 HD12 LEU 35 HD12 LEU 35 -31.927 26.578 15.255 1010 HD13 LEU 35 HD13 LEU 35 -31.135 25.524 16.421 1011 HD21 LEU 35 HD21 LEU 35 -30.039 27.182 14.024 1012 HD22 LEU 35 HD22 LEU 35 -28.884 26.000 13.411 1013 HD23 LEU 35 HD23 LEU 35 -28.985 26.318 15.143 1014 H SER 36 H SER 36 -29.136 21.638 12.777 1015 HA SER 36 HA SER 36 -29.858 22.734 10.333 1016 HB2 SER 36 HB2 SER 36 -27.767 21.568 10.556 1017 HB3 SER 36 HB3 SER 36 -28.589 20.063 10.964 1018 HG SER 36 HG SER 36 -29.624 20.860 8.704 1019 H VAL 37 H VAL 37 -31.057 19.780 11.886 1020 HA VAL 37 HA VAL 37 -32.673 18.989 9.657 1021 HB VAL 37 HB VAL 37 -33.721 17.434 11.323 1022 HG11 VAL 37 HG11 VAL 37 -31.735 16.741 10.087 1023 HG12 VAL 37 HG12 VAL 37 -31.611 16.163 11.748 1024 HG13 VAL 37 HG13 VAL 37 -30.691 17.578 11.235 1025 HG21 VAL 37 HG21 VAL 37 -32.767 17.364 13.585 1026 HG22 VAL 37 HG22 VAL 37 -33.489 18.944 13.283 1027 HG23 VAL 37 HG23 VAL 37 -31.738 18.745 13.208 1028 H SER 38 H SER 38 -33.126 21.064 12.427 1029 HA SER 38 HA SER 38 -35.588 22.086 11.319 1030 HB2 SER 38 HB2 SER 38 -35.630 20.566 13.936 1031 HB3 SER 38 HB3 SER 38 -36.934 21.604 13.364 1032 HG SER 38 HG SER 38 -37.535 19.749 12.518 1033 H GLU 39 H GLU 39 -35.175 24.193 11.475 1034 HA GLU 39 HA GLU 39 -33.392 25.505 13.090 1035 HB2 GLU 39 HB2 GLU 39 -34.861 27.529 12.784 1036 HB3 GLU 39 HB3 GLU 39 -34.467 26.678 11.291 1037 HG2 GLU 39 HG2 GLU 39 -36.628 25.518 11.357 1038 HG3 GLU 39 HG3 GLU 39 -37.021 26.305 12.885 1039 H ALA 40 H ALA 40 -33.893 27.080 14.886 1040 HA ALA 40 HA ALA 40 -36.075 26.357 16.671 1041 HB1 ALA 40 HB1 ALA 40 -33.250 26.048 17.688 1042 HB2 ALA 40 HB2 ALA 40 -34.179 24.685 17.062 1043 HB3 ALA 40 HB3 ALA 40 -34.754 25.569 18.476 1044 H SER 41 H SER 41 -36.460 27.885 18.264 1045 HA SER 41 HA SER 41 -35.394 30.517 17.731 1046 HB2 SER 41 HB2 SER 41 -37.239 29.694 19.979 1047 HB3 SER 41 HB3 SER 41 -37.036 31.302 19.287 1048 HG SER 41 HG SER 41 -37.917 30.542 17.364 1049 H VAL 42 H VAL 42 -35.503 31.558 20.354 1050 HA VAL 42 HA VAL 42 -32.828 30.896 21.237 1051 HB VAL 42 HB VAL 42 -34.881 32.863 22.270 1052 HG11 VAL 42 HG11 VAL 42 -32.850 33.811 23.485 1053 HG12 VAL 42 HG12 VAL 42 -32.039 32.283 23.137 1054 HG13 VAL 42 HG13 VAL 42 -33.489 32.304 24.142 1055 HG21 VAL 42 HG21 VAL 42 -33.520 34.511 21.170 1056 HG22 VAL 42 HG22 VAL 42 -33.804 33.225 19.997 1057 HG23 VAL 42 HG23 VAL 42 -32.255 33.329 20.836 1058 H GLY 43 H GLY 43 -35.894 31.144 23.066 1059 HA2 GLY 43 HA2 GLY 43 -34.960 29.732 25.301 1060 HA3 GLY 43 HA3 GLY 43 -36.654 29.993 24.905 1061 H HIS 44 H HIS 44 -37.006 28.597 22.606 1062 HA HIS 44 HA HIS 44 -37.587 26.057 23.358 1063 HB2 HIS 44 HB2 HIS 44 -36.594 26.796 20.597 1064 HB3 HIS 44 HB3 HIS 44 -37.646 25.442 21.012 1065 HD1 HIS 44 HD1 HIS 44 -38.544 27.735 19.069 1066 HD2 HIS 44 HD2 HIS 44 -39.445 27.585 23.138 1067 HE1 HIS 44 HE1 HIS 44 -40.617 29.149 19.394 1068 HE2 HIS 44 HE2 HIS 44 -41.179 29.072 21.868 1069 H ILE 45 H ILE 45 -34.425 27.283 22.733 1070 HA ILE 45 HA ILE 45 -33.211 24.703 22.240 1071 HB ILE 45 HB ILE 45 -32.021 27.434 22.757 1072 HG12 ILE 45 HG12 ILE 45 -32.101 25.805 20.208 1073 HG13 ILE 45 HG13 ILE 45 -33.360 26.967 20.623 1074 HG21 ILE 45 HG21 ILE 45 -29.948 26.301 21.783 1075 HG22 ILE 45 HG22 ILE 45 -30.759 24.766 22.093 1076 HG23 ILE 45 HG23 ILE 45 -30.370 25.843 23.434 1077 HD11 ILE 45 HD11 ILE 45 -31.671 28.031 19.192 1078 HD12 ILE 45 HD12 ILE 45 -30.401 27.570 20.324 1079 HD13 ILE 45 HD13 ILE 45 -31.628 28.743 20.805 1080 H SER 46 H SER 46 -33.636 26.856 25.015 1081 HA SER 46 HA SER 46 -31.775 25.937 26.784 1082 HB2 SER 46 HB2 SER 46 -33.560 26.338 28.563 1083 HB3 SER 46 HB3 SER 46 -33.235 27.685 27.473 1084 HG SER 46 HG SER 46 -35.231 25.777 26.906 1085 H HIS 47 H HIS 47 -34.859 24.389 25.975 1086 HA HIS 47 HA HIS 47 -34.620 22.285 27.885 1087 HB2 HIS 47 HB2 HIS 47 -36.226 22.383 25.316 1088 HB3 HIS 47 HB3 HIS 47 -36.448 21.226 26.630 1089 HD1 HIS 47 HD1 HIS 47 -35.592 24.487 27.967 1090 HD2 HIS 47 HD2 HIS 47 -39.110 22.629 26.721 1091 HE1 HIS 47 HE1 HIS 47 -37.496 25.831 28.950 1092 HE2 HIS 47 HE2 HIS 47 -39.650 24.716 28.199 1093 H GLN 48 H GLN 48 -33.117 22.899 24.906 1094 HA GLN 48 HA GLN 48 -32.727 20.198 24.056 1095 HB2 GLN 48 HB2 GLN 48 -32.578 22.354 22.650 1096 HB3 GLN 48 HB3 GLN 48 -30.950 22.518 23.303 1097 HG2 GLN 48 HG2 GLN 48 -30.700 21.341 21.247 1098 HG3 GLN 48 HG3 GLN 48 -30.541 20.123 22.512 1099 HE21 GLN 48 HE21 GLN 48 -33.430 21.668 20.984 1100 HE22 GLN 48 HE22 GLN 48 -34.165 20.198 20.559 1101 H LEU 49 H LEU 49 -30.449 22.586 25.444 1102 HA LEU 49 HA LEU 49 -29.223 20.709 27.195 1103 HB2 LEU 49 HB2 LEU 49 -28.362 19.745 25.128 1104 HB3 LEU 49 HB3 LEU 49 -27.801 21.323 24.591 1105 HG LEU 49 HG LEU 49 -26.161 21.408 26.381 1106 HD11 LEU 49 HD11 LEU 49 -25.912 19.214 27.771 1107 HD12 LEU 49 HD12 LEU 49 -27.589 18.915 27.315 1108 HD13 LEU 49 HD13 LEU 49 -27.167 20.354 28.242 1109 HD21 LEU 49 HD21 LEU 49 -26.209 18.751 24.930 1110 HD22 LEU 49 HD22 LEU 49 -24.795 19.420 25.741 1111 HD23 LEU 49 HD23 LEU 49 -25.490 20.253 24.351 1112 H ASN 50 H ASN 50 -29.506 23.767 25.699 1113 HA ASN 50 HA ASN 50 -27.207 24.983 26.950 1114 HB2 ASN 50 HB2 ASN 50 -29.569 26.295 25.595 1115 HB3 ASN 50 HB3 ASN 50 -28.016 27.042 25.964 1116 HD21 ASN 50 HD21 ASN 50 -27.319 23.884 25.163 1117 HD22 ASN 50 HD22 ASN 50 -27.018 24.079 23.504 1118 H LEU 51 H LEU 51 -30.307 24.198 28.080 1119 HA LEU 51 HA LEU 51 -31.624 24.993 29.812 1120 HB2 LEU 51 HB2 LEU 51 -28.790 24.991 30.842 1121 HB3 LEU 51 HB3 LEU 51 -30.123 25.453 31.897 1122 HG LEU 51 HG LEU 51 -31.241 23.274 31.347 1123 HD11 LEU 51 HD11 LEU 51 -29.638 21.511 30.413 1124 HD12 LEU 51 HD12 LEU 51 -28.623 22.854 29.891 1125 HD13 LEU 51 HD13 LEU 51 -30.258 22.683 29.251 1126 HD21 LEU 51 HD21 LEU 51 -29.678 21.904 32.725 1127 HD22 LEU 51 HD22 LEU 51 -29.948 23.509 33.404 1128 HD23 LEU 51 HD23 LEU 51 -28.454 23.160 32.535 1129 H SER 52 H SER 52 -28.943 27.042 30.755 1130 HA SER 52 HA SER 52 -30.501 29.345 31.140 1131 HB2 SER 52 HB2 SER 52 -28.255 30.541 31.034 1132 HB3 SER 52 HB3 SER 52 -28.374 29.232 32.211 1133 HG SER 52 HG SER 52 -27.369 27.871 30.688 1134 H GLN 53 H GLN 53 -31.312 30.814 29.782 1135 HA GLN 53 HA GLN 53 -31.019 30.463 26.950 1136 HB2 GLN 53 HB2 GLN 53 -32.317 32.815 28.325 1137 HB3 GLN 53 HB3 GLN 53 -32.688 32.135 26.740 1138 HG2 GLN 53 HG2 GLN 53 -33.302 29.977 27.975 1139 HG3 GLN 53 HG3 GLN 53 -33.244 30.931 29.457 1140 HE21 GLN 53 HE21 GLN 53 -35.676 29.716 28.420 1141 HE22 GLN 53 HE22 GLN 53 -36.737 30.974 28.005 1142 H SER 54 H SER 54 -29.519 32.482 29.347 1143 HA SER 54 HA SER 54 -28.642 34.544 27.573 1144 HB2 SER 54 HB2 SER 54 -27.314 33.777 30.172 1145 HB3 SER 54 HB3 SER 54 -27.381 35.363 29.407 1146 HG SER 54 HG SER 54 -29.857 34.642 29.679 1147 H ASN 55 H ASN 55 -27.418 31.409 28.477 1148 HA ASN 55 HA ASN 55 -24.725 31.815 27.651 1149 HB2 ASN 55 HB2 ASN 55 -25.363 29.994 29.163 1150 HB3 ASN 55 HB3 ASN 55 -26.318 29.251 27.882 1151 HD21 ASN 55 HD21 ASN 55 -24.624 27.428 28.484 1152 HD22 ASN 55 HD22 ASN 55 -23.189 27.435 27.576 1153 H VAL 56 H VAL 56 -27.568 30.429 26.018 1154 HA VAL 56 HA VAL 56 -26.131 29.812 23.617 1155 HB VAL 56 HB VAL 56 -28.128 28.559 24.190 1156 HG11 VAL 56 HG11 VAL 56 -29.627 31.170 23.835 1157 HG12 VAL 56 HG12 VAL 56 -29.266 30.430 25.394 1158 HG13 VAL 56 HG13 VAL 56 -30.327 29.606 24.250 1159 HG21 VAL 56 HG21 VAL 56 -27.540 29.078 21.758 1160 HG22 VAL 56 HG22 VAL 56 -28.819 30.293 21.812 1161 HG23 VAL 56 HG23 VAL 56 -29.207 28.590 22.063 1162 H SER 57 H SER 57 -28.107 32.515 24.724 1163 HA SER 57 HA SER 57 -28.380 33.842 22.246 1164 HB2 SER 57 HB2 SER 57 -28.202 35.134 24.977 1165 HB3 SER 57 HB3 SER 57 -28.998 35.777 23.542 1166 HG SER 57 HG SER 57 -30.347 34.663 25.171 1167 H HIS 58 H HIS 58 -25.858 33.931 24.721 1168 HA HIS 58 HA HIS 58 -24.399 36.102 23.600 1169 HB2 HIS 58 HB2 HIS 58 -24.183 35.298 25.958 1170 HB3 HIS 58 HB3 HIS 58 -23.362 33.861 25.350 1171 HD1 HIS 58 HD1 HIS 58 -22.927 37.577 25.744 1172 HD2 HIS 58 HD2 HIS 58 -20.698 34.290 24.476 1173 HE1 HIS 58 HE1 HIS 58 -20.538 38.380 25.515 1174 HE2 HIS 58 HE2 HIS 58 -19.164 36.388 24.747 1175 H GLN 59 H GLN 59 -23.682 32.601 23.619 1176 HA GLN 59 HA GLN 59 -21.491 32.653 21.915 1177 HB2 GLN 59 HB2 GLN 59 -23.600 30.514 22.287 1178 HB3 GLN 59 HB3 GLN 59 -22.091 30.270 21.406 1179 HG2 GLN 59 HG2 GLN 59 -20.804 30.853 23.414 1180 HG3 GLN 59 HG3 GLN 59 -22.298 31.154 24.300 1181 HE21 GLN 59 HE21 GLN 59 -23.834 28.922 23.356 1182 HE22 GLN 59 HE22 GLN 59 -23.114 27.500 23.942 1183 H LEU 60 H LEU 60 -24.937 32.481 21.115 1184 HA LEU 60 HA LEU 60 -24.660 31.996 18.361 1185 HB2 LEU 60 HB2 LEU 60 -26.781 31.845 19.739 1186 HB3 LEU 60 HB3 LEU 60 -26.848 33.602 19.693 1187 HG LEU 60 HG LEU 60 -26.681 33.328 17.105 1188 HD11 LEU 60 HD11 LEU 60 -27.487 30.533 17.961 1189 HD12 LEU 60 HD12 LEU 60 -26.156 30.994 16.899 1190 HD13 LEU 60 HD13 LEU 60 -27.819 31.182 16.359 1191 HD21 LEU 60 HD21 LEU 60 -29.150 32.984 16.957 1192 HD22 LEU 60 HD22 LEU 60 -28.692 34.144 18.204 1193 HD23 LEU 60 HD23 LEU 60 -29.150 32.501 18.654 1194 H LYS 61 H LYS 61 -24.460 34.940 20.251 1195 HA LYS 61 HA LYS 61 -24.713 36.772 18.101 1196 HB2 LYS 61 HB2 LYS 61 -24.887 37.243 20.616 1197 HB3 LYS 61 HB3 LYS 61 -23.129 37.245 20.625 1198 HG2 LYS 61 HG2 LYS 61 -23.578 39.512 20.292 1199 HG3 LYS 61 HG3 LYS 61 -23.383 38.956 18.634 1200 HD2 LYS 61 HD2 LYS 61 -25.801 38.814 18.352 1201 HD3 LYS 61 HD3 LYS 61 -26.055 39.188 20.056 1202 HE2 LYS 61 HE2 LYS 61 -24.607 41.046 18.156 1203 HE3 LYS 61 HE3 LYS 61 -26.339 41.150 18.474 1204 HZ1 LYS 61 HZ1 LYS 61 -24.875 40.963 20.896 1205 HZ2 LYS 61 HZ2 LYS 61 -25.952 42.173 20.384 1206 HZ3 LYS 61 HZ3 LYS 61 -24.309 42.264 19.964 1207 H LEU 62 H LEU 62 -21.996 34.993 19.433 1208 HA LEU 62 HA LEU 62 -19.943 36.489 18.172 1209 HB2 LEU 62 HB2 LEU 62 -19.733 34.803 20.096 1210 HB3 LEU 62 HB3 LEU 62 -19.802 33.555 18.858 1211 HG LEU 62 HG LEU 62 -17.876 34.938 17.716 1212 HD11 LEU 62 HD11 LEU 62 -16.398 35.997 19.464 1213 HD12 LEU 62 HD12 LEU 62 -17.747 35.905 20.590 1214 HD13 LEU 62 HD13 LEU 62 -17.873 36.898 19.138 1215 HD21 LEU 62 HD21 LEU 62 -17.566 32.685 18.614 1216 HD22 LEU 62 HD22 LEU 62 -17.431 33.333 20.249 1217 HD23 LEU 62 HD23 LEU 62 -16.188 33.697 19.050 1218 H LEU 63 H LEU 63 -21.834 33.673 17.178 1219 HA LEU 63 HA LEU 63 -20.347 33.073 14.841 1220 HB2 LEU 63 HB2 LEU 63 -23.305 32.579 15.166 1221 HB3 LEU 63 HB3 LEU 63 -22.129 31.627 14.260 1222 HG LEU 63 HG LEU 63 -22.304 31.916 17.272 1223 HD11 LEU 63 HD11 LEU 63 -22.640 29.441 17.131 1224 HD12 LEU 63 HD12 LEU 63 -22.666 29.579 15.372 1225 HD13 LEU 63 HD13 LEU 63 -23.924 30.352 16.336 1226 HD21 LEU 63 HD21 LEU 63 -20.415 30.166 17.153 1227 HD22 LEU 63 HD22 LEU 63 -19.975 31.836 16.796 1228 HD23 LEU 63 HD23 LEU 63 -20.202 30.684 15.480 1229 H LYS 64 H LYS 64 -22.749 35.478 15.559 1230 HA LYS 64 HA LYS 64 -23.484 36.015 12.835 1231 HB2 LYS 64 HB2 LYS 64 -24.877 36.564 14.882 1232 HB3 LYS 64 HB3 LYS 64 -23.754 37.889 15.191 1233 HG2 LYS 64 HG2 LYS 64 -24.215 38.685 12.823 1234 HG3 LYS 64 HG3 LYS 64 -25.516 37.496 12.759 1235 HD2 LYS 64 HD2 LYS 64 -26.508 38.544 14.804 1236 HD3 LYS 64 HD3 LYS 64 -25.262 39.790 14.726 1237 HE2 LYS 64 HE2 LYS 64 -27.436 39.217 12.699 1238 HE3 LYS 64 HE3 LYS 64 -27.182 40.701 13.618 1239 HZ1 LYS 64 HZ1 LYS 64 -25.123 41.063 12.450 1240 HZ2 LYS 64 HZ2 LYS 64 -26.382 40.872 11.327 1241 HZ3 LYS 64 HZ3 LYS 64 -25.293 39.599 11.608 1242 H SER 65 H SER 65 -20.974 37.087 15.006 1243 HA SER 65 HA SER 65 -20.238 39.456 13.624 1244 HB2 SER 65 HB2 SER 65 -18.394 37.697 15.247 1245 HB3 SER 65 HB3 SER 65 -18.267 39.434 14.972 1246 HG SER 65 HG SER 65 -19.215 38.703 17.034 1247 H VAL 66 H VAL 66 -19.339 36.068 13.289 1248 HA VAL 66 HA VAL 66 -17.255 36.596 11.359 1249 HB VAL 66 HB VAL 66 -18.618 33.980 12.040 1250 HG11 VAL 66 HG11 VAL 66 -16.274 33.144 11.332 1251 HG12 VAL 66 HG12 VAL 66 -16.073 34.731 10.594 1252 HG13 VAL 66 HG13 VAL 66 -17.365 33.661 10.051 1253 HG21 VAL 66 HG21 VAL 66 -16.186 35.332 13.243 1254 HG22 VAL 66 HG22 VAL 66 -16.679 33.672 13.577 1255 HG23 VAL 66 HG23 VAL 66 -17.718 35.014 14.058 1256 H HIS 67 H HIS 67 -20.506 36.831 11.201 1257 HA HIS 67 HA HIS 67 -21.909 37.221 9.454 1258 HB2 HIS 67 HB2 HIS 67 -19.650 37.892 8.319 1259 HB3 HIS 67 HB3 HIS 67 -19.810 36.361 7.465 1260 HD1 HIS 67 HD1 HIS 67 -20.963 36.608 5.288 1261 HD2 HIS 67 HD2 HIS 67 -22.358 39.386 8.065 1262 HE1 HIS 67 HE1 HIS 67 -22.705 38.001 4.092 1263 HE2 HIS 67 HE2 HIS 67 -23.567 39.700 5.771 1264 H LEU 68 H LEU 68 -20.901 34.372 10.477 1265 HA LEU 68 HA LEU 68 -21.633 32.533 8.471 1266 HB2 LEU 68 HB2 LEU 68 -21.787 32.268 11.481 1267 HB3 LEU 68 HB3 LEU 68 -21.924 30.927 10.351 1268 HG LEU 68 HG LEU 68 -19.521 32.756 10.258 1269 HD11 LEU 68 HD11 LEU 68 -18.338 31.261 11.785 1270 HD12 LEU 68 HD12 LEU 68 -19.793 30.286 11.994 1271 HD13 LEU 68 HD13 LEU 68 -19.747 31.943 12.596 1272 HD21 LEU 68 HD21 LEU 68 -19.713 31.224 8.395 1273 HD22 LEU 68 HD22 LEU 68 -20.043 29.871 9.477 1274 HD23 LEU 68 HD23 LEU 68 -18.450 30.619 9.459 1275 H VAL 69 H VAL 69 -23.591 31.645 10.980 1276 HA VAL 69 HA VAL 69 -25.920 31.388 9.640 1277 HB VAL 69 HB VAL 69 -27.092 31.490 11.810 1278 HG11 VAL 69 HG11 VAL 69 -25.842 29.467 11.266 1279 HG12 VAL 69 HG12 VAL 69 -25.653 29.815 12.985 1280 HG13 VAL 69 HG13 VAL 69 -24.349 30.195 11.861 1281 HG21 VAL 69 HG21 VAL 69 -24.452 32.660 12.734 1282 HG22 VAL 69 HG22 VAL 69 -25.691 32.051 13.831 1283 HG23 VAL 69 HG23 VAL 69 -26.035 33.434 12.793 1284 H LYS 70 H LYS 70 -28.020 32.562 9.958 1285 HA LYS 70 HA LYS 70 -27.775 35.499 10.092 1286 HB2 LYS 70 HB2 LYS 70 -29.031 33.960 7.804 1287 HB3 LYS 70 HB3 LYS 70 -29.147 35.705 8.038 1288 HG2 LYS 70 HG2 LYS 70 -26.587 35.724 8.068 1289 HG3 LYS 70 HG3 LYS 70 -26.669 34.066 7.471 1290 HD2 LYS 70 HD2 LYS 70 -28.144 34.925 5.595 1291 HD3 LYS 70 HD3 LYS 70 -27.751 36.559 6.132 1292 HE2 LYS 70 HE2 LYS 70 -25.291 35.874 5.928 1293 HE3 LYS 70 HE3 LYS 70 -25.866 34.449 5.064 1294 HZ1 LYS 70 HZ1 LYS 70 -26.776 35.758 3.372 1295 HZ2 LYS 70 HZ2 LYS 70 -25.258 36.456 3.678 1296 HZ3 LYS 70 HZ3 LYS 70 -26.667 37.187 4.282 1297 H ALA 71 H ALA 71 -29.628 36.530 10.771 1298 HA ALA 71 HA ALA 71 -31.735 34.783 11.906 1299 HB1 ALA 71 HB1 ALA 71 -30.308 36.317 13.377 1300 HB2 ALA 71 HB2 ALA 71 -32.058 36.442 13.559 1301 HB3 ALA 71 HB3 ALA 71 -31.177 37.657 12.631 1302 H LYS 72 H LYS 72 -33.798 34.985 11.305 1303 HA LYS 72 HA LYS 72 -34.529 37.078 9.332 1304 HB2 LYS 72 HB2 LYS 72 -34.804 34.661 8.676 1305 HB3 LYS 72 HB3 LYS 72 -35.988 34.507 9.975 1306 HG2 LYS 72 HG2 LYS 72 -37.430 36.150 8.956 1307 HG3 LYS 72 HG3 LYS 72 -36.198 36.577 7.771 1308 HD2 LYS 72 HD2 LYS 72 -37.925 35.088 6.798 1309 HD3 LYS 72 HD3 LYS 72 -36.329 34.342 6.780 1310 HE2 LYS 72 HE2 LYS 72 -38.350 32.922 7.604 1311 HE3 LYS 72 HE3 LYS 72 -36.857 32.875 8.540 1312 HZ1 LYS 72 HZ1 LYS 72 -37.773 34.030 10.232 1313 HZ2 LYS 72 HZ2 LYS 72 -39.213 33.370 9.620 1314 HZ3 LYS 72 HZ3 LYS 72 -38.772 34.961 9.223 1315 H ARG 73 H ARG 73 -35.981 38.586 9.883 1316 HA ARG 73 HA ARG 73 -37.078 38.570 12.596 1317 HB2 ARG 73 HB2 ARG 73 -37.349 40.707 10.477 1318 HB3 ARG 73 HB3 ARG 73 -37.579 40.879 12.217 1319 HG2 ARG 73 HG2 ARG 73 -35.177 40.282 12.553 1320 HG3 ARG 73 HG3 ARG 73 -34.972 40.238 10.802 1321 HD2 ARG 73 HD2 ARG 73 -35.846 42.625 10.758 1322 HD3 ARG 73 HD3 ARG 73 -35.711 42.623 12.514 1323 HE ARG 73 HE ARG 73 -33.238 41.809 11.633 1324 HH11 ARG 73 HH21 ARG 73 -35.345 44.496 11.079 1325 HH12 ARG 73 HH22 ARG 73 -34.061 45.621 10.790 1326 HH21 ARG 73 HH11 ARG 73 -31.547 43.278 11.252 1327 HH22 ARG 73 HH12 ARG 73 -31.910 44.934 10.892 1328 H GLN 74 H GLN 74 -39.039 37.791 13.000 1329 HA GLN 74 HA GLN 74 -41.211 38.160 11.024 1330 HB2 GLN 74 HB2 GLN 74 -40.232 35.814 10.923 1331 HB3 GLN 74 HB3 GLN 74 -40.806 35.598 12.577 1332 HG2 GLN 74 HG2 GLN 74 -43.102 36.327 11.728 1333 HG3 GLN 74 HG3 GLN 74 -42.450 36.154 10.099 1334 HE21 GLN 74 HE21 GLN 74 -42.037 33.995 9.309 1335 HE22 GLN 74 HE22 GLN 74 -42.542 32.613 10.156 1336 H GLY 75 H GLY 75 -41.968 39.857 12.344 1337 HA2 GLY 75 HA2 GLY 75 -43.344 40.734 13.975 1338 HA3 GLY 75 HA3 GLY 75 -43.754 39.081 14.425 1339 H GLN 76 H GLN 76 -43.686 40.024 16.642 1340 HA GLN 76 HA GLN 76 -41.291 40.957 17.818 1341 HB2 GLN 76 HB2 GLN 76 -42.397 40.373 19.970 1342 HB3 GLN 76 HB3 GLN 76 -43.449 41.297 18.896 1343 HG2 GLN 76 HG2 GLN 76 -44.423 39.120 18.096 1344 HG3 GLN 76 HG3 GLN 76 -43.481 38.299 19.340 1345 HE21 GLN 76 HE21 GLN 76 -43.796 40.343 21.402 1346 HE22 GLN 76 HE22 GLN 76 -45.422 40.312 21.888 1347 H SER 77 H SER 77 -42.089 37.924 16.623 1348 HA SER 77 HA SER 77 -40.367 36.423 18.478 1349 HB2 SER 77 HB2 SER 77 -42.514 35.421 17.872 1350 HB3 SER 77 HB3 SER 77 -42.099 35.523 16.162 1351 HG SER 77 HG SER 77 -41.422 33.656 17.970 1352 H MET 78 H MET 78 -38.268 36.375 18.046 1353 HA MET 78 HA MET 78 -37.292 36.631 15.271 1354 HB2 MET 78 HB2 MET 78 -35.811 36.732 17.911 1355 HB3 MET 78 HB3 MET 78 -35.106 37.017 16.319 1356 HG2 MET 78 HG2 MET 78 -36.649 38.923 15.987 1357 HG3 MET 78 HG3 MET 78 -37.329 38.645 17.590 1358 HE1 MET 78 HE1 MET 78 -36.528 40.008 19.597 1359 HE2 MET 78 HE2 MET 78 -34.856 39.746 20.092 1360 HE3 MET 78 HE3 MET 78 -35.871 38.371 19.662 1361 H ILE 79 H ILE 79 -36.149 35.034 14.278 1362 HA ILE 79 HA ILE 79 -35.488 32.569 15.757 1363 HB ILE 79 HB ILE 79 -36.443 31.188 13.956 1364 HG12 ILE 79 HG12 ILE 79 -37.520 33.843 12.956 1365 HG13 ILE 79 HG13 ILE 79 -36.340 32.823 12.132 1366 HG21 ILE 79 HG21 ILE 79 -38.551 33.081 15.020 1367 HG22 ILE 79 HG22 ILE 79 -37.742 31.891 16.039 1368 HG23 ILE 79 HG23 ILE 79 -38.720 31.361 14.670 1369 HD11 ILE 79 HD11 ILE 79 -39.251 32.216 12.689 1370 HD12 ILE 79 HD12 ILE 79 -38.101 30.968 12.210 1371 HD13 ILE 79 HD13 ILE 79 -38.445 32.312 11.123 1372 H TYR 80 H TYR 80 -34.032 31.166 14.536 1373 HA TYR 80 HA TYR 80 -32.386 32.592 12.518 1374 HB2 TYR 80 HB2 TYR 80 -31.276 30.897 14.759 1375 HB3 TYR 80 HB3 TYR 80 -30.381 31.902 13.620 1376 HD1 TYR 80 HD1 TYR 80 -33.016 32.081 16.275 1377 HD2 TYR 80 HD2 TYR 80 -29.891 34.146 14.170 1378 HE1 TYR 80 HE1 TYR 80 -33.264 34.017 17.804 1379 HE2 TYR 80 HE2 TYR 80 -30.137 36.079 15.704 1380 HH TYR 80 HH TYR 80 -31.011 36.411 18.121 1381 H SER 81 H SER 81 -30.926 31.089 11.346 1382 HA SER 81 HA SER 81 -31.592 28.276 11.328 1383 HB2 SER 81 HB2 SER 81 -32.286 29.944 8.899 1384 HB3 SER 81 HB3 SER 81 -32.480 28.201 9.074 1385 HG SER 81 HG SER 81 -33.720 29.119 11.105 1386 H LEU 82 H LEU 82 -30.616 27.458 8.978 1387 HA LEU 82 HA LEU 82 -27.824 27.700 9.272 1388 HB2 LEU 82 HB2 LEU 82 -29.420 26.789 6.868 1389 HB3 LEU 82 HB3 LEU 82 -27.703 26.495 7.116 1390 HG LEU 82 HG LEU 82 -29.764 25.617 9.149 1391 HD11 LEU 82 HD11 LEU 82 -29.571 23.343 8.044 1392 HD12 LEU 82 HD12 LEU 82 -28.828 24.160 6.668 1393 HD13 LEU 82 HD13 LEU 82 -30.486 24.543 7.133 1394 HD21 LEU 82 HD21 LEU 82 -27.953 23.866 9.556 1395 HD22 LEU 82 HD22 LEU 82 -27.533 25.512 10.011 1396 HD23 LEU 82 HD23 LEU 82 -26.908 24.823 8.512 1397 H ASP 83 H ASP 83 -26.400 28.297 7.327 1398 HA ASP 83 HA ASP 83 -26.855 31.103 6.760 1399 HB2 ASP 83 HB2 ASP 83 -24.612 29.332 5.771 1400 HB3 ASP 83 HB3 ASP 83 -24.625 31.092 5.870 1401 H ASP 84 H ASP 84 -25.761 28.510 4.563 1402 HA ASP 84 HA ASP 84 -27.939 28.909 2.733 1403 HB2 ASP 84 HB2 ASP 84 -26.468 29.670 0.852 1404 HB3 ASP 84 HB3 ASP 84 -26.672 30.879 2.118 1405 H ILE 85 H ILE 85 -26.926 27.842 0.448 1406 HA ILE 85 HA ILE 85 -26.553 25.106 1.172 1407 HB ILE 85 HB ILE 85 -26.242 24.819 -1.329 1408 HG12 ILE 85 HG12 ILE 85 -26.954 27.763 -1.381 1409 HG13 ILE 85 HG13 ILE 85 -25.314 27.159 -1.626 1410 HG21 ILE 85 HG21 ILE 85 -28.600 25.405 -1.822 1411 HG22 ILE 85 HG22 ILE 85 -28.658 26.363 -0.342 1412 HG23 ILE 85 HG23 ILE 85 -28.441 24.615 -0.252 1413 HD11 ILE 85 HD11 ILE 85 -26.456 27.511 -3.787 1414 HD12 ILE 85 HD12 ILE 85 -27.736 26.405 -3.290 1415 HD13 ILE 85 HD13 ILE 85 -26.096 25.803 -3.534 1416 H HIS 86 H HIS 86 -24.531 26.067 2.485 1417 HA HIS 86 HA HIS 86 -22.172 25.117 1.019 1418 HB2 HIS 86 HB2 HIS 86 -22.215 27.764 2.493 1419 HB3 HIS 86 HB3 HIS 86 -20.814 27.019 1.723 1420 HD1 HIS 86 HD1 HIS 86 -22.960 29.649 1.049 1421 HD2 HIS 86 HD2 HIS 86 -21.830 26.343 -1.227 1422 HE1 HIS 86 HE1 HIS 86 -23.399 30.261 -1.366 1423 HE2 HIS 86 HE2 HIS 86 -22.725 28.254 -2.768 1424 H VAL 87 H VAL 87 -23.567 26.262 4.072 1425 HA VAL 87 HA VAL 87 -21.547 24.940 5.671 1426 HB VAL 87 HB VAL 87 -22.886 25.712 7.576 1427 HG11 VAL 87 HG11 VAL 87 -22.642 27.806 5.393 1428 HG12 VAL 87 HG12 VAL 87 -21.330 27.279 6.448 1429 HG13 VAL 87 HG13 VAL 87 -22.721 28.123 7.126 1430 HG21 VAL 87 HG21 VAL 87 -25.126 25.375 6.752 1431 HG22 VAL 87 HG22 VAL 87 -24.852 26.473 5.400 1432 HG23 VAL 87 HG23 VAL 87 -24.936 27.105 7.044 1433 H ALA 88 H ALA 88 -24.886 24.346 4.691 1434 HA ALA 88 HA ALA 88 -25.354 22.135 6.409 1435 HB1 ALA 88 HB1 ALA 88 -26.652 22.569 3.718 1436 HB2 ALA 88 HB2 ALA 88 -27.081 23.525 5.138 1437 HB3 ALA 88 HB3 ALA 88 -27.332 21.778 5.141 1438 H THR 89 H THR 89 -23.962 22.448 3.196 1439 HA THR 89 HA THR 89 -23.999 19.693 2.516 1440 HB THR 89 HB THR 89 -22.198 20.376 0.877 1441 HG1 THR 89 HG1 THR 89 -22.730 23.015 1.604 1442 HG21 THR 89 HG21 THR 89 -24.753 21.997 1.066 1443 HG22 THR 89 HG22 THR 89 -24.523 20.473 0.208 1444 HG23 THR 89 HG23 THR 89 -23.731 21.939 -0.371 1445 H MET 90 H MET 90 -21.184 21.706 3.403 1446 HA MET 90 HA MET 90 -19.316 19.732 3.737 1447 HB2 MET 90 HB2 MET 90 -18.187 21.246 5.338 1448 HB3 MET 90 HB3 MET 90 -18.764 22.103 3.908 1449 HG2 MET 90 HG2 MET 90 -20.798 22.780 5.160 1450 HG3 MET 90 HG3 MET 90 -20.167 21.972 6.595 1451 HE1 MET 90 HE1 MET 90 -20.702 24.099 7.717 1452 HE2 MET 90 HE2 MET 90 -19.420 25.259 8.061 1453 HE3 MET 90 HE3 MET 90 -19.189 23.553 8.444 1454 H LEU 91 H LEU 91 -22.068 20.368 5.722 1455 HA LEU 91 HA LEU 91 -21.112 19.117 8.101 1456 HB2 LEU 91 HB2 LEU 91 -23.136 20.756 7.690 1457 HB3 LEU 91 HB3 LEU 91 -24.034 19.279 7.394 1458 HG LEU 91 HG LEU 91 -24.319 19.813 9.701 1459 HD11 LEU 91 HD11 LEU 91 -22.171 17.690 9.665 1460 HD12 LEU 91 HD12 LEU 91 -23.807 17.416 9.059 1461 HD13 LEU 91 HD13 LEU 91 -23.549 17.821 10.756 1462 HD21 LEU 91 HD21 LEU 91 -22.078 21.220 9.704 1463 HD22 LEU 91 HD22 LEU 91 -21.378 19.726 10.322 1464 HD23 LEU 91 HD23 LEU 91 -22.694 20.506 11.188 1465 H LYS 92 H LYS 92 -23.710 18.016 5.917 1466 HA LYS 92 HA LYS 92 -23.634 15.345 6.842 1467 HB2 LYS 92 HB2 LYS 92 -25.022 14.870 4.811 1468 HB3 LYS 92 HB3 LYS 92 -25.634 16.192 5.803 1469 HG2 LYS 92 HG2 LYS 92 -24.729 17.840 4.295 1470 HG3 LYS 92 HG3 LYS 92 -23.851 16.609 3.389 1471 HD2 LYS 92 HD2 LYS 92 -25.887 15.650 2.553 1472 HD3 LYS 92 HD3 LYS 92 -26.866 16.614 3.660 1473 HE2 LYS 92 HE2 LYS 92 -26.921 17.579 1.396 1474 HE3 LYS 92 HE3 LYS 92 -26.115 18.677 2.517 1475 HZ1 LYS 92 HZ1 LYS 92 -24.994 17.092 0.333 1476 HZ2 LYS 92 HZ2 LYS 92 -24.029 17.311 1.714 1477 HZ3 LYS 92 HZ3 LYS 92 -24.598 18.659 0.851 1478 H GLN 93 H GLN 93 -21.440 16.991 4.914 1479 HA GLN 93 HA GLN 93 -20.682 14.719 3.239 1480 HB2 GLN 93 HB2 GLN 93 -20.547 17.068 2.400 1481 HB3 GLN 93 HB3 GLN 93 -19.311 17.392 3.613 1482 HG2 GLN 93 HG2 GLN 93 -19.018 15.115 1.649 1483 HG3 GLN 93 HG3 GLN 93 -18.528 16.752 1.228 1484 HE21 GLN 93 HE21 GLN 93 -17.153 17.787 3.228 1485 HE22 GLN 93 HE22 GLN 93 -15.914 16.772 3.791 1486 H ALA 94 H ALA 94 -19.704 16.339 6.186 1487 HA ALA 94 HA ALA 94 -17.161 15.033 6.421 1488 HB1 ALA 94 HB1 ALA 94 -17.104 15.974 8.649 1489 HB2 ALA 94 HB2 ALA 94 -18.839 16.287 8.608 1490 HB3 ALA 94 HB3 ALA 94 -17.754 17.191 7.552 1491 H ILE 95 H ILE 95 -20.309 14.596 8.043 1492 HA ILE 95 HA ILE 95 -19.676 12.374 9.594 1493 HB ILE 95 HB ILE 95 -21.815 13.682 9.681 1494 HG12 ILE 95 HG12 ILE 95 -23.293 11.675 10.039 1495 HG13 ILE 95 HG13 ILE 95 -22.021 10.671 9.355 1496 HG21 ILE 95 HG21 ILE 95 -22.076 13.619 7.149 1497 HG22 ILE 95 HG22 ILE 95 -23.540 13.301 8.080 1498 HG23 ILE 95 HG23 ILE 95 -22.656 11.965 7.341 1499 HD11 ILE 95 HD11 ILE 95 -21.336 12.507 11.638 1500 HD12 ILE 95 HD12 ILE 95 -20.624 10.957 11.189 1501 HD13 ILE 95 HD13 ILE 95 -22.201 11.009 11.966 1502 H HIS 96 H HIS 96 -20.218 12.659 6.172 1503 HA HIS 96 HA HIS 96 -20.734 9.915 5.622 1504 HB2 HIS 96 HB2 HIS 96 -21.203 11.865 4.081 1505 HB3 HIS 96 HB3 HIS 96 -19.473 11.924 3.749 1506 HD1 HIS 96 HD1 HIS 96 -18.636 10.384 1.961 1507 HD2 HIS 96 HD2 HIS 96 -22.360 9.191 3.409 1508 HE1 HIS 96 HE1 HIS 96 -19.370 8.434 0.525 1509 HE2 HIS 96 HE2 HIS 96 -21.634 7.687 1.399 1510 H HIS 97 H HIS 97 -17.765 11.865 5.659 1511 HA HIS 97 HA HIS 97 -16.079 9.764 4.716 1512 HB2 HIS 97 HB2 HIS 97 -15.592 12.268 4.662 1513 HB3 HIS 97 HB3 HIS 97 -15.208 12.133 6.378 1514 HD1 HIS 97 HD1 HIS 97 -13.924 11.277 2.983 1515 HD2 HIS 97 HD2 HIS 97 -12.853 10.570 6.949 1516 HE1 HIS 97 HE1 HIS 97 -11.547 10.412 2.937 1517 HE2 HIS 97 HE2 HIS 97 -10.876 9.972 5.346 1518 H ALA 98 H ALA 98 -17.324 10.668 7.830 1519 HA ALA 98 HA ALA 98 -15.387 9.215 9.379 1520 HB1 ALA 98 HB1 ALA 98 -18.128 10.301 10.060 1521 HB2 ALA 98 HB2 ALA 98 -16.572 11.049 10.419 1522 HB3 ALA 98 HB3 ALA 98 -17.042 9.556 11.232 1523 H ASN 99 H ASN 99 -18.525 8.520 7.956 1524 HA ASN 99 HA ASN 99 -18.917 6.042 9.337 1525 HB2 ASN 99 HB2 ASN 99 -20.819 7.269 8.438 1526 HB3 ASN 99 HB3 ASN 99 -20.169 7.133 6.806 1527 HD21 ASN 99 HD21 ASN 99 -20.014 4.488 9.175 1528 HD22 ASN 99 HD22 ASN 99 -21.094 3.466 8.355 1529 H HIS 100 H HIS 100 -16.706 5.197 8.920 1530 HA HIS 100 HA HIS 100 -16.788 3.343 6.704 1531 HB2 HIS 100 HB2 HIS 100 -14.716 5.544 6.796 1532 HB3 HIS 100 HB3 HIS 100 -14.526 4.071 5.845 1533 HD1 HIS 100 HD1 HIS 100 -15.681 7.414 5.478 1534 HD2 HIS 100 HD2 HIS 100 -17.067 3.726 4.115 1535 HE1 HIS 100 HE1 HIS 100 -17.211 7.903 3.523 1536 HE2 HIS 100 HE2 HIS 100 -18.061 5.667 2.676 1537 HA PRO 101 HA PRO 101 -14.734 2.048 10.777 1538 HB2 PRO 101 HB2 PRO 101 -16.274 -0.368 9.838 1539 HB3 PRO 101 HB3 PRO 101 -16.009 0.220 11.490 1540 HG2 PRO 101 HG2 PRO 101 -18.329 0.636 10.280 1541 HG3 PRO 101 HG3 PRO 101 -17.598 1.907 11.272 1542 HD2 PRO 101 HD2 PRO 101 -17.739 1.693 8.277 1543 HD3 PRO 101 HD3 PRO 101 -17.819 3.139 9.306 1544 H LYS 102 H LYS 102 -12.626 1.665 10.355 1545 HA LYS 102 HA LYS 102 -11.649 0.506 7.969 1546 HB2 LYS 102 HB2 LYS 102 -10.231 0.726 10.636 1547 HB3 LYS 102 HB3 LYS 102 -9.477 0.532 9.053 1548 HG2 LYS 102 HG2 LYS 102 -10.277 2.698 8.333 1549 HG3 LYS 102 HG3 LYS 102 -11.254 2.873 9.789 1550 HD2 LYS 102 HD2 LYS 102 -9.227 4.177 10.067 1551 HD3 LYS 102 HD3 LYS 102 -9.154 2.790 11.149 1552 HE2 LYS 102 HE2 LYS 102 -7.573 1.670 9.809 1553 HE3 LYS 102 HE3 LYS 102 -7.938 2.652 8.389 1554 HZ1 LYS 102 HZ1 LYS 102 -5.954 3.085 10.259 1555 HZ2 LYS 102 HZ2 LYS 102 -7.115 4.293 10.539 1556 HZ3 LYS 102 HZ3 LYS 102 -6.422 4.120 8.998 1557 H GLU 103 H GLU 103 -9.940 -1.401 8.284 1558 HA GLU 103 HA GLU 103 -9.734 -3.688 8.412 1559 HB2 GLU 103 HB2 GLU 103 -11.058 -3.168 11.086 1560 HB3 GLU 103 HB3 GLU 103 -10.270 -4.677 10.626 1561 HG2 GLU 103 HG2 GLU 103 -8.139 -3.549 10.360 1562 HG3 GLU 103 HG3 GLU 103 -8.892 -1.977 10.618 Start of MODEL 8 1 H ASN 9 H ASN 9 -21.859 10.607 18.108 2 HA ASN 9 HA ASN 9 -23.025 9.311 20.327 3 HB2 ASN 9 HB2 ASN 9 -22.375 7.278 18.986 4 HB3 ASN 9 HB3 ASN 9 -20.707 7.844 19.041 5 HD21 ASN 9 HD21 ASN 9 -23.407 7.402 21.414 6 HD22 ASN 9 HD22 ASN 9 -22.426 6.689 22.602 7 H THR 10 H THR 10 -21.760 9.784 22.151 8 HA THR 10 HA THR 10 -20.220 12.097 22.092 9 HB THR 10 HB THR 10 -21.134 11.424 24.180 10 HG1 THR 10 HG1 THR 10 -19.124 11.086 25.429 11 HG21 THR 10 HG21 THR 10 -21.316 9.027 23.740 12 HG22 THR 10 HG22 THR 10 -20.461 9.280 25.262 13 HG23 THR 10 HG23 THR 10 -19.561 8.858 23.805 14 H ASP 11 H ASP 11 -19.289 8.777 21.558 15 HA ASP 11 HA ASP 11 -16.476 9.117 21.913 16 HB2 ASP 11 HB2 ASP 11 -17.702 6.914 21.898 17 HB3 ASP 11 HB3 ASP 11 -17.875 7.094 20.153 18 H THR 12 H THR 12 -18.394 8.703 18.928 19 HA THR 12 HA THR 12 -16.388 9.419 17.122 20 HB THR 12 HB THR 12 -18.225 9.883 15.543 21 HG1 THR 12 HG1 THR 12 -19.526 10.321 17.877 22 HG21 THR 12 HG21 THR 12 -18.728 7.512 17.368 23 HG22 THR 12 HG22 THR 12 -17.600 7.549 16.012 24 HG23 THR 12 HG23 THR 12 -19.335 7.678 15.721 25 H LEU 13 H LEU 13 -18.546 11.413 19.055 26 HA LEU 13 HA LEU 13 -18.113 13.843 17.693 27 HB2 LEU 13 HB2 LEU 13 -19.757 13.064 19.692 28 HB3 LEU 13 HB3 LEU 13 -18.559 13.907 20.658 29 HG LEU 13 HG LEU 13 -19.991 15.105 18.265 30 HD11 LEU 13 HD11 LEU 13 -21.218 16.399 20.013 31 HD12 LEU 13 HD12 LEU 13 -20.472 15.372 21.239 32 HD13 LEU 13 HD13 LEU 13 -21.568 14.669 20.050 33 HD21 LEU 13 HD21 LEU 13 -17.989 16.149 20.269 34 HD22 LEU 13 HD22 LEU 13 -19.127 17.246 19.486 35 HD23 LEU 13 HD23 LEU 13 -17.994 16.319 18.514 36 H GLU 14 H GLU 14 -16.095 11.947 19.635 37 HA GLU 14 HA GLU 14 -14.280 14.100 20.409 38 HB2 GLU 14 HB2 GLU 14 -14.610 11.915 21.713 39 HB3 GLU 14 HB3 GLU 14 -13.689 11.137 20.427 40 HG2 GLU 14 HG2 GLU 14 -11.801 12.647 20.834 41 HG3 GLU 14 HG3 GLU 14 -12.722 13.491 22.075 42 H ARG 15 H ARG 15 -15.009 12.209 17.727 43 HA ARG 15 HA ARG 15 -12.340 12.378 16.507 44 HB2 ARG 15 HB2 ARG 15 -13.778 10.278 16.440 45 HB3 ARG 15 HB3 ARG 15 -14.822 11.144 15.315 46 HG2 ARG 15 HG2 ARG 15 -12.816 11.567 13.868 47 HG3 ARG 15 HG3 ARG 15 -11.872 10.545 14.952 48 HD2 ARG 15 HD2 ARG 15 -13.361 8.650 14.494 49 HD3 ARG 15 HD3 ARG 15 -14.360 9.665 13.458 50 HE ARG 15 HE ARG 15 -11.913 9.901 12.319 51 HH11 ARG 15 HH21 ARG 15 -13.819 7.218 13.387 52 HH12 ARG 15 HH22 ARG 15 -13.190 6.122 12.201 53 HH21 ARG 15 HH11 ARG 15 -11.078 8.469 10.768 54 HH22 ARG 15 HH12 ARG 15 -11.632 6.829 10.722 55 H VAL 16 H VAL 16 -15.590 13.756 16.151 56 HA VAL 16 HA VAL 16 -15.053 14.870 13.562 57 HB VAL 16 HB VAL 16 -17.138 16.042 13.799 58 HG11 VAL 16 HG11 VAL 16 -18.635 14.168 14.371 59 HG12 VAL 16 HG12 VAL 16 -17.291 13.329 15.144 60 HG13 VAL 16 HG13 VAL 16 -17.269 13.614 13.405 61 HG21 VAL 16 HG21 VAL 16 -18.344 15.803 16.087 62 HG22 VAL 16 HG22 VAL 16 -17.066 17.009 15.947 63 HG23 VAL 16 HG23 VAL 16 -16.737 15.468 16.732 64 H THR 17 H THR 17 -14.064 15.677 16.681 65 HA THR 17 HA THR 17 -13.803 18.548 16.194 66 HB THR 17 HB THR 17 -12.823 16.878 18.522 67 HG1 THR 17 HG1 THR 17 -15.279 17.502 17.772 68 HG21 THR 17 HG21 THR 17 -12.855 19.089 19.677 69 HG22 THR 17 HG22 THR 17 -13.262 19.855 18.141 70 HG23 THR 17 HG23 THR 17 -11.708 19.044 18.337 71 H GLU 18 H GLU 18 -11.473 16.134 17.388 72 HA GLU 18 HA GLU 18 -9.157 17.459 16.849 73 HB2 GLU 18 HB2 GLU 18 -9.594 14.485 16.485 74 HB3 GLU 18 HB3 GLU 18 -8.045 15.280 16.762 75 HG2 GLU 18 HG2 GLU 18 -10.400 15.425 18.665 76 HG3 GLU 18 HG3 GLU 18 -9.044 14.314 18.847 77 H ILE 19 H ILE 19 -11.186 15.781 14.522 78 HA ILE 19 HA ILE 19 -9.433 15.447 12.406 79 HB ILE 19 HB ILE 19 -11.844 14.724 12.497 80 HG12 ILE 19 HG12 ILE 19 -11.058 16.277 10.015 81 HG13 ILE 19 HG13 ILE 19 -10.434 14.680 10.424 82 HG21 ILE 19 HG21 ILE 19 -12.467 17.481 11.430 83 HG22 ILE 19 HG22 ILE 19 -12.590 17.110 13.149 84 HG23 ILE 19 HG23 ILE 19 -13.588 16.237 11.986 85 HD11 ILE 19 HD11 ILE 19 -12.803 13.844 10.494 86 HD12 ILE 19 HD12 ILE 19 -12.299 14.399 8.897 87 HD13 ILE 19 HD13 ILE 19 -13.327 15.421 9.902 88 H PHE 20 H PHE 20 -11.211 18.366 13.354 89 HA PHE 20 HA PHE 20 -10.277 19.929 11.142 90 HB2 PHE 20 HB2 PHE 20 -11.594 20.638 13.768 91 HB3 PHE 20 HB3 PHE 20 -11.128 21.853 12.580 92 HD1 PHE 20 HD1 PHE 20 -11.903 21.374 10.103 93 HD2 PHE 20 HD2 PHE 20 -13.734 19.670 13.595 94 HE1 PHE 20 HE1 PHE 20 -13.975 20.948 8.809 95 HE2 PHE 20 HE2 PHE 20 -15.806 19.245 12.301 96 HZ PHE 20 HZ PHE 20 -15.926 19.883 9.908 97 H LYS 21 H LYS 21 -9.418 19.819 14.604 98 HA LYS 21 HA LYS 21 -7.540 21.795 14.736 99 HB2 LYS 21 HB2 LYS 21 -8.239 20.374 16.651 100 HB3 LYS 21 HB3 LYS 21 -7.249 19.063 16.009 101 HG2 LYS 21 HG2 LYS 21 -5.235 20.401 16.235 102 HG3 LYS 21 HG3 LYS 21 -6.180 21.813 16.708 103 HD2 LYS 21 HD2 LYS 21 -6.951 20.630 18.728 104 HD3 LYS 21 HD3 LYS 21 -6.026 19.206 18.253 105 HE2 LYS 21 HE2 LYS 21 -3.955 20.653 18.271 106 HE3 LYS 21 HE3 LYS 21 -4.935 21.941 18.969 107 HZ1 LYS 21 HZ1 LYS 21 -4.529 21.026 20.932 108 HZ2 LYS 21 HZ2 LYS 21 -3.810 19.657 20.231 109 HZ3 LYS 21 HZ3 LYS 21 -5.491 19.706 20.466 110 H ALA 22 H ALA 22 -7.271 18.759 13.065 111 HA ALA 22 HA ALA 22 -4.440 18.662 12.856 112 HB1 ALA 22 HB1 ALA 22 -6.597 17.468 11.099 113 HB2 ALA 22 HB2 ALA 22 -5.776 16.678 12.445 114 HB3 ALA 22 HB3 ALA 22 -4.881 17.081 10.980 115 H LEU 23 H LEU 23 -6.921 20.351 11.078 116 HA LEU 23 HA LEU 23 -5.142 21.076 8.883 117 HB2 LEU 23 HB2 LEU 23 -7.876 22.224 9.441 118 HB3 LEU 23 HB3 LEU 23 -7.037 22.087 7.896 119 HG LEU 23 HG LEU 23 -8.096 19.793 9.575 120 HD11 LEU 23 HD11 LEU 23 -9.795 21.120 8.312 121 HD12 LEU 23 HD12 LEU 23 -9.649 19.463 7.725 122 HD13 LEU 23 HD13 LEU 23 -8.905 20.785 6.826 123 HD21 LEU 23 HD21 LEU 23 -6.437 19.885 7.050 124 HD22 LEU 23 HD22 LEU 23 -7.431 18.486 7.456 125 HD23 LEU 23 HD23 LEU 23 -6.124 18.979 8.530 126 H GLY 24 H GLY 24 -5.648 22.133 12.011 127 HA2 GLY 24 HA2 GLY 24 -5.803 24.842 12.068 128 HA3 GLY 24 HA3 GLY 24 -4.730 23.939 13.133 129 H ASP 25 H ASP 25 -2.630 23.196 11.917 130 HA ASP 25 HA ASP 25 -1.008 25.340 11.468 131 HB2 ASP 25 HB2 ASP 25 -0.775 22.656 10.088 132 HB3 ASP 25 HB3 ASP 25 0.530 23.818 10.321 133 H TYR 26 H TYR 26 -1.320 26.986 10.117 134 HA TYR 26 HA TYR 26 -2.815 26.887 7.734 135 HB2 TYR 26 HB2 TYR 26 -1.833 29.127 7.294 136 HB3 TYR 26 HB3 TYR 26 -2.468 28.975 8.932 137 HD1 TYR 26 HD1 TYR 26 -0.917 28.622 10.853 138 HD2 TYR 26 HD2 TYR 26 0.519 29.406 6.881 139 HE1 TYR 26 HE1 TYR 26 1.319 29.175 11.771 140 HE2 TYR 26 HE2 TYR 26 2.756 29.955 7.799 141 HH TYR 26 HH TYR 26 3.721 30.725 9.949 142 H ASN 27 H ASN 27 0.423 25.980 8.412 143 HA ASN 27 HA ASN 27 1.459 26.380 5.756 144 HB2 ASN 27 HB2 ASN 27 2.549 24.646 7.983 145 HB3 ASN 27 HB3 ASN 27 3.429 25.220 6.569 146 HD21 ASN 27 HD21 ASN 27 4.173 27.425 6.568 147 HD22 ASN 27 HD22 ASN 27 4.039 28.430 7.929 148 H ARG 28 H ARG 28 0.113 23.672 7.583 149 HA ARG 28 HA ARG 28 0.717 21.697 5.606 150 HB2 ARG 28 HB2 ARG 28 -1.273 21.684 7.887 151 HB3 ARG 28 HB3 ARG 28 -0.840 20.274 6.920 152 HG2 ARG 28 HG2 ARG 28 1.570 20.683 7.579 153 HG3 ARG 28 HG3 ARG 28 0.982 21.901 8.711 154 HD2 ARG 28 HD2 ARG 28 -0.403 20.206 9.833 155 HD3 ARG 28 HD3 ARG 28 0.153 18.985 8.692 156 HE ARG 28 HE ARG 28 2.455 20.018 9.804 157 HH11 ARG 28 HH21 ARG 28 -0.461 18.524 10.915 158 HH12 ARG 28 HH22 ARG 28 0.267 17.828 12.324 159 HH21 ARG 28 HH11 ARG 28 3.421 19.104 11.648 160 HH22 ARG 28 HH12 ARG 28 2.466 18.150 12.734 161 H ILE 29 H ILE 29 -2.299 23.367 6.525 162 HA ILE 29 HA ILE 29 -3.994 22.171 4.671 163 HB ILE 29 HB ILE 29 -4.697 23.694 6.528 164 HG12 ILE 29 HG12 ILE 29 -6.504 24.832 5.238 165 HG13 ILE 29 HG13 ILE 29 -5.669 24.417 3.746 166 HG21 ILE 29 HG21 ILE 29 -2.902 25.414 5.917 167 HG22 ILE 29 HG22 ILE 29 -4.494 26.061 6.315 168 HG23 ILE 29 HG23 ILE 29 -3.988 25.938 4.631 169 HD11 ILE 29 HD11 ILE 29 -6.204 22.171 3.910 170 HD12 ILE 29 HD12 ILE 29 -7.608 22.880 4.701 171 HD13 ILE 29 HD13 ILE 29 -6.304 22.202 5.672 172 H ARG 30 H ARG 30 -1.580 24.660 4.223 173 HA ARG 30 HA ARG 30 -2.505 25.618 1.705 174 HB2 ARG 30 HB2 ARG 30 -0.878 26.809 3.208 175 HB3 ARG 30 HB3 ARG 30 0.337 25.616 2.748 176 HG2 ARG 30 HG2 ARG 30 0.044 26.243 0.373 177 HG3 ARG 30 HG3 ARG 30 -1.153 27.449 0.844 178 HD2 ARG 30 HD2 ARG 30 1.104 28.442 0.506 179 HD3 ARG 30 HD3 ARG 30 0.523 28.648 2.156 180 HE ARG 30 HE ARG 30 1.982 26.298 2.176 181 HH11 ARG 30 HH21 ARG 30 2.491 29.627 1.380 182 HH12 ARG 30 HH22 ARG 30 4.170 29.616 1.803 183 HH21 ARG 30 HH11 ARG 30 4.186 26.273 2.724 184 HH22 ARG 30 HH12 ARG 30 5.131 27.715 2.560 185 H ILE 31 H ILE 31 -0.602 22.871 2.707 186 HA ILE 31 HA ILE 31 0.464 22.299 0.091 187 HB ILE 31 HB ILE 31 0.212 20.510 2.523 188 HG12 ILE 31 HG12 ILE 31 2.601 22.088 1.525 189 HG13 ILE 31 HG13 ILE 31 1.540 22.645 2.818 190 HG21 ILE 31 HG21 ILE 31 1.817 20.304 -0.042 191 HG22 ILE 31 HG22 ILE 31 0.554 19.202 0.510 192 HG23 ILE 31 HG23 ILE 31 2.090 19.288 1.374 193 HD11 ILE 31 HD11 ILE 31 3.202 20.108 2.803 194 HD12 ILE 31 HD12 ILE 31 2.026 20.516 4.054 195 HD13 ILE 31 HD13 ILE 31 3.451 21.528 3.820 196 H MET 32 H MET 32 -2.377 21.397 1.943 197 HA MET 32 HA MET 32 -3.227 19.232 0.319 198 HB2 MET 32 HB2 MET 32 -4.925 21.132 1.955 199 HB3 MET 32 HB3 MET 32 -5.392 19.526 1.397 200 HG2 MET 32 HG2 MET 32 -3.675 18.490 2.764 201 HG3 MET 32 HG3 MET 32 -3.027 20.067 3.216 202 HE1 MET 32 HE1 MET 32 -3.569 17.922 5.122 203 HE2 MET 32 HE2 MET 32 -4.648 18.463 6.408 204 HE3 MET 32 HE3 MET 32 -3.285 19.470 5.919 205 H GLU 33 H GLU 33 -3.677 22.716 0.133 206 HA GLU 33 HA GLU 33 -5.704 22.787 -1.821 207 HB2 GLU 33 HB2 GLU 33 -3.479 24.733 -1.181 208 HB3 GLU 33 HB3 GLU 33 -4.781 25.080 -2.319 209 HG2 GLU 33 HG2 GLU 33 -6.448 24.783 -0.569 210 HG3 GLU 33 HG3 GLU 33 -5.204 24.283 0.576 211 H LEU 34 H LEU 34 -2.184 22.580 -2.086 212 HA LEU 34 HA LEU 34 -2.044 22.919 -4.893 213 HB2 LEU 34 HB2 LEU 34 -0.057 23.203 -3.579 214 HB3 LEU 34 HB3 LEU 34 -0.195 21.580 -2.910 215 HG LEU 34 HG LEU 34 0.321 20.574 -5.036 216 HD11 LEU 34 HD11 LEU 34 -0.831 21.908 -6.622 217 HD12 LEU 34 HD12 LEU 34 0.871 22.170 -6.993 218 HD13 LEU 34 HD13 LEU 34 -0.031 23.385 -6.086 219 HD21 LEU 34 HD21 LEU 34 2.112 22.950 -4.454 220 HD22 LEU 34 HD22 LEU 34 2.558 21.602 -5.500 221 HD23 LEU 34 HD23 LEU 34 2.263 21.326 -3.783 222 H LEU 35 H LEU 35 -1.759 19.930 -2.950 223 HA LEU 35 HA LEU 35 -1.769 18.121 -5.068 224 HB2 LEU 35 HB2 LEU 35 -3.056 17.626 -2.377 225 HB3 LEU 35 HB3 LEU 35 -2.360 16.430 -3.468 226 HG LEU 35 HG LEU 35 -0.808 18.653 -2.110 227 HD11 LEU 35 HD11 LEU 35 -1.690 16.830 -0.603 228 HD12 LEU 35 HD12 LEU 35 0.070 16.943 -0.654 229 HD13 LEU 35 HD13 LEU 35 -0.760 15.676 -1.559 230 HD21 LEU 35 HD21 LEU 35 0.354 18.132 -4.101 231 HD22 LEU 35 HD22 LEU 35 -0.054 16.420 -3.997 232 HD23 LEU 35 HD23 LEU 35 1.130 17.116 -2.892 233 H SER 36 H SER 36 -4.341 20.045 -3.834 234 HA SER 36 HA SER 36 -6.520 18.411 -4.695 235 HB2 SER 36 HB2 SER 36 -6.601 20.358 -3.033 236 HB3 SER 36 HB3 SER 36 -6.581 21.417 -4.442 237 HG SER 36 HG SER 36 -8.359 19.699 -5.055 238 H VAL 37 H VAL 37 -4.743 21.116 -6.152 239 HA VAL 37 HA VAL 37 -6.323 21.102 -8.560 240 HB VAL 37 HB VAL 37 -3.610 22.358 -8.083 241 HG11 VAL 37 HG11 VAL 37 -5.823 22.828 -10.099 242 HG12 VAL 37 HG12 VAL 37 -4.178 22.287 -10.431 243 HG13 VAL 37 HG13 VAL 37 -4.468 23.931 -9.861 244 HG21 VAL 37 HG21 VAL 37 -6.401 23.465 -7.649 245 HG22 VAL 37 HG22 VAL 37 -4.910 24.401 -7.540 246 HG23 VAL 37 HG23 VAL 37 -5.224 23.104 -6.387 247 H SER 38 H SER 38 -3.384 19.572 -7.445 248 HA SER 38 HA SER 38 -3.420 17.643 -9.524 249 HB2 SER 38 HB2 SER 38 -1.314 18.293 -10.661 250 HB3 SER 38 HB3 SER 38 -2.597 19.475 -10.910 251 HG SER 38 HG SER 38 -1.029 20.754 -10.252 252 H GLU 39 H GLU 39 -2.411 15.876 -8.795 253 HA GLU 39 HA GLU 39 -1.052 15.924 -6.273 254 HB2 GLU 39 HB2 GLU 39 -0.912 13.553 -6.477 255 HB3 GLU 39 HB3 GLU 39 -2.474 14.022 -7.138 256 HG2 GLU 39 HG2 GLU 39 0.027 13.278 -8.676 257 HG3 GLU 39 HG3 GLU 39 -1.515 12.429 -8.658 258 H ALA 40 H ALA 40 1.126 15.225 -5.874 259 HA ALA 40 HA ALA 40 3.013 15.146 -8.081 260 HB1 ALA 40 HB1 ALA 40 4.342 17.064 -7.110 261 HB2 ALA 40 HB2 ALA 40 2.924 17.464 -6.142 262 HB3 ALA 40 HB3 ALA 40 2.837 17.529 -7.902 263 H SER 41 H SER 41 5.356 15.348 -6.964 264 HA SER 41 HA SER 41 5.397 13.275 -4.871 265 HB2 SER 41 HB2 SER 41 7.719 14.424 -6.428 266 HB3 SER 41 HB3 SER 41 7.684 12.933 -5.487 267 HG SER 41 HG SER 41 7.138 12.058 -7.310 268 H VAL 42 H VAL 42 6.762 13.532 -3.019 269 HA VAL 42 HA VAL 42 6.375 15.822 -1.561 270 HB VAL 42 HB VAL 42 8.345 15.052 -0.166 271 HG11 VAL 42 HG11 VAL 42 6.105 13.184 -0.967 272 HG12 VAL 42 HG12 VAL 42 6.172 14.264 0.426 273 HG13 VAL 42 HG13 VAL 42 7.196 12.830 0.372 274 HG21 VAL 42 HG21 VAL 42 9.688 14.046 -1.945 275 HG22 VAL 42 HG22 VAL 42 8.395 12.901 -2.306 276 HG23 VAL 42 HG23 VAL 42 9.251 12.811 -0.766 277 H GLY 43 H GLY 43 9.186 15.042 -3.587 278 HA2 GLY 43 HA2 GLY 43 10.756 17.244 -2.839 279 HA3 GLY 43 HA3 GLY 43 10.944 16.318 -4.320 280 H HIS 44 H HIS 44 8.467 16.883 -5.546 281 HA HIS 44 HA HIS 44 9.138 19.353 -6.761 282 HB2 HIS 44 HB2 HIS 44 8.032 17.463 -7.934 283 HB3 HIS 44 HB3 HIS 44 6.565 17.785 -7.011 284 HD1 HIS 44 HD1 HIS 44 5.194 19.881 -7.627 285 HD2 HIS 44 HD2 HIS 44 8.653 19.442 -9.913 286 HE1 HIS 44 HE1 HIS 44 5.010 21.543 -9.527 287 HE2 HIS 44 HE2 HIS 44 7.111 21.290 -10.931 288 H ILE 45 H ILE 45 6.747 18.470 -4.340 289 HA ILE 45 HA ILE 45 5.367 21.000 -4.463 290 HB ILE 45 HB ILE 45 4.299 20.283 -2.338 291 HG12 ILE 45 HG12 ILE 45 6.045 17.835 -2.687 292 HG13 ILE 45 HG13 ILE 45 6.272 19.058 -1.438 293 HG21 ILE 45 HG21 ILE 45 4.380 18.034 -4.364 294 HG22 ILE 45 HG22 ILE 45 3.528 19.551 -4.648 295 HG23 ILE 45 HG23 ILE 45 3.033 18.497 -3.324 296 HD11 ILE 45 HD11 ILE 45 3.959 17.141 -1.781 297 HD12 ILE 45 HD12 ILE 45 3.833 18.580 -0.767 298 HD13 ILE 45 HD13 ILE 45 5.017 17.331 -0.383 299 H SER 46 H SER 46 8.321 19.977 -3.210 300 HA SER 46 HA SER 46 8.625 21.532 -0.893 301 HB2 SER 46 HB2 SER 46 10.236 19.790 -1.751 302 HB3 SER 46 HB3 SER 46 10.777 20.970 -2.944 303 HG SER 46 HG SER 46 11.941 20.843 -0.848 304 H HIS 47 H HIS 47 8.207 22.477 -4.139 305 HA HIS 47 HA HIS 47 9.680 24.880 -4.236 306 HB2 HIS 47 HB2 HIS 47 7.063 24.137 -5.570 307 HB3 HIS 47 HB3 HIS 47 8.027 25.555 -5.977 308 HD1 HIS 47 HD1 HIS 47 10.514 23.238 -5.186 309 HD2 HIS 47 HD2 HIS 47 7.928 23.561 -8.440 310 HE1 HIS 47 HE1 HIS 47 11.560 21.903 -7.065 311 HE2 HIS 47 HE2 HIS 47 9.996 22.088 -9.057 312 H GLN 48 H GLN 48 7.150 23.975 -2.250 313 HA GLN 48 HA GLN 48 6.116 26.713 -1.840 314 HB2 GLN 48 HB2 GLN 48 5.204 23.989 -0.907 315 HB3 GLN 48 HB3 GLN 48 4.547 25.485 -0.245 316 HG2 GLN 48 HG2 GLN 48 3.133 24.682 -2.079 317 HG3 GLN 48 HG3 GLN 48 3.905 26.203 -2.524 318 HE21 GLN 48 HE21 GLN 48 4.049 22.674 -3.044 319 HE22 GLN 48 HE22 GLN 48 4.946 22.763 -4.482 320 H LEU 49 H LEU 49 7.279 23.975 0.142 321 HA LEU 49 HA LEU 49 7.815 25.729 2.386 322 HB2 LEU 49 HB2 LEU 49 8.137 22.770 1.887 323 HB3 LEU 49 HB3 LEU 49 8.757 23.529 3.352 324 HG LEU 49 HG LEU 49 6.490 24.410 3.835 325 HD11 LEU 49 HD11 LEU 49 5.434 24.598 1.734 326 HD12 LEU 49 HD12 LEU 49 4.612 23.233 2.483 327 HD13 LEU 49 HD13 LEU 49 5.858 22.951 1.268 328 HD21 LEU 49 HD21 LEU 49 7.305 22.200 4.705 329 HD22 LEU 49 HD22 LEU 49 6.498 21.417 3.347 330 HD23 LEU 49 HD23 LEU 49 5.551 22.289 4.552 331 H ASN 50 H ASN 50 9.675 23.962 -0.039 332 HA ASN 50 HA ASN 50 11.934 23.850 -0.463 333 HB2 ASN 50 HB2 ASN 50 13.002 26.023 -0.743 334 HB3 ASN 50 HB3 ASN 50 11.352 26.076 -1.355 335 HD21 ASN 50 HD21 ASN 50 9.729 27.231 -0.027 336 HD22 ASN 50 HD22 ASN 50 10.226 28.363 1.137 337 H LEU 51 H LEU 51 12.626 22.527 1.220 338 HA LEU 51 HA LEU 51 14.515 23.670 3.011 339 HB2 LEU 51 HB2 LEU 51 12.137 24.084 4.052 340 HB3 LEU 51 HB3 LEU 51 12.200 22.372 4.438 341 HG LEU 51 HG LEU 51 14.596 22.996 5.417 342 HD11 LEU 51 HD11 LEU 51 13.144 25.616 5.830 343 HD12 LEU 51 HD12 LEU 51 14.341 25.399 4.556 344 HD13 LEU 51 HD13 LEU 51 14.810 25.219 6.245 345 HD21 LEU 51 HD21 LEU 51 11.942 23.604 6.738 346 HD22 LEU 51 HD22 LEU 51 13.473 23.579 7.612 347 HD23 LEU 51 HD23 LEU 51 12.876 22.111 6.839 348 H SER 52 H SER 52 13.944 21.383 4.952 349 HA SER 52 HA SER 52 15.565 19.427 3.620 350 HB2 SER 52 HB2 SER 52 15.889 19.626 5.966 351 HB3 SER 52 HB3 SER 52 14.161 19.501 6.291 352 HG SER 52 HG SER 52 14.311 17.414 6.210 353 H GLN 53 H GLN 53 14.970 17.587 2.603 354 HA GLN 53 HA GLN 53 12.222 17.253 1.854 355 HB2 GLN 53 HB2 GLN 53 14.267 16.725 0.425 356 HB3 GLN 53 HB3 GLN 53 14.456 15.271 1.405 357 HG2 GLN 53 HG2 GLN 53 12.201 14.534 0.792 358 HG3 GLN 53 HG3 GLN 53 11.950 16.013 -0.134 359 HE21 GLN 53 HE21 GLN 53 11.734 13.546 -1.468 360 HE22 GLN 53 HE22 GLN 53 13.061 13.349 -2.508 361 H SER 54 H SER 54 14.181 16.092 4.418 362 HA SER 54 HA SER 54 12.649 13.683 4.918 363 HB2 SER 54 HB2 SER 54 14.058 13.408 6.843 364 HB3 SER 54 HB3 SER 54 15.082 13.974 5.525 365 HG SER 54 HG SER 54 14.467 16.158 6.462 366 H ASN 55 H ASN 55 12.541 17.027 5.819 367 HA ASN 55 HA ASN 55 10.955 16.704 8.181 368 HB2 ASN 55 HB2 ASN 55 12.388 18.704 7.651 369 HB3 ASN 55 HB3 ASN 55 11.194 19.164 6.438 370 HD21 ASN 55 HD21 ASN 55 11.950 20.499 9.081 371 HD22 ASN 55 HD22 ASN 55 10.481 20.643 9.918 372 H VAL 56 H VAL 56 10.220 17.541 4.802 373 HA VAL 56 HA VAL 56 7.425 17.895 5.246 374 HB VAL 56 HB VAL 56 8.661 18.875 3.320 375 HG11 VAL 56 HG11 VAL 56 9.338 17.497 1.472 376 HG12 VAL 56 HG12 VAL 56 8.583 16.070 2.181 377 HG13 VAL 56 HG13 VAL 56 10.023 16.768 2.924 378 HG21 VAL 56 HG21 VAL 56 6.875 18.565 1.739 379 HG22 VAL 56 HG22 VAL 56 6.155 18.453 3.345 380 HG23 VAL 56 HG23 VAL 56 6.472 16.988 2.417 381 H SER 57 H SER 57 9.441 15.165 4.311 382 HA SER 57 HA SER 57 7.296 13.436 3.568 383 HB2 SER 57 HB2 SER 57 8.983 11.670 3.618 384 HB3 SER 57 HB3 SER 57 9.638 13.103 2.826 385 HG SER 57 HG SER 57 11.002 12.089 4.466 386 H HIS 58 H HIS 58 8.939 14.158 6.581 387 HA HIS 58 HA HIS 58 8.004 11.935 8.070 388 HB2 HIS 58 HB2 HIS 58 8.944 14.690 8.881 389 HB3 HIS 58 HB3 HIS 58 8.478 13.460 10.057 390 HD1 HIS 58 HD1 HIS 58 11.197 13.856 10.604 391 HD2 HIS 58 HD2 HIS 58 10.193 11.673 7.197 392 HE1 HIS 58 HE1 HIS 58 13.259 12.532 9.970 393 HE2 HIS 58 HE2 HIS 58 12.668 11.201 7.891 394 H GLN 59 H GLN 59 6.777 15.277 7.808 395 HA GLN 59 HA GLN 59 4.528 14.806 9.492 396 HB2 GLN 59 HB2 GLN 59 3.709 16.972 8.614 397 HB3 GLN 59 HB3 GLN 59 5.390 17.063 9.140 398 HG2 GLN 59 HG2 GLN 59 6.115 16.714 6.788 399 HG3 GLN 59 HG3 GLN 59 4.426 16.715 6.286 400 HE21 GLN 59 HE21 GLN 59 4.528 18.853 8.817 401 HE22 GLN 59 HE22 GLN 59 4.805 20.292 7.958 402 H LEU 60 H LEU 60 5.183 14.121 6.169 403 HA LEU 60 HA LEU 60 2.541 14.140 5.154 404 HB2 LEU 60 HB2 LEU 60 4.718 13.978 3.832 405 HB3 LEU 60 HB3 LEU 60 4.772 12.285 4.308 406 HG LEU 60 HG LEU 60 2.322 12.202 3.347 407 HD11 LEU 60 HD11 LEU 60 1.980 14.570 2.941 408 HD12 LEU 60 HD12 LEU 60 2.086 13.757 1.384 409 HD13 LEU 60 HD13 LEU 60 3.464 14.667 1.994 410 HD21 LEU 60 HD21 LEU 60 4.095 10.940 2.321 411 HD22 LEU 60 HD22 LEU 60 4.814 12.399 1.640 412 HD23 LEU 60 HD23 LEU 60 3.264 11.815 1.034 413 H LYS 61 H LYS 61 4.441 11.756 6.909 414 HA LYS 61 HA LYS 61 2.582 9.602 6.608 415 HB2 LYS 61 HB2 LYS 61 4.990 9.292 7.181 416 HB3 LYS 61 HB3 LYS 61 4.676 10.014 8.759 417 HG2 LYS 61 HG2 LYS 61 3.071 8.246 9.285 418 HG3 LYS 61 HG3 LYS 61 3.274 7.550 7.677 419 HD2 LYS 61 HD2 LYS 61 5.590 7.013 8.134 420 HD3 LYS 61 HD3 LYS 61 5.536 7.881 9.668 421 HE2 LYS 61 HE2 LYS 61 5.302 5.341 9.819 422 HE3 LYS 61 HE3 LYS 61 4.047 6.277 10.631 423 HZ1 LYS 61 HZ1 LYS 61 3.128 4.473 9.291 424 HZ2 LYS 61 HZ2 LYS 61 3.835 5.138 7.897 425 HZ3 LYS 61 HZ3 LYS 61 2.620 5.991 8.724 426 H LEU 62 H LEU 62 3.093 12.148 9.002 427 HA LEU 62 HA LEU 62 1.482 11.280 11.067 428 HB2 LEU 62 HB2 LEU 62 2.900 13.482 10.696 429 HB3 LEU 62 HB3 LEU 62 1.357 14.165 10.204 430 HG LEU 62 HG LEU 62 1.996 12.859 12.865 431 HD11 LEU 62 HD11 LEU 62 2.873 15.105 12.717 432 HD12 LEU 62 HD12 LEU 62 1.409 15.168 13.697 433 HD13 LEU 62 HD13 LEU 62 1.368 15.699 12.016 434 HD21 LEU 62 HD21 LEU 62 -0.250 12.264 12.469 435 HD22 LEU 62 HD22 LEU 62 -0.605 13.778 11.636 436 HD23 LEU 62 HD23 LEU 62 -0.386 13.760 13.386 437 H LEU 63 H LEU 63 0.482 13.178 8.217 438 HA LEU 63 HA LEU 63 -2.270 13.240 8.854 439 HB2 LEU 63 HB2 LEU 63 -1.163 13.305 6.051 440 HB3 LEU 63 HB3 LEU 63 -2.604 14.105 6.676 441 HG LEU 63 HG LEU 63 0.278 14.758 7.354 442 HD11 LEU 63 HD11 LEU 63 -1.890 16.470 6.110 443 HD12 LEU 63 HD12 LEU 63 -0.692 15.582 5.168 444 HD13 LEU 63 HD13 LEU 63 -0.178 16.862 6.266 445 HD21 LEU 63 HD21 LEU 63 -0.874 16.668 8.648 446 HD22 LEU 63 HD22 LEU 63 -0.911 15.070 9.389 447 HD23 LEU 63 HD23 LEU 63 -2.337 15.687 8.554 448 H LYS 64 H LYS 64 -0.283 10.725 7.577 449 HA LYS 64 HA LYS 64 -2.308 9.301 6.166 450 HB2 LYS 64 HB2 LYS 64 0.250 9.014 6.013 451 HB3 LYS 64 HB3 LYS 64 0.100 8.024 7.463 452 HG2 LYS 64 HG2 LYS 64 -1.485 6.543 6.317 453 HG3 LYS 64 HG3 LYS 64 -1.391 7.544 4.868 454 HD2 LYS 64 HD2 LYS 64 1.113 7.109 4.867 455 HD3 LYS 64 HD3 LYS 64 0.823 5.903 6.121 456 HE2 LYS 64 HE2 LYS 64 -0.657 4.656 4.642 457 HE3 LYS 64 HE3 LYS 64 -0.523 5.905 3.404 458 HZ1 LYS 64 HZ1 LYS 64 2.060 5.244 4.016 459 HZ2 LYS 64 HZ2 LYS 64 1.200 4.763 2.633 460 HZ3 LYS 64 HZ3 LYS 64 1.249 3.752 3.997 461 H SER 65 H SER 65 -1.730 9.809 9.471 462 HA SER 65 HA SER 65 -2.755 7.325 10.475 463 HB2 SER 65 HB2 SER 65 -2.552 8.286 12.607 464 HB3 SER 65 HB3 SER 65 -1.282 9.088 11.684 465 HG SER 65 HG SER 65 -3.701 10.071 12.645 466 H VAL 66 H VAL 66 -4.118 10.617 10.240 467 HA VAL 66 HA VAL 66 -6.727 9.843 11.083 468 HB VAL 66 HB VAL 66 -7.363 12.088 10.049 469 HG11 VAL 66 HG11 VAL 66 -5.087 11.926 12.048 470 HG12 VAL 66 HG12 VAL 66 -6.812 11.886 12.417 471 HG13 VAL 66 HG13 VAL 66 -6.080 13.359 11.779 472 HG21 VAL 66 HG21 VAL 66 -5.624 13.503 9.226 473 HG22 VAL 66 HG22 VAL 66 -5.410 11.959 8.402 474 HG23 VAL 66 HG23 VAL 66 -4.367 12.386 9.758 475 H HIS 67 H HIS 67 -5.164 8.773 8.503 476 HA HIS 67 HA HIS 67 -5.775 7.831 6.503 477 HB2 HIS 67 HB2 HIS 67 -7.484 6.796 8.038 478 HB3 HIS 67 HB3 HIS 67 -8.602 8.070 7.551 479 HD1 HIS 67 HD1 HIS 67 -6.200 5.887 5.532 480 HD2 HIS 67 HD2 HIS 67 -10.223 6.982 5.604 481 HE1 HIS 67 HE1 HIS 67 -7.284 4.761 3.540 482 HE2 HIS 67 HE2 HIS 67 -9.737 5.417 3.569 483 H LEU 68 H LEU 68 -6.081 10.905 7.075 484 HA LEU 68 HA LEU 68 -8.028 11.757 5.147 485 HB2 LEU 68 HB2 LEU 68 -7.082 13.057 7.181 486 HB3 LEU 68 HB3 LEU 68 -5.722 13.427 6.132 487 HG LEU 68 HG LEU 68 -7.592 14.182 4.427 488 HD11 LEU 68 HD11 LEU 68 -9.554 13.435 5.638 489 HD12 LEU 68 HD12 LEU 68 -9.540 15.194 5.650 490 HD13 LEU 68 HD13 LEU 68 -9.046 14.303 7.086 491 HD21 LEU 68 HD21 LEU 68 -7.533 16.454 5.363 492 HD22 LEU 68 HD22 LEU 68 -5.945 15.693 5.473 493 HD23 LEU 68 HD23 LEU 68 -6.967 15.812 6.905 494 H VAL 69 H VAL 69 -4.930 10.464 4.909 495 HA VAL 69 HA VAL 69 -4.727 11.267 2.069 496 HB VAL 69 HB VAL 69 -2.419 11.256 4.032 497 HG11 VAL 69 HG11 VAL 69 -2.668 11.811 1.068 498 HG12 VAL 69 HG12 VAL 69 -1.632 10.626 1.864 499 HG13 VAL 69 HG13 VAL 69 -1.282 12.347 2.020 500 HG21 VAL 69 HG21 VAL 69 -2.400 13.698 3.659 501 HG22 VAL 69 HG22 VAL 69 -3.930 13.182 4.368 502 HG23 VAL 69 HG23 VAL 69 -3.838 13.555 2.647 503 H LYS 70 H LYS 70 -3.441 9.809 0.797 504 HA LYS 70 HA LYS 70 -2.828 7.180 1.979 505 HB2 LYS 70 HB2 LYS 70 -5.150 7.027 1.169 506 HB3 LYS 70 HB3 LYS 70 -4.633 7.587 -0.421 507 HG2 LYS 70 HG2 LYS 70 -3.263 5.630 -0.746 508 HG3 LYS 70 HG3 LYS 70 -3.502 5.120 0.927 509 HD2 LYS 70 HD2 LYS 70 -5.809 4.630 0.546 510 HD3 LYS 70 HD3 LYS 70 -5.800 5.455 -1.011 511 HE2 LYS 70 HE2 LYS 70 -5.694 2.907 -1.108 512 HE3 LYS 70 HE3 LYS 70 -4.439 3.759 -2.007 513 HZ1 LYS 70 HZ1 LYS 70 -4.131 2.697 0.749 514 HZ2 LYS 70 HZ2 LYS 70 -2.923 3.436 -0.186 515 HZ3 LYS 70 HZ3 LYS 70 -3.560 1.932 -0.654 516 H ALA 71 H ALA 71 -1.064 6.270 1.114 517 HA ALA 71 HA ALA 71 0.299 7.689 -1.096 518 HB1 ALA 71 HB1 ALA 71 1.357 5.745 0.971 519 HB2 ALA 71 HB2 ALA 71 1.535 7.499 1.016 520 HB3 ALA 71 HB3 ALA 71 2.320 6.565 -0.258 521 H LYS 72 H LYS 72 1.013 6.632 -2.895 522 HA LYS 72 HA LYS 72 0.272 3.776 -3.247 523 HB2 LYS 72 HB2 LYS 72 -1.341 5.174 -4.441 524 HB3 LYS 72 HB3 LYS 72 -0.027 6.038 -5.238 525 HG2 LYS 72 HG2 LYS 72 0.658 4.073 -6.429 526 HG3 LYS 72 HG3 LYS 72 -0.387 3.040 -5.454 527 HD2 LYS 72 HD2 LYS 72 -2.368 3.980 -6.427 528 HD3 LYS 72 HD3 LYS 72 -1.452 5.277 -7.194 529 HE2 LYS 72 HE2 LYS 72 -1.120 2.328 -7.824 530 HE3 LYS 72 HE3 LYS 72 -2.065 3.459 -8.794 531 HZ1 LYS 72 HZ1 LYS 72 0.056 3.341 -9.777 532 HZ2 LYS 72 HZ2 LYS 72 0.852 3.500 -8.285 533 HZ3 LYS 72 HZ3 LYS 72 0.017 4.821 -8.948 534 H ARG 73 H ARG 73 1.701 2.534 -4.390 535 HA ARG 73 HA ARG 73 4.408 3.617 -4.679 536 HB2 ARG 73 HB2 ARG 73 4.091 1.474 -3.515 537 HB3 ARG 73 HB3 ARG 73 3.345 0.795 -4.962 538 HG2 ARG 73 HG2 ARG 73 5.381 0.971 -6.206 539 HG3 ARG 73 HG3 ARG 73 6.130 1.978 -4.967 540 HD2 ARG 73 HD2 ARG 73 6.787 -0.518 -5.017 541 HD3 ARG 73 HD3 ARG 73 6.337 0.169 -3.459 542 HE ARG 73 HE ARG 73 3.978 -0.804 -4.396 543 HH11 ARG 73 HH21 ARG 73 7.171 -2.089 -4.060 544 HH12 ARG 73 HH22 ARG 73 6.640 -3.713 -3.783 545 HH21 ARG 73 HH11 ARG 73 3.270 -2.931 -4.031 546 HH22 ARG 73 HH12 ARG 73 4.429 -4.190 -3.762 547 H GLN 74 H GLN 74 5.198 4.266 -6.574 548 HA GLN 74 HA GLN 74 4.374 2.964 -9.065 549 HB2 GLN 74 HB2 GLN 74 2.846 4.972 -8.597 550 HB3 GLN 74 HB3 GLN 74 4.275 5.976 -8.829 551 HG2 GLN 74 HG2 GLN 74 3.308 3.961 -10.878 552 HG3 GLN 74 HG3 GLN 74 2.854 5.661 -10.897 553 HE21 GLN 74 HE21 GLN 74 4.809 3.767 -12.570 554 HE22 GLN 74 HE22 GLN 74 6.168 4.767 -12.763 555 H GLY 75 H GLY 75 6.503 2.185 -9.116 556 HA2 GLY 75 HA2 GLY 75 8.660 2.278 -9.972 557 HA3 GLY 75 HA3 GLY 75 8.429 3.999 -10.274 558 H GLN 76 H GLN 76 10.828 3.459 -9.356 559 HA GLN 76 HA GLN 76 11.327 3.095 -6.660 560 HB2 GLN 76 HB2 GLN 76 13.332 4.616 -7.057 561 HB3 GLN 76 HB3 GLN 76 13.187 3.233 -8.143 562 HG2 GLN 76 HG2 GLN 76 12.144 4.662 -9.849 563 HG3 GLN 76 HG3 GLN 76 12.236 6.046 -8.761 564 HE21 GLN 76 HE21 GLN 76 13.704 5.068 -11.442 565 HE22 GLN 76 HE22 GLN 76 15.312 5.508 -11.122 566 H SER 77 H SER 77 9.725 5.697 -8.205 567 HA SER 77 HA SER 77 10.113 7.577 -5.992 568 HB2 SER 77 HB2 SER 77 8.391 7.876 -8.460 569 HB3 SER 77 HB3 SER 77 8.932 9.153 -7.370 570 HG SER 77 HG SER 77 10.944 8.987 -8.139 571 H MET 78 H MET 78 8.667 7.965 -4.432 572 HA MET 78 HA MET 78 6.204 6.353 -4.340 573 HB2 MET 78 HB2 MET 78 7.513 8.055 -2.206 574 HB3 MET 78 HB3 MET 78 6.154 6.954 -1.979 575 HG2 MET 78 HG2 MET 78 7.645 5.092 -2.826 576 HG3 MET 78 HG3 MET 78 8.990 6.231 -2.763 577 HE1 MET 78 HE1 MET 78 7.857 3.357 -1.156 578 HE2 MET 78 HE2 MET 78 8.873 3.505 0.276 579 HE3 MET 78 HE3 MET 78 9.556 3.808 -1.321 580 H ILE 79 H ILE 79 4.778 7.450 -5.653 581 HA ILE 79 HA ILE 79 4.427 10.313 -5.456 582 HB ILE 79 HB ILE 79 2.637 8.310 -6.846 583 HG12 ILE 79 HG12 ILE 79 5.085 9.760 -7.904 584 HG13 ILE 79 HG13 ILE 79 5.001 8.034 -7.552 585 HG21 ILE 79 HG21 ILE 79 1.774 10.634 -6.548 586 HG22 ILE 79 HG22 ILE 79 2.051 10.236 -8.240 587 HG23 ILE 79 HG23 ILE 79 3.209 11.244 -7.372 588 HD11 ILE 79 HD11 ILE 79 3.477 9.572 -9.664 589 HD12 ILE 79 HD12 ILE 79 3.030 7.938 -9.174 590 HD13 ILE 79 HD13 ILE 79 4.609 8.240 -9.901 591 H TYR 80 H TYR 80 2.588 11.388 -4.694 592 HA TYR 80 HA TYR 80 0.754 9.862 -2.929 593 HB2 TYR 80 HB2 TYR 80 1.950 12.564 -2.276 594 HB3 TYR 80 HB3 TYR 80 0.907 11.581 -1.249 595 HD1 TYR 80 HD1 TYR 80 1.739 9.449 -0.281 596 HD2 TYR 80 HD2 TYR 80 4.301 12.081 -2.509 597 HE1 TYR 80 HE1 TYR 80 3.730 8.291 0.638 598 HE2 TYR 80 HE2 TYR 80 6.291 10.920 -1.593 599 HH TYR 80 HH TYR 80 6.931 9.541 0.240 600 H SER 81 H SER 81 -1.334 10.715 -2.760 601 HA SER 81 HA SER 81 -2.066 13.136 -4.173 602 HB2 SER 81 HB2 SER 81 -3.525 12.061 -5.798 603 HB3 SER 81 HB3 SER 81 -1.880 11.465 -6.009 604 HG SER 81 HG SER 81 -2.975 9.908 -4.228 605 H LEU 82 H LEU 82 -4.713 12.878 -4.431 606 HA LEU 82 HA LEU 82 -5.696 13.109 -1.809 607 HB2 LEU 82 HB2 LEU 82 -7.403 12.430 -4.203 608 HB3 LEU 82 HB3 LEU 82 -7.843 13.378 -2.784 609 HG LEU 82 HG LEU 82 -5.884 14.157 -4.962 610 HD11 LEU 82 HD11 LEU 82 -7.470 15.950 -5.393 611 HD12 LEU 82 HD12 LEU 82 -8.453 15.459 -4.015 612 HD13 LEU 82 HD13 LEU 82 -8.332 14.413 -5.430 613 HD21 LEU 82 HD21 LEU 82 -5.846 16.348 -3.599 614 HD22 LEU 82 HD22 LEU 82 -4.915 14.995 -2.961 615 HD23 LEU 82 HD23 LEU 82 -6.489 15.387 -2.267 616 H ASP 83 H ASP 83 -8.191 11.532 -2.388 617 HA ASP 83 HA ASP 83 -7.555 8.766 -2.435 618 HB2 ASP 83 HB2 ASP 83 -8.022 8.279 -0.032 619 HB3 ASP 83 HB3 ASP 83 -6.522 9.171 -0.280 620 H ASP 84 H ASP 84 -9.696 11.403 -1.957 621 HA ASP 84 HA ASP 84 -11.950 9.815 -2.798 622 HB2 ASP 84 HB2 ASP 84 -11.805 10.914 0.012 623 HB3 ASP 84 HB3 ASP 84 -13.335 10.540 -0.781 624 H ILE 85 H ILE 85 -13.692 11.085 -3.503 625 HA ILE 85 HA ILE 85 -12.970 13.796 -4.231 626 HB ILE 85 HB ILE 85 -15.258 13.713 -5.355 627 HG12 ILE 85 HG12 ILE 85 -15.076 10.769 -4.687 628 HG13 ILE 85 HG13 ILE 85 -16.059 11.889 -3.744 629 HG21 ILE 85 HG21 ILE 85 -13.097 11.680 -5.957 630 HG22 ILE 85 HG22 ILE 85 -13.300 13.277 -6.673 631 HG23 ILE 85 HG23 ILE 85 -14.448 11.992 -7.048 632 HD11 ILE 85 HD11 ILE 85 -17.238 12.553 -5.846 633 HD12 ILE 85 HD12 ILE 85 -17.459 10.849 -5.447 634 HD13 ILE 85 HD13 ILE 85 -16.322 11.319 -6.711 635 H HIS 86 H HIS 86 -12.944 14.182 -1.727 636 HA HIS 86 HA HIS 86 -15.404 15.642 -1.094 637 HB2 HIS 86 HB2 HIS 86 -14.233 13.523 0.729 638 HB3 HIS 86 HB3 HIS 86 -15.489 14.672 1.189 639 HD1 HIS 86 HD1 HIS 86 -15.308 11.320 0.302 640 HD2 HIS 86 HD2 HIS 86 -17.637 14.458 -1.153 641 HE1 HIS 86 HE1 HIS 86 -17.287 10.259 -0.865 642 HE2 HIS 86 HE2 HIS 86 -18.719 12.158 -1.756 643 H VAL 87 H VAL 87 -12.025 14.963 -0.619 644 HA VAL 87 HA VAL 87 -11.556 16.872 1.447 645 HB VAL 87 HB VAL 87 -9.175 16.589 0.842 646 HG11 VAL 87 HG11 VAL 87 -9.088 14.127 1.232 647 HG12 VAL 87 HG12 VAL 87 -10.821 14.042 0.913 648 HG13 VAL 87 HG13 VAL 87 -10.225 14.940 2.308 649 HG21 VAL 87 HG21 VAL 87 -8.744 14.828 -0.986 650 HG22 VAL 87 HG22 VAL 87 -9.208 16.439 -1.530 651 HG23 VAL 87 HG23 VAL 87 -10.399 15.138 -1.511 652 H ALA 88 H ALA 88 -11.213 16.971 -2.092 653 HA ALA 88 HA ALA 88 -10.130 19.563 -2.268 654 HB1 ALA 88 HB1 ALA 88 -11.962 18.300 -4.312 655 HB2 ALA 88 HB2 ALA 88 -10.278 17.818 -4.112 656 HB3 ALA 88 HB3 ALA 88 -10.671 19.469 -4.591 657 H THR 89 H THR 89 -13.507 18.474 -2.624 658 HA THR 89 HA THR 89 -14.692 20.956 -3.033 659 HB THR 89 HB THR 89 -16.750 19.917 -2.504 660 HG1 THR 89 HG1 THR 89 -15.778 17.688 -1.271 661 HG21 THR 89 HG21 THR 89 -14.970 17.574 -3.205 662 HG22 THR 89 HG22 THR 89 -15.353 18.850 -4.361 663 HG23 THR 89 HG23 THR 89 -16.642 17.848 -3.694 664 H MET 90 H MET 90 -13.975 19.289 0.021 665 HA MET 90 HA MET 90 -15.217 20.902 1.850 666 HB2 MET 90 HB2 MET 90 -13.792 18.863 2.317 667 HB3 MET 90 HB3 MET 90 -12.381 19.915 2.195 668 HG2 MET 90 HG2 MET 90 -13.321 21.354 3.986 669 HG3 MET 90 HG3 MET 90 -14.695 20.257 4.127 670 HE1 MET 90 HE1 MET 90 -14.102 20.506 6.482 671 HE2 MET 90 HE2 MET 90 -13.129 19.317 7.347 672 HE3 MET 90 HE3 MET 90 -14.544 18.798 6.432 673 H LEU 91 H LEU 91 -12.019 21.475 0.386 674 HA LEU 91 HA LEU 91 -11.513 23.900 1.768 675 HB2 LEU 91 HB2 LEU 91 -10.422 23.185 -0.954 676 HB3 LEU 91 HB3 LEU 91 -9.670 24.181 0.291 677 HG LEU 91 HG LEU 91 -10.238 21.209 0.516 678 HD11 LEU 91 HD11 LEU 91 -7.766 21.013 0.454 679 HD12 LEU 91 HD12 LEU 91 -7.648 22.749 0.172 680 HD13 LEU 91 HD13 LEU 91 -8.403 21.710 -1.036 681 HD21 LEU 91 HD21 LEU 91 -10.360 22.095 2.713 682 HD22 LEU 91 HD22 LEU 91 -9.064 23.251 2.410 683 HD23 LEU 91 HD23 LEU 91 -8.698 21.533 2.566 684 H LYS 92 H LYS 92 -12.600 23.321 -1.585 685 HA LYS 92 HA LYS 92 -13.023 26.086 -2.128 686 HB2 LYS 92 HB2 LYS 92 -14.317 23.782 -3.588 687 HB3 LYS 92 HB3 LYS 92 -13.909 25.376 -4.218 688 HG2 LYS 92 HG2 LYS 92 -11.911 23.292 -3.282 689 HG3 LYS 92 HG3 LYS 92 -12.283 23.673 -4.962 690 HD2 LYS 92 HD2 LYS 92 -11.642 26.105 -4.357 691 HD3 LYS 92 HD3 LYS 92 -10.921 25.415 -2.903 692 HE2 LYS 92 HE2 LYS 92 -9.487 23.972 -4.260 693 HE3 LYS 92 HE3 LYS 92 -10.246 24.570 -5.735 694 HZ1 LYS 92 HZ1 LYS 92 -9.260 26.613 -5.529 695 HZ2 LYS 92 HZ2 LYS 92 -8.041 25.612 -4.900 696 HZ3 LYS 92 HZ3 LYS 92 -9.053 26.481 -3.849 697 H GLN 93 H GLN 93 -14.859 23.760 -0.428 698 HA GLN 93 HA GLN 93 -17.447 24.983 -0.939 699 HB2 GLN 93 HB2 GLN 93 -17.303 22.573 -0.521 700 HB3 GLN 93 HB3 GLN 93 -16.591 22.878 1.064 701 HG2 GLN 93 HG2 GLN 93 -18.597 23.891 1.875 702 HG3 GLN 93 HG3 GLN 93 -19.283 23.993 0.255 703 HE21 GLN 93 HE21 GLN 93 -20.745 22.351 -0.224 704 HE22 GLN 93 HE22 GLN 93 -20.770 20.823 0.517 705 H ALA 94 H ALA 94 -14.925 25.089 1.487 706 HA ALA 94 HA ALA 94 -16.455 26.444 3.488 707 HB1 ALA 94 HB1 ALA 94 -14.414 25.166 4.025 708 HB2 ALA 94 HB2 ALA 94 -14.289 26.839 4.568 709 HB3 ALA 94 HB3 ALA 94 -13.454 26.323 3.103 710 H ILE 95 H ILE 95 -13.885 27.572 1.281 711 HA ILE 95 HA ILE 95 -14.076 30.296 1.900 712 HB ILE 95 HB ILE 95 -12.228 29.265 0.592 713 HG12 ILE 95 HG12 ILE 95 -13.667 31.492 -0.884 714 HG13 ILE 95 HG13 ILE 95 -12.675 31.725 0.555 715 HG21 ILE 95 HG21 ILE 95 -12.529 28.667 -1.708 716 HG22 ILE 95 HG22 ILE 95 -14.155 29.349 -1.741 717 HG23 ILE 95 HG23 ILE 95 -13.835 27.878 -0.824 718 HD11 ILE 95 HD11 ILE 95 -11.777 30.701 -2.151 719 HD12 ILE 95 HD12 ILE 95 -10.770 30.622 -0.705 720 HD13 ILE 95 HD13 ILE 95 -11.272 32.186 -1.346 721 H HIS 96 H HIS 96 -16.094 28.266 -0.074 722 HA HIS 96 HA HIS 96 -17.292 30.302 -1.651 723 HB2 HIS 96 HB2 HIS 96 -17.407 27.862 -2.164 724 HB3 HIS 96 HB3 HIS 96 -18.506 27.662 -0.799 725 HD1 HIS 96 HD1 HIS 96 -20.914 27.843 -1.402 726 HD2 HIS 96 HD2 HIS 96 -18.516 29.990 -4.053 727 HE1 HIS 96 HE1 HIS 96 -22.469 28.815 -3.146 728 HE2 HIS 96 HE2 HIS 96 -21.026 30.126 -4.771 729 H HIS 97 H HIS 97 -17.918 29.077 1.581 730 HA HIS 97 HA HIS 97 -20.497 30.287 1.849 731 HB2 HIS 97 HB2 HIS 97 -19.802 28.393 3.258 732 HB3 HIS 97 HB3 HIS 97 -18.547 29.394 3.988 733 HD1 HIS 97 HD1 HIS 97 -22.294 29.008 3.811 734 HD2 HIS 97 HD2 HIS 97 -19.479 31.256 5.908 735 HE1 HIS 97 HE1 HIS 97 -23.557 30.188 5.659 736 HE2 HIS 97 HE2 HIS 97 -21.857 31.573 6.944 737 H ALA 98 H ALA 98 -17.367 31.107 3.373 738 HA ALA 98 HA ALA 98 -18.025 33.457 4.594 739 HB1 ALA 98 HB1 ALA 98 -15.679 34.152 4.289 740 HB2 ALA 98 HB2 ALA 98 -15.471 32.900 3.064 741 HB3 ALA 98 HB3 ALA 98 -15.791 32.450 4.738 742 H ASN 99 H ASN 99 -16.243 33.657 1.532 743 HA ASN 99 HA ASN 99 -17.547 36.194 0.924 744 HB2 ASN 99 HB2 ASN 99 -15.106 35.907 0.625 745 HB3 ASN 99 HB3 ASN 99 -15.418 34.678 -0.599 746 HD21 ASN 99 HD21 ASN 99 -17.099 37.813 -0.044 747 HD22 ASN 99 HD22 ASN 99 -16.784 38.422 -1.596 748 H HIS 100 H HIS 100 -19.647 34.828 0.732 749 HA HIS 100 HA HIS 100 -19.970 33.346 -1.712 750 HB2 HIS 100 HB2 HIS 100 -21.289 33.036 0.466 751 HB3 HIS 100 HB3 HIS 100 -22.209 34.453 -0.024 752 HD1 HIS 100 HD1 HIS 100 -24.001 32.232 0.090 753 HD2 HIS 100 HD2 HIS 100 -21.569 32.692 -3.268 754 HE1 HIS 100 HE1 HIS 100 -25.101 30.931 -1.778 755 HE2 HIS 100 HE2 HIS 100 -23.629 31.197 -3.828 756 HA PRO 101 HA PRO 101 -22.070 37.294 -3.220 757 HB2 PRO 101 HB2 PRO 101 -21.954 39.591 -1.859 758 HB3 PRO 101 HB3 PRO 101 -22.967 38.258 -1.273 759 HG2 PRO 101 HG2 PRO 101 -20.278 39.150 -0.322 760 HG3 PRO 101 HG3 PRO 101 -21.669 38.600 0.619 761 HD2 PRO 101 HD2 PRO 101 -19.462 37.000 -0.167 762 HD3 PRO 101 HD3 PRO 101 -21.007 36.389 0.455 763 H LYS 102 H LYS 102 -21.174 38.268 -4.965 764 HA LYS 102 HA LYS 102 -18.343 38.676 -5.119 765 HB2 LYS 102 HB2 LYS 102 -20.491 39.545 -7.068 766 HB3 LYS 102 HB3 LYS 102 -18.770 39.370 -7.407 767 HG2 LYS 102 HG2 LYS 102 -18.902 36.964 -6.929 768 HG3 LYS 102 HG3 LYS 102 -20.613 37.124 -6.534 769 HD2 LYS 102 HD2 LYS 102 -21.090 37.872 -8.825 770 HD3 LYS 102 HD3 LYS 102 -19.376 37.769 -9.228 771 HE2 LYS 102 HE2 LYS 102 -20.426 35.745 -10.019 772 HE3 LYS 102 HE3 LYS 102 -19.466 35.323 -8.601 773 HZ1 LYS 102 HZ1 LYS 102 -22.276 36.091 -8.241 774 HZ2 LYS 102 HZ2 LYS 102 -21.316 35.041 -7.313 775 HZ3 LYS 102 HZ3 LYS 102 -21.924 34.532 -8.816 776 H GLU 103 H GLU 103 -21.030 40.647 -4.246 777 HA GLU 103 HA GLU 103 -19.949 43.192 -4.921 778 HB2 GLU 103 HB2 GLU 103 -22.372 42.657 -4.349 779 HB3 GLU 103 HB3 GLU 103 -21.870 42.627 -2.658 780 HG2 GLU 103 HG2 GLU 103 -20.881 44.943 -3.041 781 HG3 GLU 103 HG3 GLU 103 -21.721 44.952 -4.589 782 H ASN 9 H ASN 9 -3.894 37.990 -1.392 783 HA ASN 9 HA ASN 9 -4.592 35.887 -1.244 784 HB2 ASN 9 HB2 ASN 9 -1.841 35.147 -2.274 785 HB3 ASN 9 HB3 ASN 9 -3.104 33.971 -1.917 786 HD21 ASN 9 HD21 ASN 9 -3.161 33.395 -4.249 787 HD22 ASN 9 HD22 ASN 9 -3.937 34.419 -5.358 788 H THR 10 H THR 10 -2.591 37.500 0.583 789 HA THR 10 HA THR 10 -1.663 35.400 2.388 790 HB THR 10 HB THR 10 -0.584 37.174 3.595 791 HG1 THR 10 HG1 THR 10 -2.628 38.579 2.700 792 HG21 THR 10 HG21 THR 10 -0.463 37.814 0.634 793 HG22 THR 10 HG22 THR 10 0.411 36.492 1.408 794 HG23 THR 10 HG23 THR 10 0.782 38.164 1.833 795 H ASP 11 H ASP 11 -4.117 37.935 2.258 796 HA ASP 11 HA ASP 11 -4.971 37.614 4.974 797 HB2 ASP 11 HB2 ASP 11 -6.897 39.000 4.269 798 HB3 ASP 11 HB3 ASP 11 -5.359 39.706 3.776 799 H THR 12 H THR 12 -5.918 36.240 1.877 800 HA THR 12 HA THR 12 -8.377 35.122 2.553 801 HB THR 12 HB THR 12 -6.340 33.748 0.798 802 HG1 THR 12 HG1 THR 12 -7.763 35.248 -0.704 803 HG21 THR 12 HG21 THR 12 -8.353 33.090 -0.455 804 HG22 THR 12 HG22 THR 12 -9.360 34.003 0.671 805 HG23 THR 12 HG23 THR 12 -8.479 32.579 1.229 806 H LEU 13 H LEU 13 -5.323 33.290 2.393 807 HA LEU 13 HA LEU 13 -6.120 30.979 3.625 808 HB2 LEU 13 HB2 LEU 13 -3.487 32.443 3.615 809 HB3 LEU 13 HB3 LEU 13 -3.655 30.941 4.519 810 HG LEU 13 HG LEU 13 -4.289 29.733 2.520 811 HD11 LEU 13 HD11 LEU 13 -4.243 30.960 0.303 812 HD12 LEU 13 HD12 LEU 13 -4.234 32.466 1.219 813 HD13 LEU 13 HD13 LEU 13 -5.608 31.366 1.346 814 HD21 LEU 13 HD21 LEU 13 -1.881 30.045 2.914 815 HD22 LEU 13 HD22 LEU 13 -1.917 31.551 1.999 816 HD23 LEU 13 HD23 LEU 13 -2.224 30.017 1.185 817 H GLU 14 H GLU 14 -5.304 34.044 5.167 818 HA GLU 14 HA GLU 14 -5.240 33.078 7.835 819 HB2 GLU 14 HB2 GLU 14 -4.393 35.326 6.965 820 HB3 GLU 14 HB3 GLU 14 -6.073 35.858 7.002 821 HG2 GLU 14 HG2 GLU 14 -6.209 35.348 9.394 822 HG3 GLU 14 HG3 GLU 14 -4.558 34.731 9.375 823 H ARG 15 H ARG 15 -7.805 34.587 5.908 824 HA ARG 15 HA ARG 15 -9.780 34.556 7.915 825 HB2 ARG 15 HB2 ARG 15 -9.805 35.815 5.690 826 HB3 ARG 15 HB3 ARG 15 -10.349 34.304 4.961 827 HG2 ARG 15 HG2 ARG 15 -12.290 34.250 6.453 828 HG3 ARG 15 HG3 ARG 15 -11.730 35.711 7.266 829 HD2 ARG 15 HD2 ARG 15 -12.640 35.442 4.391 830 HD3 ARG 15 HD3 ARG 15 -13.403 36.382 5.670 831 HE ARG 15 HE ARG 15 -11.146 37.184 4.072 832 HH11 ARG 15 HH21 ARG 15 -12.744 37.465 7.128 833 HH12 ARG 15 HH22 ARG 15 -12.094 39.032 7.479 834 HH21 ARG 15 HH11 ARG 15 -10.281 39.233 4.532 835 HH22 ARG 15 HH12 ARG 15 -10.708 40.038 6.004 836 H VAL 16 H VAL 16 -8.701 32.093 5.669 837 HA VAL 16 HA VAL 16 -10.949 30.385 5.890 838 HB VAL 16 HB VAL 16 -8.077 29.721 5.199 839 HG11 VAL 16 HG11 VAL 16 -10.671 28.177 4.945 840 HG12 VAL 16 HG12 VAL 16 -9.208 27.687 5.800 841 HG13 VAL 16 HG13 VAL 16 -9.217 27.764 4.038 842 HG21 VAL 16 HG21 VAL 16 -8.813 29.930 2.896 843 HG22 VAL 16 HG22 VAL 16 -9.242 31.415 3.744 844 HG23 VAL 16 HG23 VAL 16 -10.478 30.204 3.409 845 H THR 17 H THR 17 -7.694 29.910 7.334 846 HA THR 17 HA THR 17 -8.313 27.746 8.896 847 HB THR 17 HB THR 17 -6.043 28.881 8.582 848 HG1 THR 17 HG1 THR 17 -7.077 27.417 10.576 849 HG21 THR 17 HG21 THR 17 -6.680 30.266 11.175 850 HG22 THR 17 HG22 THR 17 -6.998 31.074 9.642 851 HG23 THR 17 HG23 THR 17 -5.357 30.574 10.052 852 H GLU 18 H GLU 18 -8.982 31.133 9.575 853 HA GLU 18 HA GLU 18 -9.738 30.903 12.264 854 HB2 GLU 18 HB2 GLU 18 -10.608 32.789 10.071 855 HB3 GLU 18 HB3 GLU 18 -11.175 32.947 11.734 856 HG2 GLU 18 HG2 GLU 18 -8.871 33.150 12.531 857 HG3 GLU 18 HG3 GLU 18 -8.261 32.900 10.896 858 H ILE 19 H ILE 19 -11.360 29.915 9.365 859 HA ILE 19 HA ILE 19 -14.024 29.871 10.312 860 HB ILE 19 HB ILE 19 -12.698 28.061 8.277 861 HG12 ILE 19 HG12 ILE 19 -14.344 30.573 7.856 862 HG13 ILE 19 HG13 ILE 19 -12.581 30.559 7.867 863 HG21 ILE 19 HG21 ILE 19 -14.791 27.095 8.979 864 HG22 ILE 19 HG22 ILE 19 -15.078 27.888 7.430 865 HG23 ILE 19 HG23 ILE 19 -15.596 28.664 8.928 866 HD11 ILE 19 HD11 ILE 19 -12.674 28.799 6.051 867 HD12 ILE 19 HD12 ILE 19 -13.280 30.384 5.567 868 HD13 ILE 19 HD13 ILE 19 -14.413 29.089 5.955 869 H PHE 20 H PHE 20 -11.667 27.188 10.072 870 HA PHE 20 HA PHE 20 -13.192 25.247 11.340 871 HB2 PHE 20 HB2 PHE 20 -10.220 25.415 11.791 872 HB3 PHE 20 HB3 PHE 20 -11.224 23.990 11.545 873 HD1 PHE 20 HD2 PHE 20 -12.761 24.409 9.202 874 HD2 PHE 20 HD1 PHE 20 -8.747 25.724 9.996 875 HE1 PHE 20 HE2 PHE 20 -12.304 24.490 6.770 876 HE2 PHE 20 HE1 PHE 20 -8.293 25.801 7.561 877 HZ PHE 20 HZ PHE 20 -10.072 25.183 5.947 878 H LYS 21 H LYS 21 -10.760 27.382 12.850 879 HA LYS 21 HA LYS 21 -10.904 26.576 15.450 880 HB2 LYS 21 HB2 LYS 21 -10.688 29.373 14.329 881 HB3 LYS 21 HB3 LYS 21 -10.506 29.017 16.047 882 HG2 LYS 21 HG2 LYS 21 -8.702 27.383 15.467 883 HG3 LYS 21 HG3 LYS 21 -8.837 27.884 13.782 884 HD2 LYS 21 HD2 LYS 21 -8.351 30.238 14.507 885 HD3 LYS 21 HD3 LYS 21 -8.063 29.630 16.138 886 HE2 LYS 21 HE2 LYS 21 -6.589 28.606 13.697 887 HE3 LYS 21 HE3 LYS 21 -5.975 29.899 14.727 888 HZ1 LYS 21 HZ1 LYS 21 -5.266 27.499 15.216 889 HZ2 LYS 21 HZ2 LYS 21 -6.817 27.321 15.886 890 HZ3 LYS 21 HZ3 LYS 21 -5.745 28.477 16.518 891 H ALA 22 H ALA 22 -13.244 28.601 13.743 892 HA ALA 22 HA ALA 22 -14.799 29.404 15.932 893 HB1 ALA 22 HB1 ALA 22 -14.979 30.220 13.539 894 HB2 ALA 22 HB2 ALA 22 -16.518 29.903 14.341 895 HB3 ALA 22 HB3 ALA 22 -15.870 28.741 13.185 896 H LEU 23 H LEU 23 -14.673 26.379 14.176 897 HA LEU 23 HA LEU 23 -17.024 25.304 15.578 898 HB2 LEU 23 HB2 LEU 23 -15.247 24.302 13.353 899 HB3 LEU 23 HB3 LEU 23 -16.384 23.236 14.176 900 HG LEU 23 HG LEU 23 -18.254 24.636 13.541 901 HD11 LEU 23 HD11 LEU 23 -16.082 26.492 12.557 902 HD12 LEU 23 HD12 LEU 23 -17.403 26.848 13.672 903 HD13 LEU 23 HD13 LEU 23 -17.737 26.608 11.960 904 HD21 LEU 23 HD21 LEU 23 -16.405 24.272 11.165 905 HD22 LEU 23 HD22 LEU 23 -18.165 24.371 11.114 906 HD23 LEU 23 HD23 LEU 23 -17.383 22.989 11.881 907 H GLY 24 H GLY 24 -13.616 25.444 15.811 908 HA2 GLY 24 HA2 GLY 24 -12.959 23.024 17.032 909 HA3 GLY 24 HA3 GLY 24 -12.109 24.541 17.297 910 H ASP 25 H ASP 25 -14.976 22.712 18.296 911 HA ASP 25 HA ASP 25 -14.497 23.184 21.073 912 HB2 ASP 25 HB2 ASP 25 -16.546 24.829 19.617 913 HB3 ASP 25 HB3 ASP 25 -16.850 24.364 21.289 914 H TYR 26 H TYR 26 -16.278 22.220 22.406 915 HA TYR 26 HA TYR 26 -17.116 19.728 21.134 916 HB2 TYR 26 HB2 TYR 26 -17.262 20.661 24.008 917 HB3 TYR 26 HB3 TYR 26 -17.680 19.046 23.437 918 HD1 TYR 26 HD2 TYR 26 -15.908 17.643 22.293 919 HD2 TYR 26 HD1 TYR 26 -14.992 21.279 24.389 920 HE1 TYR 26 HE2 TYR 26 -13.526 16.966 22.427 921 HE2 TYR 26 HE1 TYR 26 -12.611 20.600 24.526 922 HH TYR 26 HH TYR 26 -11.380 18.192 24.480 923 H ASN 27 H ASN 27 -18.780 21.785 23.502 924 HA ASN 27 HA ASN 27 -21.320 20.788 22.852 925 HB2 ASN 27 HB2 ASN 27 -20.803 21.753 25.032 926 HB3 ASN 27 HB3 ASN 27 -20.565 23.337 24.294 927 HD21 ASN 27 HD21 ASN 27 -22.437 24.594 23.816 928 HD22 ASN 27 HD22 ASN 27 -24.016 24.069 24.151 929 H ARG 28 H ARG 28 -19.512 23.366 21.393 930 HA ARG 28 HA ARG 28 -21.767 24.823 20.400 931 HB2 ARG 28 HB2 ARG 28 -18.873 24.791 19.531 932 HB3 ARG 28 HB3 ARG 28 -20.084 25.919 18.922 933 HG2 ARG 28 HG2 ARG 28 -20.524 26.586 21.328 934 HG3 ARG 28 HG3 ARG 28 -19.108 25.636 21.775 935 HD2 ARG 28 HD2 ARG 28 -17.671 27.011 20.399 936 HD3 ARG 28 HD3 ARG 28 -19.057 27.868 19.727 937 HE ARG 28 HE ARG 28 -19.107 29.178 21.640 938 HH11 ARG 28 HH21 ARG 28 -17.234 26.314 22.146 939 HH12 ARG 28 HH22 ARG 28 -16.625 26.815 23.688 940 HH21 ARG 28 HH11 ARG 28 -18.318 29.843 23.664 941 HH22 ARG 28 HH12 ARG 28 -17.239 28.815 24.548 942 H ILE 29 H ILE 29 -19.812 22.162 19.197 943 HA ILE 29 HA ILE 29 -20.762 22.291 16.510 944 HB ILE 29 HB ILE 29 -19.560 19.954 18.015 945 HG12 ILE 29 HG12 ILE 29 -18.257 21.960 16.149 946 HG13 ILE 29 HG13 ILE 29 -18.168 22.052 17.908 947 HG21 ILE 29 HG21 ILE 29 -20.694 19.187 16.014 948 HG22 ILE 29 HG22 ILE 29 -18.967 19.219 15.671 949 HG23 ILE 29 HG23 ILE 29 -20.008 20.507 15.066 950 HD11 ILE 29 HD11 ILE 29 -17.190 19.728 17.902 951 HD12 ILE 29 HD12 ILE 29 -16.170 20.935 17.119 952 HD13 ILE 29 HD13 ILE 29 -17.124 19.820 16.143 953 H ARG 30 H ARG 30 -21.885 20.656 19.433 954 HA ARG 30 HA ARG 30 -23.695 18.887 18.170 955 HB2 ARG 30 HB2 ARG 30 -22.890 18.815 20.586 956 HB3 ARG 30 HB3 ARG 30 -24.025 20.120 20.907 957 HG2 ARG 30 HG2 ARG 30 -25.327 18.257 21.436 958 HG3 ARG 30 HG3 ARG 30 -25.781 18.520 19.758 959 HD2 ARG 30 HD2 ARG 30 -24.220 16.787 19.027 960 HD3 ARG 30 HD3 ARG 30 -23.623 16.595 20.672 961 HE ARG 30 HE ARG 30 -26.019 15.455 19.587 962 HH11 ARG 30 HH21 ARG 30 -24.527 16.750 22.428 963 HH12 ARG 30 HH22 ARG 30 -25.493 15.822 23.527 964 HH21 ARG 30 HH11 ARG 30 -27.291 14.236 21.019 965 HH22 ARG 30 HH12 ARG 30 -27.056 14.396 22.728 966 H ILE 31 H ILE 31 -23.876 22.265 19.039 967 HA ILE 31 HA ILE 31 -26.729 22.486 18.755 968 HB ILE 31 HB ILE 31 -24.565 24.607 18.722 969 HG12 ILE 31 HG12 ILE 31 -26.452 23.800 20.951 970 HG13 ILE 31 HG13 ILE 31 -24.806 23.185 20.810 971 HG21 ILE 31 HG21 ILE 31 -26.556 25.490 17.686 972 HG22 ILE 31 HG22 ILE 31 -26.518 26.096 19.342 973 HG23 ILE 31 HG23 ILE 31 -27.585 24.758 18.917 974 HD11 ILE 31 HD11 ILE 31 -23.961 25.529 20.836 975 HD12 ILE 31 HD12 ILE 31 -24.831 25.116 22.313 976 HD13 ILE 31 HD13 ILE 31 -25.613 26.097 21.074 977 H MET 32 H MET 32 -23.967 23.546 16.760 978 HA MET 32 HA MET 32 -25.291 24.599 14.596 979 HB2 MET 32 HB2 MET 32 -22.803 22.871 14.561 980 HB3 MET 32 HB3 MET 32 -23.332 23.912 13.240 981 HG2 MET 32 HG2 MET 32 -23.036 25.888 14.557 982 HG3 MET 32 HG3 MET 32 -22.851 24.953 16.041 983 HE1 MET 32 HE1 MET 32 -20.937 26.305 16.621 984 HE2 MET 32 HE2 MET 32 -20.655 27.223 15.143 985 HE3 MET 32 HE3 MET 32 -19.340 26.303 15.871 986 H GLU 33 H GLU 33 -24.616 21.178 15.255 987 HA GLU 33 HA GLU 33 -25.502 20.081 12.850 988 HB2 GLU 33 HB2 GLU 33 -25.574 19.011 15.674 989 HB3 GLU 33 HB3 GLU 33 -26.054 18.048 14.277 990 HG2 GLU 33 HG2 GLU 33 -23.859 18.289 13.282 991 HG3 GLU 33 HG3 GLU 33 -23.370 19.429 14.534 992 H LEU 34 H LEU 34 -27.381 20.482 15.863 993 HA LEU 34 HA LEU 34 -29.841 19.713 14.699 994 HB2 LEU 34 HB2 LEU 34 -29.009 19.979 17.225 995 HB3 LEU 34 HB3 LEU 34 -29.764 21.551 17.075 996 HG LEU 34 HG LEU 34 -31.413 20.087 17.965 997 HD11 LEU 34 HD11 LEU 34 -32.024 21.637 16.005 998 HD12 LEU 34 HD12 LEU 34 -33.174 20.372 16.433 999 HD13 LEU 34 HD13 LEU 34 -32.118 20.161 15.039 1000 HD21 LEU 34 HD21 LEU 34 -30.158 17.983 16.977 1001 HD22 LEU 34 HD22 LEU 34 -31.296 18.176 15.645 1002 HD23 LEU 34 HD23 LEU 34 -31.888 17.929 17.283 1003 H LEU 35 H LEU 35 -28.280 22.842 15.170 1004 HA LEU 35 HA LEU 35 -30.440 24.495 14.524 1005 HB2 LEU 35 HB2 LEU 35 -28.019 25.019 15.406 1006 HB3 LEU 35 HB3 LEU 35 -27.627 25.191 13.705 1007 HG LEU 35 HG LEU 35 -28.186 27.363 14.550 1008 HD11 LEU 35 HD11 LEU 35 -30.657 26.441 13.086 1009 HD12 LEU 35 HD12 LEU 35 -29.090 26.608 12.292 1010 HD13 LEU 35 HD13 LEU 35 -29.870 28.016 13.012 1011 HD21 LEU 35 HD21 LEU 35 -30.985 26.602 15.321 1012 HD22 LEU 35 HD22 LEU 35 -29.965 27.910 15.903 1013 HD23 LEU 35 HD23 LEU 35 -29.680 26.267 16.456 1014 H SER 36 H SER 36 -27.747 23.591 12.358 1015 HA SER 36 HA SER 36 -28.697 24.654 10.020 1016 HB2 SER 36 HB2 SER 36 -27.274 21.993 10.228 1017 HB3 SER 36 HB3 SER 36 -27.279 23.090 8.848 1018 HG SER 36 HG SER 36 -26.536 24.544 10.862 1019 H VAL 37 H VAL 37 -29.073 21.192 10.822 1020 HA VAL 37 HA VAL 37 -30.690 20.499 8.725 1021 HB VAL 37 HB VAL 37 -31.442 18.598 10.068 1022 HG11 VAL 37 HG11 VAL 37 -29.233 17.726 10.658 1023 HG12 VAL 37 HG12 VAL 37 -28.572 19.361 10.690 1024 HG13 VAL 37 HG13 VAL 37 -29.119 18.660 9.167 1025 HG21 VAL 37 HG21 VAL 37 -30.308 20.232 12.352 1026 HG22 VAL 37 HG22 VAL 37 -30.688 18.515 12.481 1027 HG23 VAL 37 HG23 VAL 37 -31.972 19.682 12.159 1028 H SER 38 H SER 38 -31.611 22.394 11.489 1029 HA SER 38 HA SER 38 -34.177 22.927 10.317 1030 HB2 SER 38 HB2 SER 38 -34.593 20.711 11.370 1031 HB3 SER 38 HB3 SER 38 -34.151 21.402 12.931 1032 HG SER 38 HG SER 38 -36.382 21.889 11.314 1033 H GLU 39 H GLU 39 -34.234 25.052 10.601 1034 HA GLU 39 HA GLU 39 -32.959 26.500 12.650 1035 HB2 GLU 39 HB2 GLU 39 -34.478 28.365 11.931 1036 HB3 GLU 39 HB3 GLU 39 -33.607 27.605 10.601 1037 HG2 GLU 39 HG2 GLU 39 -35.610 26.165 10.178 1038 HG3 GLU 39 HG3 GLU 39 -36.473 27.060 11.427 1039 H ALA 40 H ALA 40 -33.754 27.468 14.532 1040 HA ALA 40 HA ALA 40 -36.465 26.968 15.425 1041 HB1 ALA 40 HB1 ALA 40 -34.222 25.799 17.075 1042 HB2 ALA 40 HB2 ALA 40 -35.144 24.837 15.919 1043 HB3 ALA 40 HB3 ALA 40 -35.959 25.586 17.292 1044 H SER 41 H SER 41 -36.552 27.656 17.887 1045 HA SER 41 HA SER 41 -35.243 30.295 18.060 1046 HB2 SER 41 HB2 SER 41 -37.736 30.095 18.298 1047 HB3 SER 41 HB3 SER 41 -37.467 29.151 19.762 1048 HG SER 41 HG SER 41 -37.671 31.667 19.715 1049 H VAL 42 H VAL 42 -34.318 30.964 20.103 1050 HA VAL 42 HA VAL 42 -32.427 29.238 21.163 1051 HB VAL 42 HB VAL 42 -33.754 31.600 22.519 1052 HG11 VAL 42 HG11 VAL 42 -31.513 31.661 23.732 1053 HG12 VAL 42 HG12 VAL 42 -31.228 30.039 23.101 1054 HG13 VAL 42 HG13 VAL 42 -32.585 30.337 24.186 1055 HG21 VAL 42 HG21 VAL 42 -32.781 32.277 20.420 1056 HG22 VAL 42 HG22 VAL 42 -31.329 31.322 20.724 1057 HG23 VAL 42 HG23 VAL 42 -31.658 32.758 21.694 1058 H GLY 43 H GLY 43 -35.601 30.096 22.541 1059 HA2 GLY 43 HA2 GLY 43 -35.460 28.528 24.846 1060 HA3 GLY 43 HA3 GLY 43 -36.953 29.008 24.048 1061 H HIS 44 H HIS 44 -36.662 27.669 21.600 1062 HA HIS 44 HA HIS 44 -37.570 25.082 22.310 1063 HB2 HIS 44 HB2 HIS 44 -38.309 26.246 20.273 1064 HB3 HIS 44 HB3 HIS 44 -36.676 26.141 19.617 1065 HD1 HIS 44 HD1 HIS 44 -36.050 24.009 18.435 1066 HD2 HIS 44 HD2 HIS 44 -39.550 23.593 20.662 1067 HE1 HIS 44 HE1 HIS 44 -36.989 21.728 17.872 1068 HE2 HIS 44 HE2 HIS 44 -39.122 21.456 19.221 1069 H ILE 45 H ILE 45 -34.454 26.338 21.312 1070 HA ILE 45 HA ILE 45 -33.250 23.801 20.770 1071 HB ILE 45 HB ILE 45 -32.063 26.512 21.398 1072 HG12 ILE 45 HG12 ILE 45 -32.114 24.953 18.805 1073 HG13 ILE 45 HG13 ILE 45 -33.374 26.107 19.243 1074 HG21 ILE 45 HG21 ILE 45 -30.749 23.891 20.635 1075 HG22 ILE 45 HG22 ILE 45 -30.396 24.903 22.037 1076 HG23 ILE 45 HG23 ILE 45 -29.962 25.454 20.419 1077 HD11 ILE 45 HD11 ILE 45 -30.427 26.806 19.179 1078 HD12 ILE 45 HD12 ILE 45 -31.787 27.918 19.331 1079 HD13 ILE 45 HD13 ILE 45 -31.511 27.063 17.813 1080 H SER 46 H SER 46 -33.936 25.597 23.649 1081 HA SER 46 HA SER 46 -32.044 24.746 25.455 1082 HB2 SER 46 HB2 SER 46 -33.947 26.268 25.971 1083 HB3 SER 46 HB3 SER 46 -35.026 24.875 25.967 1084 HG SER 46 HG SER 46 -34.073 25.596 28.055 1085 H HIS 47 H HIS 47 -34.982 23.004 24.451 1086 HA HIS 47 HA HIS 47 -34.787 20.765 26.059 1087 HB2 HIS 47 HB2 HIS 47 -36.695 21.187 24.583 1088 HB3 HIS 47 HB3 HIS 47 -35.682 20.900 23.168 1089 HD1 HIS 47 HD1 HIS 47 -36.976 18.792 22.418 1090 HD2 HIS 47 HD2 HIS 47 -35.439 18.500 26.283 1091 HE1 HIS 47 HE1 HIS 47 -37.232 16.370 23.108 1092 HE2 HIS 47 HE2 HIS 47 -36.305 16.174 25.464 1093 H GLN 48 H GLN 48 -32.697 21.744 23.520 1094 HA GLN 48 HA GLN 48 -31.569 19.069 23.100 1095 HB2 GLN 48 HB2 GLN 48 -30.568 21.678 21.959 1096 HB3 GLN 48 HB3 GLN 48 -30.304 20.046 21.346 1097 HG2 GLN 48 HG2 GLN 48 -32.970 21.487 21.468 1098 HG3 GLN 48 HG3 GLN 48 -32.022 21.194 20.012 1099 HE21 GLN 48 HE21 GLN 48 -34.579 19.954 21.814 1100 HE22 GLN 48 HE22 GLN 48 -34.535 18.351 21.255 1101 H LEU 49 H LEU 49 -31.009 21.931 24.955 1102 HA LEU 49 HA LEU 49 -28.810 20.675 26.344 1103 HB2 LEU 49 HB2 LEU 49 -27.787 21.772 24.278 1104 HB3 LEU 49 HB3 LEU 49 -28.286 23.311 24.966 1105 HG LEU 49 HG LEU 49 -27.015 22.485 27.111 1106 HD11 LEU 49 HD11 LEU 49 -26.540 20.203 26.471 1107 HD12 LEU 49 HD12 LEU 49 -25.017 21.084 26.467 1108 HD13 LEU 49 HD13 LEU 49 -25.826 20.724 24.946 1109 HD21 LEU 49 HD21 LEU 49 -24.848 23.345 26.141 1110 HD22 LEU 49 HD22 LEU 49 -26.239 24.393 25.867 1111 HD23 LEU 49 HD23 LEU 49 -25.638 23.368 24.564 1112 H ASN 50 H ASN 50 -31.111 21.199 27.470 1113 HA ASN 50 HA ASN 50 -31.897 23.631 28.367 1114 HB2 ASN 50 HB2 ASN 50 -31.649 21.194 30.143 1115 HB3 ASN 50 HB3 ASN 50 -32.762 22.543 30.356 1116 HD21 ASN 50 HD21 ASN 50 -34.827 21.913 29.722 1117 HD22 ASN 50 HD22 ASN 50 -35.178 20.937 28.378 1118 H LEU 51 H LEU 51 -30.589 25.257 28.933 1119 HA LEU 51 HA LEU 51 -29.256 25.177 31.448 1120 HB2 LEU 51 HB2 LEU 51 -27.672 24.010 29.707 1121 HB3 LEU 51 HB3 LEU 51 -27.341 25.651 29.168 1122 HG LEU 51 HG LEU 51 -26.992 24.594 31.990 1123 HD11 LEU 51 HD11 LEU 51 -24.889 25.579 30.050 1124 HD12 LEU 51 HD12 LEU 51 -25.330 23.878 30.197 1125 HD13 LEU 51 HD13 LEU 51 -24.638 24.732 31.576 1126 HD21 LEU 51 HD21 LEU 51 -27.555 26.875 32.243 1127 HD22 LEU 51 HD22 LEU 51 -26.699 27.343 30.773 1128 HD23 LEU 51 HD23 LEU 51 -25.794 26.883 32.216 1129 H SER 52 H SER 52 -30.036 27.009 32.122 1130 HA SER 52 HA SER 52 -31.125 29.123 31.721 1131 HB2 SER 52 HB2 SER 52 -28.211 29.736 32.183 1132 HB3 SER 52 HB3 SER 52 -29.617 30.612 32.785 1133 HG SER 52 HG SER 52 -28.384 28.862 34.108 1134 H GLN 53 H GLN 53 -31.826 30.061 29.942 1135 HA GLN 53 HA GLN 53 -30.690 30.249 27.478 1136 HB2 GLN 53 HB2 GLN 53 -32.507 32.212 28.882 1137 HB3 GLN 53 HB3 GLN 53 -32.079 32.355 27.178 1138 HG2 GLN 53 HG2 GLN 53 -34.183 31.146 27.362 1139 HG3 GLN 53 HG3 GLN 53 -32.931 30.031 26.818 1140 HE21 GLN 53 HE21 GLN 53 -33.161 28.056 27.864 1141 HE22 GLN 53 HE22 GLN 53 -33.595 27.862 29.493 1142 H SER 54 H SER 54 -30.213 32.519 30.167 1143 HA SER 54 HA SER 54 -28.856 34.571 28.990 1144 HB2 SER 54 HB2 SER 54 -29.296 34.550 31.374 1145 HB3 SER 54 HB3 SER 54 -28.194 33.193 31.602 1146 HG SER 54 HG SER 54 -27.465 35.724 30.549 1147 H ASN 55 H ASN 55 -27.580 31.372 29.767 1148 HA ASN 55 HA ASN 55 -24.879 31.955 29.058 1149 HB2 ASN 55 HB2 ASN 55 -26.319 29.295 29.168 1150 HB3 ASN 55 HB3 ASN 55 -24.572 29.516 29.095 1151 HD21 ASN 55 HD21 ASN 55 -24.722 28.278 31.264 1152 HD22 ASN 55 HD22 ASN 55 -24.986 29.200 32.664 1153 H VAL 56 H VAL 56 -27.612 30.516 27.314 1154 HA VAL 56 HA VAL 56 -26.121 29.938 24.947 1155 HB VAL 56 HB VAL 56 -29.108 30.265 25.319 1156 HG11 VAL 56 HG11 VAL 56 -28.571 30.370 22.978 1157 HG12 VAL 56 HG12 VAL 56 -29.127 28.727 23.296 1158 HG13 VAL 56 HG13 VAL 56 -27.403 29.057 23.127 1159 HG21 VAL 56 HG21 VAL 56 -27.348 27.793 25.387 1160 HG22 VAL 56 HG22 VAL 56 -29.105 27.816 25.549 1161 HG23 VAL 56 HG23 VAL 56 -28.094 28.547 26.796 1162 H SER 57 H SER 57 -28.130 32.647 25.999 1163 HA SER 57 HA SER 57 -28.333 34.021 23.564 1164 HB2 SER 57 HB2 SER 57 -29.637 34.667 25.522 1165 HB3 SER 57 HB3 SER 57 -28.165 35.112 26.384 1166 HG SER 57 HG SER 57 -29.509 36.763 25.109 1167 H HIS 58 H HIS 58 -25.726 33.794 25.888 1168 HA HIS 58 HA HIS 58 -24.160 35.918 24.708 1169 HB2 HIS 58 HB2 HIS 58 -23.340 33.723 26.629 1170 HB3 HIS 58 HB3 HIS 58 -22.399 35.162 26.238 1171 HD1 HIS 58 HD1 HIS 58 -23.289 34.689 29.146 1172 HD2 HIS 58 HD2 HIS 58 -25.504 36.917 26.404 1173 HE1 HIS 58 HE1 HIS 58 -24.771 36.225 30.504 1174 HE2 HIS 58 HE2 HIS 58 -26.128 37.592 28.849 1175 H GLN 59 H GLN 59 -23.914 32.365 24.842 1176 HA GLN 59 HA GLN 59 -21.694 32.060 23.184 1177 HB2 GLN 59 HB2 GLN 59 -24.085 30.269 23.642 1178 HB3 GLN 59 HB3 GLN 59 -22.677 29.776 22.701 1179 HG2 GLN 59 HG2 GLN 59 -22.464 30.840 25.525 1180 HG3 GLN 59 HG3 GLN 59 -22.644 29.123 25.169 1181 HE21 GLN 59 HE21 GLN 59 -20.330 31.554 25.623 1182 HE22 GLN 59 HE22 GLN 59 -19.011 30.780 24.885 1183 H LEU 60 H LEU 60 -25.161 31.933 22.266 1184 HA LEU 60 HA LEU 60 -24.847 31.514 19.552 1185 HB2 LEU 60 HB2 LEU 60 -27.017 31.418 20.632 1186 HB3 LEU 60 HB3 LEU 60 -26.933 33.129 21.037 1187 HG LEU 60 HG LEU 60 -27.042 33.746 18.687 1188 HD11 LEU 60 HD11 LEU 60 -25.845 32.079 17.520 1189 HD12 LEU 60 HD12 LEU 60 -27.511 31.787 17.035 1190 HD13 LEU 60 HD13 LEU 60 -26.761 30.769 18.265 1191 HD21 LEU 60 HD21 LEU 60 -29.087 31.632 19.422 1192 HD22 LEU 60 HD22 LEU 60 -29.290 32.839 18.154 1193 HD23 LEU 60 HD23 LEU 60 -29.165 33.344 19.839 1194 H LYS 61 H LYS 61 -24.562 34.503 21.399 1195 HA LYS 61 HA LYS 61 -24.646 36.348 19.297 1196 HB2 LYS 61 HB2 LYS 61 -24.587 36.807 21.812 1197 HB3 LYS 61 HB3 LYS 61 -22.839 36.611 21.702 1198 HG2 LYS 61 HG2 LYS 61 -22.925 38.343 19.808 1199 HG3 LYS 61 HG3 LYS 61 -24.572 38.681 20.342 1200 HD2 LYS 61 HD2 LYS 61 -22.097 38.836 22.091 1201 HD3 LYS 61 HD3 LYS 61 -22.938 40.220 21.394 1202 HE2 LYS 61 HE2 LYS 61 -25.041 39.313 22.585 1203 HE3 LYS 61 HE3 LYS 61 -23.927 38.298 23.501 1204 HZ1 LYS 61 HZ1 LYS 61 -24.475 40.486 24.538 1205 HZ2 LYS 61 HZ2 LYS 61 -23.628 41.237 23.272 1206 HZ3 LYS 61 HZ3 LYS 61 -22.816 40.190 24.335 1207 H LEU 62 H LEU 62 -22.137 34.151 20.310 1208 HA LEU 62 HA LEU 62 -20.047 35.465 18.805 1209 HB2 LEU 62 HB2 LEU 62 -19.445 34.271 20.815 1210 HB3 LEU 62 HB3 LEU 62 -20.192 32.794 20.217 1211 HG LEU 62 HG LEU 62 -18.527 32.592 18.463 1212 HD11 LEU 62 HD11 LEU 62 -16.574 34.309 18.553 1213 HD12 LEU 62 HD12 LEU 62 -17.719 35.347 19.401 1214 HD13 LEU 62 HD13 LEU 62 -18.067 34.800 17.761 1215 HD21 LEU 62 HD21 LEU 62 -16.465 32.431 19.889 1216 HD22 LEU 62 HD22 LEU 62 -17.885 31.669 20.606 1217 HD23 LEU 62 HD23 LEU 62 -17.351 33.251 21.176 1218 H LEU 63 H LEU 63 -22.003 32.508 18.445 1219 HA LEU 63 HA LEU 63 -20.780 31.587 16.082 1220 HB2 LEU 63 HB2 LEU 63 -23.484 31.142 17.336 1221 HB3 LEU 63 HB3 LEU 63 -23.106 30.442 15.764 1222 HG LEU 63 HG LEU 63 -21.091 29.367 16.770 1223 HD11 LEU 63 HD11 LEU 63 -21.141 29.256 19.332 1224 HD12 LEU 63 HD12 LEU 63 -22.232 30.638 19.262 1225 HD13 LEU 63 HD13 LEU 63 -20.592 30.776 18.628 1226 HD21 LEU 63 HD21 LEU 63 -23.286 28.192 16.586 1227 HD22 LEU 63 HD22 LEU 63 -23.683 28.740 18.215 1228 HD23 LEU 63 HD23 LEU 63 -22.333 27.632 17.962 1229 H LYS 64 H LYS 64 -23.430 33.873 16.600 1230 HA LYS 64 HA LYS 64 -24.072 34.060 13.804 1231 HB2 LYS 64 HB2 LYS 64 -25.689 35.639 14.423 1232 HB3 LYS 64 HB3 LYS 64 -25.604 34.545 15.790 1233 HG2 LYS 64 HG2 LYS 64 -25.416 36.482 17.020 1234 HG3 LYS 64 HG3 LYS 64 -23.725 36.390 16.557 1235 HD2 LYS 64 HD2 LYS 64 -24.316 37.806 14.529 1236 HD3 LYS 64 HD3 LYS 64 -25.911 38.021 15.245 1237 HE2 LYS 64 HE2 LYS 64 -24.555 39.907 15.902 1238 HE3 LYS 64 HE3 LYS 64 -24.772 38.885 17.323 1239 HZ1 LYS 64 HZ1 LYS 64 -22.569 37.830 16.240 1240 HZ2 LYS 64 HZ2 LYS 64 -22.553 39.031 17.440 1241 HZ3 LYS 64 HZ3 LYS 64 -22.376 39.460 15.806 1242 H SER 65 H SER 65 -21.678 35.415 15.836 1243 HA SER 65 HA SER 65 -21.222 37.872 14.493 1244 HB2 SER 65 HB2 SER 65 -20.317 37.144 16.769 1245 HB3 SER 65 HB3 SER 65 -19.106 36.223 15.878 1246 HG SER 65 HG SER 65 -19.363 38.737 14.912 1247 H VAL 66 H VAL 66 -19.542 34.730 14.244 1248 HA VAL 66 HA VAL 66 -17.890 35.474 12.074 1249 HB VAL 66 HB VAL 66 -17.324 33.563 13.426 1250 HG11 VAL 66 HG11 VAL 66 -18.720 31.533 13.436 1251 HG12 VAL 66 HG12 VAL 66 -19.910 32.345 12.421 1252 HG13 VAL 66 HG13 VAL 66 -19.613 32.920 14.061 1253 HG21 VAL 66 HG21 VAL 66 -18.150 32.341 10.792 1254 HG22 VAL 66 HG22 VAL 66 -16.690 32.060 11.736 1255 HG23 VAL 66 HG23 VAL 66 -16.890 33.574 10.860 1256 H HIS 67 H HIS 67 -21.140 35.325 12.168 1257 HA HIS 67 HA HIS 67 -22.738 35.506 10.561 1258 HB2 HIS 67 HB2 HIS 67 -20.748 36.642 9.331 1259 HB3 HIS 67 HB3 HIS 67 -20.650 35.144 8.411 1260 HD1 HIS 67 HD1 HIS 67 -21.401 37.568 6.822 1261 HD2 HIS 67 HD2 HIS 67 -24.262 35.253 8.780 1262 HE1 HIS 67 HE1 HIS 67 -23.606 38.032 5.671 1263 HE2 HIS 67 HE2 HIS 67 -25.362 36.629 6.852 1264 H LEU 68 H LEU 68 -21.341 32.820 11.426 1265 HA LEU 68 HA LEU 68 -21.818 30.989 9.324 1266 HB2 LEU 68 HB2 LEU 68 -20.413 30.396 11.213 1267 HB3 LEU 68 HB3 LEU 68 -21.758 30.611 12.329 1268 HG LEU 68 HG LEU 68 -22.942 28.725 11.336 1269 HD11 LEU 68 HD11 LEU 68 -22.412 28.753 9.036 1270 HD12 LEU 68 HD12 LEU 68 -21.557 27.331 9.620 1271 HD13 LEU 68 HD13 LEU 68 -20.678 28.833 9.341 1272 HD21 LEU 68 HD21 LEU 68 -20.029 28.128 11.922 1273 HD22 LEU 68 HD22 LEU 68 -21.321 26.927 11.909 1274 HD23 LEU 68 HD23 LEU 68 -21.336 28.225 13.103 1275 H VAL 69 H VAL 69 -23.917 32.782 11.280 1276 HA VAL 69 HA VAL 69 -26.248 31.204 10.360 1277 HB VAL 69 HB VAL 69 -26.008 32.456 13.105 1278 HG11 VAL 69 HG11 VAL 69 -28.078 30.720 11.736 1279 HG12 VAL 69 HG12 VAL 69 -28.296 32.344 12.388 1280 HG13 VAL 69 HG13 VAL 69 -28.045 30.983 13.480 1281 HG21 VAL 69 HG21 VAL 69 -24.497 30.587 13.065 1282 HG22 VAL 69 HG22 VAL 69 -25.654 29.595 12.178 1283 HG23 VAL 69 HG23 VAL 69 -25.971 30.033 13.858 1284 H LYS 70 H LYS 70 -28.219 32.486 10.262 1285 HA LYS 70 HA LYS 70 -27.842 35.417 10.192 1286 HB2 LYS 70 HB2 LYS 70 -27.435 34.481 7.908 1287 HB3 LYS 70 HB3 LYS 70 -29.063 33.805 7.939 1288 HG2 LYS 70 HG2 LYS 70 -30.032 36.025 8.168 1289 HG3 LYS 70 HG3 LYS 70 -28.429 36.748 8.297 1290 HD2 LYS 70 HD2 LYS 70 -27.890 36.099 6.024 1291 HD3 LYS 70 HD3 LYS 70 -29.389 35.180 5.887 1292 HE2 LYS 70 HE2 LYS 70 -30.681 37.278 6.200 1293 HE3 LYS 70 HE3 LYS 70 -29.168 38.181 6.273 1294 HZ1 LYS 70 HZ1 LYS 70 -28.849 38.002 4.072 1295 HZ2 LYS 70 HZ2 LYS 70 -30.528 37.752 4.023 1296 HZ3 LYS 70 HZ3 LYS 70 -29.470 36.425 3.987 1297 H ALA 71 H ALA 71 -29.392 36.322 11.324 1298 HA ALA 71 HA ALA 71 -31.980 34.935 11.708 1299 HB1 ALA 71 HB1 ALA 71 -30.580 35.658 13.702 1300 HB2 ALA 71 HB2 ALA 71 -32.241 36.254 13.677 1301 HB3 ALA 71 HB3 ALA 71 -30.913 37.322 13.220 1302 H LYS 72 H LYS 72 -33.917 36.301 11.714 1303 HA LYS 72 HA LYS 72 -33.758 38.790 10.145 1304 HB2 LYS 72 HB2 LYS 72 -34.068 36.923 8.529 1305 HB3 LYS 72 HB3 LYS 72 -35.531 36.451 9.394 1306 HG2 LYS 72 HG2 LYS 72 -36.628 38.505 8.850 1307 HG3 LYS 72 HG3 LYS 72 -35.126 39.236 8.283 1308 HD2 LYS 72 HD2 LYS 72 -35.029 37.526 6.465 1309 HD3 LYS 72 HD3 LYS 72 -36.594 36.912 6.999 1310 HE2 LYS 72 HE2 LYS 72 -36.953 38.458 5.155 1311 HE3 LYS 72 HE3 LYS 72 -37.552 39.201 6.637 1312 HZ1 LYS 72 HZ1 LYS 72 -36.148 40.662 5.198 1313 HZ2 LYS 72 HZ2 LYS 72 -34.824 39.668 5.578 1314 HZ3 LYS 72 HZ3 LYS 72 -35.622 40.527 6.807 1315 H ARG 73 H ARG 73 -35.758 40.008 10.200 1316 HA ARG 73 HA ARG 73 -37.006 39.860 12.806 1317 HB2 ARG 73 HB2 ARG 73 -37.701 41.724 10.530 1318 HB3 ARG 73 HB3 ARG 73 -37.996 41.964 12.253 1319 HG2 ARG 73 HG2 ARG 73 -35.479 41.859 12.583 1320 HG3 ARG 73 HG3 ARG 73 -35.325 41.929 10.827 1321 HD2 ARG 73 HD2 ARG 73 -36.637 44.049 10.834 1322 HD3 ARG 73 HD3 ARG 73 -36.674 43.990 12.595 1323 HE ARG 73 HE ARG 73 -33.993 43.816 11.820 1324 HH11 ARG 73 HH21 ARG 73 -36.663 46.008 11.636 1325 HH12 ARG 73 HH22 ARG 73 -35.674 47.431 11.638 1326 HH21 ARG 73 HH11 ARG 73 -32.689 45.674 11.822 1327 HH22 ARG 73 HH12 ARG 73 -33.422 47.240 11.745 1328 H GLN 74 H GLN 74 -38.389 38.155 12.963 1329 HA GLN 74 HA GLN 74 -40.671 38.040 11.057 1330 HB2 GLN 74 HB2 GLN 74 -39.057 36.067 11.023 1331 HB3 GLN 74 HB3 GLN 74 -39.599 35.718 12.664 1332 HG2 GLN 74 HG2 GLN 74 -41.912 35.524 11.889 1333 HG3 GLN 74 HG3 GLN 74 -41.423 35.962 10.253 1334 HE21 GLN 74 HE21 GLN 74 -40.376 34.335 8.954 1335 HE22 GLN 74 HE22 GLN 74 -40.240 32.721 9.462 1336 H GLY 75 H GLY 75 -42.273 39.070 12.098 1337 HA2 GLY 75 HA2 GLY 75 -43.902 39.479 13.680 1338 HA3 GLY 75 HA3 GLY 75 -43.441 37.963 14.451 1339 H GLN 76 H GLN 76 -43.872 39.328 16.441 1340 HA GLN 76 HA GLN 76 -41.906 41.353 17.097 1341 HB2 GLN 76 HB2 GLN 76 -43.895 39.970 18.912 1342 HB3 GLN 76 HB3 GLN 76 -43.049 41.485 19.225 1343 HG2 GLN 76 HG2 GLN 76 -44.151 42.429 17.159 1344 HG3 GLN 76 HG3 GLN 76 -45.118 40.956 17.075 1345 HE21 GLN 76 HE21 GLN 76 -45.697 43.967 17.836 1346 HE22 GLN 76 HE22 GLN 76 -46.626 43.814 19.247 1347 H SER 77 H SER 77 -40.994 38.617 16.427 1348 HA SER 77 HA SER 77 -39.389 38.100 18.860 1349 HB2 SER 77 HB2 SER 77 -40.715 35.946 17.195 1350 HB3 SER 77 HB3 SER 77 -39.730 35.714 18.640 1351 HG SER 77 HG SER 77 -41.725 37.482 19.079 1352 H MET 78 H MET 78 -37.392 37.106 18.480 1353 HA MET 78 HA MET 78 -36.286 37.598 15.798 1354 HB2 MET 78 HB2 MET 78 -35.196 38.500 17.894 1355 HB3 MET 78 HB3 MET 78 -34.818 36.833 18.328 1356 HG2 MET 78 HG2 MET 78 -33.533 36.545 16.277 1357 HG3 MET 78 HG3 MET 78 -34.000 38.153 15.723 1358 HE1 MET 78 HE1 MET 78 -30.636 39.482 16.380 1359 HE2 MET 78 HE2 MET 78 -32.210 39.796 15.650 1360 HE3 MET 78 HE3 MET 78 -31.371 38.283 15.313 1361 H ILE 79 H ILE 79 -36.094 35.975 14.422 1362 HA ILE 79 HA ILE 79 -35.946 33.180 15.421 1363 HB ILE 79 HB ILE 79 -37.891 33.727 13.976 1364 HG12 ILE 79 HG12 ILE 79 -35.924 31.982 12.479 1365 HG13 ILE 79 HG13 ILE 79 -36.673 31.470 13.992 1366 HG21 ILE 79 HG21 ILE 79 -35.829 34.176 11.805 1367 HG22 ILE 79 HG22 ILE 79 -36.634 35.492 12.661 1368 HG23 ILE 79 HG23 ILE 79 -37.576 34.370 11.680 1369 HD11 ILE 79 HD11 ILE 79 -38.912 31.827 12.987 1370 HD12 ILE 79 HD12 ILE 79 -37.974 30.642 12.079 1371 HD13 ILE 79 HD13 ILE 79 -38.144 32.287 11.467 1372 H TYR 80 H TYR 80 -34.271 31.905 14.838 1373 HA TYR 80 HA TYR 80 -32.049 33.153 13.317 1374 HB2 TYR 80 HB2 TYR 80 -32.115 30.991 15.428 1375 HB3 TYR 80 HB3 TYR 80 -30.686 31.360 14.463 1376 HD1 TYR 80 HD2 TYR 80 -29.551 33.541 14.668 1377 HD2 TYR 80 HD1 TYR 80 -32.926 32.527 17.124 1378 HE1 TYR 80 HE2 TYR 80 -29.010 35.423 16.190 1379 HE2 TYR 80 HE1 TYR 80 -32.386 34.409 18.645 1380 HH TYR 80 HH TYR 80 -31.099 36.199 18.966 1381 H SER 81 H SER 81 -31.305 32.229 11.504 1382 HA SER 81 HA SER 81 -31.765 29.460 10.862 1383 HB2 SER 81 HB2 SER 81 -33.958 30.636 10.294 1384 HB3 SER 81 HB3 SER 81 -33.061 31.488 9.039 1385 HG SER 81 HG SER 81 -32.677 29.602 8.013 1386 H LEU 82 H LEU 82 -31.372 29.535 8.133 1387 HA LEU 82 HA LEU 82 -29.380 31.336 7.270 1388 HB2 LEU 82 HB2 LEU 82 -27.485 29.576 7.254 1389 HB3 LEU 82 HB3 LEU 82 -27.818 30.423 8.761 1390 HG LEU 82 HG LEU 82 -29.205 28.513 9.519 1391 HD11 LEU 82 HD11 LEU 82 -30.029 27.462 7.591 1392 HD12 LEU 82 HD12 LEU 82 -28.786 26.338 8.123 1393 HD13 LEU 82 HD13 LEU 82 -28.454 27.451 6.798 1394 HD21 LEU 82 HD21 LEU 82 -27.307 26.935 9.835 1395 HD22 LEU 82 HD22 LEU 82 -26.846 28.609 10.137 1396 HD23 LEU 82 HD23 LEU 82 -26.391 27.830 8.622 1397 H ASP 83 H ASP 83 -28.106 30.260 5.333 1398 HA ASP 83 HA ASP 83 -30.071 29.418 3.461 1399 HB2 ASP 83 HB2 ASP 83 -27.052 29.504 3.365 1400 HB3 ASP 83 HB3 ASP 83 -28.034 28.981 1.997 1401 H ASP 84 H ASP 84 -27.078 27.663 3.878 1402 HA ASP 84 HA ASP 84 -26.670 25.507 4.626 1403 HB2 ASP 84 HB2 ASP 84 -28.282 24.018 5.332 1404 HB3 ASP 84 HB3 ASP 84 -29.123 25.535 5.585 1405 H ILE 85 H ILE 85 -27.582 23.194 3.429 1406 HA ILE 85 HA ILE 85 -27.569 21.967 1.521 1407 HB ILE 85 HB ILE 85 -28.614 24.343 0.532 1408 HG12 ILE 85 HG12 ILE 85 -27.976 21.877 -1.095 1409 HG13 ILE 85 HG13 ILE 85 -29.362 22.053 -0.017 1410 HG21 ILE 85 HG21 ILE 85 -26.229 24.940 -0.249 1411 HG22 ILE 85 HG22 ILE 85 -27.513 25.002 -1.449 1412 HG23 ILE 85 HG23 ILE 85 -26.414 23.626 -1.405 1413 HD11 ILE 85 HD11 ILE 85 -28.763 23.631 -2.530 1414 HD12 ILE 85 HD12 ILE 85 -29.990 24.123 -1.362 1415 HD13 ILE 85 HD13 ILE 85 -30.150 22.588 -2.217 1416 H HIS 86 H HIS 86 -25.370 24.678 1.824 1417 HA HIS 86 HA HIS 86 -23.178 23.185 0.561 1418 HB2 HIS 86 HB2 HIS 86 -23.360 25.978 1.715 1419 HB3 HIS 86 HB3 HIS 86 -21.895 25.285 1.019 1420 HD1 HIS 86 HD1 HIS 86 -23.891 27.702 -0.061 1421 HD2 HIS 86 HD2 HIS 86 -23.312 23.899 -1.670 1422 HE1 HIS 86 HE1 HIS 86 -24.593 27.838 -2.488 1423 HE2 HIS 86 HE2 HIS 86 -24.248 25.529 -3.484 1424 H VAL 87 H VAL 87 -22.806 25.313 3.302 1425 HA VAL 87 HA VAL 87 -20.894 23.897 4.643 1426 HB VAL 87 HB VAL 87 -21.598 25.103 6.686 1427 HG11 VAL 87 HG11 VAL 87 -21.711 26.674 4.093 1428 HG12 VAL 87 HG12 VAL 87 -20.271 26.310 5.044 1429 HG13 VAL 87 HG13 VAL 87 -21.498 27.402 5.686 1430 HG21 VAL 87 HG21 VAL 87 -24.038 25.658 4.986 1431 HG22 VAL 87 HG22 VAL 87 -23.607 26.666 6.367 1432 HG23 VAL 87 HG23 VAL 87 -23.978 24.957 6.603 1433 H ALA 88 H ALA 88 -24.414 23.536 4.997 1434 HA ALA 88 HA ALA 88 -24.621 21.868 7.149 1435 HB1 ALA 88 HB1 ALA 88 -26.532 20.760 5.877 1436 HB2 ALA 88 HB2 ALA 88 -26.088 21.784 4.511 1437 HB3 ALA 88 HB3 ALA 88 -26.617 22.515 6.027 1438 H THR 89 H THR 89 -23.606 20.978 3.878 1439 HA THR 89 HA THR 89 -23.424 18.177 4.371 1440 HB THR 89 HB THR 89 -22.173 18.090 2.282 1441 HG1 THR 89 HG1 THR 89 -20.831 19.758 2.269 1442 HG21 THR 89 HG21 THR 89 -24.603 18.395 2.131 1443 HG22 THR 89 HG22 THR 89 -23.802 19.267 0.823 1444 HG23 THR 89 HG23 THR 89 -24.401 20.145 2.231 1445 H MET 90 H MET 90 -21.180 20.884 4.689 1446 HA MET 90 HA MET 90 -18.761 19.615 5.011 1447 HB2 MET 90 HB2 MET 90 -19.264 22.113 5.160 1448 HB3 MET 90 HB3 MET 90 -19.685 21.826 6.848 1449 HG2 MET 90 HG2 MET 90 -17.460 20.963 7.312 1450 HG3 MET 90 HG3 MET 90 -17.024 21.073 5.606 1451 HE1 MET 90 HE1 MET 90 -17.468 24.375 8.712 1452 HE2 MET 90 HE2 MET 90 -16.730 22.793 8.963 1453 HE3 MET 90 HE3 MET 90 -18.449 22.913 8.589 1454 H LEU 91 H LEU 91 -21.452 19.788 7.270 1455 HA LEU 91 HA LEU 91 -20.057 18.659 9.496 1456 HB2 LEU 91 HB2 LEU 91 -23.035 18.490 9.043 1457 HB3 LEU 91 HB3 LEU 91 -22.163 18.575 10.572 1458 HG LEU 91 HG LEU 91 -22.337 20.787 8.503 1459 HD11 LEU 91 HD11 LEU 91 -23.554 20.473 11.264 1460 HD12 LEU 91 HD12 LEU 91 -24.430 20.481 9.733 1461 HD13 LEU 91 HD13 LEU 91 -23.623 21.945 10.293 1462 HD21 LEU 91 HD21 LEU 91 -21.278 22.099 10.447 1463 HD22 LEU 91 HD22 LEU 91 -20.218 20.995 9.571 1464 HD23 LEU 91 HD23 LEU 91 -20.877 20.528 11.138 1465 H LYS 92 H LYS 92 -22.410 17.305 7.179 1466 HA LYS 92 HA LYS 92 -22.226 14.654 8.129 1467 HB2 LYS 92 HB2 LYS 92 -24.124 15.201 6.827 1468 HB3 LYS 92 HB3 LYS 92 -23.147 15.891 5.540 1469 HG2 LYS 92 HG2 LYS 92 -24.113 13.690 4.927 1470 HG3 LYS 92 HG3 LYS 92 -22.360 13.675 4.883 1471 HD2 LYS 92 HD2 LYS 92 -23.283 11.650 5.969 1472 HD3 LYS 92 HD3 LYS 92 -22.293 12.581 7.084 1473 HE2 LYS 92 HE2 LYS 92 -24.617 11.708 7.895 1474 HE3 LYS 92 HE3 LYS 92 -24.167 13.366 8.281 1475 HZ1 LYS 92 HZ1 LYS 92 -26.353 13.411 7.425 1476 HZ2 LYS 92 HZ2 LYS 92 -25.940 12.436 6.097 1477 HZ3 LYS 92 HZ3 LYS 92 -25.351 14.025 6.201 1478 H GLN 93 H GLN 93 -20.783 16.150 5.228 1479 HA GLN 93 HA GLN 93 -19.306 14.110 4.219 1480 HB2 GLN 93 HB2 GLN 93 -18.452 16.995 4.543 1481 HB3 GLN 93 HB3 GLN 93 -17.635 15.828 3.504 1482 HG2 GLN 93 HG2 GLN 93 -20.585 16.477 3.283 1483 HG3 GLN 93 HG3 GLN 93 -19.341 17.275 2.322 1484 HE21 GLN 93 HE21 GLN 93 -21.438 14.597 2.374 1485 HE22 GLN 93 HE22 GLN 93 -20.684 13.678 1.163 1486 H ALA 94 H ALA 94 -18.645 15.875 7.181 1487 HA ALA 94 HA ALA 94 -15.968 15.004 7.545 1488 HB1 ALA 94 HB1 ALA 94 -17.973 15.695 9.704 1489 HB2 ALA 94 HB2 ALA 94 -17.076 16.897 8.776 1490 HB3 ALA 94 HB3 ALA 94 -16.214 15.765 9.818 1491 H ILE 95 H ILE 95 -18.921 13.916 9.239 1492 HA ILE 95 HA ILE 95 -17.756 11.601 10.356 1493 HB ILE 95 HB ILE 95 -20.667 12.062 9.657 1494 HG12 ILE 95 HG12 ILE 95 -19.225 12.653 12.255 1495 HG13 ILE 95 HG13 ILE 95 -19.572 13.881 11.037 1496 HG21 ILE 95 HG21 ILE 95 -21.006 10.522 11.612 1497 HG22 ILE 95 HG22 ILE 95 -19.265 10.240 11.633 1498 HG23 ILE 95 HG23 ILE 95 -20.221 9.747 10.236 1499 HD11 ILE 95 HD11 ILE 95 -21.328 13.860 12.764 1500 HD12 ILE 95 HD12 ILE 95 -21.629 12.151 12.446 1501 HD13 ILE 95 HD13 ILE 95 -21.985 13.355 11.207 1502 H HIS 96 H HIS 96 -18.874 12.309 7.179 1503 HA HIS 96 HA HIS 96 -19.501 9.665 6.333 1504 HB2 HIS 96 HB2 HIS 96 -20.176 11.811 5.172 1505 HB3 HIS 96 HB3 HIS 96 -18.515 11.931 4.590 1506 HD1 HIS 96 HD1 HIS 96 -18.492 8.606 4.423 1507 HD2 HIS 96 HD2 HIS 96 -20.952 11.296 2.399 1508 HE1 HIS 96 HE1 HIS 96 -19.324 7.400 2.361 1509 HE2 HIS 96 HE2 HIS 96 -20.822 9.026 1.113 1510 H HIS 97 H HIS 97 -16.608 11.693 5.783 1511 HA HIS 97 HA HIS 97 -15.103 9.611 4.559 1512 HB2 HIS 97 HB2 HIS 97 -14.624 12.048 4.295 1513 HB3 HIS 97 HB3 HIS 97 -14.067 12.084 5.968 1514 HD1 HIS 97 HD1 HIS 97 -13.127 10.864 2.555 1515 HD2 HIS 97 HD2 HIS 97 -11.581 10.733 6.425 1516 HE1 HIS 97 HE1 HIS 97 -10.734 10.068 2.342 1517 HE2 HIS 97 HE2 HIS 97 -9.776 9.980 4.692 1518 H ALA 98 H ALA 98 -16.053 10.102 7.742 1519 HA ALA 98 HA ALA 98 -13.715 8.930 9.017 1520 HB1 ALA 98 HB1 ALA 98 -15.197 10.654 10.114 1521 HB2 ALA 98 HB2 ALA 98 -14.934 9.194 11.069 1522 HB3 ALA 98 HB3 ALA 98 -16.454 9.419 10.203 1523 H ASN 99 H ASN 99 -16.934 7.952 7.982 1524 HA ASN 99 HA ASN 99 -16.168 5.164 8.035 1525 HB2 ASN 99 HB2 ASN 99 -16.877 5.660 10.407 1526 HB3 ASN 99 HB3 ASN 99 -18.481 6.038 9.779 1527 HD21 ASN 99 HD21 ASN 99 -18.357 3.922 11.552 1528 HD22 ASN 99 HD22 ASN 99 -18.531 2.447 10.731 1529 H HIS 100 H HIS 100 -16.893 4.524 6.104 1530 HA HIS 100 HA HIS 100 -18.944 5.867 4.687 1531 HB2 HIS 100 HB2 HIS 100 -17.583 3.204 4.249 1532 HB3 HIS 100 HB3 HIS 100 -18.762 3.878 3.124 1533 HD1 HIS 100 HD1 HIS 100 -17.877 6.871 3.333 1534 HD2 HIS 100 HD2 HIS 100 -15.270 3.672 2.737 1535 HE1 HIS 100 HE1 HIS 100 -15.806 7.831 2.242 1536 HE2 HIS 100 HE2 HIS 100 -14.208 5.894 1.865 1537 HA PRO 101 HA PRO 101 -22.803 4.092 6.071 1538 HB2 PRO 101 HB2 PRO 101 -22.955 3.074 3.229 1539 HB3 PRO 101 HB3 PRO 101 -24.236 3.790 4.225 1540 HG2 PRO 101 HG2 PRO 101 -22.960 5.245 2.398 1541 HG3 PRO 101 HG3 PRO 101 -23.407 5.942 3.960 1542 HD2 PRO 101 HD2 PRO 101 -20.704 5.176 2.954 1543 HD3 PRO 101 HD3 PRO 101 -21.148 6.371 4.190 1544 H LYS 102 H LYS 102 -22.401 2.408 7.447 1545 HA LYS 102 HA LYS 102 -21.145 -0.042 6.550 1546 HB2 LYS 102 HB2 LYS 102 -20.871 0.951 8.864 1547 HB3 LYS 102 HB3 LYS 102 -22.533 0.459 9.189 1548 HG2 LYS 102 HG2 LYS 102 -21.947 -1.881 8.673 1549 HG3 LYS 102 HG3 LYS 102 -20.286 -1.394 8.334 1550 HD2 LYS 102 HD2 LYS 102 -20.185 -0.472 10.694 1551 HD3 LYS 102 HD3 LYS 102 -21.740 -1.250 10.987 1552 HE2 LYS 102 HE2 LYS 102 -20.096 -2.813 11.730 1553 HE3 LYS 102 HE3 LYS 102 -20.648 -3.414 10.166 1554 HZ1 LYS 102 HZ1 LYS 102 -18.744 -2.309 9.134 1555 HZ2 LYS 102 HZ2 LYS 102 -18.257 -3.466 10.279 1556 HZ3 LYS 102 HZ3 LYS 102 -18.198 -1.813 10.663 1557 H GLU 103 H GLU 103 -22.274 -1.420 5.333 1558 HA GLU 103 HA GLU 103 -25.135 -1.551 5.350 1559 HB2 GLU 103 HB2 GLU 103 -23.590 -2.083 3.390 1560 HB3 GLU 103 HB3 GLU 103 -23.258 -3.617 4.195 1561 HG2 GLU 103 HG2 GLU 103 -25.675 -4.132 4.203 1562 HG3 GLU 103 HG3 GLU 103 -26.001 -2.604 3.387 Start of MODEL 9 1 H ASN 9 H ASN 9 -21.151 6.679 21.360 2 HA ASN 9 HA ASN 9 -22.137 7.221 18.856 3 HB2 ASN 9 HB2 ASN 9 -23.887 8.397 21.037 4 HB3 ASN 9 HB3 ASN 9 -23.929 8.854 19.335 5 HD21 ASN 9 HD21 ASN 9 -25.115 7.508 17.900 6 HD22 ASN 9 HD22 ASN 9 -25.904 6.087 18.391 7 H THR 10 H THR 10 -21.880 8.769 22.062 8 HA THR 10 HA THR 10 -20.823 11.205 21.377 9 HB THR 10 HB THR 10 -21.333 10.704 23.678 10 HG1 THR 10 HG1 THR 10 -18.810 10.930 24.329 11 HG21 THR 10 HG21 THR 10 -19.026 8.738 23.574 12 HG22 THR 10 HG22 THR 10 -20.730 8.287 23.557 13 HG23 THR 10 HG23 THR 10 -20.043 9.081 24.973 14 H ASP 11 H ASP 11 -19.421 8.148 20.846 15 HA ASP 11 HA ASP 11 -16.662 8.888 20.936 16 HB2 ASP 11 HB2 ASP 11 -17.990 6.642 19.400 17 HB3 ASP 11 HB3 ASP 11 -16.273 6.775 19.776 18 H THR 12 H THR 12 -18.820 8.223 18.165 19 HA THR 12 HA THR 12 -17.054 9.205 16.196 20 HB THR 12 HB THR 12 -20.077 9.142 16.064 21 HG1 THR 12 HG1 THR 12 -18.316 7.173 16.392 22 HG21 THR 12 HG21 THR 12 -19.554 8.727 13.626 23 HG22 THR 12 HG22 THR 12 -17.869 9.100 13.991 24 HG23 THR 12 HG23 THR 12 -19.110 10.334 14.202 25 H LEU 13 H LEU 13 -19.330 10.786 18.313 26 HA LEU 13 HA LEU 13 -19.781 13.172 16.984 27 HB2 LEU 13 HB2 LEU 13 -20.639 12.271 19.292 28 HB3 LEU 13 HB3 LEU 13 -19.263 13.138 19.952 29 HG LEU 13 HG LEU 13 -21.188 14.581 20.040 30 HD11 LEU 13 HD11 LEU 13 -20.309 16.501 18.986 31 HD12 LEU 13 HD12 LEU 13 -19.591 15.562 17.679 32 HD13 LEU 13 HD13 LEU 13 -18.910 15.480 19.306 33 HD21 LEU 13 HD21 LEU 13 -22.254 13.304 17.955 34 HD22 LEU 13 HD22 LEU 13 -21.559 14.657 17.065 35 HD23 LEU 13 HD23 LEU 13 -22.709 14.952 18.362 36 H GLU 14 H GLU 14 -17.340 12.795 19.572 37 HA GLU 14 HA GLU 14 -16.000 15.188 18.947 38 HB2 GLU 14 HB2 GLU 14 -14.952 12.744 20.396 39 HB3 GLU 14 HB3 GLU 14 -14.239 14.357 20.444 40 HG2 GLU 14 HG2 GLU 14 -16.466 15.203 21.310 41 HG3 GLU 14 HG3 GLU 14 -16.960 13.520 21.475 42 H ARG 15 H ARG 15 -15.842 12.071 17.474 43 HA ARG 15 HA ARG 15 -13.198 12.043 16.539 44 HB2 ARG 15 HB2 ARG 15 -14.909 10.173 16.375 45 HB3 ARG 15 HB3 ARG 15 -15.583 11.027 14.986 46 HG2 ARG 15 HG2 ARG 15 -13.439 10.907 13.824 47 HG3 ARG 15 HG3 ARG 15 -12.689 10.153 15.232 48 HD2 ARG 15 HD2 ARG 15 -15.005 8.977 13.667 49 HD3 ARG 15 HD3 ARG 15 -13.320 8.489 13.490 50 HE ARG 15 HE ARG 15 -15.103 7.729 15.615 51 HH11 ARG 15 HH21 ARG 15 -11.822 8.357 14.710 52 HH12 ARG 15 HH22 ARG 15 -11.143 7.352 15.946 53 HH21 ARG 15 HH11 ARG 15 -14.219 6.405 17.236 54 HH22 ARG 15 HH12 ARG 15 -12.500 6.249 17.378 55 H VAL 16 H VAL 16 -16.045 13.743 15.398 56 HA VAL 16 HA VAL 16 -15.111 14.522 12.858 57 HB VAL 16 HB VAL 16 -16.931 16.105 14.687 58 HG11 VAL 16 HG11 VAL 16 -16.557 15.976 11.682 59 HG12 VAL 16 HG12 VAL 16 -16.245 17.357 12.732 60 HG13 VAL 16 HG13 VAL 16 -17.899 16.804 12.471 61 HG21 VAL 16 HG21 VAL 16 -17.549 13.836 12.770 62 HG22 VAL 16 HG22 VAL 16 -18.760 14.843 13.563 63 HG23 VAL 16 HG23 VAL 16 -17.719 13.791 14.524 64 H THR 17 H THR 17 -14.694 15.955 16.064 65 HA THR 17 HA THR 17 -13.441 18.348 15.160 66 HB THR 17 HB THR 17 -12.966 18.772 17.446 67 HG1 THR 17 HG1 THR 17 -12.146 16.424 17.570 68 HG21 THR 17 HG21 THR 17 -15.412 18.568 16.786 69 HG22 THR 17 HG22 THR 17 -15.083 18.387 18.509 70 HG23 THR 17 HG23 THR 17 -15.392 16.962 17.515 71 H GLU 18 H GLU 18 -12.241 15.180 16.164 72 HA GLU 18 HA GLU 18 -9.511 15.746 16.308 73 HB2 GLU 18 HB2 GLU 18 -10.886 13.210 15.386 74 HB3 GLU 18 HB3 GLU 18 -9.184 13.333 15.829 75 HG2 GLU 18 HG2 GLU 18 -9.762 13.984 18.093 76 HG3 GLU 18 HG3 GLU 18 -11.472 14.069 17.675 77 H ILE 19 H ILE 19 -11.606 15.509 13.558 78 HA ILE 19 HA ILE 19 -9.590 14.979 11.600 79 HB ILE 19 HB ILE 19 -12.317 16.259 11.292 80 HG12 ILE 19 HG12 ILE 19 -11.429 13.403 10.791 81 HG13 ILE 19 HG13 ILE 19 -12.239 13.929 12.265 82 HG21 ILE 19 HG21 ILE 19 -10.970 16.777 9.362 83 HG22 ILE 19 HG22 ILE 19 -12.021 15.435 8.909 84 HG23 ILE 19 HG23 ILE 19 -10.328 15.135 9.302 85 HD11 ILE 19 HD11 ILE 19 -14.098 14.832 10.763 86 HD12 ILE 19 HD12 ILE 19 -13.961 13.077 10.841 87 HD13 ILE 19 HD13 ILE 19 -13.331 13.950 9.444 88 H PHE 20 H PHE 20 -11.112 17.940 12.834 89 HA PHE 20 HA PHE 20 -9.765 19.688 11.029 90 HB2 PHE 20 HB2 PHE 20 -11.181 20.146 13.660 91 HB3 PHE 20 HB3 PHE 20 -10.477 21.455 12.710 92 HD1 PHE 20 HD2 PHE 20 -11.376 22.040 10.497 93 HD2 PHE 20 HD1 PHE 20 -13.149 18.942 12.886 94 HE1 PHE 20 HE2 PHE 20 -13.391 22.083 9.054 95 HE2 PHE 20 HE1 PHE 20 -15.166 18.987 11.443 96 HZ PHE 20 HZ PHE 20 -15.289 20.556 9.530 97 H LYS 21 H LYS 21 -9.295 19.146 14.534 98 HA LYS 21 HA LYS 21 -7.052 20.694 14.918 99 HB2 LYS 21 HB2 LYS 21 -7.626 17.992 16.161 100 HB3 LYS 21 HB3 LYS 21 -6.501 19.193 16.795 101 HG2 LYS 21 HG2 LYS 21 -8.497 20.816 16.802 102 HG3 LYS 21 HG3 LYS 21 -9.509 19.392 16.562 103 HD2 LYS 21 HD2 LYS 21 -7.554 19.788 18.848 104 HD3 LYS 21 HD3 LYS 21 -9.306 19.961 18.962 105 HE2 LYS 21 HE2 LYS 21 -9.424 17.547 18.062 106 HE3 LYS 21 HE3 LYS 21 -7.705 17.454 18.442 107 HZ1 LYS 21 HZ1 LYS 21 -9.986 17.814 20.269 108 HZ2 LYS 21 HZ2 LYS 21 -8.437 18.350 20.719 109 HZ3 LYS 21 HZ3 LYS 21 -8.700 16.710 20.365 110 H ALA 22 H ALA 22 -7.215 17.376 13.691 111 HA ALA 22 HA ALA 22 -4.551 16.682 13.643 112 HB1 ALA 22 HB1 ALA 22 -5.146 15.376 11.543 113 HB2 ALA 22 HB2 ALA 22 -6.748 16.104 11.652 114 HB3 ALA 22 HB3 ALA 22 -6.162 15.065 12.950 115 H LEU 23 H LEU 23 -6.214 19.029 11.681 116 HA LEU 23 HA LEU 23 -4.214 19.244 9.641 117 HB2 LEU 23 HB2 LEU 23 -6.223 21.339 10.497 118 HB3 LEU 23 HB3 LEU 23 -5.401 21.228 8.944 119 HG LEU 23 HG LEU 23 -7.269 19.097 10.029 120 HD11 LEU 23 HD11 LEU 23 -8.957 19.997 8.542 121 HD12 LEU 23 HD12 LEU 23 -7.826 21.196 7.915 122 HD13 LEU 23 HD13 LEU 23 -8.388 21.302 9.584 123 HD21 LEU 23 HD21 LEU 23 -5.838 19.530 7.402 124 HD22 LEU 23 HD22 LEU 23 -7.281 18.522 7.507 125 HD23 LEU 23 HD23 LEU 23 -5.843 18.093 8.427 126 H GLY 24 H GLY 24 -5.164 21.839 11.886 127 HA2 GLY 24 HA2 GLY 24 -3.915 23.428 12.976 128 HA3 GLY 24 HA3 GLY 24 -2.775 22.119 13.271 129 H ASP 25 H ASP 25 -2.080 24.839 12.832 130 HA ASP 25 HA ASP 25 -0.560 26.109 11.674 131 HB2 ASP 25 HB2 ASP 25 0.225 23.514 10.336 132 HB3 ASP 25 HB3 ASP 25 1.220 24.952 10.555 133 H TYR 26 H TYR 26 -0.857 27.456 10.026 134 HA TYR 26 HA TYR 26 -2.747 26.830 7.947 135 HB2 TYR 26 HB2 TYR 26 -2.304 29.118 7.176 136 HB3 TYR 26 HB3 TYR 26 -2.583 29.093 8.917 137 HD1 TYR 26 HD1 TYR 26 0.034 29.274 6.288 138 HD2 TYR 26 HD2 TYR 26 -0.859 29.693 10.469 139 HE1 TYR 26 HE1 TYR 26 2.256 30.313 6.659 140 HE2 TYR 26 HE2 TYR 26 1.362 30.734 10.839 141 HH TYR 26 HH TYR 26 3.776 30.870 8.286 142 H ASN 27 H ASN 27 0.730 26.924 8.269 143 HA ASN 27 HA ASN 27 1.422 27.009 5.531 144 HB2 ASN 27 HB2 ASN 27 3.074 27.420 7.273 145 HB3 ASN 27 HB3 ASN 27 2.877 25.779 7.884 146 HD21 ASN 27 HD21 ASN 27 5.366 25.867 7.344 147 HD22 ASN 27 HD22 ASN 27 5.802 25.382 5.776 148 H ARG 28 H ARG 28 0.717 24.321 7.726 149 HA ARG 28 HA ARG 28 1.412 22.234 5.948 150 HB2 ARG 28 HB2 ARG 28 1.111 21.927 8.387 151 HB3 ARG 28 HB3 ARG 28 -0.619 22.207 8.195 152 HG2 ARG 28 HG2 ARG 28 -0.876 20.238 6.849 153 HG3 ARG 28 HG3 ARG 28 0.871 20.041 6.694 154 HD2 ARG 28 HD2 ARG 28 -0.626 19.911 9.327 155 HD3 ARG 28 HD3 ARG 28 -0.174 18.496 8.381 156 HE ARG 28 HE ARG 28 2.081 20.184 8.912 157 HH11 ARG 28 HH21 ARG 28 -0.049 17.802 10.240 158 HH12 ARG 28 HH22 ARG 28 1.115 17.192 11.369 159 HH21 ARG 28 HH11 ARG 28 3.613 19.388 10.389 160 HH22 ARG 28 HH12 ARG 28 3.187 18.090 11.453 161 H ILE 29 H ILE 29 -1.667 23.882 6.600 162 HA ILE 29 HA ILE 29 -3.277 22.260 4.946 163 HB ILE 29 HB ILE 29 -3.624 25.165 5.731 164 HG12 ILE 29 HG12 ILE 29 -4.882 22.667 6.900 165 HG13 ILE 29 HG13 ILE 29 -3.447 23.437 7.579 166 HG21 ILE 29 HG21 ILE 29 -5.506 23.137 4.495 167 HG22 ILE 29 HG22 ILE 29 -5.041 24.706 3.838 168 HG23 ILE 29 HG23 ILE 29 -6.061 24.619 5.273 169 HD11 ILE 29 HD11 ILE 29 -4.698 25.529 7.895 170 HD12 ILE 29 HD12 ILE 29 -5.518 24.200 8.713 171 HD13 ILE 29 HD13 ILE 29 -6.130 24.796 7.171 172 H ARG 30 H ARG 30 -0.947 24.685 4.185 173 HA ARG 30 HA ARG 30 -2.019 25.425 1.627 174 HB2 ARG 30 HB2 ARG 30 -0.421 26.842 2.923 175 HB3 ARG 30 HB3 ARG 30 0.833 25.638 2.625 176 HG2 ARG 30 HG2 ARG 30 0.628 25.959 0.216 177 HG3 ARG 30 HG3 ARG 30 -0.723 27.069 0.450 178 HD2 ARG 30 HD2 ARG 30 1.645 28.077 0.083 179 HD3 ARG 30 HD3 ARG 30 0.644 28.739 1.373 180 HE ARG 30 HE ARG 30 2.419 26.576 2.175 181 HH11 ARG 30 HH21 ARG 30 1.881 29.979 1.837 182 HH12 ARG 30 HH22 ARG 30 3.113 30.424 2.971 183 HH21 ARG 30 HH11 ARG 30 4.040 27.153 3.652 184 HH22 ARG 30 HH12 ARG 30 4.337 28.824 3.996 185 H ILE 31 H ILE 31 0.108 22.926 2.843 186 HA ILE 31 HA ILE 31 1.182 22.092 0.345 187 HB ILE 31 HB ILE 31 0.740 20.467 2.863 188 HG12 ILE 31 HG12 ILE 31 3.242 21.921 1.967 189 HG13 ILE 31 HG13 ILE 31 2.079 22.627 3.089 190 HG21 ILE 31 HG21 ILE 31 2.714 19.193 1.912 191 HG22 ILE 31 HG22 ILE 31 2.485 20.096 0.415 192 HG23 ILE 31 HG23 ILE 31 1.216 19.019 0.998 193 HD11 ILE 31 HD11 ILE 31 2.363 20.602 4.554 194 HD12 ILE 31 HD12 ILE 31 3.829 21.567 4.387 195 HD13 ILE 31 HD13 ILE 31 3.653 20.066 3.477 196 H MET 32 H MET 32 -1.704 21.223 2.181 197 HA MET 32 HA MET 32 -2.551 19.043 0.598 198 HB2 MET 32 HB2 MET 32 -3.456 19.745 2.865 199 HB3 MET 32 HB3 MET 32 -4.362 21.002 2.021 200 HG2 MET 32 HG2 MET 32 -5.855 19.150 2.194 201 HG3 MET 32 HG3 MET 32 -5.276 19.131 0.529 202 HE1 MET 32 HE1 MET 32 -5.368 16.600 -0.234 203 HE2 MET 32 HE2 MET 32 -6.566 16.859 1.034 204 HE3 MET 32 HE3 MET 32 -5.564 15.408 1.053 205 H GLU 33 H GLU 33 -2.838 22.511 0.214 206 HA GLU 33 HA GLU 33 -4.857 22.603 -1.740 207 HB2 GLU 33 HB2 GLU 33 -3.805 24.554 -0.481 208 HB3 GLU 33 HB3 GLU 33 -2.475 24.457 -1.636 209 HG2 GLU 33 HG2 GLU 33 -4.243 24.602 -3.474 210 HG3 GLU 33 HG3 GLU 33 -5.388 25.037 -2.207 211 H LEU 34 H LEU 34 -1.331 22.275 -2.059 212 HA LEU 34 HA LEU 34 -1.196 22.381 -4.852 213 HB2 LEU 34 HB2 LEU 34 0.813 22.534 -3.522 214 HB3 LEU 34 HB3 LEU 34 0.542 20.934 -2.841 215 HG LEU 34 HG LEU 34 0.943 19.880 -4.982 216 HD11 LEU 34 HD11 LEU 34 0.873 22.719 -6.008 217 HD12 LEU 34 HD12 LEU 34 -0.035 21.319 -6.581 218 HD13 LEU 34 HD13 LEU 34 1.689 21.445 -6.914 219 HD21 LEU 34 HD21 LEU 34 2.892 20.659 -3.564 220 HD22 LEU 34 HD22 LEU 34 3.027 22.047 -4.644 221 HD23 LEU 34 HD23 LEU 34 3.265 20.415 -5.271 222 H LEU 35 H LEU 35 -1.426 19.539 -2.708 223 HA LEU 35 HA LEU 35 -1.381 17.499 -4.539 224 HB2 LEU 35 HB2 LEU 35 -3.375 17.584 -2.271 225 HB3 LEU 35 HB3 LEU 35 -2.600 16.168 -2.977 226 HG LEU 35 HG LEU 35 -1.267 18.353 -1.357 227 HD11 LEU 35 HD11 LEU 35 -1.603 15.377 -0.884 228 HD12 LEU 35 HD12 LEU 35 -2.521 16.648 -0.075 229 HD13 LEU 35 HD13 LEU 35 -0.784 16.508 0.194 230 HD21 LEU 35 HD21 LEU 35 0.754 16.755 -1.633 231 HD22 LEU 35 HD22 LEU 35 0.348 17.795 -2.994 232 HD23 LEU 35 HD23 LEU 35 -0.127 16.096 -3.010 233 H SER 36 H SER 36 -4.074 19.666 -3.814 234 HA SER 36 HA SER 36 -6.079 18.302 -5.233 235 HB2 SER 36 HB2 SER 36 -6.461 20.208 -3.659 236 HB3 SER 36 HB3 SER 36 -5.816 21.297 -4.887 237 HG SER 36 HG SER 36 -7.489 20.766 -6.230 238 H VAL 37 H VAL 37 -4.285 21.203 -6.302 239 HA VAL 37 HA VAL 37 -5.149 21.281 -8.917 240 HB VAL 37 HB VAL 37 -2.366 21.929 -7.913 241 HG11 VAL 37 HG11 VAL 37 -3.911 22.692 -10.403 242 HG12 VAL 37 HG12 VAL 37 -2.350 21.875 -10.313 243 HG13 VAL 37 HG13 VAL 37 -2.485 23.572 -9.853 244 HG21 VAL 37 HG21 VAL 37 -4.734 23.780 -8.273 245 HG22 VAL 37 HG22 VAL 37 -3.202 24.131 -7.472 246 HG23 VAL 37 HG23 VAL 37 -4.349 23.015 -6.731 247 H SER 38 H SER 38 -2.314 19.529 -7.653 248 HA SER 38 HA SER 38 -2.626 17.419 -9.567 249 HB2 SER 38 HB2 SER 38 -1.581 19.295 -10.928 250 HB3 SER 38 HB3 SER 38 -0.153 19.120 -9.909 251 HG SER 38 HG SER 38 0.107 17.054 -10.630 252 H GLU 39 H GLU 39 -1.212 15.667 -9.186 253 HA GLU 39 HA GLU 39 -0.499 15.191 -6.539 254 HB2 GLU 39 HB2 GLU 39 0.601 13.944 -9.071 255 HB3 GLU 39 HB3 GLU 39 0.861 13.304 -7.448 256 HG2 GLU 39 HG2 GLU 39 -1.006 12.104 -8.339 257 HG3 GLU 39 HG3 GLU 39 -1.675 13.266 -7.194 258 H ALA 40 H ALA 40 1.768 14.663 -5.774 259 HA ALA 40 HA ALA 40 3.932 16.201 -6.943 260 HB1 ALA 40 HB1 ALA 40 4.288 17.679 -5.085 261 HB2 ALA 40 HB2 ALA 40 2.997 16.916 -4.157 262 HB3 ALA 40 HB3 ALA 40 2.608 17.869 -5.588 263 H SER 41 H SER 41 5.825 15.232 -6.535 264 HA SER 41 HA SER 41 5.876 12.841 -4.930 265 HB2 SER 41 HB2 SER 41 7.166 13.124 -7.062 266 HB3 SER 41 HB3 SER 41 8.196 14.287 -6.229 267 HG SER 41 HG SER 41 8.730 11.869 -6.304 268 H VAL 42 H VAL 42 7.813 12.533 -3.396 269 HA VAL 42 HA VAL 42 7.463 14.197 -1.173 270 HB VAL 42 HB VAL 42 8.285 11.940 -0.917 271 HG11 VAL 42 HG11 VAL 42 9.686 12.114 -3.109 272 HG12 VAL 42 HG12 VAL 42 10.308 11.130 -1.787 273 HG13 VAL 42 HG13 VAL 42 10.959 12.742 -2.062 274 HG21 VAL 42 HG21 VAL 42 10.516 13.812 -0.104 275 HG22 VAL 42 HG22 VAL 42 9.977 12.350 0.721 276 HG23 VAL 42 HG23 VAL 42 8.950 13.783 0.705 277 H GLY 43 H GLY 43 10.323 14.005 -3.321 278 HA2 GLY 43 HA2 GLY 43 11.619 16.245 -2.188 279 HA3 GLY 43 HA3 GLY 43 11.985 15.532 -3.755 280 H HIS 44 H HIS 44 9.493 15.911 -5.013 281 HA HIS 44 HA HIS 44 9.740 18.379 -6.187 282 HB2 HIS 44 HB2 HIS 44 8.303 16.628 -7.097 283 HB3 HIS 44 HB3 HIS 44 7.195 16.801 -5.737 284 HD1 HIS 44 HD1 HIS 44 6.383 19.503 -5.459 285 HD2 HIS 44 HD2 HIS 44 7.467 18.136 -9.246 286 HE1 HIS 44 HE1 HIS 44 5.363 21.117 -7.120 287 HE2 HIS 44 HE2 HIS 44 6.019 20.303 -9.435 288 H ILE 45 H ILE 45 8.211 17.587 -3.146 289 HA ILE 45 HA ILE 45 6.808 20.077 -2.877 290 HB ILE 45 HB ILE 45 7.520 17.908 -0.893 291 HG12 ILE 45 HG12 ILE 45 4.819 18.695 -2.006 292 HG13 ILE 45 HG13 ILE 45 5.849 17.505 -2.799 293 HG21 ILE 45 HG21 ILE 45 5.924 20.459 -0.563 294 HG22 ILE 45 HG22 ILE 45 7.287 19.905 0.410 295 HG23 ILE 45 HG23 ILE 45 5.735 19.074 0.514 296 HD11 ILE 45 HD11 ILE 45 4.244 16.400 -1.290 297 HD12 ILE 45 HD12 ILE 45 4.856 17.351 0.063 298 HD13 ILE 45 HD13 ILE 45 5.897 16.165 -0.723 299 H SER 46 H SER 46 9.986 18.865 -1.912 300 HA SER 46 HA SER 46 10.788 20.618 -0.002 301 HB2 SER 46 HB2 SER 46 12.159 18.797 -1.129 302 HB3 SER 46 HB3 SER 46 12.524 19.976 -2.388 303 HG SER 46 HG SER 46 14.101 20.379 -1.015 304 H HIS 47 H HIS 47 11.060 21.254 -3.508 305 HA HIS 47 HA HIS 47 11.923 23.939 -3.180 306 HB2 HIS 47 HB2 HIS 47 10.735 22.447 -5.525 307 HB3 HIS 47 HB3 HIS 47 11.275 24.124 -5.628 308 HD1 HIS 47 HD1 HIS 47 12.501 20.877 -6.296 309 HD2 HIS 47 HD2 HIS 47 14.154 24.220 -4.432 310 HE1 HIS 47 HE1 HIS 47 15.009 20.542 -6.319 311 HE2 HIS 47 HE2 HIS 47 16.034 22.573 -5.193 312 H GLN 48 H GLN 48 8.788 22.456 -3.126 313 HA GLN 48 HA GLN 48 7.241 24.702 -3.895 314 HB2 GLN 48 HB2 GLN 48 6.471 22.270 -3.670 315 HB3 GLN 48 HB3 GLN 48 6.348 22.583 -1.939 316 HG2 GLN 48 HG2 GLN 48 4.177 23.018 -2.827 317 HG3 GLN 48 HG3 GLN 48 4.903 24.598 -2.538 318 HE21 GLN 48 HE21 GLN 48 4.022 25.851 -4.228 319 HE22 GLN 48 HE22 GLN 48 4.155 25.450 -5.872 320 H LEU 49 H LEU 49 8.848 23.830 -0.937 321 HA LEU 49 HA LEU 49 8.383 26.434 0.168 322 HB2 LEU 49 HB2 LEU 49 6.247 25.084 0.670 323 HB3 LEU 49 HB3 LEU 49 7.250 24.134 1.756 324 HG LEU 49 HG LEU 49 7.952 26.524 2.701 325 HD11 LEU 49 HD11 LEU 49 6.178 28.170 2.587 326 HD12 LEU 49 HD12 LEU 49 5.165 27.078 1.646 327 HD13 LEU 49 HD13 LEU 49 6.631 27.751 0.938 328 HD21 LEU 49 HD21 LEU 49 5.975 26.419 4.268 329 HD22 LEU 49 HD22 LEU 49 6.860 24.903 4.101 330 HD23 LEU 49 HD23 LEU 49 5.326 25.125 3.259 331 H ASN 50 H ASN 50 10.727 25.238 -0.472 332 HA ASN 50 HA ASN 50 12.791 24.660 0.341 333 HB2 ASN 50 HB2 ASN 50 12.185 26.803 1.627 334 HB3 ASN 50 HB3 ASN 50 11.850 25.743 2.994 335 HD21 ASN 50 HD21 ASN 50 14.185 24.054 1.488 336 HD22 ASN 50 HD22 ASN 50 15.569 24.726 2.207 337 H LEU 51 H LEU 51 13.117 24.129 3.336 338 HA LEU 51 HA LEU 51 13.392 22.239 4.607 339 HB2 LEU 51 HB2 LEU 51 10.561 22.006 3.604 340 HB3 LEU 51 HB3 LEU 51 11.252 20.705 4.571 341 HG LEU 51 HG LEU 51 11.749 22.272 6.381 342 HD11 LEU 51 HD11 LEU 51 12.224 24.296 5.188 343 HD12 LEU 51 HD12 LEU 51 10.796 24.621 6.169 344 HD13 LEU 51 HD13 LEU 51 10.626 24.305 4.443 345 HD21 LEU 51 HD21 LEU 51 9.400 22.894 6.967 346 HD22 LEU 51 HD22 LEU 51 9.547 21.229 6.403 347 HD23 LEU 51 HD23 LEU 51 8.914 22.473 5.324 348 H SER 52 H SER 52 12.933 19.652 4.395 349 HA SER 52 HA SER 52 13.915 18.809 1.719 350 HB2 SER 52 HB2 SER 52 15.574 17.463 2.699 351 HB3 SER 52 HB3 SER 52 15.667 18.971 3.609 352 HG SER 52 HG SER 52 15.414 17.676 5.249 353 H GLN 53 H GLN 53 14.109 16.125 2.229 354 HA GLN 53 HA GLN 53 11.367 15.321 2.026 355 HB2 GLN 53 HB2 GLN 53 13.721 13.464 2.362 356 HB3 GLN 53 HB3 GLN 53 12.206 13.172 1.504 357 HG2 GLN 53 HG2 GLN 53 12.855 15.052 -0.067 358 HG3 GLN 53 HG3 GLN 53 14.440 15.054 0.704 359 HE21 GLN 53 HE21 GLN 53 15.258 12.528 0.917 360 HE22 GLN 53 HE22 GLN 53 15.172 11.681 -0.551 361 H SER 54 H SER 54 13.881 15.030 4.495 362 HA SER 54 HA SER 54 12.760 13.224 6.239 363 HB2 SER 54 HB2 SER 54 13.874 14.591 8.059 364 HB3 SER 54 HB3 SER 54 14.924 14.124 6.722 365 HG SER 54 HG SER 54 15.106 16.141 6.158 366 H ASN 55 H ASN 55 12.025 16.688 5.955 367 HA ASN 55 HA ASN 55 10.213 16.784 8.131 368 HB2 ASN 55 HB2 ASN 55 10.405 18.550 5.680 369 HB3 ASN 55 HB3 ASN 55 9.482 18.925 7.135 370 HD21 ASN 55 HD21 ASN 55 10.957 18.685 9.254 371 HD22 ASN 55 HD22 ASN 55 12.500 19.381 9.127 372 H VAL 56 H VAL 56 9.747 16.282 4.647 373 HA VAL 56 HA VAL 56 6.906 16.246 4.744 374 HB VAL 56 HB VAL 56 8.827 15.043 2.735 375 HG11 VAL 56 HG11 VAL 56 6.771 15.200 1.237 376 HG12 VAL 56 HG12 VAL 56 5.825 15.434 2.707 377 HG13 VAL 56 HG13 VAL 56 6.719 13.934 2.463 378 HG21 VAL 56 HG21 VAL 56 8.422 17.061 1.469 379 HG22 VAL 56 HG22 VAL 56 8.881 17.545 3.102 380 HG23 VAL 56 HG23 VAL 56 7.188 17.589 2.613 381 H SER 57 H SER 57 9.368 13.694 4.877 382 HA SER 57 HA SER 57 7.670 11.469 4.798 383 HB2 SER 57 HB2 SER 57 9.497 10.253 5.890 384 HB3 SER 57 HB3 SER 57 10.132 11.327 4.644 385 HG SER 57 HG SER 57 10.695 11.280 7.240 386 H HIS 58 H HIS 58 8.820 13.368 7.577 387 HA HIS 58 HA HIS 58 7.496 11.831 9.556 388 HB2 HIS 58 HB2 HIS 58 8.484 14.689 9.547 389 HB3 HIS 58 HB3 HIS 58 7.831 13.887 10.976 390 HD1 HIS 58 HD1 HIS 58 10.411 14.335 11.834 391 HD2 HIS 58 HD2 HIS 58 9.883 11.405 8.916 392 HE1 HIS 58 HE1 HIS 58 12.499 12.906 11.872 393 HE2 HIS 58 HE2 HIS 58 12.197 11.117 10.095 394 H GLN 59 H GLN 59 6.474 14.466 7.485 395 HA GLN 59 HA GLN 59 4.110 15.133 8.943 396 HB2 GLN 59 HB2 GLN 59 5.119 16.693 7.343 397 HB3 GLN 59 HB3 GLN 59 4.801 15.565 6.026 398 HG2 GLN 59 HG2 GLN 59 2.419 15.777 6.319 399 HG3 GLN 59 HG3 GLN 59 2.629 16.689 7.813 400 HE21 GLN 59 HE21 GLN 59 2.504 16.939 4.341 401 HE22 GLN 59 HE22 GLN 59 2.804 18.609 4.249 402 H LEU 60 H LEU 60 4.331 13.659 5.710 403 HA LEU 60 HA LEU 60 1.783 12.715 5.455 404 HB2 LEU 60 HB2 LEU 60 4.243 11.160 4.623 405 HB3 LEU 60 HB3 LEU 60 2.632 11.027 3.927 406 HG LEU 60 HG LEU 60 4.298 13.561 3.909 407 HD11 LEU 60 HD11 LEU 60 3.783 11.541 1.707 408 HD12 LEU 60 HD12 LEU 60 5.316 11.767 2.549 409 HD13 LEU 60 HD13 LEU 60 4.672 13.053 1.529 410 HD21 LEU 60 HD21 LEU 60 1.609 12.788 2.771 411 HD22 LEU 60 HD22 LEU 60 2.567 14.064 2.025 412 HD23 LEU 60 HD23 LEU 60 2.047 14.223 3.697 413 H LYS 61 H LYS 61 4.075 11.681 7.765 414 HA LYS 61 HA LYS 61 3.026 9.039 8.183 415 HB2 LYS 61 HB2 LYS 61 5.351 9.849 8.821 416 HB3 LYS 61 HB3 LYS 61 4.590 10.720 10.146 417 HG2 LYS 61 HG2 LYS 61 5.129 8.726 11.220 418 HG3 LYS 61 HG3 LYS 61 3.496 8.371 10.684 419 HD2 LYS 61 HD2 LYS 61 4.616 6.463 9.952 420 HD3 LYS 61 HD3 LYS 61 4.718 7.465 8.511 421 HE2 LYS 61 HE2 LYS 61 6.976 8.273 9.389 422 HE3 LYS 61 HE3 LYS 61 6.859 6.992 10.593 423 HZ1 LYS 61 HZ1 LYS 61 7.560 6.814 7.848 424 HZ2 LYS 61 HZ2 LYS 61 6.236 5.806 8.193 425 HZ3 LYS 61 HZ3 LYS 61 7.683 5.639 9.067 426 H LEU 62 H LEU 62 2.634 12.182 9.803 427 HA LEU 62 HA LEU 62 0.893 11.255 11.840 428 HB2 LEU 62 HB2 LEU 62 0.884 14.042 10.675 429 HB3 LEU 62 HB3 LEU 62 0.456 13.548 12.312 430 HG LEU 62 HG LEU 62 3.220 13.318 11.088 431 HD11 LEU 62 HD11 LEU 62 2.708 15.641 11.472 432 HD12 LEU 62 HD12 LEU 62 3.746 15.106 12.795 433 HD13 LEU 62 HD13 LEU 62 2.009 15.280 13.050 434 HD21 LEU 62 HD21 LEU 62 2.061 12.622 13.791 435 HD22 LEU 62 HD22 LEU 62 3.781 12.948 13.585 436 HD23 LEU 62 HD23 LEU 62 3.030 11.609 12.723 437 H LEU 63 H LEU 63 0.310 12.577 8.604 438 HA LEU 63 HA LEU 63 -2.524 12.676 8.832 439 HB2 LEU 63 HB2 LEU 63 -0.622 12.608 6.495 440 HB3 LEU 63 HB3 LEU 63 -2.362 12.597 6.247 441 HG LEU 63 HG LEU 63 -1.289 14.879 6.169 442 HD11 LEU 63 HD11 LEU 63 -3.105 15.948 7.116 443 HD12 LEU 63 HD12 LEU 63 -3.171 14.882 8.514 444 HD13 LEU 63 HD13 LEU 63 -3.750 14.321 6.947 445 HD21 LEU 63 HD21 LEU 63 -1.025 14.588 9.163 446 HD22 LEU 63 HD22 LEU 63 -0.427 15.891 8.137 447 HD23 LEU 63 HD23 LEU 63 0.321 14.298 8.059 448 H LYS 64 H LYS 64 -0.231 10.196 7.849 449 HA LYS 64 HA LYS 64 -1.866 8.324 6.659 450 HB2 LYS 64 HB2 LYS 64 0.632 8.161 7.065 451 HB3 LYS 64 HB3 LYS 64 0.250 7.625 8.702 452 HG2 LYS 64 HG2 LYS 64 -1.159 5.800 7.709 453 HG3 LYS 64 HG3 LYS 64 -0.587 6.287 6.113 454 HD2 LYS 64 HD2 LYS 64 1.771 5.940 6.946 455 HD3 LYS 64 HD3 LYS 64 1.086 5.251 8.418 456 HE2 LYS 64 HE2 LYS 64 1.645 3.468 6.815 457 HE3 LYS 64 HE3 LYS 64 -0.098 3.552 7.061 458 HZ1 LYS 64 HZ1 LYS 64 0.710 3.396 4.687 459 HZ2 LYS 64 HZ2 LYS 64 1.249 4.998 4.860 460 HZ3 LYS 64 HZ3 LYS 64 -0.402 4.635 5.025 461 H SER 65 H SER 65 -1.350 8.859 10.137 462 HA SER 65 HA SER 65 -2.865 6.754 11.145 463 HB2 SER 65 HB2 SER 65 -1.628 7.978 12.726 464 HB3 SER 65 HB3 SER 65 -2.280 9.521 12.176 465 HG SER 65 HG SER 65 -3.244 8.792 14.129 466 H VAL 66 H VAL 66 -3.933 10.077 10.401 467 HA VAL 66 HA VAL 66 -6.699 9.469 10.909 468 HB VAL 66 HB VAL 66 -5.479 11.830 9.454 469 HG11 VAL 66 HG11 VAL 66 -8.207 11.255 10.627 470 HG12 VAL 66 HG12 VAL 66 -7.815 11.748 8.980 471 HG13 VAL 66 HG13 VAL 66 -7.648 12.898 10.306 472 HG21 VAL 66 HG21 VAL 66 -4.539 11.780 11.651 473 HG22 VAL 66 HG22 VAL 66 -6.072 11.291 12.372 474 HG23 VAL 66 HG23 VAL 66 -5.879 12.923 11.733 475 H HIS 67 H HIS 67 -4.569 8.985 8.304 476 HA HIS 67 HA HIS 67 -4.855 8.209 6.166 477 HB2 HIS 67 HB2 HIS 67 -6.282 6.561 7.465 478 HB3 HIS 67 HB3 HIS 67 -7.679 7.541 7.016 479 HD1 HIS 67 HD1 HIS 67 -4.726 5.890 5.234 480 HD2 HIS 67 HD2 HIS 67 -8.756 6.751 4.604 481 HE1 HIS 67 HE1 HIS 67 -5.321 4.911 2.977 482 HE2 HIS 67 HE2 HIS 67 -7.773 5.434 2.573 483 H LEU 68 H LEU 68 -5.618 11.010 6.887 484 HA LEU 68 HA LEU 68 -7.891 11.750 5.354 485 HB2 LEU 68 HB2 LEU 68 -6.343 13.008 7.193 486 HB3 LEU 68 HB3 LEU 68 -5.677 13.734 5.741 487 HG LEU 68 HG LEU 68 -8.607 13.713 6.527 488 HD11 LEU 68 HD11 LEU 68 -8.262 16.133 6.863 489 HD12 LEU 68 HD12 LEU 68 -6.556 15.949 6.459 490 HD13 LEU 68 HD13 LEU 68 -7.203 15.195 7.917 491 HD21 LEU 68 HD21 LEU 68 -8.585 13.759 4.168 492 HD22 LEU 68 HD22 LEU 68 -7.122 14.744 4.108 493 HD23 LEU 68 HD23 LEU 68 -8.653 15.462 4.609 494 H VAL 69 H VAL 69 -4.804 10.704 4.484 495 HA VAL 69 HA VAL 69 -5.192 11.614 1.685 496 HB VAL 69 HB VAL 69 -2.776 11.906 1.479 497 HG11 VAL 69 HG11 VAL 69 -4.225 13.810 2.227 498 HG12 VAL 69 HG12 VAL 69 -2.560 13.940 2.796 499 HG13 VAL 69 HG13 VAL 69 -3.829 13.404 3.897 500 HG21 VAL 69 HG21 VAL 69 -1.441 11.915 3.656 501 HG22 VAL 69 HG22 VAL 69 -1.924 10.328 3.062 502 HG23 VAL 69 HG23 VAL 69 -2.808 11.078 4.390 503 H LYS 70 H LYS 70 -4.617 10.148 0.117 504 HA LYS 70 HA LYS 70 -3.974 7.388 1.026 505 HB2 LYS 70 HB2 LYS 70 -6.278 7.689 0.120 506 HB3 LYS 70 HB3 LYS 70 -5.572 8.243 -1.399 507 HG2 LYS 70 HG2 LYS 70 -4.517 6.121 -1.780 508 HG3 LYS 70 HG3 LYS 70 -4.892 5.572 -0.147 509 HD2 LYS 70 HD2 LYS 70 -6.461 4.569 -1.738 510 HD3 LYS 70 HD3 LYS 70 -7.314 5.697 -0.686 511 HE2 LYS 70 HE2 LYS 70 -7.494 7.330 -2.380 512 HE3 LYS 70 HE3 LYS 70 -6.216 6.596 -3.351 513 HZ1 LYS 70 HZ1 LYS 70 -8.132 5.930 -4.418 514 HZ2 LYS 70 HZ2 LYS 70 -8.999 5.707 -2.974 515 HZ3 LYS 70 HZ3 LYS 70 -7.799 4.593 -3.426 516 H ALA 71 H ALA 71 -2.740 6.100 -0.467 517 HA ALA 71 HA ALA 71 -1.433 7.332 -2.719 518 HB1 ALA 71 HB1 ALA 71 -0.137 8.316 -0.862 519 HB2 ALA 71 HB2 ALA 71 0.847 7.210 -1.820 520 HB3 ALA 71 HB3 ALA 71 0.213 6.697 -0.256 521 H LYS 72 H LYS 72 -0.240 5.837 -3.965 522 HA LYS 72 HA LYS 72 -0.090 3.049 -3.060 523 HB2 LYS 72 HB2 LYS 72 -1.140 2.370 -5.299 524 HB3 LYS 72 HB3 LYS 72 -2.237 2.969 -4.056 525 HG2 LYS 72 HG2 LYS 72 -2.219 5.197 -5.082 526 HG3 LYS 72 HG3 LYS 72 -1.069 4.644 -6.300 527 HD2 LYS 72 HD2 LYS 72 -2.711 3.001 -7.118 528 HD3 LYS 72 HD3 LYS 72 -3.859 3.526 -5.887 529 HE2 LYS 72 HE2 LYS 72 -3.986 5.740 -6.859 530 HE3 LYS 72 HE3 LYS 72 -2.686 5.365 -7.991 531 HZ1 LYS 72 HZ1 LYS 72 -4.174 4.542 -9.384 532 HZ2 LYS 72 HZ2 LYS 72 -5.427 4.918 -8.300 533 HZ3 LYS 72 HZ3 LYS 72 -4.667 3.400 -8.228 534 H ARG 73 H ARG 73 1.780 2.196 -3.678 535 HA ARG 73 HA ARG 73 3.728 3.700 -4.966 536 HB2 ARG 73 HB2 ARG 73 3.545 0.718 -4.512 537 HB3 ARG 73 HB3 ARG 73 4.994 1.530 -5.105 538 HG2 ARG 73 HG2 ARG 73 5.083 2.911 -3.087 539 HG3 ARG 73 HG3 ARG 73 3.584 2.191 -2.501 540 HD2 ARG 73 HD2 ARG 73 5.801 1.235 -1.583 541 HD3 ARG 73 HD3 ARG 73 4.593 0.085 -2.153 542 HE ARG 73 HE ARG 73 6.434 0.841 -4.225 543 HH11 ARG 73 HH21 ARG 73 5.939 -1.152 -1.440 544 HH12 ARG 73 HH22 ARG 73 7.054 -2.377 -1.947 545 HH21 ARG 73 HH11 ARG 73 7.905 -0.758 -4.892 546 HH22 ARG 73 HH12 ARG 73 8.167 -2.154 -3.901 547 H GLN 74 H GLN 74 4.792 3.476 -6.932 548 HA GLN 74 HA GLN 74 3.603 1.898 -9.081 549 HB2 GLN 74 HB2 GLN 74 3.673 4.922 -9.081 550 HB3 GLN 74 HB3 GLN 74 3.566 3.972 -10.563 551 HG2 GLN 74 HG2 GLN 74 1.529 2.847 -9.618 552 HG3 GLN 74 HG3 GLN 74 1.602 3.962 -8.255 553 HE21 GLN 74 HE21 GLN 74 -0.500 3.735 -10.419 554 HE22 GLN 74 HE22 GLN 74 -0.577 5.281 -11.118 555 H GLY 75 H GLY 75 5.657 0.846 -8.869 556 HA2 GLY 75 HA2 GLY 75 7.761 0.453 -9.815 557 HA3 GLY 75 HA3 GLY 75 7.782 2.110 -10.416 558 H GLN 76 H GLN 76 9.991 2.253 -9.583 559 HA GLN 76 HA GLN 76 10.533 1.964 -6.795 560 HB2 GLN 76 HB2 GLN 76 12.094 3.593 -8.812 561 HB3 GLN 76 HB3 GLN 76 12.690 2.894 -7.305 562 HG2 GLN 76 HG2 GLN 76 11.658 1.332 -9.692 563 HG3 GLN 76 HG3 GLN 76 13.351 1.511 -9.238 564 HE21 GLN 76 HE21 GLN 76 11.307 -0.885 -9.251 565 HE22 GLN 76 HE22 GLN 76 11.560 -1.594 -7.729 566 H SER 77 H SER 77 8.842 4.291 -8.531 567 HA SER 77 HA SER 77 9.521 6.539 -6.769 568 HB2 SER 77 HB2 SER 77 9.292 7.222 -9.011 569 HB3 SER 77 HB3 SER 77 7.860 6.226 -9.262 570 HG SER 77 HG SER 77 8.063 8.487 -7.560 571 H MET 78 H MET 78 8.438 6.883 -4.953 572 HA MET 78 HA MET 78 5.924 5.499 -4.411 573 HB2 MET 78 HB2 MET 78 7.633 7.341 -2.721 574 HB3 MET 78 HB3 MET 78 6.172 6.529 -2.159 575 HG2 MET 78 HG2 MET 78 7.181 4.343 -2.616 576 HG3 MET 78 HG3 MET 78 8.623 5.123 -3.262 577 HE1 MET 78 HE1 MET 78 9.425 3.173 -1.446 578 HE2 MET 78 HE2 MET 78 7.866 3.019 -0.636 579 HE3 MET 78 HE3 MET 78 9.313 3.387 0.302 580 H ILE 79 H ILE 79 4.447 6.520 -5.801 581 HA ILE 79 HA ILE 79 4.194 9.394 -5.834 582 HB ILE 79 HB ILE 79 3.759 7.995 -7.826 583 HG12 ILE 79 HG12 ILE 79 1.595 9.034 -8.463 584 HG13 ILE 79 HG13 ILE 79 1.342 9.509 -6.789 585 HG21 ILE 79 HG21 ILE 79 1.277 7.077 -6.358 586 HG22 ILE 79 HG22 ILE 79 2.745 6.107 -6.498 587 HG23 ILE 79 HG23 ILE 79 1.841 6.552 -7.944 588 HD11 ILE 79 HD11 ILE 79 3.010 11.128 -6.858 589 HD12 ILE 79 HD12 ILE 79 2.416 11.197 -8.513 590 HD13 ILE 79 HD13 ILE 79 3.900 10.321 -8.152 591 H TYR 80 H TYR 80 2.808 10.631 -4.740 592 HA TYR 80 HA TYR 80 0.890 9.352 -2.862 593 HB2 TYR 80 HB2 TYR 80 2.445 11.939 -2.627 594 HB3 TYR 80 HB3 TYR 80 1.175 11.434 -1.515 595 HD1 TYR 80 HD2 TYR 80 4.510 10.519 -2.882 596 HD2 TYR 80 HD1 TYR 80 1.586 9.804 0.182 597 HE1 TYR 80 HE2 TYR 80 6.160 9.159 -1.625 598 HE2 TYR 80 HE1 TYR 80 3.238 8.446 1.441 599 HH TYR 80 HH TYR 80 5.242 7.426 1.327 600 H SER 81 H SER 81 -1.148 10.288 -2.650 601 HA SER 81 HA SER 81 -1.885 12.585 -4.291 602 HB2 SER 81 HB2 SER 81 -3.475 11.462 -5.647 603 HB3 SER 81 HB3 SER 81 -2.010 10.486 -5.750 604 HG SER 81 HG SER 81 -3.594 9.063 -5.293 605 H LEU 82 H LEU 82 -4.466 12.705 -4.143 606 HA LEU 82 HA LEU 82 -5.057 12.762 -1.274 607 HB2 LEU 82 HB2 LEU 82 -7.178 13.936 -2.179 608 HB3 LEU 82 HB3 LEU 82 -5.651 14.794 -2.262 609 HG LEU 82 HG LEU 82 -6.388 13.090 -4.629 610 HD11 LEU 82 HD11 LEU 82 -8.496 14.181 -4.310 611 HD12 LEU 82 HD12 LEU 82 -7.650 15.053 -5.588 612 HD13 LEU 82 HD13 LEU 82 -7.713 15.722 -3.958 613 HD21 LEU 82 HD21 LEU 82 -5.146 14.690 -5.852 614 HD22 LEU 82 HD22 LEU 82 -4.245 14.509 -4.349 615 HD23 LEU 82 HD23 LEU 82 -5.290 15.905 -4.582 616 H ASP 83 H ASP 83 -7.492 12.281 -0.804 617 HA ASP 83 HA ASP 83 -7.873 9.491 -1.293 618 HB2 ASP 83 HB2 ASP 83 -8.580 10.476 0.813 619 HB3 ASP 83 HB3 ASP 83 -9.682 11.564 -0.030 620 H ASP 84 H ASP 84 -10.715 11.462 -1.520 621 HA ASP 84 HA ASP 84 -10.977 11.017 -4.421 622 HB2 ASP 84 HB2 ASP 84 -13.157 10.233 -2.485 623 HB3 ASP 84 HB3 ASP 84 -13.073 9.913 -4.216 624 H ILE 85 H ILE 85 -13.959 11.589 -3.712 625 HA ILE 85 HA ILE 85 -13.714 14.491 -4.016 626 HB ILE 85 HB ILE 85 -16.237 12.829 -4.007 627 HG12 ILE 85 HG12 ILE 85 -14.431 13.565 -6.332 628 HG13 ILE 85 HG13 ILE 85 -14.653 11.941 -5.683 629 HG21 ILE 85 HG21 ILE 85 -16.368 15.343 -3.780 630 HG22 ILE 85 HG22 ILE 85 -17.159 14.707 -5.222 631 HG23 ILE 85 HG23 ILE 85 -15.572 15.465 -5.348 632 HD11 ILE 85 HD11 ILE 85 -16.110 12.108 -7.579 633 HD12 ILE 85 HD12 ILE 85 -16.712 13.681 -7.059 634 HD13 ILE 85 HD13 ILE 85 -17.141 12.229 -6.154 635 H HIS 86 H HIS 86 -13.012 14.992 -1.870 636 HA HIS 86 HA HIS 86 -15.218 15.479 -0.071 637 HB2 HIS 86 HB2 HIS 86 -13.025 13.535 0.675 638 HB3 HIS 86 HB3 HIS 86 -14.048 14.339 1.864 639 HD1 HIS 86 HD1 HIS 86 -13.919 11.378 -0.199 640 HD2 HIS 86 HD2 HIS 86 -16.969 13.814 1.268 641 HE1 HIS 86 HE1 HIS 86 -16.059 10.040 -0.391 642 HE2 HIS 86 HE2 HIS 86 -17.928 11.508 0.500 643 H VAL 87 H VAL 87 -11.727 15.477 -0.609 644 HA VAL 87 HA VAL 87 -11.280 17.676 1.247 645 HB VAL 87 HB VAL 87 -8.940 17.514 0.483 646 HG11 VAL 87 HG11 VAL 87 -10.362 14.936 1.191 647 HG12 VAL 87 HG12 VAL 87 -9.546 16.052 2.286 648 HG13 VAL 87 HG13 VAL 87 -8.604 15.081 1.155 649 HG21 VAL 87 HG21 VAL 87 -9.290 16.962 -1.854 650 HG22 VAL 87 HG22 VAL 87 -10.107 15.460 -1.419 651 HG23 VAL 87 HG23 VAL 87 -8.381 15.647 -1.109 652 H ALA 88 H ALA 88 -11.727 17.176 -2.187 653 HA ALA 88 HA ALA 88 -10.703 19.622 -3.136 654 HB1 ALA 88 HB1 ALA 88 -12.896 17.832 -4.201 655 HB2 ALA 88 HB2 ALA 88 -11.203 17.859 -4.695 656 HB3 ALA 88 HB3 ALA 88 -12.255 19.221 -5.079 657 H THR 89 H THR 89 -14.108 18.728 -2.522 658 HA THR 89 HA THR 89 -15.156 21.316 -2.864 659 HB THR 89 HB THR 89 -16.631 19.417 -2.920 660 HG1 THR 89 HG1 THR 89 -18.058 20.054 -1.096 661 HG21 THR 89 HG21 THR 89 -17.017 18.018 -0.933 662 HG22 THR 89 HG22 THR 89 -15.827 18.957 -0.031 663 HG23 THR 89 HG23 THR 89 -15.318 17.971 -1.402 664 H MET 90 H MET 90 -13.639 19.757 -0.126 665 HA MET 90 HA MET 90 -14.518 21.252 2.011 666 HB2 MET 90 HB2 MET 90 -12.803 19.349 1.986 667 HB3 MET 90 HB3 MET 90 -11.601 20.584 1.611 668 HG2 MET 90 HG2 MET 90 -11.561 20.384 3.981 669 HG3 MET 90 HG3 MET 90 -12.492 21.846 3.662 670 HE1 MET 90 HE1 MET 90 -12.273 18.688 5.551 671 HE2 MET 90 HE2 MET 90 -12.770 17.985 4.012 672 HE3 MET 90 HE3 MET 90 -13.832 17.873 5.414 673 H LEU 91 H LEU 91 -11.515 22.014 0.229 674 HA LEU 91 HA LEU 91 -11.105 24.537 1.311 675 HB2 LEU 91 HB2 LEU 91 -10.332 23.290 -1.320 676 HB3 LEU 91 HB3 LEU 91 -9.908 24.964 -0.974 677 HG LEU 91 HG LEU 91 -8.745 24.252 1.079 678 HD11 LEU 91 HD11 LEU 91 -9.936 22.296 1.738 679 HD12 LEU 91 HD12 LEU 91 -8.329 21.730 1.282 680 HD13 LEU 91 HD13 LEU 91 -9.684 21.526 0.171 681 HD21 LEU 91 HD21 LEU 91 -7.613 24.324 -1.194 682 HD22 LEU 91 HD22 LEU 91 -7.838 22.577 -1.277 683 HD23 LEU 91 HD23 LEU 91 -6.833 23.276 -0.009 684 H LYS 92 H LYS 92 -13.086 23.607 -1.482 685 HA LYS 92 HA LYS 92 -13.644 26.243 -2.356 686 HB2 LYS 92 HB2 LYS 92 -15.245 23.695 -2.695 687 HB3 LYS 92 HB3 LYS 92 -15.529 25.194 -3.580 688 HG2 LYS 92 HG2 LYS 92 -13.214 25.090 -4.467 689 HG3 LYS 92 HG3 LYS 92 -12.970 23.564 -3.617 690 HD2 LYS 92 HD2 LYS 92 -14.751 22.512 -4.910 691 HD3 LYS 92 HD3 LYS 92 -15.125 24.046 -5.696 692 HE2 LYS 92 HE2 LYS 92 -12.383 22.784 -5.858 693 HE3 LYS 92 HE3 LYS 92 -13.654 22.423 -7.026 694 HZ1 LYS 92 HZ1 LYS 92 -12.558 24.185 -7.995 695 HZ2 LYS 92 HZ2 LYS 92 -12.272 24.974 -6.518 696 HZ3 LYS 92 HZ3 LYS 92 -13.830 24.972 -7.194 697 H GLN 93 H GLN 93 -16.041 24.025 -0.923 698 HA GLN 93 HA GLN 93 -18.001 25.754 -0.298 699 HB2 GLN 93 HB2 GLN 93 -17.020 23.509 1.480 700 HB3 GLN 93 HB3 GLN 93 -18.601 24.282 1.604 701 HG2 GLN 93 HG2 GLN 93 -19.178 23.566 -0.649 702 HG3 GLN 93 HG3 GLN 93 -17.560 22.906 -0.889 703 HE21 GLN 93 HE21 GLN 93 -16.949 21.214 0.958 704 HE22 GLN 93 HE22 GLN 93 -18.177 20.111 1.354 705 H ALA 94 H ALA 94 -14.915 25.567 1.310 706 HA ALA 94 HA ALA 94 -15.637 26.957 3.681 707 HB1 ALA 94 HB1 ALA 94 -13.578 25.557 3.391 708 HB2 ALA 94 HB2 ALA 94 -13.262 27.154 4.069 709 HB3 ALA 94 HB3 ALA 94 -12.912 26.833 2.371 710 H ILE 95 H ILE 95 -13.644 28.121 0.948 711 HA ILE 95 HA ILE 95 -13.853 30.835 1.759 712 HB ILE 95 HB ILE 95 -12.000 29.835 0.375 713 HG12 ILE 95 HG12 ILE 95 -13.340 32.224 -0.919 714 HG13 ILE 95 HG13 ILE 95 -12.454 32.312 0.606 715 HG21 ILE 95 HG21 ILE 95 -13.860 30.242 -1.968 716 HG22 ILE 95 HG22 ILE 95 -13.695 28.673 -1.181 717 HG23 ILE 95 HG23 ILE 95 -12.296 29.431 -1.938 718 HD11 ILE 95 HD11 ILE 95 -10.432 31.463 -0.507 719 HD12 ILE 95 HD12 ILE 95 -11.012 32.919 -1.313 720 HD13 ILE 95 HD13 ILE 95 -11.312 31.336 -2.029 721 H HIS 96 H HIS 96 -16.069 28.812 0.248 722 HA HIS 96 HA HIS 96 -17.349 30.668 -1.510 723 HB2 HIS 96 HB2 HIS 96 -18.200 28.089 -0.193 724 HB3 HIS 96 HB3 HIS 96 -19.334 29.034 -1.155 725 HD1 HIS 96 HD1 HIS 96 -19.235 26.808 -2.727 726 HD2 HIS 96 HD2 HIS 96 -15.837 29.220 -2.695 727 HE1 HIS 96 HE1 HIS 96 -17.901 26.189 -4.786 728 HE2 HIS 96 HE2 HIS 96 -15.815 27.636 -4.773 729 H HIS 97 H HIS 97 -18.052 29.588 1.813 730 HA HIS 97 HA HIS 97 -20.205 31.487 2.111 731 HB2 HIS 97 HB2 HIS 97 -20.059 29.220 3.250 732 HB3 HIS 97 HB3 HIS 97 -18.831 29.924 4.302 733 HD1 HIS 97 HD1 HIS 97 -22.456 30.455 3.292 734 HD2 HIS 97 HD2 HIS 97 -19.858 31.449 6.396 735 HE1 HIS 97 HE1 HIS 97 -23.867 31.567 5.076 736 HE2 HIS 97 HE2 HIS 97 -22.301 32.170 6.981 737 H ALA 98 H ALA 98 -16.858 31.714 2.266 738 HA ALA 98 HA ALA 98 -16.510 33.466 4.467 739 HB1 ALA 98 HB1 ALA 98 -14.363 34.054 3.337 740 HB2 ALA 98 HB2 ALA 98 -14.879 33.104 1.943 741 HB3 ALA 98 HB3 ALA 98 -14.610 32.315 3.496 742 H ASN 99 H ASN 99 -17.988 33.923 1.443 743 HA ASN 99 HA ASN 99 -18.618 36.642 1.982 744 HB2 ASN 99 HB2 ASN 99 -17.425 37.615 -0.004 745 HB3 ASN 99 HB3 ASN 99 -16.356 37.128 1.311 746 HD21 ASN 99 HD21 ASN 99 -14.822 37.144 -0.749 747 HD22 ASN 99 HD22 ASN 99 -14.683 35.660 -1.562 748 H HIS 100 H HIS 100 -19.486 37.674 -0.216 749 HA HIS 100 HA HIS 100 -20.573 35.754 -2.076 750 HB2 HIS 100 HB2 HIS 100 -22.356 37.131 -0.065 751 HB3 HIS 100 HB3 HIS 100 -22.955 36.402 -1.555 752 HD1 HIS 100 HD1 HIS 100 -22.095 33.762 -1.852 753 HD2 HIS 100 HD2 HIS 100 -22.247 35.318 2.013 754 HE1 HIS 100 HE1 HIS 100 -22.086 31.777 -0.281 755 HE2 HIS 100 HE2 HIS 100 -22.195 32.707 2.079 756 HA PRO 101 HA PRO 101 -20.123 39.448 -4.661 757 HB2 PRO 101 HB2 PRO 101 -22.680 38.329 -5.817 758 HB3 PRO 101 HB3 PRO 101 -21.289 39.035 -6.663 759 HG2 PRO 101 HG2 PRO 101 -21.573 36.402 -6.515 760 HG3 PRO 101 HG3 PRO 101 -19.977 37.145 -6.336 761 HD2 PRO 101 HD2 PRO 101 -21.720 35.906 -4.243 762 HD3 PRO 101 HD3 PRO 101 -19.952 36.045 -4.297 763 H LYS 102 H LYS 102 -23.567 38.696 -4.060 764 HA LYS 102 HA LYS 102 -25.317 39.993 -3.344 765 HB2 LYS 102 HB2 LYS 102 -23.101 41.357 -1.795 766 HB3 LYS 102 HB3 LYS 102 -24.826 41.602 -1.519 767 HG2 LYS 102 HG2 LYS 102 -24.980 39.060 -1.217 768 HG3 LYS 102 HG3 LYS 102 -23.219 39.070 -1.132 769 HD2 LYS 102 HD2 LYS 102 -25.054 40.695 0.656 770 HD3 LYS 102 HD3 LYS 102 -24.270 39.187 1.120 771 HE2 LYS 102 HE2 LYS 102 -22.816 40.824 1.972 772 HE3 LYS 102 HE3 LYS 102 -22.057 40.389 0.442 773 HZ1 LYS 102 HZ1 LYS 102 -22.181 42.529 -0.075 774 HZ2 LYS 102 HZ2 LYS 102 -23.162 42.879 1.267 775 HZ3 LYS 102 HZ3 LYS 102 -23.866 42.352 -0.186 776 H GLU 103 H GLU 103 -26.116 41.083 -5.047 777 HA GLU 103 HA GLU 103 -24.945 42.926 -6.692 778 HB2 GLU 103 HB2 GLU 103 -27.800 43.143 -5.715 779 HB3 GLU 103 HB3 GLU 103 -27.154 43.697 -7.260 780 HG2 GLU 103 HG2 GLU 103 -26.527 41.296 -7.751 781 HG3 GLU 103 HG3 GLU 103 -27.428 40.835 -6.307 782 H ASN 9 H ASN 9 -4.156 38.742 -0.402 783 HA ASN 9 HA ASN 9 -3.185 36.070 -1.218 784 HB2 ASN 9 HB2 ASN 9 -2.040 38.197 -1.979 785 HB3 ASN 9 HB3 ASN 9 -1.699 38.539 -0.284 786 HD21 ASN 9 HD21 ASN 9 -1.692 35.192 -0.681 787 HD22 ASN 9 HD22 ASN 9 -0.025 34.965 -0.908 788 H THR 10 H THR 10 -1.112 37.155 0.962 789 HA THR 10 HA THR 10 -1.661 35.312 2.955 790 HB THR 10 HB THR 10 -0.180 36.722 4.401 791 HG1 THR 10 HG1 THR 10 -1.029 38.696 3.312 792 HG21 THR 10 HG21 THR 10 1.785 36.605 2.845 793 HG22 THR 10 HG22 THR 10 0.666 36.250 1.529 794 HG23 THR 10 HG23 THR 10 0.828 35.124 2.877 795 H ASP 11 H ASP 11 -3.346 38.164 2.242 796 HA ASP 11 HA ASP 11 -4.266 38.775 4.902 797 HB2 ASP 11 HB2 ASP 11 -4.179 40.448 3.041 798 HB3 ASP 11 HB3 ASP 11 -5.486 39.571 2.248 799 H THR 12 H THR 12 -5.632 37.121 2.065 800 HA THR 12 HA THR 12 -8.118 36.481 3.305 801 HB THR 12 HB THR 12 -6.715 35.133 0.982 802 HG1 THR 12 HG1 THR 12 -7.612 37.547 1.185 803 HG21 THR 12 HG21 THR 12 -9.136 34.563 0.400 804 HG22 THR 12 HG22 THR 12 -9.544 35.043 2.048 805 HG23 THR 12 HG23 THR 12 -8.449 33.689 1.769 806 H LEU 13 H LEU 13 -5.250 34.482 2.584 807 HA LEU 13 HA LEU 13 -5.997 32.112 3.722 808 HB2 LEU 13 HB2 LEU 13 -3.727 33.013 2.613 809 HB3 LEU 13 HB3 LEU 13 -3.211 33.082 4.285 810 HG LEU 13 HG LEU 13 -2.557 30.950 3.439 811 HD11 LEU 13 HD11 LEU 13 -5.087 30.338 4.953 812 HD12 LEU 13 HD12 LEU 13 -3.705 31.117 5.730 813 HD13 LEU 13 HD13 LEU 13 -3.533 29.511 5.026 814 HD21 LEU 13 HD21 LEU 13 -5.357 30.111 2.744 815 HD22 LEU 13 HD22 LEU 13 -3.817 29.514 2.144 816 HD23 LEU 13 HD23 LEU 13 -4.436 31.059 1.579 817 H GLU 14 H GLU 14 -5.167 35.081 5.324 818 HA GLU 14 HA GLU 14 -4.765 34.037 7.947 819 HB2 GLU 14 HB2 GLU 14 -4.151 36.368 7.116 820 HB3 GLU 14 HB3 GLU 14 -5.858 36.776 7.288 821 HG2 GLU 14 HG2 GLU 14 -5.799 36.210 9.657 822 HG3 GLU 14 HG3 GLU 14 -4.130 35.660 9.516 823 H ARG 15 H ARG 15 -7.592 35.353 6.262 824 HA ARG 15 HA ARG 15 -9.377 35.050 8.461 825 HB2 ARG 15 HB2 ARG 15 -10.202 35.092 5.559 826 HB3 ARG 15 HB3 ARG 15 -11.098 35.677 6.960 827 HG2 ARG 15 HG2 ARG 15 -8.518 36.858 5.887 828 HG3 ARG 15 HG3 ARG 15 -10.125 37.559 5.712 829 HD2 ARG 15 HD2 ARG 15 -10.241 37.488 8.287 830 HD3 ARG 15 HD3 ARG 15 -8.501 37.213 8.234 831 HE ARG 15 HE ARG 15 -9.310 39.482 6.662 832 HH11 ARG 15 HH21 ARG 15 -8.524 38.305 9.822 833 HH12 ARG 15 HH22 ARG 15 -8.067 39.859 10.436 834 HH21 ARG 15 HH11 ARG 15 -8.716 41.521 7.463 835 HH22 ARG 15 HH12 ARG 15 -8.177 41.680 9.101 836 H VAL 16 H VAL 16 -8.576 33.000 5.694 837 HA VAL 16 HA VAL 16 -10.661 31.139 6.008 838 HB VAL 16 HB VAL 16 -7.902 30.658 4.864 839 HG11 VAL 16 HG11 VAL 16 -9.272 29.015 3.452 840 HG12 VAL 16 HG12 VAL 16 -10.562 29.237 4.635 841 HG13 VAL 16 HG13 VAL 16 -9.012 28.562 5.137 842 HG21 VAL 16 HG21 VAL 16 -8.916 32.581 3.786 843 HG22 VAL 16 HG22 VAL 16 -10.456 31.736 3.635 844 HG23 VAL 16 HG23 VAL 16 -9.061 31.202 2.698 845 H THR 17 H THR 17 -7.918 31.678 7.951 846 HA THR 17 HA THR 17 -7.806 28.936 8.987 847 HB THR 17 HB THR 17 -6.008 29.884 10.449 848 HG1 THR 17 HG1 THR 17 -5.474 31.955 10.269 849 HG21 THR 17 HG21 THR 17 -5.874 30.123 7.441 850 HG22 THR 17 HG22 THR 17 -5.237 28.841 8.472 851 HG23 THR 17 HG23 THR 17 -4.462 30.425 8.452 852 H GLU 18 H GLU 18 -8.913 32.149 9.907 853 HA GLU 18 HA GLU 18 -9.420 31.510 12.640 854 HB2 GLU 18 HB2 GLU 18 -10.421 33.741 10.862 855 HB3 GLU 18 HB3 GLU 18 -10.756 33.638 12.590 856 HG2 GLU 18 HG2 GLU 18 -8.407 33.754 13.124 857 HG3 GLU 18 HG3 GLU 18 -7.959 33.602 11.426 858 H ILE 19 H ILE 19 -11.220 31.097 9.690 859 HA ILE 19 HA ILE 19 -13.832 31.024 10.679 860 HB ILE 19 HB ILE 19 -13.137 30.935 8.258 861 HG12 ILE 19 HG12 ILE 19 -15.044 28.738 9.111 862 HG13 ILE 19 HG13 ILE 19 -15.460 30.451 9.091 863 HG21 ILE 19 HG21 ILE 19 -12.447 28.899 7.266 864 HG22 ILE 19 HG22 ILE 19 -12.901 27.952 8.683 865 HG23 ILE 19 HG23 ILE 19 -11.489 29.005 8.742 866 HD11 ILE 19 HD11 ILE 19 -16.184 29.287 7.014 867 HD12 ILE 19 HD12 ILE 19 -14.502 28.874 6.683 868 HD13 ILE 19 HD13 ILE 19 -15.012 30.562 6.687 869 H PHE 20 H PHE 20 -11.425 28.419 10.455 870 HA PHE 20 HA PHE 20 -13.150 26.416 11.537 871 HB2 PHE 20 HB2 PHE 20 -10.127 26.487 11.359 872 HB3 PHE 20 HB3 PHE 20 -11.105 25.058 11.693 873 HD1 PHE 20 HD1 PHE 20 -12.839 24.334 9.963 874 HD2 PHE 20 HD2 PHE 20 -9.753 27.202 9.125 875 HE1 PHE 20 HE1 PHE 20 -13.164 23.972 7.531 876 HE2 PHE 20 HE2 PHE 20 -10.079 26.841 6.693 877 HZ PHE 20 HZ PHE 20 -11.784 25.225 5.896 878 H LYS 21 H LYS 21 -10.348 28.150 12.924 879 HA LYS 21 HA LYS 21 -10.363 27.124 15.476 880 HB2 LYS 21 HB2 LYS 21 -8.699 28.752 14.653 881 HB3 LYS 21 HB3 LYS 21 -9.923 30.022 14.717 882 HG2 LYS 21 HG2 LYS 21 -10.080 29.897 17.089 883 HG3 LYS 21 HG3 LYS 21 -9.218 28.359 17.143 884 HD2 LYS 21 HD2 LYS 21 -7.791 30.290 17.831 885 HD3 LYS 21 HD3 LYS 21 -7.156 29.442 16.423 886 HE2 LYS 21 HE2 LYS 21 -7.876 31.144 14.936 887 HE3 LYS 21 HE3 LYS 21 -8.959 31.850 16.136 888 HZ1 LYS 21 HZ1 LYS 21 -6.965 33.165 15.922 889 HZ2 LYS 21 HZ2 LYS 21 -5.993 31.814 16.259 890 HZ3 LYS 21 HZ3 LYS 21 -7.014 32.447 17.460 891 H ALA 22 H ALA 22 -12.596 29.402 14.038 892 HA ALA 22 HA ALA 22 -13.802 30.526 16.259 893 HB1 ALA 22 HB1 ALA 22 -15.240 29.572 13.771 894 HB2 ALA 22 HB2 ALA 22 -14.330 31.080 13.882 895 HB3 ALA 22 HB3 ALA 22 -15.768 30.842 14.875 896 H LEU 23 H LEU 23 -14.092 27.274 15.000 897 HA LEU 23 HA LEU 23 -16.398 26.579 16.579 898 HB2 LEU 23 HB2 LEU 23 -14.406 25.006 14.947 899 HB3 LEU 23 HB3 LEU 23 -15.630 24.199 15.925 900 HG LEU 23 HG LEU 23 -17.413 25.300 14.719 901 HD11 LEU 23 HD11 LEU 23 -16.723 26.749 12.696 902 HD12 LEU 23 HD12 LEU 23 -15.145 26.861 13.473 903 HD13 LEU 23 HD13 LEU 23 -16.580 27.478 14.293 904 HD21 LEU 23 HD21 LEU 23 -15.308 24.296 12.778 905 HD22 LEU 23 HD22 LEU 23 -17.043 24.370 12.477 906 HD23 LEU 23 HD23 LEU 23 -16.407 23.272 13.701 907 H GLY 24 H GLY 24 -13.055 25.322 16.686 908 HA2 GLY 24 HA2 GLY 24 -11.816 24.481 18.437 909 HA3 GLY 24 HA3 GLY 24 -12.473 25.844 19.338 910 H ASP 25 H ASP 25 -14.136 25.521 20.784 911 HA ASP 25 HA ASP 25 -14.371 23.070 22.064 912 HB2 ASP 25 HB2 ASP 25 -16.568 25.140 22.011 913 HB3 ASP 25 HB3 ASP 25 -16.150 24.031 23.317 914 H TYR 26 H TYR 26 -15.954 21.457 22.096 915 HA TYR 26 HA TYR 26 -17.176 20.916 19.517 916 HB2 TYR 26 HB2 TYR 26 -17.871 18.779 20.653 917 HB3 TYR 26 HB3 TYR 26 -16.131 19.061 20.636 918 HD1 TYR 26 HD2 TYR 26 -19.188 19.176 22.729 919 HD2 TYR 26 HD1 TYR 26 -14.904 19.482 22.664 920 HE1 TYR 26 HE2 TYR 26 -19.143 19.064 25.206 921 HE2 TYR 26 HE1 TYR 26 -14.858 19.366 25.140 922 HH TYR 26 HH TYR 26 -16.441 19.873 27.033 923 H ASN 27 H ASN 27 -18.136 22.128 22.620 924 HA ASN 27 HA ASN 27 -20.852 21.483 22.666 925 HB2 ASN 27 HB2 ASN 27 -19.612 22.550 24.536 926 HB3 ASN 27 HB3 ASN 27 -19.569 24.055 23.620 927 HD21 ASN 27 HD21 ASN 27 -22.000 24.572 22.714 928 HD22 ASN 27 HD22 ASN 27 -23.201 24.471 23.909 929 H ARG 28 H ARG 28 -19.133 23.994 20.901 930 HA ARG 28 HA ARG 28 -21.451 25.440 20.071 931 HB2 ARG 28 HB2 ARG 28 -18.665 25.299 18.891 932 HB3 ARG 28 HB3 ARG 28 -19.908 26.450 18.400 933 HG2 ARG 28 HG2 ARG 28 -20.039 27.165 20.840 934 HG3 ARG 28 HG3 ARG 28 -18.583 26.206 21.111 935 HD2 ARG 28 HD2 ARG 28 -17.514 27.530 19.213 936 HD3 ARG 28 HD3 ARG 28 -18.910 28.602 19.293 937 HE ARG 28 HE ARG 28 -18.044 28.541 21.869 938 HH11 ARG 28 HH21 ARG 28 -16.520 29.076 18.811 939 HH12 ARG 28 HH22 ARG 28 -15.326 30.162 19.439 940 HH21 ARG 28 HH11 ARG 28 -16.480 29.962 22.703 941 HH22 ARG 28 HH12 ARG 28 -15.299 30.659 21.644 942 H ILE 29 H ILE 29 -19.791 22.603 18.922 943 HA ILE 29 HA ILE 29 -20.932 22.622 16.292 944 HB ILE 29 HB ILE 29 -19.792 20.259 17.797 945 HG12 ILE 29 HG12 ILE 29 -18.379 22.300 16.048 946 HG13 ILE 29 HG13 ILE 29 -18.236 22.202 17.803 947 HG21 ILE 29 HG21 ILE 29 -19.994 20.901 14.838 948 HG22 ILE 29 HG22 ILE 29 -21.039 19.773 15.702 949 HG23 ILE 29 HG23 ILE 29 -19.318 19.428 15.535 950 HD11 ILE 29 HD11 ILE 29 -17.475 19.791 17.478 951 HD12 ILE 29 HD12 ILE 29 -16.349 21.027 16.918 952 HD13 ILE 29 HD13 ILE 29 -17.351 20.157 15.757 953 H ARG 30 H ARG 30 -21.878 21.300 19.417 954 HA ARG 30 HA ARG 30 -23.848 19.499 18.485 955 HB2 ARG 30 HB2 ARG 30 -23.615 20.997 21.106 956 HB3 ARG 30 HB3 ARG 30 -24.750 19.681 20.802 957 HG2 ARG 30 HG2 ARG 30 -22.859 18.174 20.288 958 HG3 ARG 30 HG3 ARG 30 -21.729 19.490 20.602 959 HD2 ARG 30 HD2 ARG 30 -22.102 17.881 22.542 960 HD3 ARG 30 HD3 ARG 30 -22.337 19.588 22.911 961 HE ARG 30 HE ARG 30 -24.549 19.104 23.362 962 HH11 ARG 30 HH21 ARG 30 -23.165 16.669 21.332 963 HH12 ARG 30 HH22 ARG 30 -24.578 15.667 21.335 964 HH21 ARG 30 HH11 ARG 30 -26.401 17.791 23.382 965 HH22 ARG 30 HH12 ARG 30 -26.412 16.305 22.495 966 H ILE 31 H ILE 31 -23.849 22.957 19.042 967 HA ILE 31 HA ILE 31 -26.675 23.316 19.040 968 HB ILE 31 HB ILE 31 -24.432 25.236 18.365 969 HG12 ILE 31 HG12 ILE 31 -26.113 25.005 20.874 970 HG13 ILE 31 HG13 ILE 31 -24.539 24.229 20.696 971 HG21 ILE 31 HG21 ILE 31 -26.244 26.949 18.922 972 HG22 ILE 31 HG22 ILE 31 -27.407 25.632 18.765 973 HG23 ILE 31 HG23 ILE 31 -26.429 26.115 17.379 974 HD11 ILE 31 HD11 ILE 31 -25.121 27.200 20.521 975 HD12 ILE 31 HD12 ILE 31 -23.553 26.473 20.173 976 HD13 ILE 31 HD13 ILE 31 -24.228 26.376 21.799 977 H MET 32 H MET 32 -24.192 23.622 16.506 978 HA MET 32 HA MET 32 -25.731 24.477 14.387 979 HB2 MET 32 HB2 MET 32 -23.229 24.002 14.420 980 HB3 MET 32 HB3 MET 32 -23.640 22.313 14.127 981 HG2 MET 32 HG2 MET 32 -24.882 22.984 12.088 982 HG3 MET 32 HG3 MET 32 -24.418 24.663 12.372 983 HE1 MET 32 HE1 MET 32 -24.082 23.594 9.837 984 HE2 MET 32 HE2 MET 32 -23.548 21.922 10.005 985 HE3 MET 32 HE3 MET 32 -22.478 23.119 9.276 986 H GLU 33 H GLU 33 -25.398 21.182 15.649 987 HA GLU 33 HA GLU 33 -26.917 19.898 13.630 988 HB2 GLU 33 HB2 GLU 33 -26.495 19.084 16.517 989 HB3 GLU 33 HB3 GLU 33 -27.068 18.033 15.221 990 HG2 GLU 33 HG2 GLU 33 -24.924 18.586 13.976 991 HG3 GLU 33 HG3 GLU 33 -24.357 19.358 15.456 992 H LEU 34 H LEU 34 -27.798 21.154 16.839 993 HA LEU 34 HA LEU 34 -30.454 20.361 16.922 994 HB2 LEU 34 HB2 LEU 34 -29.389 21.358 18.846 995 HB3 LEU 34 HB3 LEU 34 -29.132 22.870 17.980 996 HG LEU 34 HG LEU 34 -31.517 23.305 17.908 997 HD11 LEU 34 HD11 LEU 34 -31.708 20.487 18.980 998 HD12 LEU 34 HD12 LEU 34 -32.532 21.194 17.589 999 HD13 LEU 34 HD13 LEU 34 -33.018 21.642 19.220 1000 HD21 LEU 34 HD21 LEU 34 -30.281 23.898 19.971 1001 HD22 LEU 34 HD22 LEU 34 -30.699 22.330 20.660 1002 HD23 LEU 34 HD23 LEU 34 -31.966 23.507 20.310 1003 H LEU 35 H LEU 35 -29.056 23.310 15.510 1004 HA LEU 35 HA LEU 35 -31.597 24.287 14.580 1005 HB2 LEU 35 HB2 LEU 35 -28.854 25.152 13.652 1006 HB3 LEU 35 HB3 LEU 35 -30.353 26.075 13.581 1007 HG LEU 35 HG LEU 35 -29.018 25.162 16.150 1008 HD11 LEU 35 HD11 LEU 35 -27.686 26.848 14.894 1009 HD12 LEU 35 HD12 LEU 35 -28.333 27.500 16.400 1010 HD13 LEU 35 HD13 LEU 35 -29.095 27.909 14.864 1011 HD21 LEU 35 HD21 LEU 35 -31.444 26.848 15.507 1012 HD22 LEU 35 HD22 LEU 35 -30.607 26.992 17.051 1013 HD23 LEU 35 HD23 LEU 35 -31.332 25.457 16.586 1014 H SER 36 H SER 36 -29.659 21.790 13.531 1015 HA SER 36 HA SER 36 -30.027 22.197 10.670 1016 HB2 SER 36 HB2 SER 36 -28.673 20.312 10.380 1017 HB3 SER 36 HB3 SER 36 -28.040 21.011 11.869 1018 HG SER 36 HG SER 36 -29.931 18.908 11.641 1019 H VAL 37 H VAL 37 -31.151 19.889 13.147 1020 HA VAL 37 HA VAL 37 -32.922 18.515 11.393 1021 HB VAL 37 HB VAL 37 -33.847 17.539 13.475 1022 HG11 VAL 37 HG11 VAL 37 -31.699 16.556 14.281 1023 HG12 VAL 37 HG12 VAL 37 -30.824 17.777 13.356 1024 HG13 VAL 37 HG13 VAL 37 -31.812 16.578 12.521 1025 HG21 VAL 37 HG21 VAL 37 -32.768 18.238 15.632 1026 HG22 VAL 37 HG22 VAL 37 -33.781 19.492 14.919 1027 HG23 VAL 37 HG23 VAL 37 -32.026 19.589 14.773 1028 H SER 38 H SER 38 -33.257 21.315 13.487 1029 HA SER 38 HA SER 38 -35.615 22.190 12.147 1030 HB2 SER 38 HB2 SER 38 -35.923 20.937 14.880 1031 HB3 SER 38 HB3 SER 38 -37.092 22.075 14.213 1032 HG SER 38 HG SER 38 -37.882 20.442 13.186 1033 H GLU 39 H GLU 39 -36.415 24.232 13.002 1034 HA GLU 39 HA GLU 39 -34.302 25.911 13.939 1035 HB2 GLU 39 HB2 GLU 39 -37.272 26.479 13.741 1036 HB3 GLU 39 HB3 GLU 39 -35.996 27.682 13.925 1037 HG2 GLU 39 HG2 GLU 39 -35.029 27.044 11.779 1038 HG3 GLU 39 HG3 GLU 39 -36.201 25.738 11.606 1039 H ALA 40 H ALA 40 -34.654 27.398 15.861 1040 HA ALA 40 HA ALA 40 -36.197 26.319 18.069 1041 HB1 ALA 40 HB1 ALA 40 -34.258 24.875 18.221 1042 HB2 ALA 40 HB2 ALA 40 -34.192 26.052 19.533 1043 HB3 ALA 40 HB3 ALA 40 -33.171 26.260 18.110 1044 H SER 41 H SER 41 -36.721 27.871 19.499 1045 HA SER 41 HA SER 41 -35.956 30.591 18.920 1046 HB2 SER 41 HB2 SER 41 -38.253 29.786 19.719 1047 HB3 SER 41 HB3 SER 41 -37.525 29.648 21.319 1048 HG SER 41 HG SER 41 -38.426 31.824 20.085 1049 H VAL 42 H VAL 42 -35.986 31.638 21.546 1050 HA VAL 42 HA VAL 42 -33.211 31.283 22.229 1051 HB VAL 42 HB VAL 42 -35.421 32.941 23.465 1052 HG11 VAL 42 HG11 VAL 42 -33.875 32.519 25.240 1053 HG12 VAL 42 HG12 VAL 42 -33.445 34.103 24.595 1054 HG13 VAL 42 HG13 VAL 42 -32.487 32.685 24.164 1055 HG21 VAL 42 HG21 VAL 42 -34.528 33.504 21.151 1056 HG22 VAL 42 HG22 VAL 42 -32.960 33.781 21.912 1057 HG23 VAL 42 HG23 VAL 42 -34.344 34.781 22.355 1058 H GLY 43 H GLY 43 -36.153 31.056 24.255 1059 HA2 GLY 43 HA2 GLY 43 -34.832 29.677 26.337 1060 HA3 GLY 43 HA3 GLY 43 -36.574 29.835 26.155 1061 H HIS 44 H HIS 44 -36.853 28.515 23.653 1062 HA HIS 44 HA HIS 44 -37.376 25.947 24.381 1063 HB2 HIS 44 HB2 HIS 44 -36.539 26.989 21.670 1064 HB3 HIS 44 HB3 HIS 44 -37.197 25.374 21.936 1065 HD1 HIS 44 HD1 HIS 44 -39.039 26.889 24.346 1066 HD2 HIS 44 HD2 HIS 44 -39.088 27.418 20.211 1067 HE1 HIS 44 HE1 HIS 44 -41.300 27.872 23.777 1068 HE2 HIS 44 HE2 HIS 44 -41.348 28.203 21.261 1069 H ILE 45 H ILE 45 -34.251 27.273 23.691 1070 HA ILE 45 HA ILE 45 -32.961 24.793 23.088 1071 HB ILE 45 HB ILE 45 -32.171 27.169 22.521 1072 HG12 ILE 45 HG12 ILE 45 -30.228 25.191 23.745 1073 HG13 ILE 45 HG13 ILE 45 -30.831 25.164 22.088 1074 HG21 ILE 45 HG21 ILE 45 -30.730 27.073 25.167 1075 HG22 ILE 45 HG22 ILE 45 -32.333 27.791 25.075 1076 HG23 ILE 45 HG23 ILE 45 -31.018 28.448 24.102 1077 HD11 ILE 45 HD11 ILE 45 -29.055 27.242 23.384 1078 HD12 ILE 45 HD12 ILE 45 -29.882 27.527 21.854 1079 HD13 ILE 45 HD13 ILE 45 -28.693 26.230 21.985 1080 H SER 46 H SER 46 -33.718 26.514 26.012 1081 HA SER 46 HA SER 46 -31.956 25.523 27.871 1082 HB2 SER 46 HB2 SER 46 -33.620 25.906 29.529 1083 HB3 SER 46 HB3 SER 46 -33.938 27.083 28.255 1084 HG SER 46 HG SER 46 -35.847 26.039 28.860 1085 H HIS 47 H HIS 47 -34.913 23.924 26.701 1086 HA HIS 47 HA HIS 47 -34.842 21.616 28.227 1087 HB2 HIS 47 HB2 HIS 47 -36.681 22.178 26.690 1088 HB3 HIS 47 HB3 HIS 47 -35.625 21.869 25.312 1089 HD1 HIS 47 HD1 HIS 47 -36.592 19.740 24.369 1090 HD2 HIS 47 HD2 HIS 47 -36.004 19.504 28.490 1091 HE1 HIS 47 HE1 HIS 47 -37.079 17.344 25.024 1092 HE2 HIS 47 HE2 HIS 47 -36.725 17.181 27.533 1093 H GLN 48 H GLN 48 -32.793 22.585 25.604 1094 HA GLN 48 HA GLN 48 -31.541 19.916 25.403 1095 HB2 GLN 48 HB2 GLN 48 -30.902 22.412 23.822 1096 HB3 GLN 48 HB3 GLN 48 -30.435 20.752 23.450 1097 HG2 GLN 48 HG2 GLN 48 -33.267 21.838 23.512 1098 HG3 GLN 48 HG3 GLN 48 -32.348 21.423 22.066 1099 HE21 GLN 48 HE21 GLN 48 -31.142 18.982 23.145 1100 HE22 GLN 48 HE22 GLN 48 -32.390 17.841 23.299 1101 H LEU 49 H LEU 49 -30.494 23.313 25.701 1102 HA LEU 49 HA LEU 49 -28.113 22.437 27.239 1103 HB2 LEU 49 HB2 LEU 49 -28.696 24.833 25.499 1104 HB3 LEU 49 HB3 LEU 49 -27.391 24.868 26.678 1105 HG LEU 49 HG LEU 49 -26.464 22.778 25.625 1106 HD11 LEU 49 HD11 LEU 49 -28.266 21.802 24.460 1107 HD12 LEU 49 HD12 LEU 49 -27.284 22.493 23.175 1108 HD13 LEU 49 HD13 LEU 49 -28.739 23.328 23.717 1109 HD21 LEU 49 HD21 LEU 49 -25.605 25.043 25.126 1110 HD22 LEU 49 HD22 LEU 49 -26.776 25.192 23.815 1111 HD23 LEU 49 HD23 LEU 49 -25.493 23.984 23.720 1112 H ASN 50 H ASN 50 -30.289 22.326 28.762 1113 HA ASN 50 HA ASN 50 -31.451 24.455 29.961 1114 HB2 ASN 50 HB2 ASN 50 -31.820 22.108 30.634 1115 HB3 ASN 50 HB3 ASN 50 -30.255 22.104 31.444 1116 HD21 ASN 50 HD21 ASN 50 -32.557 24.841 31.415 1117 HD22 ASN 50 HD22 ASN 50 -32.856 24.809 33.087 1118 H LEU 51 H LEU 51 -30.527 26.353 30.403 1119 HA LEU 51 HA LEU 51 -28.747 26.616 32.587 1120 HB2 LEU 51 HB2 LEU 51 -27.319 25.900 30.442 1121 HB3 LEU 51 HB3 LEU 51 -27.450 27.605 30.061 1122 HG LEU 51 HG LEU 51 -26.672 27.935 32.573 1123 HD11 LEU 51 HD11 LEU 51 -25.689 25.139 31.935 1124 HD12 LEU 51 HD12 LEU 51 -26.754 25.605 33.261 1125 HD13 LEU 51 HD13 LEU 51 -25.075 26.138 33.249 1126 HD21 LEU 51 HD21 LEU 51 -24.338 27.977 31.838 1127 HD22 LEU 51 HD22 LEU 51 -25.379 28.599 30.557 1128 HD23 LEU 51 HD23 LEU 51 -24.735 26.961 30.452 1129 H SER 52 H SER 52 -27.615 29.156 31.671 1130 HA SER 52 HA SER 52 -29.895 30.831 32.179 1131 HB2 SER 52 HB2 SER 52 -27.920 31.679 33.111 1132 HB3 SER 52 HB3 SER 52 -26.970 31.300 31.676 1133 HG SER 52 HG SER 52 -28.797 33.394 32.111 1134 H GLN 53 H GLN 53 -31.133 31.907 30.761 1135 HA GLN 53 HA GLN 53 -30.992 31.289 27.978 1136 HB2 GLN 53 HB2 GLN 53 -32.829 33.009 27.803 1137 HB3 GLN 53 HB3 GLN 53 -33.148 31.709 28.952 1138 HG2 GLN 53 HG2 GLN 53 -32.472 33.127 30.812 1139 HG3 GLN 53 HG3 GLN 53 -31.990 34.409 29.703 1140 HE21 GLN 53 HE21 GLN 53 -34.922 32.409 30.400 1141 HE22 GLN 53 HE22 GLN 53 -36.016 33.688 30.185 1142 H SER 54 H SER 54 -29.503 33.658 29.938 1143 HA SER 54 HA SER 54 -29.137 35.634 27.852 1144 HB2 SER 54 HB2 SER 54 -29.219 36.505 30.060 1145 HB3 SER 54 HB3 SER 54 -28.062 35.316 30.654 1146 HG SER 54 HG SER 54 -27.647 37.603 29.088 1147 H ASN 55 H ASN 55 -27.482 32.830 29.037 1148 HA ASN 55 HA ASN 55 -24.871 33.444 28.093 1149 HB2 ASN 55 HB2 ASN 55 -26.265 30.841 28.728 1150 HB3 ASN 55 HB3 ASN 55 -24.588 30.910 28.187 1151 HD21 ASN 55 HD21 ASN 55 -25.672 33.624 30.073 1152 HD22 ASN 55 HD22 ASN 55 -24.905 33.182 31.522 1153 H VAL 56 H VAL 56 -27.616 31.708 26.663 1154 HA VAL 56 HA VAL 56 -26.238 31.019 24.253 1155 HB VAL 56 HB VAL 56 -29.226 31.226 24.681 1156 HG11 VAL 56 HG11 VAL 56 -29.325 29.555 22.913 1157 HG12 VAL 56 HG12 VAL 56 -27.565 29.446 22.871 1158 HG13 VAL 56 HG13 VAL 56 -28.369 30.922 22.340 1159 HG21 VAL 56 HG21 VAL 56 -27.338 28.915 25.238 1160 HG22 VAL 56 HG22 VAL 56 -29.095 28.860 25.373 1161 HG23 VAL 56 HG23 VAL 56 -28.158 29.879 26.465 1162 H SER 57 H SER 57 -28.302 33.693 25.264 1163 HA SER 57 HA SER 57 -28.693 34.883 22.735 1164 HB2 SER 57 HB2 SER 57 -29.404 36.811 23.921 1165 HB3 SER 57 HB3 SER 57 -29.843 35.451 24.954 1166 HG SER 57 HG SER 57 -27.512 37.058 25.164 1167 H HIS 58 H HIS 58 -26.058 35.036 25.056 1168 HA HIS 58 HA HIS 58 -24.664 37.168 23.715 1169 HB2 HIS 58 HB2 HIS 58 -24.407 36.667 26.149 1170 HB3 HIS 58 HB3 HIS 58 -23.593 35.163 25.715 1171 HD1 HIS 58 HD1 HIS 58 -22.712 37.600 23.241 1172 HD2 HIS 58 HD2 HIS 58 -21.395 36.774 27.110 1173 HE1 HIS 58 HE1 HIS 58 -20.445 38.701 23.475 1174 HE2 HIS 58 HE2 HIS 58 -19.629 38.213 25.829 1175 H GLN 59 H GLN 59 -24.434 33.634 23.798 1176 HA GLN 59 HA GLN 59 -22.105 33.472 22.156 1177 HB2 GLN 59 HB2 GLN 59 -22.869 31.645 23.667 1178 HB3 GLN 59 HB3 GLN 59 -24.249 31.380 22.600 1179 HG2 GLN 59 HG2 GLN 59 -22.792 30.806 20.756 1180 HG3 GLN 59 HG3 GLN 59 -21.364 31.263 21.682 1181 HE21 GLN 59 HE21 GLN 59 -21.302 29.986 23.950 1182 HE22 GLN 59 HE22 GLN 59 -21.621 28.323 23.826 1183 H LEU 60 H LEU 60 -25.587 33.116 21.499 1184 HA LEU 60 HA LEU 60 -25.475 32.463 18.808 1185 HB2 LEU 60 HB2 LEU 60 -27.533 32.602 20.286 1186 HB3 LEU 60 HB3 LEU 60 -27.494 34.343 20.043 1187 HG LEU 60 HG LEU 60 -27.443 33.744 17.488 1188 HD11 LEU 60 HD11 LEU 60 -28.771 31.639 17.050 1189 HD12 LEU 60 HD12 LEU 60 -28.479 31.172 18.721 1190 HD13 LEU 60 HD13 LEU 60 -27.126 31.356 17.605 1191 HD21 LEU 60 HD21 LEU 60 -29.960 33.543 17.495 1192 HD22 LEU 60 HD22 LEU 60 -29.331 34.880 18.458 1193 HD23 LEU 60 HD23 LEU 60 -29.881 33.404 19.251 1194 H LYS 61 H LYS 61 -25.063 35.588 20.371 1195 HA LYS 61 HA LYS 61 -25.184 37.156 17.985 1196 HB2 LYS 61 HB2 LYS 61 -24.050 37.648 20.741 1197 HB3 LYS 61 HB3 LYS 61 -23.937 38.848 19.453 1198 HG2 LYS 61 HG2 LYS 61 -26.320 39.006 19.271 1199 HG3 LYS 61 HG3 LYS 61 -26.559 37.588 20.291 1200 HD2 LYS 61 HD2 LYS 61 -25.764 38.752 22.236 1201 HD3 LYS 61 HD3 LYS 61 -25.191 40.108 21.265 1202 HE2 LYS 61 HE2 LYS 61 -28.096 39.265 21.509 1203 HE3 LYS 61 HE3 LYS 61 -27.358 40.598 22.399 1204 HZ1 LYS 61 HZ1 LYS 61 -27.501 40.371 19.441 1205 HZ2 LYS 61 HZ2 LYS 61 -26.812 41.659 20.307 1206 HZ3 LYS 61 HZ3 LYS 61 -28.482 41.369 20.401 1207 H LEU 62 H LEU 62 -22.608 35.503 19.736 1208 HA LEU 62 HA LEU 62 -20.410 36.604 18.376 1209 HB2 LEU 62 HB2 LEU 62 -20.573 35.002 20.461 1210 HB3 LEU 62 HB3 LEU 62 -20.441 33.722 19.263 1211 HG LEU 62 HG LEU 62 -18.472 35.992 19.683 1212 HD11 LEU 62 HD11 LEU 62 -18.217 34.384 21.432 1213 HD12 LEU 62 HD12 LEU 62 -16.965 34.007 20.247 1214 HD13 LEU 62 HD13 LEU 62 -18.436 33.035 20.317 1215 HD21 LEU 62 HD21 LEU 62 -18.386 35.517 17.371 1216 HD22 LEU 62 HD22 LEU 62 -18.657 33.792 17.621 1217 HD23 LEU 62 HD23 LEU 62 -17.106 34.516 18.048 1218 H LEU 63 H LEU 63 -22.144 33.547 17.768 1219 HA LEU 63 HA LEU 63 -20.833 32.740 15.463 1220 HB2 LEU 63 HB2 LEU 63 -23.812 32.455 15.855 1221 HB3 LEU 63 HB3 LEU 63 -22.720 31.365 15.005 1222 HG LEU 63 HG LEU 63 -22.820 31.888 17.988 1223 HD11 LEU 63 HD11 LEU 63 -23.361 29.475 16.240 1224 HD12 LEU 63 HD12 LEU 63 -24.516 30.335 17.259 1225 HD13 LEU 63 HD13 LEU 63 -23.218 29.394 17.996 1226 HD21 LEU 63 HD21 LEU 63 -21.013 30.041 17.973 1227 HD22 LEU 63 HD22 LEU 63 -20.505 31.666 17.518 1228 HD23 LEU 63 HD23 LEU 63 -20.789 30.450 16.273 1229 H LYS 64 H LYS 64 -23.000 35.405 15.892 1230 HA LYS 64 HA LYS 64 -23.818 35.634 13.162 1231 HB2 LYS 64 HB2 LYS 64 -24.901 36.685 15.271 1232 HB3 LYS 64 HB3 LYS 64 -23.678 37.937 15.103 1233 HG2 LYS 64 HG2 LYS 64 -25.412 38.858 13.847 1234 HG3 LYS 64 HG3 LYS 64 -24.508 38.021 12.591 1235 HD2 LYS 64 HD2 LYS 64 -26.050 36.119 12.712 1236 HD3 LYS 64 HD3 LYS 64 -26.904 36.871 14.058 1237 HE2 LYS 64 HE2 LYS 64 -26.647 38.053 11.277 1238 HE3 LYS 64 HE3 LYS 64 -28.077 37.231 11.900 1239 HZ1 LYS 64 HZ1 LYS 64 -27.899 38.934 13.796 1240 HZ2 LYS 64 HZ2 LYS 64 -28.526 39.445 12.302 1241 HZ3 LYS 64 HZ3 LYS 64 -26.922 39.815 12.721 1242 H SER 65 H SER 65 -21.043 36.671 14.995 1243 HA SER 65 HA SER 65 -20.018 38.748 13.499 1244 HB2 SER 65 HB2 SER 65 -18.427 36.420 14.607 1245 HB3 SER 65 HB3 SER 65 -17.810 38.030 14.237 1246 HG SER 65 HG SER 65 -20.016 38.024 15.861 1247 H VAL 66 H VAL 66 -19.295 35.286 12.968 1248 HA VAL 66 HA VAL 66 -18.108 35.767 10.401 1249 HB VAL 66 HB VAL 66 -19.156 33.113 11.391 1250 HG11 VAL 66 HG11 VAL 66 -18.281 33.123 9.117 1251 HG12 VAL 66 HG12 VAL 66 -17.128 32.304 10.168 1252 HG13 VAL 66 HG13 VAL 66 -16.821 33.960 9.647 1253 HG21 VAL 66 HG21 VAL 66 -16.851 32.877 12.431 1254 HG22 VAL 66 HG22 VAL 66 -17.933 33.996 13.261 1255 HG23 VAL 66 HG23 VAL 66 -16.659 34.616 12.212 1256 H HIS 67 H HIS 67 -21.255 35.831 11.455 1257 HA HIS 67 HA HIS 67 -23.290 35.851 10.390 1258 HB2 HIS 67 HB2 HIS 67 -21.759 35.875 7.788 1259 HB3 HIS 67 HB3 HIS 67 -23.350 36.558 8.124 1260 HD1 HIS 67 HD1 HIS 67 -23.009 38.286 10.482 1261 HD2 HIS 67 HD2 HIS 67 -19.996 37.986 7.616 1262 HE1 HIS 67 HE1 HIS 67 -21.590 40.370 10.714 1263 HE2 HIS 67 HE2 HIS 67 -19.743 40.199 8.982 1264 H LEU 68 H LEU 68 -21.655 33.313 10.798 1265 HA LEU 68 HA LEU 68 -22.048 31.474 8.758 1266 HB2 LEU 68 HB2 LEU 68 -20.821 31.235 11.028 1267 HB3 LEU 68 HB3 LEU 68 -22.390 30.773 11.670 1268 HG LEU 68 HG LEU 68 -22.422 29.084 9.639 1269 HD11 LEU 68 HD11 LEU 68 -20.106 28.241 9.159 1270 HD12 LEU 68 HD12 LEU 68 -19.463 29.676 9.951 1271 HD13 LEU 68 HD13 LEU 68 -20.425 29.834 8.482 1272 HD21 LEU 68 HD21 LEU 68 -20.617 28.677 12.040 1273 HD22 LEU 68 HD22 LEU 68 -21.281 27.391 11.033 1274 HD23 LEU 68 HD23 LEU 68 -22.359 28.401 11.996 1275 H VAL 69 H VAL 69 -24.380 33.111 10.582 1276 HA VAL 69 HA VAL 69 -26.526 31.420 9.473 1277 HB VAL 69 HB VAL 69 -27.689 31.317 11.591 1278 HG11 VAL 69 HG11 VAL 69 -25.889 29.618 11.039 1279 HG12 VAL 69 HG12 VAL 69 -26.249 29.781 12.758 1280 HG13 VAL 69 HG13 VAL 69 -24.803 30.535 12.084 1281 HG21 VAL 69 HG21 VAL 69 -27.095 33.371 12.645 1282 HG22 VAL 69 HG22 VAL 69 -25.372 33.010 12.548 1283 HG23 VAL 69 HG23 VAL 69 -26.400 32.111 13.664 1284 H LYS 70 H LYS 70 -28.675 32.481 9.815 1285 HA LYS 70 HA LYS 70 -28.507 35.446 9.731 1286 HB2 LYS 70 HB2 LYS 70 -30.039 33.573 7.913 1287 HB3 LYS 70 HB3 LYS 70 -30.342 35.307 8.010 1288 HG2 LYS 70 HG2 LYS 70 -27.885 35.662 7.484 1289 HG3 LYS 70 HG3 LYS 70 -27.785 33.934 7.148 1290 HD2 LYS 70 HD2 LYS 70 -29.712 35.841 5.788 1291 HD3 LYS 70 HD3 LYS 70 -28.185 35.306 5.092 1292 HE2 LYS 70 HE2 LYS 70 -29.094 32.900 5.499 1293 HE3 LYS 70 HE3 LYS 70 -30.665 33.688 5.658 1294 HZ1 LYS 70 HZ1 LYS 70 -28.882 34.173 3.348 1295 HZ2 LYS 70 HZ2 LYS 70 -30.540 34.519 3.490 1296 HZ3 LYS 70 HZ3 LYS 70 -30.015 32.908 3.364 1297 H ALA 71 H ALA 71 -30.849 36.335 9.870 1298 HA ALA 71 HA ALA 71 -32.549 34.757 11.689 1299 HB1 ALA 71 HB1 ALA 71 -32.675 36.559 13.301 1300 HB2 ALA 71 HB2 ALA 71 -31.619 37.569 12.314 1301 HB3 ALA 71 HB3 ALA 71 -30.981 36.116 13.084 1302 H LYS 72 H LYS 72 -34.649 35.049 11.329 1303 HA LYS 72 HA LYS 72 -35.556 37.360 9.695 1304 HB2 LYS 72 HB2 LYS 72 -36.404 34.462 9.459 1305 HB3 LYS 72 HB3 LYS 72 -37.165 35.813 8.617 1306 HG2 LYS 72 HG2 LYS 72 -35.016 36.345 7.526 1307 HG3 LYS 72 HG3 LYS 72 -34.253 34.996 8.368 1308 HD2 LYS 72 HD2 LYS 72 -35.876 33.447 7.277 1309 HD3 LYS 72 HD3 LYS 72 -36.527 34.812 6.370 1310 HE2 LYS 72 HE2 LYS 72 -33.609 33.998 6.300 1311 HE3 LYS 72 HE3 LYS 72 -34.799 33.461 5.113 1312 HZ1 LYS 72 HZ1 LYS 72 -33.709 36.146 5.570 1313 HZ2 LYS 72 HZ2 LYS 72 -35.290 35.998 4.966 1314 HZ3 LYS 72 HZ3 LYS 72 -33.986 35.327 4.109 1315 H ARG 73 H ARG 73 -37.508 38.238 10.260 1316 HA ARG 73 HA ARG 73 -38.526 37.516 12.918 1317 HB2 ARG 73 HB2 ARG 73 -37.947 39.899 12.234 1318 HB3 ARG 73 HB3 ARG 73 -39.366 39.844 11.188 1319 HG2 ARG 73 HG2 ARG 73 -40.790 39.322 13.126 1320 HG3 ARG 73 HG3 ARG 73 -39.376 39.343 14.179 1321 HD2 ARG 73 HD2 ARG 73 -40.688 41.488 14.202 1322 HD3 ARG 73 HD3 ARG 73 -39.000 41.688 13.738 1323 HE ARG 73 HE ARG 73 -39.726 42.401 11.661 1324 HH11 ARG 73 HH21 ARG 73 -42.213 40.626 13.285 1325 HH12 ARG 73 HH22 ARG 73 -43.411 40.923 12.071 1326 HH21 ARG 73 HH11 ARG 73 -41.297 42.798 10.065 1327 HH22 ARG 73 HH12 ARG 73 -42.893 42.152 10.248 1328 H GLN 74 H GLN 74 -40.645 36.979 13.327 1329 HA GLN 74 HA GLN 74 -42.579 36.785 11.147 1330 HB2 GLN 74 HB2 GLN 74 -41.604 34.350 12.664 1331 HB3 GLN 74 HB3 GLN 74 -43.026 34.383 11.620 1332 HG2 GLN 74 HG2 GLN 74 -41.471 35.238 9.775 1333 HG3 GLN 74 HG3 GLN 74 -40.135 34.790 10.835 1334 HE21 GLN 74 HE21 GLN 74 -40.191 33.411 8.478 1335 HE22 GLN 74 HE22 GLN 74 -40.771 31.832 8.702 1336 H GLY 75 H GLY 75 -43.843 38.229 12.289 1337 HA2 GLY 75 HA2 GLY 75 -45.669 38.648 13.672 1338 HA3 GLY 75 HA3 GLY 75 -45.403 37.095 14.457 1339 H GLN 76 H GLN 76 -44.653 37.165 16.474 1340 HA GLN 76 HA GLN 76 -43.255 39.605 17.443 1341 HB2 GLN 76 HB2 GLN 76 -45.028 37.629 18.897 1342 HB3 GLN 76 HB3 GLN 76 -44.097 38.904 19.688 1343 HG2 GLN 76 HG2 GLN 76 -45.300 40.618 18.471 1344 HG3 GLN 76 HG3 GLN 76 -46.120 39.407 17.487 1345 HE21 GLN 76 HE21 GLN 76 -48.131 38.722 18.252 1346 HE22 GLN 76 HE22 GLN 76 -48.690 38.955 19.838 1347 H SER 77 H SER 77 -43.218 36.130 17.170 1348 HA SER 77 HA SER 77 -40.940 35.798 18.949 1349 HB2 SER 77 HB2 SER 77 -42.782 34.085 18.662 1350 HB3 SER 77 HB3 SER 77 -42.133 33.770 17.053 1351 HG SER 77 HG SER 77 -40.574 33.680 19.414 1352 H MET 78 H MET 78 -38.856 35.367 18.349 1353 HA MET 78 HA MET 78 -38.101 36.084 15.597 1354 HB2 MET 78 HB2 MET 78 -35.754 35.988 16.689 1355 HB3 MET 78 HB3 MET 78 -36.829 37.307 17.139 1356 HG2 MET 78 HG2 MET 78 -36.809 34.757 18.748 1357 HG3 MET 78 HG3 MET 78 -35.605 36.012 19.033 1358 HE1 MET 78 HE1 MET 78 -36.237 36.373 21.395 1359 HE2 MET 78 HE2 MET 78 -37.475 35.119 21.345 1360 HE3 MET 78 HE3 MET 78 -37.854 36.704 22.018 1361 H ILE 79 H ILE 79 -37.726 34.551 14.162 1362 HA ILE 79 HA ILE 79 -37.161 31.783 15.038 1363 HB ILE 79 HB ILE 79 -37.815 32.737 12.251 1364 HG12 ILE 79 HG12 ILE 79 -39.649 33.481 13.628 1365 HG13 ILE 79 HG13 ILE 79 -40.164 32.009 12.807 1366 HG21 ILE 79 HG21 ILE 79 -36.837 30.448 12.607 1367 HG22 ILE 79 HG22 ILE 79 -38.453 30.429 11.903 1368 HG23 ILE 79 HG23 ILE 79 -38.232 30.064 13.614 1369 HD11 ILE 79 HD11 ILE 79 -40.848 31.699 15.054 1370 HD12 ILE 79 HD12 ILE 79 -39.342 32.357 15.692 1371 HD13 ILE 79 HD13 ILE 79 -39.357 30.768 14.928 1372 H TYR 80 H TYR 80 -35.414 30.630 14.201 1373 HA TYR 80 HA TYR 80 -33.368 32.116 12.661 1374 HB2 TYR 80 HB2 TYR 80 -32.784 30.448 15.119 1375 HB3 TYR 80 HB3 TYR 80 -31.623 31.360 14.153 1376 HD1 TYR 80 HD1 TYR 80 -31.623 33.831 14.182 1377 HD2 TYR 80 HD2 TYR 80 -34.264 31.552 16.688 1378 HE1 TYR 80 HE1 TYR 80 -32.049 35.846 15.564 1379 HE2 TYR 80 HE2 TYR 80 -34.691 33.567 18.070 1380 HH TYR 80 HH TYR 80 -32.850 36.097 18.234 1381 H SER 81 H SER 81 -31.912 30.781 11.507 1382 HA SER 81 HA SER 81 -32.252 27.908 11.498 1383 HB2 SER 81 HB2 SER 81 -34.175 28.827 10.104 1384 HB3 SER 81 HB3 SER 81 -32.954 29.394 8.964 1385 HG SER 81 HG SER 81 -33.688 27.326 8.401 1386 H LEU 82 H LEU 82 -31.112 27.181 9.211 1387 HA LEU 82 HA LEU 82 -28.375 27.820 9.601 1388 HB2 LEU 82 HB2 LEU 82 -29.531 26.529 7.129 1389 HB3 LEU 82 HB3 LEU 82 -27.929 26.302 7.827 1390 HG LEU 82 HG LEU 82 -30.546 25.474 9.120 1391 HD11 LEU 82 HD11 LEU 82 -29.706 24.158 7.088 1392 HD12 LEU 82 HD12 LEU 82 -29.958 23.234 8.568 1393 HD13 LEU 82 HD13 LEU 82 -28.326 23.702 8.088 1394 HD21 LEU 82 HD21 LEU 82 -28.873 24.238 10.649 1395 HD22 LEU 82 HD22 LEU 82 -29.036 25.975 10.880 1396 HD23 LEU 82 HD23 LEU 82 -27.655 25.331 9.992 1397 H ASP 83 H ASP 83 -27.405 27.940 6.968 1398 HA ASP 83 HA ASP 83 -28.485 30.118 5.493 1399 HB2 ASP 83 HB2 ASP 83 -27.719 31.430 7.411 1400 HB3 ASP 83 HB3 ASP 83 -26.109 30.728 7.268 1401 H ASP 84 H ASP 84 -27.850 29.735 3.495 1402 HA ASP 84 HA ASP 84 -26.524 29.310 1.687 1403 HB2 ASP 84 HB2 ASP 84 -24.713 30.428 3.204 1404 HB3 ASP 84 HB3 ASP 84 -24.134 28.783 3.446 1405 H ILE 85 H ILE 85 -26.396 27.493 0.542 1406 HA ILE 85 HA ILE 85 -26.751 24.945 1.915 1407 HB ILE 85 HB ILE 85 -26.928 24.109 -0.498 1408 HG12 ILE 85 HG12 ILE 85 -27.122 27.070 -1.095 1409 HG13 ILE 85 HG13 ILE 85 -25.649 26.141 -1.377 1410 HG21 ILE 85 HG21 ILE 85 -28.777 26.248 0.590 1411 HG22 ILE 85 HG22 ILE 85 -28.929 24.502 0.789 1412 HG23 ILE 85 HG23 ILE 85 -29.175 25.233 -0.796 1413 HD11 ILE 85 HD11 ILE 85 -27.054 26.287 -3.420 1414 HD12 ILE 85 HD12 ILE 85 -28.369 25.492 -2.554 1415 HD13 ILE 85 HD13 ILE 85 -26.868 24.621 -2.870 1416 H HIS 86 H HIS 86 -24.456 25.362 2.799 1417 HA HIS 86 HA HIS 86 -22.623 23.694 1.252 1418 HB2 HIS 86 HB2 HIS 86 -21.980 26.540 2.055 1419 HB3 HIS 86 HB3 HIS 86 -20.760 25.353 1.594 1420 HD1 HIS 86 HD1 HIS 86 -22.396 28.035 0.108 1421 HD2 HIS 86 HD2 HIS 86 -21.891 24.074 -1.092 1422 HE1 HIS 86 HE1 HIS 86 -22.731 28.000 -2.401 1423 HE2 HIS 86 HE2 HIS 86 -22.429 25.592 -3.150 1424 H VAL 87 H VAL 87 -23.431 25.455 4.184 1425 HA VAL 87 HA VAL 87 -21.399 24.345 5.830 1426 HB VAL 87 HB VAL 87 -22.665 25.236 7.679 1427 HG11 VAL 87 HG11 VAL 87 -23.170 27.085 5.337 1428 HG12 VAL 87 HG12 VAL 87 -21.555 26.802 5.990 1429 HG13 VAL 87 HG13 VAL 87 -22.804 27.525 7.004 1430 HG21 VAL 87 HG21 VAL 87 -24.881 24.476 7.273 1431 HG22 VAL 87 HG22 VAL 87 -24.936 25.238 5.684 1432 HG23 VAL 87 HG23 VAL 87 -24.979 26.230 7.140 1433 H ALA 88 H ALA 88 -24.787 23.446 5.243 1434 HA ALA 88 HA ALA 88 -24.990 21.359 7.079 1435 HB1 ALA 88 HB1 ALA 88 -26.845 22.381 5.686 1436 HB2 ALA 88 HB2 ALA 88 -26.891 20.624 5.835 1437 HB3 ALA 88 HB3 ALA 88 -26.291 21.368 4.353 1438 H THR 89 H THR 89 -23.734 21.349 3.770 1439 HA THR 89 HA THR 89 -23.427 18.541 3.543 1440 HB THR 89 HB THR 89 -21.907 19.095 1.663 1441 HG1 THR 89 HG1 THR 89 -21.622 21.320 3.071 1442 HG21 THR 89 HG21 THR 89 -23.569 20.238 0.310 1443 HG22 THR 89 HG22 THR 89 -24.349 20.891 1.752 1444 HG23 THR 89 HG23 THR 89 -24.405 19.158 1.427 1445 H MET 90 H MET 90 -21.143 21.114 4.453 1446 HA MET 90 HA MET 90 -18.798 19.747 4.685 1447 HB2 MET 90 HB2 MET 90 -19.079 22.157 5.189 1448 HB3 MET 90 HB3 MET 90 -19.853 21.731 6.717 1449 HG2 MET 90 HG2 MET 90 -17.828 20.621 7.487 1450 HG3 MET 90 HG3 MET 90 -17.054 20.876 5.923 1451 HE1 MET 90 HE1 MET 90 -16.909 23.077 4.810 1452 HE2 MET 90 HE2 MET 90 -15.361 22.871 5.629 1453 HE3 MET 90 HE3 MET 90 -16.164 24.440 5.648 1454 H LEU 91 H LEU 91 -21.368 19.870 7.148 1455 HA LEU 91 HA LEU 91 -20.070 18.317 9.086 1456 HB2 LEU 91 HB2 LEU 91 -22.185 19.687 9.372 1457 HB3 LEU 91 HB3 LEU 91 -23.046 18.384 8.564 1458 HG LEU 91 HG LEU 91 -21.954 16.841 10.367 1459 HD11 LEU 91 HD11 LEU 91 -20.381 18.351 11.384 1460 HD12 LEU 91 HD12 LEU 91 -21.667 18.091 12.553 1461 HD13 LEU 91 HD13 LEU 91 -21.621 19.582 11.621 1462 HD21 LEU 91 HD21 LEU 91 -24.359 17.337 10.261 1463 HD22 LEU 91 HD22 LEU 91 -24.093 18.853 11.123 1464 HD23 LEU 91 HD23 LEU 91 -23.804 17.314 11.935 1465 H LYS 92 H LYS 92 -22.329 17.341 6.511 1466 HA LYS 92 HA LYS 92 -22.272 14.574 7.172 1467 HB2 LYS 92 HB2 LYS 92 -22.991 15.985 4.592 1468 HB3 LYS 92 HB3 LYS 92 -23.281 14.279 4.906 1469 HG2 LYS 92 HG2 LYS 92 -24.329 16.334 6.849 1470 HG3 LYS 92 HG3 LYS 92 -25.192 16.069 5.344 1471 HD2 LYS 92 HD2 LYS 92 -24.428 13.700 7.049 1472 HD3 LYS 92 HD3 LYS 92 -25.834 14.666 7.479 1473 HE2 LYS 92 HE2 LYS 92 -26.732 14.312 5.174 1474 HE3 LYS 92 HE3 LYS 92 -25.370 13.243 4.842 1475 HZ1 LYS 92 HZ1 LYS 92 -26.816 12.675 7.283 1476 HZ2 LYS 92 HZ2 LYS 92 -26.229 11.615 6.092 1477 HZ3 LYS 92 HZ3 LYS 92 -27.702 12.428 5.856 1478 H GLN 93 H GLN 93 -20.944 16.183 4.273 1479 HA GLN 93 HA GLN 93 -19.485 14.186 3.186 1480 HB2 GLN 93 HB2 GLN 93 -18.636 17.074 3.497 1481 HB3 GLN 93 HB3 GLN 93 -17.876 15.925 2.394 1482 HG2 GLN 93 HG2 GLN 93 -20.164 15.536 1.382 1483 HG3 GLN 93 HG3 GLN 93 -20.749 16.884 2.355 1484 HE21 GLN 93 HE21 GLN 93 -17.893 18.115 1.954 1485 HE22 GLN 93 HE22 GLN 93 -17.999 18.820 0.413 1486 H ALA 94 H ALA 94 -18.701 15.909 6.133 1487 HA ALA 94 HA ALA 94 -15.995 15.117 6.357 1488 HB1 ALA 94 HB1 ALA 94 -16.856 16.914 7.729 1489 HB2 ALA 94 HB2 ALA 94 -16.320 15.612 8.790 1490 HB3 ALA 94 HB3 ALA 94 -18.038 15.836 8.470 1491 H ILE 95 H ILE 95 -18.746 13.880 8.275 1492 HA ILE 95 HA ILE 95 -17.356 11.550 9.100 1493 HB ILE 95 HB ILE 95 -19.660 10.753 9.773 1494 HG12 ILE 95 HG12 ILE 95 -20.469 13.497 8.762 1495 HG13 ILE 95 HG13 ILE 95 -20.855 11.983 7.943 1496 HG21 ILE 95 HG21 ILE 95 -19.901 12.493 11.514 1497 HG22 ILE 95 HG22 ILE 95 -18.841 13.559 10.593 1498 HG23 ILE 95 HG23 ILE 95 -18.207 12.064 11.279 1499 HD11 ILE 95 HD11 ILE 95 -22.003 11.206 10.028 1500 HD12 ILE 95 HD12 ILE 95 -22.755 12.636 9.323 1501 HD13 ILE 95 HD13 ILE 95 -21.713 12.794 10.737 1502 H HIS 96 H HIS 96 -18.666 12.380 6.125 1503 HA HIS 96 HA HIS 96 -19.583 9.800 5.265 1504 HB2 HIS 96 HB2 HIS 96 -20.190 12.014 4.191 1505 HB3 HIS 96 HB3 HIS 96 -18.561 12.046 3.516 1506 HD1 HIS 96 HD1 HIS 96 -21.895 10.785 2.838 1507 HD2 HIS 96 HD2 HIS 96 -18.020 9.570 1.893 1508 HE1 HIS 96 HE1 HIS 96 -22.106 9.163 0.906 1509 HE2 HIS 96 HE2 HIS 96 -19.754 8.410 0.318 1510 H HIS 97 H HIS 97 -16.517 11.483 5.360 1511 HA HIS 97 HA HIS 97 -15.067 9.698 3.667 1512 HB2 HIS 97 HB2 HIS 97 -14.284 11.987 4.274 1513 HB3 HIS 97 HB3 HIS 97 -14.026 11.427 5.926 1514 HD1 HIS 97 HD1 HIS 97 -13.209 9.571 2.708 1515 HD2 HIS 97 HD2 HIS 97 -11.249 11.223 5.997 1516 HE1 HIS 97 HE1 HIS 97 -10.774 8.916 2.492 1517 HE2 HIS 97 HE2 HIS 97 -9.562 9.923 4.484 1518 H ALA 98 H ALA 98 -15.232 10.032 7.219 1519 HA ALA 98 HA ALA 98 -13.814 7.612 7.717 1520 HB1 ALA 98 HB1 ALA 98 -13.879 9.433 9.355 1521 HB2 ALA 98 HB2 ALA 98 -14.529 7.951 10.057 1522 HB3 ALA 98 HB3 ALA 98 -15.622 9.231 9.528 1523 H ASN 99 H ASN 99 -16.316 7.496 6.003 1524 HA ASN 99 HA ASN 99 -17.520 5.155 7.327 1525 HB2 ASN 99 HB2 ASN 99 -19.012 6.995 7.892 1526 HB3 ASN 99 HB3 ASN 99 -19.069 7.502 6.204 1527 HD21 ASN 99 HD21 ASN 99 -19.392 4.273 7.803 1528 HD22 ASN 99 HD22 ASN 99 -20.861 3.892 7.041 1529 H HIS 100 H HIS 100 -16.148 4.127 5.711 1530 HA HIS 100 HA HIS 100 -17.367 4.090 2.996 1531 HB2 HIS 100 HB2 HIS 100 -14.501 3.928 3.910 1532 HB3 HIS 100 HB3 HIS 100 -14.986 3.186 2.389 1533 HD1 HIS 100 HD1 HIS 100 -14.195 4.736 0.624 1534 HD2 HIS 100 HD2 HIS 100 -16.043 6.799 3.739 1535 HE1 HIS 100 HE1 HIS 100 -14.278 7.166 -0.077 1536 HE2 HIS 100 HE2 HIS 100 -15.403 8.437 1.810 1537 HA PRO 101 HA PRO 101 -18.099 -0.010 5.068 1538 HB2 PRO 101 HB2 PRO 101 -20.213 0.037 2.927 1539 HB3 PRO 101 HB3 PRO 101 -20.338 -0.481 4.618 1540 HG2 PRO 101 HG2 PRO 101 -21.330 1.854 3.860 1541 HG3 PRO 101 HG3 PRO 101 -20.468 1.711 5.401 1542 HD2 PRO 101 HD2 PRO 101 -19.494 2.854 2.789 1543 HD3 PRO 101 HD3 PRO 101 -19.224 3.446 4.443 1544 H LYS 102 H LYS 102 -19.369 -1.678 2.848 1545 HA LYS 102 HA LYS 102 -17.244 -3.171 2.015 1546 HB2 LYS 102 HB2 LYS 102 -18.665 -3.864 0.076 1547 HB3 LYS 102 HB3 LYS 102 -19.522 -3.895 1.617 1548 HG2 LYS 102 HG2 LYS 102 -20.398 -1.598 1.103 1549 HG3 LYS 102 HG3 LYS 102 -19.660 -1.724 -0.493 1550 HD2 LYS 102 HD2 LYS 102 -20.994 -3.795 -0.902 1551 HD3 LYS 102 HD3 LYS 102 -21.792 -3.551 0.652 1552 HE2 LYS 102 HE2 LYS 102 -23.191 -2.625 -1.121 1553 HE3 LYS 102 HE3 LYS 102 -22.554 -1.308 -0.137 1554 HZ1 LYS 102 HZ1 LYS 102 -22.415 -1.170 -2.700 1555 HZ2 LYS 102 HZ2 LYS 102 -21.076 -2.198 -2.518 1556 HZ3 LYS 102 HZ3 LYS 102 -21.087 -0.675 -1.767 1557 H GLU 103 H GLU 103 -15.808 -3.200 0.320 1558 HA GLU 103 HA GLU 103 -14.328 -2.253 -1.169 1559 HB2 GLU 103 HB2 GLU 103 -16.416 -2.692 -2.557 1560 HB3 GLU 103 HB3 GLU 103 -16.794 -0.981 -2.365 1561 HG2 GLU 103 HG2 GLU 103 -14.632 -0.377 -3.373 1562 HG3 GLU 103 HG3 GLU 103 -14.223 -2.084 -3.537 Start of MODEL 10 1 H ASN 9 H ASN 9 -24.091 6.602 19.105 2 HA ASN 9 HA ASN 9 -21.478 6.075 18.758 3 HB2 ASN 9 HB2 ASN 9 -23.190 8.050 17.218 4 HB3 ASN 9 HB3 ASN 9 -21.768 7.216 16.596 5 HD21 ASN 9 HD21 ASN 9 -23.427 5.143 18.700 6 HD22 ASN 9 HD22 ASN 9 -24.324 4.284 17.544 7 H THR 10 H THR 10 -21.983 8.143 20.952 8 HA THR 10 HA THR 10 -21.024 10.652 20.418 9 HB THR 10 HB THR 10 -21.735 9.887 22.658 10 HG1 THR 10 HG1 THR 10 -20.564 11.735 22.686 11 HG21 THR 10 HG21 THR 10 -20.290 8.533 24.030 12 HG22 THR 10 HG22 THR 10 -19.004 8.588 22.825 13 HG23 THR 10 HG23 THR 10 -20.486 7.691 22.493 14 H ASP 11 H ASP 11 -19.345 7.685 20.064 15 HA ASP 11 HA ASP 11 -16.674 8.561 20.408 16 HB2 ASP 11 HB2 ASP 11 -17.281 6.184 20.310 17 HB3 ASP 11 HB3 ASP 11 -17.775 6.373 18.627 18 H THR 12 H THR 12 -18.800 8.419 17.568 19 HA THR 12 HA THR 12 -16.874 9.361 15.704 20 HB THR 12 HB THR 12 -18.769 9.712 14.217 21 HG1 THR 12 HG1 THR 12 -20.187 10.668 15.675 22 HG21 THR 12 HG21 THR 12 -19.292 7.283 15.953 23 HG22 THR 12 HG22 THR 12 -17.999 7.376 14.756 24 HG23 THR 12 HG23 THR 12 -19.683 7.471 14.243 25 H LEU 13 H LEU 13 -19.694 11.054 17.093 26 HA LEU 13 HA LEU 13 -19.338 13.577 16.199 27 HB2 LEU 13 HB2 LEU 13 -21.180 12.960 17.660 28 HB3 LEU 13 HB3 LEU 13 -20.075 12.730 19.011 29 HG LEU 13 HG LEU 13 -19.536 15.109 19.034 30 HD11 LEU 13 HD11 LEU 13 -19.593 15.819 16.787 31 HD12 LEU 13 HD12 LEU 13 -21.014 16.590 17.478 32 HD13 LEU 13 HD13 LEU 13 -21.191 15.128 16.509 33 HD21 LEU 13 HD21 LEU 13 -22.495 14.480 18.898 34 HD22 LEU 13 HD22 LEU 13 -21.846 15.995 19.526 35 HD23 LEU 13 HD23 LEU 13 -21.466 14.472 20.330 36 H GLU 14 H GLU 14 -17.215 11.876 18.301 37 HA GLU 14 HA GLU 14 -15.886 14.190 19.393 38 HB2 GLU 14 HB2 GLU 14 -15.946 11.870 20.440 39 HB3 GLU 14 HB3 GLU 14 -14.772 11.388 19.215 40 HG2 GLU 14 HG2 GLU 14 -13.253 13.186 19.971 41 HG3 GLU 14 HG3 GLU 14 -14.420 13.645 21.209 42 H ARG 15 H ARG 15 -14.928 11.709 17.010 43 HA ARG 15 HA ARG 15 -12.521 12.948 16.266 44 HB2 ARG 15 HB2 ARG 15 -14.280 11.047 14.698 45 HB3 ARG 15 HB3 ARG 15 -12.612 11.452 14.291 46 HG2 ARG 15 HG2 ARG 15 -12.007 10.689 16.662 47 HG3 ARG 15 HG3 ARG 15 -13.629 10.000 16.741 48 HD2 ARG 15 HD2 ARG 15 -12.123 8.261 16.000 49 HD3 ARG 15 HD3 ARG 15 -13.115 8.738 14.625 50 HE ARG 15 HE ARG 15 -10.809 10.304 14.534 51 HH11 ARG 15 HH21 ARG 15 -11.722 6.968 14.405 52 HH12 ARG 15 HH22 ARG 15 -10.398 6.502 13.390 53 HH21 ARG 15 HH11 ARG 15 -9.073 9.701 13.201 54 HH22 ARG 15 HH12 ARG 15 -8.896 8.049 12.711 55 H VAL 16 H VAL 16 -15.681 13.954 15.610 56 HA VAL 16 HA VAL 16 -15.399 14.906 12.961 57 HB VAL 16 HB VAL 16 -17.197 15.885 15.192 58 HG11 VAL 16 HG11 VAL 16 -17.126 16.451 12.218 59 HG12 VAL 16 HG12 VAL 16 -17.076 17.621 13.537 60 HG13 VAL 16 HG13 VAL 16 -18.559 16.726 13.208 61 HG21 VAL 16 HG21 VAL 16 -17.629 13.957 12.888 62 HG22 VAL 16 HG22 VAL 16 -18.891 14.517 13.984 63 HG23 VAL 16 HG23 VAL 16 -17.563 13.534 14.598 64 H THR 17 H THR 17 -14.402 16.217 16.047 65 HA THR 17 HA THR 17 -13.880 18.867 14.946 66 HB THR 17 HB THR 17 -14.699 18.408 17.312 67 HG1 THR 17 HG1 THR 17 -13.993 20.348 17.504 68 HG21 THR 17 HG21 THR 17 -13.236 17.617 18.957 69 HG22 THR 17 HG22 THR 17 -11.804 17.976 17.994 70 HG23 THR 17 HG23 THR 17 -12.811 16.588 17.590 71 H GLU 18 H GLU 18 -12.141 15.927 15.679 72 HA GLU 18 HA GLU 18 -9.529 17.060 15.656 73 HB2 GLU 18 HB2 GLU 18 -10.549 14.239 15.301 74 HB3 GLU 18 HB3 GLU 18 -8.832 14.642 15.297 75 HG2 GLU 18 HG2 GLU 18 -10.684 15.476 17.537 76 HG3 GLU 18 HG3 GLU 18 -9.817 13.942 17.552 77 H ILE 19 H ILE 19 -11.639 15.785 13.148 78 HA ILE 19 HA ILE 19 -9.680 15.458 11.137 79 HB ILE 19 HB ILE 19 -11.679 15.716 9.569 80 HG12 ILE 19 HG12 ILE 19 -13.247 15.707 12.156 81 HG13 ILE 19 HG13 ILE 19 -12.905 17.194 11.271 82 HG21 ILE 19 HG21 ILE 19 -12.730 13.595 10.426 83 HG22 ILE 19 HG22 ILE 19 -11.749 13.758 11.882 84 HG23 ILE 19 HG23 ILE 19 -10.972 13.523 10.315 85 HD11 ILE 19 HD11 ILE 19 -14.215 14.780 9.996 86 HD12 ILE 19 HD12 ILE 19 -14.083 16.407 9.330 87 HD13 ILE 19 HD13 ILE 19 -15.131 16.103 10.716 88 H PHE 20 H PHE 20 -11.468 18.267 12.253 89 HA PHE 20 HA PHE 20 -10.701 19.926 10.025 90 HB2 PHE 20 HB2 PHE 20 -11.907 20.550 12.726 91 HB3 PHE 20 HB3 PHE 20 -11.570 21.777 11.507 92 HD1 PHE 20 HD1 PHE 20 -12.443 21.158 9.055 93 HD2 PHE 20 HD2 PHE 20 -14.047 19.585 12.717 94 HE1 PHE 20 HE1 PHE 20 -14.562 20.610 7.892 95 HE2 PHE 20 HE2 PHE 20 -16.167 19.037 11.553 96 HZ PHE 20 HZ PHE 20 -16.426 19.553 9.140 97 H LYS 21 H LYS 21 -9.780 19.824 13.474 98 HA LYS 21 HA LYS 21 -7.828 21.768 13.506 99 HB2 LYS 21 HB2 LYS 21 -8.655 20.357 15.447 100 HB3 LYS 21 HB3 LYS 21 -7.534 19.107 14.906 101 HG2 LYS 21 HG2 LYS 21 -5.692 20.832 15.028 102 HG3 LYS 21 HG3 LYS 21 -6.846 21.930 15.778 103 HD2 LYS 21 HD2 LYS 21 -6.290 19.168 16.886 104 HD3 LYS 21 HD3 LYS 21 -5.350 20.577 17.365 105 HE2 LYS 21 HE2 LYS 21 -7.542 21.700 17.992 106 HE3 LYS 21 HE3 LYS 21 -8.322 20.137 17.747 107 HZ1 LYS 21 HZ1 LYS 21 -7.303 19.235 19.547 108 HZ2 LYS 21 HZ2 LYS 21 -7.396 20.846 20.075 109 HZ3 LYS 21 HZ3 LYS 21 -5.940 20.242 19.441 110 H ALA 22 H ALA 22 -7.763 18.660 11.976 111 HA ALA 22 HA ALA 22 -4.886 18.615 11.590 112 HB1 ALA 22 HB1 ALA 22 -6.285 16.538 11.802 113 HB2 ALA 22 HB2 ALA 22 -5.281 16.583 10.352 114 HB3 ALA 22 HB3 ALA 22 -7.006 16.930 10.241 115 H LEU 23 H LEU 23 -7.771 19.516 9.797 116 HA LEU 23 HA LEU 23 -6.562 19.798 7.250 117 HB2 LEU 23 HB2 LEU 23 -8.975 19.647 7.490 118 HB3 LEU 23 HB3 LEU 23 -9.006 21.113 8.465 119 HG LEU 23 HG LEU 23 -8.275 22.449 6.562 120 HD11 LEU 23 HD11 LEU 23 -6.812 21.082 5.319 121 HD12 LEU 23 HD12 LEU 23 -8.225 21.190 4.279 122 HD13 LEU 23 HD13 LEU 23 -7.961 19.746 5.256 123 HD21 LEU 23 HD21 LEU 23 -10.663 22.085 6.760 124 HD22 LEU 23 HD22 LEU 23 -10.537 20.535 5.931 125 HD23 LEU 23 HD23 LEU 23 -10.234 22.034 5.050 126 H GLY 24 H GLY 24 -6.679 21.793 10.082 127 HA2 GLY 24 HA2 GLY 24 -6.219 24.328 9.081 128 HA3 GLY 24 HA3 GLY 24 -5.622 23.763 10.636 129 H ASP 25 H ASP 25 -3.505 24.094 10.860 130 HA ASP 25 HA ASP 25 -1.304 24.513 10.314 131 HB2 ASP 25 HB2 ASP 25 -1.945 22.080 8.642 132 HB3 ASP 25 HB3 ASP 25 -0.318 22.744 8.779 133 H TYR 26 H TYR 26 -1.422 26.521 9.349 134 HA TYR 26 HA TYR 26 -2.400 27.188 6.863 135 HB2 TYR 26 HB2 TYR 26 0.119 28.521 7.813 136 HB3 TYR 26 HB3 TYR 26 -1.338 29.242 7.135 137 HD1 TYR 26 HD2 TYR 26 -3.465 27.980 8.779 138 HD2 TYR 26 HD1 TYR 26 0.372 29.544 9.920 139 HE1 TYR 26 HE2 TYR 26 -4.306 28.379 11.073 140 HE2 TYR 26 HE1 TYR 26 -0.478 29.958 12.210 141 HH TYR 26 HH TYR 26 -3.751 28.950 13.162 142 H ASN 27 H ASN 27 0.420 25.370 7.595 143 HA ASN 27 HA ASN 27 1.786 25.873 5.107 144 HB2 ASN 27 HB2 ASN 27 2.164 23.732 7.213 145 HB3 ASN 27 HB3 ASN 27 3.237 23.987 5.838 146 HD21 ASN 27 HD21 ASN 27 1.688 26.116 8.323 147 HD22 ASN 27 HD22 ASN 27 3.111 26.971 8.675 148 H ARG 28 H ARG 28 -0.312 23.337 6.401 149 HA ARG 28 HA ARG 28 -0.014 21.630 4.112 150 HB2 ARG 28 HB2 ARG 28 -0.541 20.698 6.311 151 HB3 ARG 28 HB3 ARG 28 -2.054 21.605 6.348 152 HG2 ARG 28 HG2 ARG 28 -2.959 20.359 4.522 153 HG3 ARG 28 HG3 ARG 28 -1.389 19.652 4.137 154 HD2 ARG 28 HD2 ARG 28 -1.404 18.492 6.337 155 HD3 ARG 28 HD3 ARG 28 -3.006 19.153 6.654 156 HE ARG 28 HE ARG 28 -3.870 17.497 5.295 157 HH11 ARG 28 HH21 ARG 28 -0.524 18.025 4.589 158 HH12 ARG 28 HH22 ARG 28 -0.424 16.745 3.427 159 HH21 ARG 28 HH11 ARG 28 -3.749 15.820 3.767 160 HH22 ARG 28 HH12 ARG 28 -2.251 15.498 2.960 161 H ILE 29 H ILE 29 -2.562 23.831 5.267 162 HA ILE 29 HA ILE 29 -4.527 23.226 3.431 163 HB ILE 29 HB ILE 29 -4.773 24.797 5.358 164 HG12 ILE 29 HG12 ILE 29 -5.618 26.014 2.715 165 HG13 ILE 29 HG13 ILE 29 -6.415 24.617 3.440 166 HG21 ILE 29 HG21 ILE 29 -4.041 27.059 5.192 167 HG22 ILE 29 HG22 ILE 29 -3.626 26.879 3.489 168 HG23 ILE 29 HG23 ILE 29 -2.651 26.081 4.722 169 HD11 ILE 29 HD11 ILE 29 -6.808 25.993 5.503 170 HD12 ILE 29 HD12 ILE 29 -7.641 26.610 4.076 171 HD13 ILE 29 HD13 ILE 29 -6.163 27.389 4.640 172 H ARG 30 H ARG 30 -1.828 25.550 3.002 173 HA ARG 30 HA ARG 30 -2.708 26.333 0.407 174 HB2 ARG 30 HB2 ARG 30 -1.257 27.691 1.921 175 HB3 ARG 30 HB3 ARG 30 0.058 26.571 1.612 176 HG2 ARG 30 HG2 ARG 30 -1.291 27.719 -0.814 177 HG3 ARG 30 HG3 ARG 30 -0.343 28.841 0.146 178 HD2 ARG 30 HD2 ARG 30 0.866 26.201 -0.613 179 HD3 ARG 30 HD3 ARG 30 0.815 27.513 -1.788 180 HE ARG 30 HE ARG 30 1.868 28.251 0.818 181 HH11 ARG 30 HH21 ARG 30 2.508 27.059 -2.367 182 HH12 ARG 30 HH22 ARG 30 4.162 27.575 -2.376 183 HH21 ARG 30 HH11 ARG 30 4.030 28.938 0.810 184 HH22 ARG 30 HH12 ARG 30 5.024 28.635 -0.574 185 H ILE 31 H ILE 31 -0.584 23.825 1.631 186 HA ILE 31 HA ILE 31 0.545 23.107 -0.905 187 HB ILE 31 HB ILE 31 0.281 21.625 1.718 188 HG12 ILE 31 HG12 ILE 31 2.744 22.676 0.315 189 HG13 ILE 31 HG13 ILE 31 1.820 23.655 1.452 190 HG21 ILE 31 HG21 ILE 31 0.370 19.909 0.042 191 HG22 ILE 31 HG22 ILE 31 2.010 20.078 0.666 192 HG23 ILE 31 HG23 ILE 31 1.579 20.794 -0.888 193 HD11 ILE 31 HD11 ILE 31 2.118 21.846 3.162 194 HD12 ILE 31 HD12 ILE 31 3.640 22.574 2.652 195 HD13 ILE 31 HD13 ILE 31 3.163 20.997 2.022 196 H MET 32 H MET 32 -2.402 22.398 0.814 197 HA MET 32 HA MET 32 -3.205 20.081 -0.584 198 HB2 MET 32 HB2 MET 32 -4.236 21.116 1.530 199 HB3 MET 32 HB3 MET 32 -5.098 22.199 0.440 200 HG2 MET 32 HG2 MET 32 -6.571 20.357 0.811 201 HG3 MET 32 HG3 MET 32 -5.883 20.097 -0.794 202 HE1 MET 32 HE1 MET 32 -7.212 17.729 0.340 203 HE2 MET 32 HE2 MET 32 -7.085 18.350 1.985 204 HE3 MET 32 HE3 MET 32 -6.417 16.768 1.587 205 H GLU 33 H GLU 33 -3.343 23.491 -1.355 206 HA GLU 33 HA GLU 33 -5.170 23.332 -3.525 207 HB2 GLU 33 HB2 GLU 33 -2.967 25.305 -2.889 208 HB3 GLU 33 HB3 GLU 33 -4.102 25.502 -4.225 209 HG2 GLU 33 HG2 GLU 33 -4.966 25.114 -1.348 210 HG3 GLU 33 HG3 GLU 33 -4.763 26.698 -2.095 211 H LEU 34 H LEU 34 -1.677 22.923 -3.252 212 HA LEU 34 HA LEU 34 -1.106 22.863 -6.023 213 HB2 LEU 34 HB2 LEU 34 0.697 23.182 -4.480 214 HB3 LEU 34 HB3 LEU 34 0.316 21.688 -3.627 215 HG LEU 34 HG LEU 34 1.029 20.347 -5.497 216 HD11 LEU 34 HD11 LEU 34 1.985 21.593 -7.547 217 HD12 LEU 34 HD12 LEU 34 1.093 22.994 -6.954 218 HD13 LEU 34 HD13 LEU 34 0.231 21.521 -7.400 219 HD21 LEU 34 HD21 LEU 34 3.049 22.588 -5.299 220 HD22 LEU 34 HD22 LEU 34 3.357 20.868 -5.539 221 HD23 LEU 34 HD23 LEU 34 2.767 21.449 -3.981 222 H LEU 35 H LEU 35 -1.319 20.127 -3.722 223 HA LEU 35 HA LEU 35 -1.139 18.013 -5.431 224 HB2 LEU 35 HB2 LEU 35 -3.218 18.140 -3.242 225 HB3 LEU 35 HB3 LEU 35 -2.402 16.708 -3.865 226 HG LEU 35 HG LEU 35 -1.126 18.988 -2.328 227 HD11 LEU 35 HD11 LEU 35 -2.443 17.387 -0.977 228 HD12 LEU 35 HD12 LEU 35 -0.718 17.247 -0.637 229 HD13 LEU 35 HD13 LEU 35 -1.514 16.054 -1.663 230 HD21 LEU 35 HD21 LEU 35 0.046 16.621 -3.793 231 HD22 LEU 35 HD22 LEU 35 0.882 17.342 -2.418 232 HD23 LEU 35 HD23 LEU 35 0.549 18.311 -3.848 233 H SER 36 H SER 36 -4.000 20.031 -4.903 234 HA SER 36 HA SER 36 -5.887 18.553 -6.322 235 HB2 SER 36 HB2 SER 36 -6.234 20.706 -4.987 236 HB3 SER 36 HB3 SER 36 -5.700 21.564 -6.431 237 HG SER 36 HG SER 36 -7.755 19.624 -6.470 238 H VAL 37 H VAL 37 -3.762 21.147 -7.547 239 HA VAL 37 HA VAL 37 -4.495 21.031 -10.234 240 HB VAL 37 HB VAL 37 -1.743 21.593 -9.098 241 HG11 VAL 37 HG11 VAL 37 -1.580 21.292 -11.470 242 HG12 VAL 37 HG12 VAL 37 -1.626 23.033 -11.197 243 HG13 VAL 37 HG13 VAL 37 -3.072 22.189 -11.752 244 HG21 VAL 37 HG21 VAL 37 -4.035 23.479 -9.726 245 HG22 VAL 37 HG22 VAL 37 -2.459 23.930 -9.076 246 HG23 VAL 37 HG23 VAL 37 -3.572 22.968 -8.102 247 H SER 38 H SER 38 -1.978 19.215 -8.501 248 HA SER 38 HA SER 38 -2.296 16.888 -10.086 249 HB2 SER 38 HB2 SER 38 -0.033 16.975 -11.199 250 HB3 SER 38 HB3 SER 38 -1.219 18.098 -11.861 251 HG SER 38 HG SER 38 0.903 18.635 -10.069 252 H GLU 39 H GLU 39 -1.384 15.171 -9.069 253 HA GLU 39 HA GLU 39 -0.580 15.230 -6.463 254 HB2 GLU 39 HB2 GLU 39 0.436 13.022 -6.836 255 HB3 GLU 39 HB3 GLU 39 -1.104 13.157 -7.683 256 HG2 GLU 39 HG2 GLU 39 0.227 13.861 -9.736 257 HG3 GLU 39 HG3 GLU 39 1.676 13.376 -8.857 258 H ALA 40 H ALA 40 1.525 14.831 -5.454 259 HA ALA 40 HA ALA 40 3.921 15.597 -6.902 260 HB1 ALA 40 HB1 ALA 40 2.802 17.773 -6.262 261 HB2 ALA 40 HB2 ALA 40 4.428 17.558 -5.613 262 HB3 ALA 40 HB3 ALA 40 3.024 17.309 -4.575 263 H SER 41 H SER 41 5.701 14.712 -5.991 264 HA SER 41 HA SER 41 5.351 12.902 -3.782 265 HB2 SER 41 HB2 SER 41 7.742 13.711 -5.443 266 HB3 SER 41 HB3 SER 41 7.848 12.558 -4.114 267 HG SER 41 HG SER 41 6.129 12.358 -6.364 268 H VAL 42 H VAL 42 7.148 12.912 -2.039 269 HA VAL 42 HA VAL 42 6.741 15.048 -0.322 270 HB VAL 42 HB VAL 42 9.209 13.301 -0.381 271 HG11 VAL 42 HG11 VAL 42 7.735 14.739 1.849 272 HG12 VAL 42 HG12 VAL 42 9.311 15.183 1.194 273 HG13 VAL 42 HG13 VAL 42 9.117 13.667 2.074 274 HG21 VAL 42 HG21 VAL 42 7.809 11.873 1.199 275 HG22 VAL 42 HG22 VAL 42 7.320 11.825 -0.494 276 HG23 VAL 42 HG23 VAL 42 6.408 12.799 0.659 277 H GLY 43 H GLY 43 9.634 14.429 -2.323 278 HA2 GLY 43 HA2 GLY 43 11.018 16.769 -1.625 279 HA3 GLY 43 HA3 GLY 43 11.281 15.836 -3.094 280 H HIS 44 H HIS 44 8.628 16.158 -4.159 281 HA HIS 44 HA HIS 44 8.977 18.579 -5.575 282 HB2 HIS 44 HB2 HIS 44 6.621 16.705 -5.307 283 HB3 HIS 44 HB3 HIS 44 6.614 18.108 -6.374 284 HD1 HIS 44 HD1 HIS 44 6.967 17.212 -8.681 285 HD2 HIS 44 HD2 HIS 44 9.523 15.411 -5.924 286 HE1 HIS 44 HE1 HIS 44 8.507 15.708 -10.011 287 HE2 HIS 44 HE2 HIS 44 10.069 14.598 -8.346 288 H ILE 45 H ILE 45 7.336 17.819 -2.610 289 HA ILE 45 HA ILE 45 5.708 20.212 -2.598 290 HB ILE 45 HB ILE 45 6.298 18.138 -0.476 291 HG12 ILE 45 HG12 ILE 45 3.729 18.692 -1.975 292 HG13 ILE 45 HG13 ILE 45 4.932 17.542 -2.558 293 HG21 ILE 45 HG21 ILE 45 4.258 19.214 0.629 294 HG22 ILE 45 HG22 ILE 45 4.504 20.576 -0.463 295 HG23 ILE 45 HG23 ILE 45 5.753 20.146 0.706 296 HD11 ILE 45 HD11 ILE 45 4.777 16.324 -0.396 297 HD12 ILE 45 HD12 ILE 45 3.229 16.370 -1.238 298 HD13 ILE 45 HD13 ILE 45 3.523 17.447 0.127 299 H SER 46 H SER 46 8.881 19.273 -1.451 300 HA SER 46 HA SER 46 9.256 21.111 0.592 301 HB2 SER 46 HB2 SER 46 10.848 19.308 0.056 302 HB3 SER 46 HB3 SER 46 11.299 20.150 -1.426 303 HG SER 46 HG SER 46 12.409 21.557 -0.305 304 H HIS 47 H HIS 47 8.679 21.757 -2.664 305 HA HIS 47 HA HIS 47 10.159 24.285 -2.747 306 HB2 HIS 47 HB2 HIS 47 8.320 22.951 -4.750 307 HB3 HIS 47 HB3 HIS 47 9.202 24.453 -5.030 308 HD1 HIS 47 HD1 HIS 47 9.608 20.770 -4.963 309 HD2 HIS 47 HD2 HIS 47 12.098 24.111 -5.097 310 HE1 HIS 47 HE1 HIS 47 11.902 19.927 -5.617 311 HE2 HIS 47 HE2 HIS 47 13.434 21.949 -5.700 312 H GLN 48 H GLN 48 7.185 23.132 -1.694 313 HA GLN 48 HA GLN 48 5.551 25.400 -2.346 314 HB2 GLN 48 HB2 GLN 48 5.199 23.145 -0.363 315 HB3 GLN 48 HB3 GLN 48 3.997 24.409 -0.627 316 HG2 GLN 48 HG2 GLN 48 5.107 22.756 -2.900 317 HG3 GLN 48 HG3 GLN 48 3.695 22.246 -1.975 318 HE21 GLN 48 HE21 GLN 48 4.858 24.537 -4.375 319 HE22 GLN 48 HE22 GLN 48 3.350 25.246 -4.698 320 H LEU 49 H LEU 49 6.937 24.246 0.744 321 HA LEU 49 HA LEU 49 7.457 26.955 1.604 322 HB2 LEU 49 HB2 LEU 49 4.904 26.214 1.950 323 HB3 LEU 49 HB3 LEU 49 5.556 25.476 3.403 324 HG LEU 49 HG LEU 49 5.802 28.393 2.612 325 HD11 LEU 49 HD11 LEU 49 4.325 27.141 4.940 326 HD12 LEU 49 HD12 LEU 49 3.551 27.539 3.407 327 HD13 LEU 49 HD13 LEU 49 4.252 28.818 4.399 328 HD21 LEU 49 HD21 LEU 49 7.760 27.969 3.834 329 HD22 LEU 49 HD22 LEU 49 6.978 26.778 4.873 330 HD23 LEU 49 HD23 LEU 49 6.641 28.495 5.085 331 H ASN 50 H ASN 50 7.313 23.509 2.312 332 HA ASN 50 HA ASN 50 9.032 23.717 4.634 333 HB2 ASN 50 HB2 ASN 50 8.064 21.318 3.064 334 HB3 ASN 50 HB3 ASN 50 8.964 21.240 4.578 335 HD21 ASN 50 HD21 ASN 50 7.248 23.941 5.087 336 HD22 ASN 50 HD22 ASN 50 5.823 23.297 5.745 337 H LEU 51 H LEU 51 11.179 23.249 4.777 338 HA LEU 51 HA LEU 51 12.696 23.170 2.257 339 HB2 LEU 51 HB2 LEU 51 13.446 23.715 5.132 340 HB3 LEU 51 HB3 LEU 51 14.651 23.509 3.868 341 HG LEU 51 HG LEU 51 14.056 25.898 4.337 342 HD11 LEU 51 HD11 LEU 51 13.133 25.330 1.533 343 HD12 LEU 51 HD12 LEU 51 14.776 24.904 2.005 344 HD13 LEU 51 HD13 LEU 51 14.227 26.570 2.131 345 HD21 LEU 51 HD21 LEU 51 11.588 25.291 4.736 346 HD22 LEU 51 HD22 LEU 51 11.426 25.335 2.978 347 HD23 LEU 51 HD23 LEU 51 11.924 26.779 3.856 348 H SER 52 H SER 52 12.882 21.570 5.447 349 HA SER 52 HA SER 52 14.436 19.395 4.415 350 HB2 SER 52 HB2 SER 52 14.554 20.203 6.777 351 HB3 SER 52 HB3 SER 52 12.929 19.566 7.035 352 HG SER 52 HG SER 52 15.000 17.964 5.991 353 H GLN 53 H GLN 53 13.820 17.357 3.852 354 HA GLN 53 HA GLN 53 11.020 16.942 3.195 355 HB2 GLN 53 HB2 GLN 53 11.817 14.861 2.163 356 HB3 GLN 53 HB3 GLN 53 12.787 16.234 1.631 357 HG2 GLN 53 HG2 GLN 53 14.397 15.648 3.530 358 HG3 GLN 53 HG3 GLN 53 13.511 14.132 3.681 359 HE21 GLN 53 HE21 GLN 53 14.737 16.070 0.881 360 HE22 GLN 53 HE22 GLN 53 15.484 14.751 0.118 361 H SER 54 H SER 54 13.408 15.695 5.473 362 HA SER 54 HA SER 54 12.001 13.502 6.485 363 HB2 SER 54 HB2 SER 54 14.317 13.897 7.093 364 HB3 SER 54 HB3 SER 54 13.886 15.411 7.888 365 HG SER 54 HG SER 54 13.017 14.337 9.518 366 H ASN 55 H ASN 55 11.633 16.929 7.065 367 HA ASN 55 HA ASN 55 10.004 16.754 9.391 368 HB2 ASN 55 HB2 ASN 55 11.201 18.820 8.498 369 HB3 ASN 55 HB3 ASN 55 9.895 18.949 7.320 370 HD21 ASN 55 HD21 ASN 55 9.881 21.103 8.865 371 HD22 ASN 55 HD22 ASN 55 8.741 21.017 10.120 372 H VAL 56 H VAL 56 9.287 16.928 5.924 373 HA VAL 56 HA VAL 56 6.447 16.952 6.254 374 HB VAL 56 HB VAL 56 8.059 16.121 3.831 375 HG11 VAL 56 HG11 VAL 56 5.701 15.509 3.683 376 HG12 VAL 56 HG12 VAL 56 6.006 16.893 2.633 377 HG13 VAL 56 HG13 VAL 56 5.221 17.126 4.196 378 HG21 VAL 56 HG21 VAL 56 8.729 18.352 4.626 379 HG22 VAL 56 HG22 VAL 56 7.038 18.845 4.691 380 HG23 VAL 56 HG23 VAL 56 7.793 18.486 3.137 381 H SER 57 H SER 57 8.869 14.439 5.698 382 HA SER 57 HA SER 57 7.082 12.301 5.225 383 HB2 SER 57 HB2 SER 57 9.898 12.350 6.332 384 HB3 SER 57 HB3 SER 57 9.029 10.870 5.929 385 HG SER 57 HG SER 57 8.776 11.749 3.799 386 H HIS 58 H HIS 58 8.420 13.686 8.186 387 HA HIS 58 HA HIS 58 7.358 11.635 9.898 388 HB2 HIS 58 HB2 HIS 58 9.344 12.952 10.526 389 HB3 HIS 58 HB3 HIS 58 8.361 14.415 10.564 390 HD1 HIS 58 HD1 HIS 58 8.349 14.896 13.049 391 HD2 HIS 58 HD2 HIS 58 7.263 10.964 12.194 392 HE1 HIS 58 HE1 HIS 58 7.563 13.881 15.230 393 HE2 HIS 58 HE2 HIS 58 6.893 11.486 14.727 394 H GLN 59 H GLN 59 6.441 14.984 9.121 395 HA GLN 59 HA GLN 59 4.159 15.038 10.815 396 HB2 GLN 59 HB2 GLN 59 5.281 17.077 9.978 397 HB3 GLN 59 HB3 GLN 59 4.741 16.689 8.344 398 HG2 GLN 59 HG2 GLN 59 2.434 16.933 8.958 399 HG3 GLN 59 HG3 GLN 59 2.835 17.007 10.673 400 HE21 GLN 59 HE21 GLN 59 1.444 19.150 10.154 401 HE22 GLN 59 HE22 GLN 59 2.376 20.524 9.805 402 H LEU 60 H LEU 60 4.547 14.464 7.320 403 HA LEU 60 HA LEU 60 1.860 14.206 6.647 404 HB2 LEU 60 HB2 LEU 60 3.600 14.315 4.955 405 HB3 LEU 60 HB3 LEU 60 4.288 12.795 5.514 406 HG LEU 60 HG LEU 60 2.313 11.574 4.804 407 HD11 LEU 60 HD11 LEU 60 0.480 13.007 5.198 408 HD12 LEU 60 HD12 LEU 60 0.571 12.953 3.443 409 HD13 LEU 60 HD13 LEU 60 1.216 14.343 4.313 410 HD21 LEU 60 HD21 LEU 60 2.434 12.035 2.361 411 HD22 LEU 60 HD22 LEU 60 4.029 11.988 3.112 412 HD23 LEU 60 HD23 LEU 60 3.289 13.537 2.709 413 H LYS 61 H LYS 61 4.048 11.923 8.170 414 HA LYS 61 HA LYS 61 2.409 9.613 7.858 415 HB2 LYS 61 HB2 LYS 61 4.847 9.547 8.372 416 HB3 LYS 61 HB3 LYS 61 4.493 10.169 9.984 417 HG2 LYS 61 HG2 LYS 61 3.135 8.220 10.494 418 HG3 LYS 61 HG3 LYS 61 3.302 7.625 8.842 419 HD2 LYS 61 HD2 LYS 61 5.675 7.277 9.135 420 HD3 LYS 61 HD3 LYS 61 5.649 8.082 10.704 421 HE2 LYS 61 HE2 LYS 61 5.666 5.679 11.071 422 HE3 LYS 61 HE3 LYS 61 4.080 6.302 11.522 423 HZ1 LYS 61 HZ1 LYS 61 3.948 4.290 10.157 424 HZ2 LYS 61 HZ2 LYS 61 4.747 5.096 8.893 425 HZ3 LYS 61 HZ3 LYS 61 3.213 5.620 9.399 426 H LEU 62 H LEU 62 2.529 12.215 10.198 427 HA LEU 62 HA LEU 62 0.966 10.935 12.209 428 HB2 LEU 62 HB2 LEU 62 2.349 12.847 12.773 429 HB3 LEU 62 HB3 LEU 62 1.482 13.861 11.625 430 HG LEU 62 HG LEU 62 -0.554 13.709 12.943 431 HD11 LEU 62 HD11 LEU 62 1.040 11.679 14.510 432 HD12 LEU 62 HD12 LEU 62 -0.588 11.530 13.846 433 HD13 LEU 62 HD13 LEU 62 -0.305 12.539 15.259 434 HD21 LEU 62 HD21 LEU 62 0.241 14.819 15.012 435 HD22 LEU 62 HD22 LEU 62 1.080 15.423 13.583 436 HD23 LEU 62 HD23 LEU 62 1.881 14.277 14.658 437 H LEU 63 H LEU 63 0.231 12.837 9.349 438 HA LEU 63 HA LEU 63 -2.576 13.112 9.948 439 HB2 LEU 63 HB2 LEU 63 -1.243 13.380 7.248 440 HB3 LEU 63 HB3 LEU 63 -2.771 14.087 7.768 441 HG LEU 63 HG LEU 63 -0.069 14.749 8.980 442 HD11 LEU 63 HD11 LEU 63 -1.784 16.239 6.973 443 HD12 LEU 63 HD12 LEU 63 -0.181 15.560 6.688 444 HD13 LEU 63 HD13 LEU 63 -0.378 16.924 7.789 445 HD21 LEU 63 HD21 LEU 63 -1.484 16.740 9.833 446 HD22 LEU 63 HD22 LEU 63 -1.731 15.183 10.618 447 HD23 LEU 63 HD23 LEU 63 -2.887 15.755 9.416 448 H LYS 64 H LYS 64 -0.543 10.743 8.421 449 HA LYS 64 HA LYS 64 -2.336 9.375 6.797 450 HB2 LYS 64 HB2 LYS 64 0.102 8.848 7.062 451 HB3 LYS 64 HB3 LYS 64 -0.278 8.092 8.610 452 HG2 LYS 64 HG2 LYS 64 -1.767 6.499 7.509 453 HG3 LYS 64 HG3 LYS 64 -1.510 7.293 5.956 454 HD2 LYS 64 HD2 LYS 64 0.946 6.780 6.185 455 HD3 LYS 64 HD3 LYS 64 0.559 5.829 7.620 456 HE2 LYS 64 HE2 LYS 64 -0.385 5.341 4.783 457 HE3 LYS 64 HE3 LYS 64 0.644 4.297 5.763 458 HZ1 LYS 64 HZ1 LYS 64 -1.440 4.481 7.361 459 HZ2 LYS 64 HZ2 LYS 64 -1.330 3.298 6.146 460 HZ3 LYS 64 HZ3 LYS 64 -2.240 4.707 5.879 461 H SER 65 H SER 65 -1.945 9.314 10.300 462 HA SER 65 HA SER 65 -3.583 7.150 10.953 463 HB2 SER 65 HB2 SER 65 -3.208 9.779 12.410 464 HB3 SER 65 HB3 SER 65 -3.973 8.349 13.101 465 HG SER 65 HG SER 65 -2.091 7.372 13.223 466 H VAL 66 H VAL 66 -4.472 10.588 10.611 467 HA VAL 66 HA VAL 66 -7.280 10.131 10.861 468 HB VAL 66 HB VAL 66 -6.031 12.475 9.422 469 HG11 VAL 66 HG11 VAL 66 -8.450 12.129 11.223 470 HG12 VAL 66 HG12 VAL 66 -8.470 12.423 9.484 471 HG13 VAL 66 HG13 VAL 66 -7.893 13.674 10.583 472 HG21 VAL 66 HG21 VAL 66 -6.072 11.865 12.387 473 HG22 VAL 66 HG22 VAL 66 -5.868 13.496 11.749 474 HG23 VAL 66 HG23 VAL 66 -4.673 12.252 11.384 475 H HIS 67 H HIS 67 -5.255 9.008 8.636 476 HA HIS 67 HA HIS 67 -5.347 8.442 6.404 477 HB2 HIS 67 HB2 HIS 67 -7.509 7.341 5.811 478 HB3 HIS 67 HB3 HIS 67 -6.842 6.802 7.352 479 HD1 HIS 67 HD1 HIS 67 -9.343 9.391 6.079 480 HD2 HIS 67 HD2 HIS 67 -8.636 7.032 9.442 481 HE1 HIS 67 HE1 HIS 67 -11.290 9.781 7.647 482 HE2 HIS 67 HE2 HIS 67 -10.875 8.354 9.705 483 H LEU 68 H LEU 68 -5.921 11.335 6.989 484 HA LEU 68 HA LEU 68 -7.984 12.300 5.393 485 HB2 LEU 68 HB2 LEU 68 -6.124 13.407 7.016 486 HB3 LEU 68 HB3 LEU 68 -5.412 13.836 5.475 487 HG LEU 68 HG LEU 68 -6.817 15.646 6.199 488 HD11 LEU 68 HD11 LEU 68 -6.819 14.901 3.765 489 HD12 LEU 68 HD12 LEU 68 -8.153 15.937 4.266 490 HD13 LEU 68 HD13 LEU 68 -8.410 14.203 4.085 491 HD21 LEU 68 HD21 LEU 68 -8.329 13.937 7.578 492 HD22 LEU 68 HD22 LEU 68 -9.340 14.027 6.139 493 HD23 LEU 68 HD23 LEU 68 -8.950 15.488 7.034 494 H VAL 69 H VAL 69 -5.124 10.689 4.506 495 HA VAL 69 HA VAL 69 -5.741 11.051 1.665 496 HB VAL 69 HB VAL 69 -3.391 11.547 1.111 497 HG11 VAL 69 HG11 VAL 69 -5.128 13.360 1.557 498 HG12 VAL 69 HG12 VAL 69 -3.446 13.868 1.708 499 HG13 VAL 69 HG13 VAL 69 -4.401 13.540 3.153 500 HG21 VAL 69 HG21 VAL 69 -1.935 12.331 3.053 501 HG22 VAL 69 HG22 VAL 69 -2.218 10.593 2.972 502 HG23 VAL 69 HG23 VAL 69 -3.115 11.579 4.126 503 H LYS 70 H LYS 70 -4.028 9.647 0.394 504 HA LYS 70 HA LYS 70 -3.245 7.225 1.840 505 HB2 LYS 70 HB2 LYS 70 -5.625 6.869 1.204 506 HB3 LYS 70 HB3 LYS 70 -5.187 7.139 -0.483 507 HG2 LYS 70 HG2 LYS 70 -3.692 5.222 -0.455 508 HG3 LYS 70 HG3 LYS 70 -3.951 4.999 1.275 509 HD2 LYS 70 HD2 LYS 70 -6.260 4.411 0.933 510 HD3 LYS 70 HD3 LYS 70 -6.187 4.887 -0.765 511 HE2 LYS 70 HE2 LYS 70 -4.436 2.704 0.382 512 HE3 LYS 70 HE3 LYS 70 -6.030 2.376 -0.299 513 HZ1 LYS 70 HZ1 LYS 70 -3.690 3.566 -1.679 514 HZ2 LYS 70 HZ2 LYS 70 -5.254 3.539 -2.344 515 HZ3 LYS 70 HZ3 LYS 70 -4.444 2.082 -2.016 516 H ALA 71 H ALA 71 -1.395 6.477 1.062 517 HA ALA 71 HA ALA 71 -0.377 7.512 -1.518 518 HB1 ALA 71 HB1 ALA 71 1.098 6.164 0.757 519 HB2 ALA 71 HB2 ALA 71 0.976 7.908 0.534 520 HB3 ALA 71 HB3 ALA 71 1.820 6.924 -0.661 521 H LYS 72 H LYS 72 0.797 6.046 -2.899 522 HA LYS 72 HA LYS 72 0.224 3.169 -2.577 523 HB2 LYS 72 HB2 LYS 72 -0.353 4.653 -5.144 524 HB3 LYS 72 HB3 LYS 72 -0.750 2.981 -4.747 525 HG2 LYS 72 HG2 LYS 72 -2.191 3.893 -2.861 526 HG3 LYS 72 HG3 LYS 72 -1.950 5.494 -3.556 527 HD2 LYS 72 HD2 LYS 72 -3.095 3.123 -5.062 528 HD3 LYS 72 HD3 LYS 72 -4.064 4.402 -4.331 529 HE2 LYS 72 HE2 LYS 72 -2.620 6.030 -5.738 530 HE3 LYS 72 HE3 LYS 72 -2.145 4.596 -6.652 531 HZ1 LYS 72 HZ1 LYS 72 -4.359 4.185 -7.265 532 HZ2 LYS 72 HZ2 LYS 72 -4.132 5.850 -7.506 533 HZ3 LYS 72 HZ3 LYS 72 -4.975 5.297 -6.140 534 H ARG 73 H ARG 73 1.521 1.826 -3.945 535 HA ARG 73 HA ARG 73 4.166 2.975 -4.473 536 HB2 ARG 73 HB2 ARG 73 3.851 0.806 -3.220 537 HB3 ARG 73 HB3 ARG 73 3.271 0.097 -4.727 538 HG2 ARG 73 HG2 ARG 73 5.383 0.560 -5.825 539 HG3 ARG 73 HG3 ARG 73 5.961 1.464 -4.426 540 HD2 ARG 73 HD2 ARG 73 6.940 -0.740 -4.329 541 HD3 ARG 73 HD3 ARG 73 5.721 -0.638 -3.063 542 HE ARG 73 HE ARG 73 4.358 -1.680 -5.191 543 HH11 ARG 73 HH21 ARG 73 7.296 -2.450 -3.533 544 HH12 ARG 73 HH22 ARG 73 7.169 -4.154 -3.813 545 HH21 ARG 73 HH11 ARG 73 4.183 -3.915 -5.557 546 HH22 ARG 73 HH12 ARG 73 5.408 -4.984 -4.959 547 H GLN 74 H GLN 74 5.097 3.099 -6.481 548 HA GLN 74 HA GLN 74 3.781 1.952 -8.813 549 HB2 GLN 74 HB2 GLN 74 2.605 4.117 -8.482 550 HB3 GLN 74 HB3 GLN 74 4.158 4.948 -8.573 551 HG2 GLN 74 HG2 GLN 74 4.491 4.285 -10.841 552 HG3 GLN 74 HG3 GLN 74 3.181 3.108 -10.765 553 HE21 GLN 74 HE21 GLN 74 3.855 6.076 -12.044 554 HE22 GLN 74 HE22 GLN 74 2.300 6.756 -12.030 555 H GLY 75 H GLY 75 5.336 1.160 -10.050 556 HA2 GLY 75 HA2 GLY 75 7.368 0.868 -11.089 557 HA3 GLY 75 HA3 GLY 75 7.605 2.604 -10.911 558 H GLN 76 H GLN 76 9.645 2.754 -10.154 559 HA GLN 76 HA GLN 76 10.526 1.043 -7.914 560 HB2 GLN 76 HB2 GLN 76 12.021 2.868 -9.808 561 HB3 GLN 76 HB3 GLN 76 12.770 2.006 -8.462 562 HG2 GLN 76 HG2 GLN 76 13.072 0.672 -10.457 563 HG3 GLN 76 HG3 GLN 76 11.882 -0.137 -9.439 564 HE21 GLN 76 HE21 GLN 76 11.394 2.711 -11.577 565 HE22 GLN 76 HE22 GLN 76 10.226 1.962 -12.555 566 H SER 77 H SER 77 8.694 3.528 -7.866 567 HA SER 77 HA SER 77 10.004 4.790 -5.555 568 HB2 SER 77 HB2 SER 77 9.867 6.985 -6.382 569 HB3 SER 77 HB3 SER 77 10.503 6.067 -7.745 570 HG SER 77 HG SER 77 7.781 6.735 -7.300 571 H MET 78 H MET 78 8.480 6.381 -4.520 572 HA MET 78 HA MET 78 5.684 5.375 -4.599 573 HB2 MET 78 HB2 MET 78 7.316 6.368 -2.249 574 HB3 MET 78 HB3 MET 78 5.610 5.925 -2.188 575 HG2 MET 78 HG2 MET 78 6.197 3.638 -2.957 576 HG3 MET 78 HG3 MET 78 7.903 4.088 -2.947 577 HE1 MET 78 HE1 MET 78 6.182 1.661 -0.965 578 HE2 MET 78 HE2 MET 78 7.665 1.691 -0.012 579 HE3 MET 78 HE3 MET 78 7.744 1.854 -1.766 580 H ILE 79 H ILE 79 4.037 6.894 -4.284 581 HA ILE 79 HA ILE 79 4.769 9.757 -4.309 582 HB ILE 79 HB ILE 79 3.010 10.112 -6.073 583 HG12 ILE 79 HG12 ILE 79 3.369 7.143 -6.552 584 HG13 ILE 79 HG13 ILE 79 1.965 7.833 -5.734 585 HG21 ILE 79 HG21 ILE 79 4.506 9.472 -7.930 586 HG22 ILE 79 HG22 ILE 79 5.408 8.421 -6.839 587 HG23 ILE 79 HG23 ILE 79 5.421 10.167 -6.592 588 HD11 ILE 79 HD11 ILE 79 1.410 7.563 -8.080 589 HD12 ILE 79 HD12 ILE 79 2.885 8.400 -8.567 590 HD13 ILE 79 HD13 ILE 79 1.594 9.287 -7.755 591 H TYR 80 H TYR 80 2.944 11.147 -3.810 592 HA TYR 80 HA TYR 80 0.847 9.822 -2.168 593 HB2 TYR 80 HB2 TYR 80 2.262 12.432 -1.579 594 HB3 TYR 80 HB3 TYR 80 1.045 11.644 -0.576 595 HD1 TYR 80 HD2 TYR 80 4.407 11.089 -2.124 596 HD2 TYR 80 HD1 TYR 80 1.710 10.076 1.063 597 HE1 TYR 80 HE2 TYR 80 6.195 9.761 -1.032 598 HE2 TYR 80 HE1 TYR 80 3.498 8.746 2.153 599 HH TYR 80 HH TYR 80 6.536 9.038 1.703 600 H SER 81 H SER 81 -1.114 11.033 -1.934 601 HA SER 81 HA SER 81 -1.585 13.345 -3.612 602 HB2 SER 81 HB2 SER 81 -3.075 10.781 -4.220 603 HB3 SER 81 HB3 SER 81 -3.249 12.332 -5.040 604 HG SER 81 HG SER 81 -0.869 10.794 -4.918 605 H LEU 82 H LEU 82 -4.229 13.507 -3.675 606 HA LEU 82 HA LEU 82 -5.015 13.523 -0.834 607 HB2 LEU 82 HB2 LEU 82 -6.816 15.035 -1.585 608 HB3 LEU 82 HB3 LEU 82 -5.206 15.637 -1.934 609 HG LEU 82 HG LEU 82 -5.676 14.350 -4.283 610 HD11 LEU 82 HD11 LEU 82 -7.914 13.574 -3.774 611 HD12 LEU 82 HD12 LEU 82 -8.027 14.863 -4.967 612 HD13 LEU 82 HD13 LEU 82 -8.408 15.194 -3.280 613 HD21 LEU 82 HD21 LEU 82 -6.319 16.499 -5.241 614 HD22 LEU 82 HD22 LEU 82 -5.072 16.737 -4.015 615 HD23 LEU 82 HD23 LEU 82 -6.756 17.105 -3.643 616 H ASP 83 H ASP 83 -7.241 12.913 -0.299 617 HA ASP 83 HA ASP 83 -7.845 10.307 -1.126 618 HB2 ASP 83 HB2 ASP 83 -8.585 11.323 1.016 619 HB3 ASP 83 HB3 ASP 83 -9.725 12.325 0.122 620 H ASP 84 H ASP 84 -10.827 11.702 -1.292 621 HA ASP 84 HA ASP 84 -11.041 11.192 -4.150 622 HB2 ASP 84 HB2 ASP 84 -13.214 12.187 -2.308 623 HB3 ASP 84 HB3 ASP 84 -13.388 11.292 -3.815 624 H ILE 85 H ILE 85 -13.339 13.213 -4.091 625 HA ILE 85 HA ILE 85 -11.732 15.614 -4.780 626 HB ILE 85 HB ILE 85 -14.505 14.811 -5.692 627 HG12 ILE 85 HG12 ILE 85 -11.930 14.876 -7.284 628 HG13 ILE 85 HG13 ILE 85 -12.553 13.407 -6.533 629 HG21 ILE 85 HG21 ILE 85 -14.009 16.665 -7.380 630 HG22 ILE 85 HG22 ILE 85 -12.664 17.125 -6.336 631 HG23 ILE 85 HG23 ILE 85 -14.318 17.197 -5.727 632 HD11 ILE 85 HD11 ILE 85 -13.970 15.115 -8.601 633 HD12 ILE 85 HD12 ILE 85 -14.694 13.729 -7.785 634 HD13 ILE 85 HD13 ILE 85 -13.308 13.499 -8.851 635 H HIS 86 H HIS 86 -14.173 14.314 -2.714 636 HA HIS 86 HA HIS 86 -15.687 16.500 -1.981 637 HB2 HIS 86 HB2 HIS 86 -14.572 14.392 -0.113 638 HB3 HIS 86 HB3 HIS 86 -15.986 15.405 0.183 639 HD1 HIS 86 HD1 HIS 86 -16.022 12.218 -0.087 640 HD2 HIS 86 HD2 HIS 86 -17.102 14.936 -3.058 641 HE1 HIS 86 HE1 HIS 86 -17.530 10.966 -1.689 642 HE2 HIS 86 HE2 HIS 86 -18.191 12.605 -3.511 643 H VAL 87 H VAL 87 -12.384 15.706 -1.060 644 HA VAL 87 HA VAL 87 -12.110 17.659 0.982 645 HB VAL 87 HB VAL 87 -9.672 17.343 0.647 646 HG11 VAL 87 HG11 VAL 87 -9.708 14.846 1.063 647 HG12 VAL 87 HG12 VAL 87 -11.430 14.876 0.686 648 HG13 VAL 87 HG13 VAL 87 -10.816 15.772 2.075 649 HG21 VAL 87 HG21 VAL 87 -9.442 17.095 -1.706 650 HG22 VAL 87 HG22 VAL 87 -10.658 15.821 -1.772 651 HG23 VAL 87 HG23 VAL 87 -9.082 15.499 -1.053 652 H ALA 88 H ALA 88 -11.274 17.692 -2.480 653 HA ALA 88 HA ALA 88 -10.185 20.257 -2.618 654 HB1 ALA 88 HB1 ALA 88 -10.954 20.209 -5.017 655 HB2 ALA 88 HB2 ALA 88 -11.794 18.702 -4.655 656 HB3 ALA 88 HB3 ALA 88 -10.038 18.787 -4.520 657 H THR 89 H THR 89 -13.454 19.239 -2.166 658 HA THR 89 HA THR 89 -14.668 21.725 -2.990 659 HB THR 89 HB THR 89 -15.902 19.600 -1.235 660 HG1 THR 89 HG1 THR 89 -16.584 18.697 -3.244 661 HG21 THR 89 HG21 THR 89 -17.076 21.799 -1.584 662 HG22 THR 89 HG22 THR 89 -17.976 20.408 -2.189 663 HG23 THR 89 HG23 THR 89 -17.104 21.451 -3.313 664 H MET 90 H MET 90 -13.532 20.281 0.006 665 HA MET 90 HA MET 90 -14.732 22.045 1.837 666 HB2 MET 90 HB2 MET 90 -12.107 20.544 1.964 667 HB3 MET 90 HB3 MET 90 -12.809 21.415 3.329 668 HG2 MET 90 HG2 MET 90 -14.292 19.262 1.799 669 HG3 MET 90 HG3 MET 90 -13.349 18.936 3.254 670 HE1 MET 90 HE1 MET 90 -15.095 18.364 5.255 671 HE2 MET 90 HE2 MET 90 -15.603 17.835 3.652 672 HE3 MET 90 HE3 MET 90 -16.768 18.586 4.741 673 H LEU 91 H LEU 91 -11.918 22.376 -0.221 674 HA LEU 91 HA LEU 91 -10.867 24.711 1.072 675 HB2 LEU 91 HB2 LEU 91 -10.398 23.942 -1.807 676 HB3 LEU 91 HB3 LEU 91 -9.317 24.804 -0.713 677 HG LEU 91 HG LEU 91 -10.155 21.898 -0.481 678 HD11 LEU 91 HD11 LEU 91 -8.478 22.470 -2.265 679 HD12 LEU 91 HD12 LEU 91 -7.836 21.413 -1.008 680 HD13 LEU 91 HD13 LEU 91 -7.436 23.131 -1.006 681 HD21 LEU 91 HD21 LEU 91 -9.888 22.691 1.746 682 HD22 LEU 91 HD22 LEU 91 -8.521 23.714 1.302 683 HD23 LEU 91 HD23 LEU 91 -8.336 21.961 1.343 684 H LYS 92 H LYS 92 -12.686 24.197 -1.952 685 HA LYS 92 HA LYS 92 -13.003 26.939 -2.572 686 HB2 LYS 92 HB2 LYS 92 -14.588 24.487 -3.360 687 HB3 LYS 92 HB3 LYS 92 -14.908 26.094 -4.010 688 HG2 LYS 92 HG2 LYS 92 -12.523 26.209 -4.764 689 HG3 LYS 92 HG3 LYS 92 -12.312 24.542 -4.227 690 HD2 LYS 92 HD2 LYS 92 -14.198 23.880 -5.748 691 HD3 LYS 92 HD3 LYS 92 -14.222 25.533 -6.363 692 HE2 LYS 92 HE2 LYS 92 -11.731 23.813 -6.382 693 HE3 LYS 92 HE3 LYS 92 -12.858 23.877 -7.737 694 HZ1 LYS 92 HZ1 LYS 92 -10.976 25.875 -6.793 695 HZ2 LYS 92 HZ2 LYS 92 -12.492 26.467 -7.275 696 HZ3 LYS 92 HZ3 LYS 92 -11.544 25.571 -8.364 697 H GLN 93 H GLN 93 -15.468 24.653 -1.383 698 HA GLN 93 HA GLN 93 -17.541 26.307 -0.869 699 HB2 GLN 93 HB2 GLN 93 -17.387 23.811 -0.421 700 HB3 GLN 93 HB3 GLN 93 -16.675 24.223 1.138 701 HG2 GLN 93 HG2 GLN 93 -18.660 25.531 1.728 702 HG3 GLN 93 HG3 GLN 93 -19.367 25.208 0.146 703 HE21 GLN 93 HE21 GLN 93 -17.614 22.503 1.275 704 HE22 GLN 93 HE22 GLN 93 -18.925 21.612 1.882 705 H ALA 94 H ALA 94 -14.601 26.053 1.070 706 HA ALA 94 HA ALA 94 -15.515 27.480 3.326 707 HB1 ALA 94 HB1 ALA 94 -13.173 27.721 3.897 708 HB2 ALA 94 HB2 ALA 94 -12.692 27.370 2.237 709 HB3 ALA 94 HB3 ALA 94 -13.426 26.109 3.228 710 H ILE 95 H ILE 95 -13.310 28.660 0.771 711 HA ILE 95 HA ILE 95 -13.594 31.383 1.501 712 HB ILE 95 HB ILE 95 -12.546 31.812 -0.747 713 HG12 ILE 95 HG12 ILE 95 -12.623 28.783 -0.913 714 HG13 ILE 95 HG13 ILE 95 -13.603 29.872 -1.895 715 HG21 ILE 95 HG21 ILE 95 -11.220 31.349 1.312 716 HG22 ILE 95 HG22 ILE 95 -10.415 30.770 -0.147 717 HG23 ILE 95 HG23 ILE 95 -11.246 29.631 0.914 718 HD11 ILE 95 HD11 ILE 95 -10.573 29.734 -1.849 719 HD12 ILE 95 HD12 ILE 95 -11.512 30.915 -2.765 720 HD13 ILE 95 HD13 ILE 95 -11.624 29.199 -3.161 721 H HIS 96 H HIS 96 -15.770 29.311 0.038 722 HA HIS 96 HA HIS 96 -16.986 31.180 -1.794 723 HB2 HIS 96 HB2 HIS 96 -17.114 28.667 -2.013 724 HB3 HIS 96 HB3 HIS 96 -18.212 28.671 -0.631 725 HD1 HIS 96 HD1 HIS 96 -20.013 31.003 -1.168 726 HD2 HIS 96 HD2 HIS 96 -18.760 28.463 -4.228 727 HE1 HIS 96 HE1 HIS 96 -21.694 31.259 -3.044 728 HE2 HIS 96 HE2 HIS 96 -20.939 29.727 -4.921 729 H HIS 97 H HIS 97 -17.740 29.936 1.452 730 HA HIS 97 HA HIS 97 -20.055 31.643 1.736 731 HB2 HIS 97 HB2 HIS 97 -19.934 29.462 2.879 732 HB3 HIS 97 HB3 HIS 97 -18.544 30.028 3.805 733 HD1 HIS 97 HD1 HIS 97 -22.226 30.097 3.733 734 HD2 HIS 97 HD2 HIS 97 -19.197 32.266 5.604 735 HE1 HIS 97 HE1 HIS 97 -23.328 31.396 5.604 736 HE2 HIS 97 HE2 HIS 97 -21.498 32.734 6.749 737 H ALA 98 H ALA 98 -16.697 32.009 2.074 738 HA ALA 98 HA ALA 98 -16.750 34.031 4.138 739 HB1 ALA 98 HB1 ALA 98 -14.786 32.513 3.652 740 HB2 ALA 98 HB2 ALA 98 -14.394 34.229 3.755 741 HB3 ALA 98 HB3 ALA 98 -14.523 33.446 2.179 742 H ASN 99 H ASN 99 -17.687 34.001 0.948 743 HA ASN 99 HA ASN 99 -17.867 36.870 0.843 744 HB2 ASN 99 HB2 ASN 99 -15.479 36.351 0.119 745 HB3 ASN 99 HB3 ASN 99 -16.181 35.571 -1.298 746 HD21 ASN 99 HD21 ASN 99 -15.104 37.321 -2.601 747 HD22 ASN 99 HD22 ASN 99 -15.842 38.846 -2.700 748 H HIS 100 H HIS 100 -18.623 37.506 -1.494 749 HA HIS 100 HA HIS 100 -20.076 35.494 -2.956 750 HB2 HIS 100 HB2 HIS 100 -21.521 37.394 -1.107 751 HB3 HIS 100 HB3 HIS 100 -22.312 36.683 -2.512 752 HD1 HIS 100 HD1 HIS 100 -21.787 36.051 0.971 753 HD2 HIS 100 HD2 HIS 100 -21.945 33.642 -2.429 754 HE1 HIS 100 HE1 HIS 100 -22.237 33.696 1.782 755 HE2 HIS 100 HE2 HIS 100 -22.333 32.214 -0.276 756 HA PRO 101 HA PRO 101 -19.104 39.484 -5.124 757 HB2 PRO 101 HB2 PRO 101 -17.207 38.624 -6.845 758 HB3 PRO 101 HB3 PRO 101 -16.824 38.958 -5.146 759 HG2 PRO 101 HG2 PRO 101 -17.351 36.330 -6.482 760 HG3 PRO 101 HG3 PRO 101 -16.085 36.757 -5.323 761 HD2 PRO 101 HD2 PRO 101 -18.450 35.483 -4.623 762 HD3 PRO 101 HD3 PRO 101 -17.497 36.469 -3.496 763 H LYS 102 H LYS 102 -18.900 39.703 -7.728 764 HA LYS 102 HA LYS 102 -20.487 37.765 -9.189 765 HB2 LYS 102 HB2 LYS 102 -22.153 39.195 -7.922 766 HB3 LYS 102 HB3 LYS 102 -21.588 40.564 -8.879 767 HG2 LYS 102 HG2 LYS 102 -22.080 39.142 -10.945 768 HG3 LYS 102 HG3 LYS 102 -22.926 38.036 -9.864 769 HD2 LYS 102 HD2 LYS 102 -23.550 40.977 -10.263 770 HD3 LYS 102 HD3 LYS 102 -24.517 39.622 -10.840 771 HE2 LYS 102 HE2 LYS 102 -25.613 40.240 -8.857 772 HE3 LYS 102 HE3 LYS 102 -24.589 38.908 -8.327 773 HZ1 LYS 102 HZ1 LYS 102 -23.158 41.346 -8.230 774 HZ2 LYS 102 HZ2 LYS 102 -23.514 40.266 -6.968 775 HZ3 LYS 102 HZ3 LYS 102 -24.611 41.501 -7.365 776 H GLU 103 H GLU 103 -20.087 37.861 -11.339 777 HA GLU 103 HA GLU 103 -19.142 40.236 -12.654 778 HB2 GLU 103 HB2 GLU 103 -17.105 39.433 -11.398 779 HB3 GLU 103 HB3 GLU 103 -17.166 37.963 -12.369 780 HG2 GLU 103 HG2 GLU 103 -16.988 39.311 -14.428 781 HG3 GLU 103 HG3 GLU 103 -16.937 40.784 -13.462 782 H ASN 9 H ASN 9 -4.530 33.759 -1.052 783 HA ASN 9 HA ASN 9 -2.711 35.538 -1.233 784 HB2 ASN 9 HB2 ASN 9 -5.221 37.198 -0.853 785 HB3 ASN 9 HB3 ASN 9 -3.573 37.798 -0.665 786 HD21 ASN 9 HD21 ASN 9 -3.509 35.495 -3.108 787 HD22 ASN 9 HD22 ASN 9 -3.689 36.527 -4.445 788 H THR 10 H THR 10 -1.970 36.358 0.832 789 HA THR 10 HA THR 10 -2.535 34.687 2.994 790 HB THR 10 HB THR 10 -0.453 35.885 2.923 791 HG1 THR 10 HG1 THR 10 -2.028 37.026 4.984 792 HG21 THR 10 HG21 THR 10 -0.392 38.357 3.147 793 HG22 THR 10 HG22 THR 10 -2.154 38.393 3.073 794 HG23 THR 10 HG23 THR 10 -1.224 37.854 1.676 795 H ASP 11 H ASP 11 -4.322 37.319 1.789 796 HA ASP 11 HA ASP 11 -5.470 38.331 4.169 797 HB2 ASP 11 HB2 ASP 11 -5.556 39.374 1.855 798 HB3 ASP 11 HB3 ASP 11 -6.819 38.208 1.469 799 H THR 12 H THR 12 -7.027 36.224 1.736 800 HA THR 12 HA THR 12 -9.104 35.475 3.551 801 HB THR 12 HB THR 12 -9.423 35.558 1.097 802 HG1 THR 12 HG1 THR 12 -9.967 32.977 1.331 803 HG21 THR 12 HG21 THR 12 -7.087 34.502 0.688 804 HG22 THR 12 HG22 THR 12 -8.410 34.015 -0.371 805 HG23 THR 12 HG23 THR 12 -7.905 32.961 0.948 806 H LEU 13 H LEU 13 -6.213 33.803 2.302 807 HA LEU 13 HA LEU 13 -6.536 31.303 3.403 808 HB2 LEU 13 HB2 LEU 13 -4.202 33.049 2.796 809 HB3 LEU 13 HB3 LEU 13 -3.860 31.693 3.855 810 HG LEU 13 HG LEU 13 -3.483 31.228 1.431 811 HD11 LEU 13 HD11 LEU 13 -4.253 29.485 3.254 812 HD12 LEU 13 HD12 LEU 13 -4.189 29.030 1.556 813 HD13 LEU 13 HD13 LEU 13 -5.732 29.432 2.297 814 HD21 LEU 13 HD21 LEU 13 -5.588 32.628 0.790 815 HD22 LEU 13 HD22 LEU 13 -6.467 31.125 1.075 816 HD23 LEU 13 HD23 LEU 13 -5.200 31.186 -0.145 817 H GLU 14 H GLU 14 -6.057 34.310 5.056 818 HA GLU 14 HA GLU 14 -5.230 33.161 7.555 819 HB2 GLU 14 HB2 GLU 14 -4.699 35.492 6.958 820 HB3 GLU 14 HB3 GLU 14 -6.419 35.880 6.958 821 HG2 GLU 14 HG2 GLU 14 -6.610 35.453 9.305 822 HG3 GLU 14 HG3 GLU 14 -5.017 34.700 9.364 823 H ARG 15 H ARG 15 -8.282 34.673 6.466 824 HA ARG 15 HA ARG 15 -9.756 34.053 8.777 825 HB2 ARG 15 HB2 ARG 15 -10.526 34.659 5.926 826 HB3 ARG 15 HB3 ARG 15 -11.756 34.265 7.124 827 HG2 ARG 15 HG2 ARG 15 -11.426 36.702 6.957 828 HG3 ARG 15 HG3 ARG 15 -10.976 36.106 8.553 829 HD2 ARG 15 HD2 ARG 15 -8.657 36.271 8.079 830 HD3 ARG 15 HD3 ARG 15 -8.939 36.419 6.347 831 HE ARG 15 HE ARG 15 -10.197 38.605 7.296 832 HH11 ARG 15 HH21 ARG 15 -7.098 37.217 7.970 833 HH12 ARG 15 HH22 ARG 15 -6.324 38.741 8.250 834 HH21 ARG 15 HH11 ARG 15 -9.191 40.603 7.675 835 HH22 ARG 15 HH12 ARG 15 -7.509 40.657 8.086 836 H VAL 16 H VAL 16 -9.260 32.215 5.783 837 HA VAL 16 HA VAL 16 -11.164 30.245 6.089 838 HB VAL 16 HB VAL 16 -8.347 29.960 5.022 839 HG11 VAL 16 HG11 VAL 16 -9.458 28.060 3.719 840 HG12 VAL 16 HG12 VAL 16 -10.788 28.180 4.871 841 HG13 VAL 16 HG13 VAL 16 -9.173 27.755 5.433 842 HG21 VAL 16 HG21 VAL 16 -9.958 31.685 3.998 843 HG22 VAL 16 HG22 VAL 16 -10.931 30.306 3.488 844 HG23 VAL 16 HG23 VAL 16 -9.281 30.486 2.896 845 H THR 17 H THR 17 -8.439 30.829 8.086 846 HA THR 17 HA THR 17 -8.382 28.109 9.183 847 HB THR 17 HB THR 17 -6.520 28.894 10.511 848 HG1 THR 17 HG1 THR 17 -6.371 30.914 10.983 849 HG21 THR 17 HG21 THR 17 -5.942 28.274 8.251 850 HG22 THR 17 HG22 THR 17 -5.027 29.727 8.654 851 HG23 THR 17 HG23 THR 17 -6.461 29.842 7.636 852 H GLU 18 H GLU 18 -9.430 31.361 10.042 853 HA GLU 18 HA GLU 18 -9.952 30.756 12.782 854 HB2 GLU 18 HB2 GLU 18 -9.492 33.044 11.958 855 HB3 GLU 18 HB3 GLU 18 -11.025 33.021 11.085 856 HG2 GLU 18 HG2 GLU 18 -12.282 32.866 13.118 857 HG3 GLU 18 HG3 GLU 18 -10.833 32.538 14.066 858 H ILE 19 H ILE 19 -11.727 30.210 9.879 859 HA ILE 19 HA ILE 19 -14.338 30.252 11.088 860 HB ILE 19 HB ILE 19 -15.016 29.077 8.953 861 HG12 ILE 19 HG12 ILE 19 -12.164 29.648 8.134 862 HG13 ILE 19 HG13 ILE 19 -12.694 28.050 8.660 863 HG21 ILE 19 HG21 ILE 19 -15.186 31.477 9.080 864 HG22 ILE 19 HG22 ILE 19 -14.441 31.092 7.529 865 HG23 ILE 19 HG23 ILE 19 -13.445 31.665 8.867 866 HD11 ILE 19 HD11 ILE 19 -13.862 29.632 6.349 867 HD12 ILE 19 HD12 ILE 19 -14.410 28.041 6.879 868 HD13 ILE 19 HD13 ILE 19 -12.793 28.236 6.202 869 H PHE 20 H PHE 20 -11.838 27.847 10.608 870 HA PHE 20 HA PHE 20 -13.542 25.607 11.252 871 HB2 PHE 20 HB2 PHE 20 -10.544 25.914 11.004 872 HB3 PHE 20 HB3 PHE 20 -11.322 24.393 11.437 873 HD1 PHE 20 HD1 PHE 20 -13.383 23.726 9.865 874 HD2 PHE 20 HD2 PHE 20 -10.130 26.289 8.725 875 HE1 PHE 20 HE1 PHE 20 -13.869 23.281 7.476 876 HE2 PHE 20 HE2 PHE 20 -10.623 25.852 6.335 877 HZ PHE 20 HZ PHE 20 -12.492 24.348 5.710 878 H LYS 21 H LYS 21 -10.816 27.197 12.930 879 HA LYS 21 HA LYS 21 -10.860 25.857 15.307 880 HB2 LYS 21 HB2 LYS 21 -10.422 28.816 14.851 881 HB3 LYS 21 HB3 LYS 21 -10.036 27.978 16.355 882 HG2 LYS 21 HG2 LYS 21 -8.562 26.428 15.054 883 HG3 LYS 21 HG3 LYS 21 -8.874 27.397 13.614 884 HD2 LYS 21 HD2 LYS 21 -7.975 29.394 14.809 885 HD3 LYS 21 HD3 LYS 21 -7.577 28.360 16.181 886 HE2 LYS 21 HE2 LYS 21 -6.095 27.014 14.757 887 HE3 LYS 21 HE3 LYS 21 -6.517 28.004 13.360 888 HZ1 LYS 21 HZ1 LYS 21 -4.398 28.508 14.789 889 HZ2 LYS 21 HZ2 LYS 21 -5.513 29.346 15.760 890 HZ3 LYS 21 HZ3 LYS 21 -5.324 29.767 14.125 891 H ALA 22 H ALA 22 -13.141 28.295 14.216 892 HA ALA 22 HA ALA 22 -14.378 28.836 16.697 893 HB1 ALA 22 HB1 ALA 22 -14.648 30.132 14.529 894 HB2 ALA 22 HB2 ALA 22 -16.136 29.833 15.426 895 HB3 ALA 22 HB3 ALA 22 -15.753 28.860 14.006 896 H LEU 23 H LEU 23 -14.593 26.159 14.518 897 HA LEU 23 HA LEU 23 -17.014 25.077 15.794 898 HB2 LEU 23 HB2 LEU 23 -15.370 23.767 13.631 899 HB3 LEU 23 HB3 LEU 23 -17.061 23.488 14.043 900 HG LEU 23 HG LEU 23 -15.917 26.043 12.869 901 HD11 LEU 23 HD11 LEU 23 -16.013 24.346 11.174 902 HD12 LEU 23 HD12 LEU 23 -17.432 25.368 10.945 903 HD13 LEU 23 HD13 LEU 23 -17.595 23.796 11.727 904 HD21 LEU 23 HD21 LEU 23 -18.431 26.544 12.630 905 HD22 LEU 23 HD22 LEU 23 -17.750 26.675 14.250 906 HD23 LEU 23 HD23 LEU 23 -18.684 25.249 13.799 907 H GLY 24 H GLY 24 -13.982 25.313 16.731 908 HA2 GLY 24 HA2 GLY 24 -12.873 22.817 17.106 909 HA3 GLY 24 HA3 GLY 24 -12.689 24.150 18.241 910 H ASP 25 H ASP 25 -14.362 24.404 19.902 911 HA ASP 25 HA ASP 25 -14.767 22.279 21.513 912 HB2 ASP 25 HB2 ASP 25 -16.658 24.596 21.064 913 HB3 ASP 25 HB3 ASP 25 -16.784 23.471 22.415 914 H TYR 26 H TYR 26 -15.984 20.490 21.616 915 HA TYR 26 HA TYR 26 -17.503 19.693 19.320 916 HB2 TYR 26 HB2 TYR 26 -17.917 17.626 20.610 917 HB3 TYR 26 HB3 TYR 26 -16.208 18.060 20.600 918 HD1 TYR 26 HD1 TYR 26 -15.177 19.143 22.601 919 HD2 TYR 26 HD2 TYR 26 -19.202 17.642 22.639 920 HE1 TYR 26 HE1 TYR 26 -15.173 19.190 25.081 921 HE2 TYR 26 HE2 TYR 26 -19.199 17.693 25.118 922 HH TYR 26 HH TYR 26 -17.908 17.924 26.948 923 H ASN 27 H ASN 27 -18.257 21.031 22.460 924 HA ASN 27 HA ASN 27 -20.953 20.338 22.696 925 HB2 ASN 27 HB2 ASN 27 -19.753 21.445 24.501 926 HB3 ASN 27 HB3 ASN 27 -19.551 22.893 23.516 927 HD21 ASN 27 HD21 ASN 27 -21.782 23.811 22.670 928 HD22 ASN 27 HD22 ASN 27 -23.053 23.803 23.797 929 H ARG 28 H ARG 28 -19.433 23.033 20.965 930 HA ARG 28 HA ARG 28 -21.828 24.300 20.158 931 HB2 ARG 28 HB2 ARG 28 -19.122 24.322 18.799 932 HB3 ARG 28 HB3 ARG 28 -20.425 25.480 18.533 933 HG2 ARG 28 HG2 ARG 28 -20.300 26.194 20.876 934 HG3 ARG 28 HG3 ARG 28 -19.048 24.993 21.193 935 HD2 ARG 28 HD2 ARG 28 -17.592 26.092 19.517 936 HD3 ARG 28 HD3 ARG 28 -18.835 27.309 19.246 937 HE ARG 28 HE ARG 28 -17.057 27.128 21.536 938 HH11 ARG 28 HH21 ARG 28 -20.001 28.360 20.201 939 HH12 ARG 28 HH22 ARG 28 -20.114 29.683 21.313 940 HH21 ARG 28 HH11 ARG 28 -17.198 28.860 22.999 941 HH22 ARG 28 HH12 ARG 28 -18.527 29.965 22.898 942 H ILE 29 H ILE 29 -19.895 21.721 18.723 943 HA ILE 29 HA ILE 29 -21.169 21.746 16.191 944 HB ILE 29 HB ILE 29 -19.796 19.414 17.545 945 HG12 ILE 29 HG12 ILE 29 -18.656 21.581 15.751 946 HG13 ILE 29 HG13 ILE 29 -18.416 21.494 17.494 947 HG21 ILE 29 HG21 ILE 29 -19.370 18.717 15.201 948 HG22 ILE 29 HG22 ILE 29 -20.296 20.104 14.630 949 HG23 ILE 29 HG23 ILE 29 -21.096 18.819 15.534 950 HD11 ILE 29 HD11 ILE 29 -17.403 19.614 15.364 951 HD12 ILE 29 HD12 ILE 29 -17.511 19.107 17.050 952 HD13 ILE 29 HD13 ILE 29 -16.484 20.468 16.602 953 H ARG 30 H ARG 30 -22.061 20.329 19.273 954 HA ARG 30 HA ARG 30 -23.938 18.453 18.198 955 HB2 ARG 30 HB2 ARG 30 -22.970 18.122 20.410 956 HB3 ARG 30 HB3 ARG 30 -23.626 19.661 20.960 957 HG2 ARG 30 HG2 ARG 30 -24.985 17.716 21.709 958 HG3 ARG 30 HG3 ARG 30 -25.906 18.828 20.706 959 HD2 ARG 30 HD2 ARG 30 -25.905 17.366 18.869 960 HD3 ARG 30 HD3 ARG 30 -24.505 16.470 19.455 961 HE ARG 30 HE ARG 30 -26.643 16.197 21.294 962 HH11 ARG 30 HH21 ARG 30 -25.610 15.272 18.125 963 HH12 ARG 30 HH22 ARG 30 -26.466 13.766 18.134 964 HH21 ARG 30 HH11 ARG 30 -27.764 14.220 21.317 965 HH22 ARG 30 HH12 ARG 30 -27.683 13.169 19.943 966 H ILE 31 H ILE 31 -24.045 21.790 19.317 967 HA ILE 31 HA ILE 31 -26.869 22.065 19.369 968 HB ILE 31 HB ILE 31 -24.758 24.185 18.898 969 HG12 ILE 31 HG12 ILE 31 -26.093 23.327 21.483 970 HG13 ILE 31 HG13 ILE 31 -24.488 22.792 20.989 971 HG21 ILE 31 HG21 ILE 31 -27.654 24.304 19.788 972 HG22 ILE 31 HG22 ILE 31 -26.970 24.993 18.315 973 HG23 ILE 31 HG23 ILE 31 -26.537 25.666 19.887 974 HD11 ILE 31 HD11 ILE 31 -23.874 25.263 20.780 975 HD12 ILE 31 HD12 ILE 31 -24.143 24.677 22.421 976 HD13 ILE 31 HD13 ILE 31 -25.394 25.613 21.604 977 H MET 32 H MET 32 -24.446 22.929 16.898 978 HA MET 32 HA MET 32 -26.160 23.976 14.974 979 HB2 MET 32 HB2 MET 32 -23.622 22.366 14.607 980 HB3 MET 32 HB3 MET 32 -24.415 23.282 13.327 981 HG2 MET 32 HG2 MET 32 -23.590 24.548 15.947 982 HG3 MET 32 HG3 MET 32 -22.514 24.481 14.551 983 HE1 MET 32 HE1 MET 32 -23.362 28.103 14.358 984 HE2 MET 32 HE2 MET 32 -22.343 26.991 13.443 985 HE3 MET 32 HE3 MET 32 -22.425 26.868 15.201 986 H GLU 33 H GLU 33 -25.568 20.660 15.887 987 HA GLU 33 HA GLU 33 -26.687 19.404 13.595 988 HB2 GLU 33 HB2 GLU 33 -25.277 18.319 15.432 989 HB3 GLU 33 HB3 GLU 33 -26.749 18.292 16.404 990 HG2 GLU 33 HG2 GLU 33 -27.891 17.035 14.583 991 HG3 GLU 33 HG3 GLU 33 -26.377 17.005 13.682 992 H LEU 34 H LEU 34 -28.056 20.298 16.755 993 HA LEU 34 HA LEU 34 -30.632 19.335 16.462 994 HB2 LEU 34 HB2 LEU 34 -29.877 20.315 18.544 995 HB3 LEU 34 HB3 LEU 34 -29.665 21.884 17.778 996 HG LEU 34 HG LEU 34 -32.062 22.096 17.427 997 HD11 LEU 34 HD11 LEU 34 -33.527 20.255 18.538 998 HD12 LEU 34 HD12 LEU 34 -32.093 19.238 18.401 999 HD13 LEU 34 HD13 LEU 34 -32.839 19.917 16.954 1000 HD21 LEU 34 HD21 LEU 34 -31.479 21.112 20.233 1001 HD22 LEU 34 HD22 LEU 34 -32.786 22.197 19.760 1002 HD23 LEU 34 HD23 LEU 34 -31.110 22.728 19.632 1003 H LEU 35 H LEU 35 -29.167 22.248 15.125 1004 HA LEU 35 HA LEU 35 -31.528 23.471 14.173 1005 HB2 LEU 35 HB2 LEU 35 -28.818 23.666 12.860 1006 HB3 LEU 35 HB3 LEU 35 -30.103 24.872 12.878 1007 HG LEU 35 HG LEU 35 -28.509 23.927 15.279 1008 HD11 LEU 35 HD11 LEU 35 -27.492 26.097 15.239 1009 HD12 LEU 35 HD12 LEU 35 -28.609 26.667 13.998 1010 HD13 LEU 35 HD13 LEU 35 -27.382 25.465 13.597 1011 HD21 LEU 35 HD21 LEU 35 -30.664 24.450 16.113 1012 HD22 LEU 35 HD22 LEU 35 -30.873 25.786 14.981 1013 HD23 LEU 35 HD23 LEU 35 -29.752 25.941 16.333 1014 H SER 36 H SER 36 -29.376 21.048 12.744 1015 HA SER 36 HA SER 36 -30.353 21.073 10.132 1016 HB2 SER 36 HB2 SER 36 -28.361 19.780 11.045 1017 HB3 SER 36 HB3 SER 36 -29.518 18.579 11.614 1018 HG SER 36 HG SER 36 -28.530 18.922 9.160 1019 H VAL 37 H VAL 37 -31.685 19.643 13.048 1020 HA VAL 37 HA VAL 37 -33.648 18.049 11.680 1021 HB VAL 37 HB VAL 37 -33.657 18.945 14.569 1022 HG11 VAL 37 HG11 VAL 37 -34.865 16.551 13.148 1023 HG12 VAL 37 HG12 VAL 37 -35.760 17.952 13.735 1024 HG13 VAL 37 HG13 VAL 37 -34.962 16.873 14.880 1025 HG21 VAL 37 HG21 VAL 37 -32.519 16.744 14.971 1026 HG22 VAL 37 HG22 VAL 37 -31.515 17.899 14.093 1027 HG23 VAL 37 HG23 VAL 37 -32.310 16.582 13.227 1028 H SER 38 H SER 38 -33.750 21.109 13.505 1029 HA SER 38 HA SER 38 -35.653 22.332 11.841 1030 HB2 SER 38 HB2 SER 38 -37.360 20.879 12.538 1031 HB3 SER 38 HB3 SER 38 -36.754 20.812 14.192 1032 HG SER 38 HG SER 38 -37.951 23.031 12.893 1033 H GLU 39 H GLU 39 -36.051 24.459 12.444 1034 HA GLU 39 HA GLU 39 -34.191 25.797 13.982 1035 HB2 GLU 39 HB2 GLU 39 -37.059 26.584 13.406 1036 HB3 GLU 39 HB3 GLU 39 -35.822 27.679 14.023 1037 HG2 GLU 39 HG2 GLU 39 -35.816 28.028 11.678 1038 HG3 GLU 39 HG3 GLU 39 -34.427 26.987 11.975 1039 H ALA 40 H ALA 40 -34.427 26.937 16.030 1040 HA ALA 40 HA ALA 40 -36.411 25.945 17.928 1041 HB1 ALA 40 HB1 ALA 40 -34.791 24.207 18.189 1042 HB2 ALA 40 HB2 ALA 40 -34.564 25.309 19.547 1043 HB3 ALA 40 HB3 ALA 40 -33.455 25.360 18.176 1044 H SER 41 H SER 41 -36.670 27.286 19.703 1045 HA SER 41 HA SER 41 -35.662 29.978 19.384 1046 HB2 SER 41 HB2 SER 41 -37.990 29.529 20.110 1047 HB3 SER 41 HB3 SER 41 -37.369 28.789 21.585 1048 HG SER 41 HG SER 41 -36.975 30.693 22.370 1049 H VAL 42 H VAL 42 -34.703 31.164 21.225 1050 HA VAL 42 HA VAL 42 -32.297 30.087 22.072 1051 HB VAL 42 HB VAL 42 -33.917 32.211 23.498 1052 HG11 VAL 42 HG11 VAL 42 -30.978 31.479 23.481 1053 HG12 VAL 42 HG12 VAL 42 -32.068 31.500 24.867 1054 HG13 VAL 42 HG13 VAL 42 -31.587 33.014 24.100 1055 HG21 VAL 42 HG21 VAL 42 -33.638 32.704 21.098 1056 HG22 VAL 42 HG22 VAL 42 -31.904 32.420 21.237 1057 HG23 VAL 42 HG23 VAL 42 -32.643 33.785 22.074 1058 H GLY 43 H GLY 43 -35.286 30.424 23.995 1059 HA2 GLY 43 HA2 GLY 43 -34.287 29.108 26.289 1060 HA3 GLY 43 HA3 GLY 43 -35.985 29.374 25.918 1061 H HIS 44 H HIS 44 -35.724 27.922 23.326 1062 HA HIS 44 HA HIS 44 -36.407 25.329 24.303 1063 HB2 HIS 44 HB2 HIS 44 -37.341 26.432 22.226 1064 HB3 HIS 44 HB3 HIS 44 -35.801 26.087 21.440 1065 HD1 HIS 44 HD1 HIS 44 -37.626 23.802 23.857 1066 HD2 HIS 44 HD2 HIS 44 -36.578 23.939 19.823 1067 HE1 HIS 44 HE1 HIS 44 -38.194 21.532 22.892 1068 HE2 HIS 44 HE2 HIS 44 -37.566 21.598 20.434 1069 H ILE 45 H ILE 45 -33.552 26.703 22.743 1070 HA ILE 45 HA ILE 45 -32.209 24.224 22.321 1071 HB ILE 45 HB ILE 45 -31.140 27.047 22.565 1072 HG12 ILE 45 HG12 ILE 45 -31.551 25.336 20.103 1073 HG13 ILE 45 HG13 ILE 45 -32.766 26.473 20.687 1074 HG21 ILE 45 HG21 ILE 45 -29.837 24.439 21.757 1075 HG22 ILE 45 HG22 ILE 45 -29.302 25.577 22.993 1076 HG23 ILE 45 HG23 ILE 45 -29.185 26.007 21.286 1077 HD11 ILE 45 HD11 ILE 45 -31.223 28.331 20.442 1078 HD12 ILE 45 HD12 ILE 45 -31.255 27.435 18.922 1079 HD13 ILE 45 HD13 ILE 45 -29.904 27.233 20.037 1080 H SER 46 H SER 46 -32.846 26.065 25.113 1081 HA SER 46 HA SER 46 -30.559 25.564 26.677 1082 HB2 SER 46 HB2 SER 46 -32.502 27.133 27.199 1083 HB3 SER 46 HB3 SER 46 -33.382 25.705 27.741 1084 HG SER 46 HG SER 46 -30.780 26.170 28.674 1085 H HIS 47 H HIS 47 -33.379 23.595 25.940 1086 HA HIS 47 HA HIS 47 -33.076 21.628 27.926 1087 HB2 HIS 47 HB2 HIS 47 -34.091 21.229 25.101 1088 HB3 HIS 47 HB3 HIS 47 -34.438 20.213 26.500 1089 HD1 HIS 47 HD1 HIS 47 -36.462 22.087 24.704 1090 HD2 HIS 47 HD2 HIS 47 -35.144 22.743 28.605 1091 HE1 HIS 47 HE1 HIS 47 -38.181 23.589 25.797 1092 HE2 HIS 47 HE2 HIS 47 -37.394 24.001 28.175 1093 H GLN 48 H GLN 48 -31.045 22.433 25.358 1094 HA GLN 48 HA GLN 48 -29.950 19.753 24.957 1095 HB2 GLN 48 HB2 GLN 48 -30.213 21.484 23.115 1096 HB3 GLN 48 HB3 GLN 48 -28.888 22.364 23.877 1097 HG2 GLN 48 HG2 GLN 48 -27.874 20.990 22.209 1098 HG3 GLN 48 HG3 GLN 48 -27.551 20.191 23.746 1099 HE21 GLN 48 HE21 GLN 48 -28.004 17.990 23.723 1100 HE22 GLN 48 HE22 GLN 48 -29.143 17.239 22.713 1101 H LEU 49 H LEU 49 -28.634 22.926 25.945 1102 HA LEU 49 HA LEU 49 -26.258 21.681 27.046 1103 HB2 LEU 49 HB2 LEU 49 -27.057 24.569 27.385 1104 HB3 LEU 49 HB3 LEU 49 -25.438 23.870 27.333 1105 HG LEU 49 HG LEU 49 -27.397 24.072 25.028 1106 HD11 LEU 49 HD11 LEU 49 -24.634 25.269 25.375 1107 HD12 LEU 49 HD12 LEU 49 -26.127 26.144 25.715 1108 HD13 LEU 49 HD13 LEU 49 -25.781 25.595 24.075 1109 HD21 LEU 49 HD21 LEU 49 -26.254 22.006 24.723 1110 HD22 LEU 49 HD22 LEU 49 -24.730 22.673 25.313 1111 HD23 LEU 49 HD23 LEU 49 -25.362 23.167 23.742 1112 H ASN 50 H ASN 50 -29.296 22.949 28.226 1113 HA ASN 50 HA ASN 50 -30.244 22.980 30.317 1114 HB2 ASN 50 HB2 ASN 50 -28.095 21.010 31.113 1115 HB3 ASN 50 HB3 ASN 50 -29.696 21.208 31.822 1116 HD21 ASN 50 HD21 ASN 50 -31.419 21.204 29.697 1117 HD22 ASN 50 HD22 ASN 50 -31.263 19.781 28.785 1118 H LEU 51 H LEU 51 -29.626 25.140 30.713 1119 HA LEU 51 HA LEU 51 -28.131 25.564 33.053 1120 HB2 LEU 51 HB2 LEU 51 -26.330 25.187 31.144 1121 HB3 LEU 51 HB3 LEU 51 -26.736 26.835 30.704 1122 HG LEU 51 HG LEU 51 -26.371 27.306 33.290 1123 HD11 LEU 51 HD11 LEU 51 -24.559 25.859 34.207 1124 HD12 LEU 51 HD12 LEU 51 -24.779 24.765 32.845 1125 HD13 LEU 51 HD13 LEU 51 -26.083 24.997 34.011 1126 HD21 LEU 51 HD21 LEU 51 -24.037 26.741 31.437 1127 HD22 LEU 51 HD22 LEU 51 -24.005 27.792 32.853 1128 HD23 LEU 51 HD23 LEU 51 -24.985 28.227 31.453 1129 H SER 52 H SER 52 -27.282 28.302 32.114 1130 HA SER 52 HA SER 52 -29.841 29.595 32.503 1131 HB2 SER 52 HB2 SER 52 -27.039 30.666 32.096 1132 HB3 SER 52 HB3 SER 52 -28.450 31.684 32.384 1133 HG SER 52 HG SER 52 -28.578 29.867 34.215 1134 H GLN 53 H GLN 53 -31.051 30.636 31.006 1135 HA GLN 53 HA GLN 53 -30.782 30.000 28.278 1136 HB2 GLN 53 HB2 GLN 53 -32.338 32.313 29.459 1137 HB3 GLN 53 HB3 GLN 53 -32.629 31.519 27.911 1138 HG2 GLN 53 HG2 GLN 53 -32.985 29.365 29.202 1139 HG3 GLN 53 HG3 GLN 53 -32.953 30.330 30.677 1140 HE21 GLN 53 HE21 GLN 53 -35.009 30.922 31.358 1141 HE22 GLN 53 HE22 GLN 53 -36.338 31.190 30.337 1142 H SER 54 H SER 54 -29.813 32.845 30.132 1143 HA SER 54 HA SER 54 -29.139 34.514 27.964 1144 HB2 SER 54 HB2 SER 54 -27.972 34.413 30.757 1145 HB3 SER 54 HB3 SER 54 -27.760 35.738 29.614 1146 HG SER 54 HG SER 54 -29.681 35.496 31.307 1147 H ASN 55 H ASN 55 -27.652 31.684 29.163 1148 HA ASN 55 HA ASN 55 -24.943 32.205 28.541 1149 HB2 ASN 55 HB2 ASN 55 -25.777 30.290 29.926 1150 HB3 ASN 55 HB3 ASN 55 -26.363 29.534 28.445 1151 HD21 ASN 55 HD21 ASN 55 -23.784 29.443 30.520 1152 HD22 ASN 55 HD22 ASN 55 -22.566 28.961 29.440 1153 H VAL 56 H VAL 56 -27.580 30.767 26.643 1154 HA VAL 56 HA VAL 56 -25.923 30.332 24.330 1155 HB VAL 56 HB VAL 56 -28.930 30.273 24.686 1156 HG11 VAL 56 HG11 VAL 56 -28.776 28.909 22.535 1157 HG12 VAL 56 HG12 VAL 56 -27.132 29.525 22.369 1158 HG13 VAL 56 HG13 VAL 56 -28.497 30.641 22.360 1159 HG21 VAL 56 HG21 VAL 56 -26.833 28.084 24.549 1160 HG22 VAL 56 HG22 VAL 56 -28.575 27.820 24.650 1161 HG23 VAL 56 HG23 VAL 56 -27.717 28.575 25.993 1162 H SER 57 H SER 57 -28.152 32.823 25.429 1163 HA SER 57 HA SER 57 -28.476 34.212 23.002 1164 HB2 SER 57 HB2 SER 57 -29.219 36.064 24.342 1165 HB3 SER 57 HB3 SER 57 -29.774 34.590 25.133 1166 HG SER 57 HG SER 57 -28.838 35.838 26.691 1167 H HIS 58 H HIS 58 -26.027 34.490 25.553 1168 HA HIS 58 HA HIS 58 -24.648 36.676 24.333 1169 HB2 HIS 58 HB2 HIS 58 -24.549 36.051 26.776 1170 HB3 HIS 58 HB3 HIS 58 -23.539 34.680 26.317 1171 HD1 HIS 58 HD1 HIS 58 -22.805 37.378 24.063 1172 HD2 HIS 58 HD2 HIS 58 -21.623 36.418 27.945 1173 HE1 HIS 58 HE1 HIS 58 -20.700 38.706 24.520 1174 HE2 HIS 58 HE2 HIS 58 -19.972 38.143 26.886 1175 H GLN 59 H GLN 59 -24.237 33.156 24.300 1176 HA GLN 59 HA GLN 59 -21.790 33.239 22.807 1177 HB2 GLN 59 HB2 GLN 59 -22.581 31.357 24.333 1178 HB3 GLN 59 HB3 GLN 59 -23.675 30.891 23.031 1179 HG2 GLN 59 HG2 GLN 59 -21.801 30.583 21.507 1180 HG3 GLN 59 HG3 GLN 59 -20.673 31.182 22.721 1181 HE21 GLN 59 HE21 GLN 59 -23.375 28.788 22.886 1182 HE22 GLN 59 HE22 GLN 59 -22.425 27.556 23.567 1183 H LEU 60 H LEU 60 -25.178 33.172 22.009 1184 HA LEU 60 HA LEU 60 -24.967 32.190 19.372 1185 HB2 LEU 60 HB2 LEU 60 -27.093 32.249 20.565 1186 HB3 LEU 60 HB3 LEU 60 -27.035 34.005 20.637 1187 HG LEU 60 HG LEU 60 -27.201 34.143 18.198 1188 HD11 LEU 60 HD11 LEU 60 -27.785 31.881 17.026 1189 HD12 LEU 60 HD12 LEU 60 -26.962 31.142 18.399 1190 HD13 LEU 60 HD13 LEU 60 -26.096 32.253 17.339 1191 HD21 LEU 60 HD21 LEU 60 -29.225 32.370 19.578 1192 HD22 LEU 60 HD22 LEU 60 -29.481 33.047 17.969 1193 HD23 LEU 60 HD23 LEU 60 -29.295 34.118 19.358 1194 H LYS 61 H LYS 61 -24.724 35.446 20.722 1195 HA LYS 61 HA LYS 61 -24.750 36.741 18.163 1196 HB2 LYS 61 HB2 LYS 61 -23.990 38.741 19.529 1197 HB3 LYS 61 HB3 LYS 61 -25.527 38.020 20.003 1198 HG2 LYS 61 HG2 LYS 61 -24.518 36.881 21.859 1199 HG3 LYS 61 HG3 LYS 61 -22.894 37.274 21.296 1200 HD2 LYS 61 HD2 LYS 61 -23.618 38.740 23.170 1201 HD3 LYS 61 HD3 LYS 61 -23.286 39.650 21.697 1202 HE2 LYS 61 HE2 LYS 61 -25.575 40.000 21.254 1203 HE3 LYS 61 HE3 LYS 61 -26.079 38.693 22.327 1204 HZ1 LYS 61 HZ1 LYS 61 -24.608 41.001 23.406 1205 HZ2 LYS 61 HZ2 LYS 61 -25.686 39.951 24.194 1206 HZ3 LYS 61 HZ3 LYS 61 -26.276 41.124 23.116 1207 H LEU 62 H LEU 62 -22.207 35.599 20.336 1208 HA LEU 62 HA LEU 62 -20.046 36.969 19.169 1209 HB2 LEU 62 HB2 LEU 62 -20.115 34.235 20.466 1210 HB3 LEU 62 HB3 LEU 62 -18.642 35.115 20.070 1211 HG LEU 62 HG LEU 62 -20.824 36.165 21.890 1212 HD11 LEU 62 HD11 LEU 62 -18.112 35.040 22.636 1213 HD12 LEU 62 HD12 LEU 62 -19.621 34.136 22.758 1214 HD13 LEU 62 HD13 LEU 62 -19.377 35.579 23.741 1215 HD21 LEU 62 HD21 LEU 62 -19.715 38.078 21.182 1216 HD22 LEU 62 HD22 LEU 62 -18.182 37.242 20.940 1217 HD23 LEU 62 HD23 LEU 62 -18.725 37.644 22.566 1218 H LEU 63 H LEU 63 -21.753 34.059 18.195 1219 HA LEU 63 HA LEU 63 -19.857 33.358 16.137 1220 HB2 LEU 63 HB2 LEU 63 -22.745 32.498 16.408 1221 HB3 LEU 63 HB3 LEU 63 -21.493 31.702 15.460 1222 HG LEU 63 HG LEU 63 -21.355 32.075 18.467 1223 HD11 LEU 63 HD11 LEU 63 -23.232 30.639 18.017 1224 HD12 LEU 63 HD12 LEU 63 -21.890 29.600 18.495 1225 HD13 LEU 63 HD13 LEU 63 -22.328 29.747 16.793 1226 HD21 LEU 63 HD21 LEU 63 -19.159 31.724 17.649 1227 HD22 LEU 63 HD22 LEU 63 -19.702 30.568 16.433 1228 HD23 LEU 63 HD23 LEU 63 -19.692 30.121 18.137 1229 H LYS 64 H LYS 64 -22.462 35.573 16.454 1230 HA LYS 64 HA LYS 64 -23.201 35.771 13.710 1231 HB2 LYS 64 HB2 LYS 64 -24.473 36.624 15.782 1232 HB3 LYS 64 HB3 LYS 64 -23.389 38.012 15.726 1233 HG2 LYS 64 HG2 LYS 64 -24.097 38.458 13.393 1234 HG3 LYS 64 HG3 LYS 64 -25.200 37.084 13.474 1235 HD2 LYS 64 HD2 LYS 64 -26.476 38.140 15.247 1236 HD3 LYS 64 HD3 LYS 64 -25.305 39.453 15.363 1237 HE2 LYS 64 HE2 LYS 64 -26.873 38.835 12.845 1238 HE3 LYS 64 HE3 LYS 64 -27.387 40.022 14.044 1239 HZ1 LYS 64 HZ1 LYS 64 -26.158 41.103 12.303 1240 HZ2 LYS 64 HZ2 LYS 64 -24.843 40.050 12.514 1241 HZ3 LYS 64 HZ3 LYS 64 -25.250 41.156 13.737 1242 H SER 65 H SER 65 -20.408 36.667 15.387 1243 HA SER 65 HA SER 65 -19.739 39.013 13.863 1244 HB2 SER 65 HB2 SER 65 -18.076 37.216 15.642 1245 HB3 SER 65 HB3 SER 65 -17.491 38.712 14.917 1246 HG SER 65 HG SER 65 -19.777 39.309 16.012 1247 H VAL 66 H VAL 66 -18.677 35.610 13.824 1248 HA VAL 66 HA VAL 66 -16.882 35.989 11.632 1249 HB VAL 66 HB VAL 66 -16.993 33.419 11.572 1250 HG11 VAL 66 HG11 VAL 66 -16.285 34.844 14.156 1251 HG12 VAL 66 HG12 VAL 66 -15.228 34.650 12.758 1252 HG13 VAL 66 HG13 VAL 66 -15.721 33.239 13.693 1253 HG21 VAL 66 HG21 VAL 66 -18.467 33.820 14.183 1254 HG22 VAL 66 HG22 VAL 66 -18.145 32.306 13.336 1255 HG23 VAL 66 HG23 VAL 66 -19.306 33.457 12.676 1256 H HIS 67 H HIS 67 -19.916 36.606 11.460 1257 HA HIS 67 HA HIS 67 -21.363 36.817 9.709 1258 HB2 HIS 67 HB2 HIS 67 -19.513 35.262 7.917 1259 HB3 HIS 67 HB3 HIS 67 -20.563 36.620 7.525 1260 HD1 HIS 67 HD1 HIS 67 -19.761 38.682 9.588 1261 HD2 HIS 67 HD2 HIS 67 -16.967 36.296 7.618 1262 HE1 HIS 67 HE1 HIS 67 -17.550 39.904 9.732 1263 HE2 HIS 67 HE2 HIS 67 -15.836 38.470 8.526 1264 H LEU 68 H LEU 68 -20.862 34.123 11.315 1265 HA LEU 68 HA LEU 68 -22.610 32.400 9.641 1266 HB2 LEU 68 HB2 LEU 68 -20.814 31.810 11.996 1267 HB3 LEU 68 HB3 LEU 68 -22.078 30.698 11.488 1268 HG LEU 68 HG LEU 68 -21.076 30.693 9.187 1269 HD11 LEU 68 HD11 LEU 68 -18.617 31.460 9.164 1270 HD12 LEU 68 HD12 LEU 68 -19.014 32.380 10.613 1271 HD13 LEU 68 HD13 LEU 68 -19.843 32.723 9.095 1272 HD21 LEU 68 HD21 LEU 68 -19.260 29.866 11.473 1273 HD22 LEU 68 HD22 LEU 68 -19.169 29.248 9.824 1274 HD23 LEU 68 HD23 LEU 68 -20.590 28.911 10.815 1275 H VAL 69 H VAL 69 -24.453 31.451 10.697 1276 HA VAL 69 HA VAL 69 -26.407 31.571 11.762 1277 HB VAL 69 HB VAL 69 -26.533 31.980 14.113 1278 HG11 VAL 69 HG11 VAL 69 -24.876 30.318 14.861 1279 HG12 VAL 69 HG12 VAL 69 -23.992 30.524 13.350 1280 HG13 VAL 69 HG13 VAL 69 -25.619 29.844 13.334 1281 HG21 VAL 69 HG21 VAL 69 -23.617 32.738 14.225 1282 HG22 VAL 69 HG22 VAL 69 -24.854 32.902 15.460 1283 HG23 VAL 69 HG23 VAL 69 -24.870 33.974 14.070 1284 H LYS 70 H LYS 70 -28.137 32.873 11.918 1285 HA LYS 70 HA LYS 70 -27.875 35.740 12.151 1286 HB2 LYS 70 HB2 LYS 70 -27.948 34.400 9.536 1287 HB3 LYS 70 HB3 LYS 70 -29.257 35.559 9.687 1288 HG2 LYS 70 HG2 LYS 70 -26.415 36.305 10.381 1289 HG3 LYS 70 HG3 LYS 70 -27.016 36.398 8.728 1290 HD2 LYS 70 HD2 LYS 70 -28.872 37.865 9.527 1291 HD3 LYS 70 HD3 LYS 70 -28.165 37.833 11.142 1292 HE2 LYS 70 HE2 LYS 70 -26.196 38.963 10.410 1293 HE3 LYS 70 HE3 LYS 70 -26.597 38.712 8.712 1294 HZ1 LYS 70 HZ1 LYS 70 -27.586 40.680 8.774 1295 HZ2 LYS 70 HZ2 LYS 70 -27.414 40.796 10.460 1296 HZ3 LYS 70 HZ3 LYS 70 -28.765 40.008 9.795 1297 H ALA 71 H ALA 71 -29.747 36.673 12.792 1298 HA ALA 71 HA ALA 71 -32.081 34.897 13.209 1299 HB1 ALA 71 HB1 ALA 71 -31.497 37.575 14.486 1300 HB2 ALA 71 HB2 ALA 71 -31.009 36.032 15.187 1301 HB3 ALA 71 HB3 ALA 71 -32.720 36.400 14.968 1302 H LYS 72 H LYS 72 -34.208 35.798 12.870 1303 HA LYS 72 HA LYS 72 -34.359 38.084 10.990 1304 HB2 LYS 72 HB2 LYS 72 -35.544 35.326 10.615 1305 HB3 LYS 72 HB3 LYS 72 -36.059 36.743 9.700 1306 HG2 LYS 72 HG2 LYS 72 -33.721 37.066 8.925 1307 HG3 LYS 72 HG3 LYS 72 -33.247 35.607 9.794 1308 HD2 LYS 72 HD2 LYS 72 -34.613 34.222 8.401 1309 HD3 LYS 72 HD3 LYS 72 -35.432 35.618 7.700 1310 HE2 LYS 72 HE2 LYS 72 -33.648 34.584 6.225 1311 HE3 LYS 72 HE3 LYS 72 -33.435 36.305 6.543 1312 HZ1 LYS 72 HZ1 LYS 72 -31.969 35.601 8.441 1313 HZ2 LYS 72 HZ2 LYS 72 -31.351 35.310 6.886 1314 HZ3 LYS 72 HZ3 LYS 72 -32.007 34.032 7.793 1315 H ARG 73 H ARG 73 -36.433 39.077 10.892 1316 HA ARG 73 HA ARG 73 -37.885 38.934 13.437 1317 HB2 ARG 73 HB2 ARG 73 -37.114 41.118 12.438 1318 HB3 ARG 73 HB3 ARG 73 -38.272 40.857 11.134 1319 HG2 ARG 73 HG2 ARG 73 -40.112 40.774 12.755 1320 HG3 ARG 73 HG3 ARG 73 -38.969 40.967 14.085 1321 HD2 ARG 73 HD2 ARG 73 -39.441 42.970 11.857 1322 HD3 ARG 73 HD3 ARG 73 -40.021 43.123 13.514 1323 HE ARG 73 HE ARG 73 -37.321 42.806 13.799 1324 HH11 ARG 73 HH21 ARG 73 -39.378 44.892 11.956 1325 HH12 ARG 73 HH22 ARG 73 -38.274 46.227 11.978 1326 HH21 ARG 73 HH11 ARG 73 -35.869 44.551 13.830 1327 HH22 ARG 73 HH12 ARG 73 -36.289 46.035 13.040 1328 H GLN 74 H GLN 74 -39.603 37.647 13.586 1329 HA GLN 74 HA GLN 74 -41.501 37.456 11.331 1330 HB2 GLN 74 HB2 GLN 74 -40.605 35.045 12.918 1331 HB3 GLN 74 HB3 GLN 74 -41.636 35.077 11.488 1332 HG2 GLN 74 HG2 GLN 74 -38.719 35.901 11.568 1333 HG3 GLN 74 HG3 GLN 74 -39.333 34.384 10.918 1334 HE21 GLN 74 HE21 GLN 74 -41.716 35.516 9.651 1335 HE22 GLN 74 HE22 GLN 74 -41.182 36.451 8.339 1336 H GLY 75 H GLY 75 -43.111 38.576 12.327 1337 HA2 GLY 75 HA2 GLY 75 -44.819 39.033 13.802 1338 HA3 GLY 75 HA3 GLY 75 -44.817 37.300 14.114 1339 H GLN 76 H GLN 76 -42.673 40.064 14.856 1340 HA GLN 76 HA GLN 76 -41.588 40.661 16.790 1341 HB2 GLN 76 HB2 GLN 76 -44.174 39.583 17.933 1342 HB3 GLN 76 HB3 GLN 76 -42.990 40.509 18.856 1343 HG2 GLN 76 HG2 GLN 76 -43.207 42.347 17.151 1344 HG3 GLN 76 HG3 GLN 76 -44.522 41.437 16.410 1345 HE21 GLN 76 HE21 GLN 76 -44.707 40.768 19.672 1346 HE22 GLN 76 HE22 GLN 76 -45.799 41.980 20.140 1347 H SER 77 H SER 77 -41.763 37.623 15.859 1348 HA SER 77 HA SER 77 -40.417 36.501 18.266 1349 HB2 SER 77 HB2 SER 77 -41.781 34.895 16.107 1350 HB3 SER 77 HB3 SER 77 -41.272 34.368 17.710 1351 HG SER 77 HG SER 77 -43.609 35.002 17.236 1352 H MET 78 H MET 78 -38.312 36.253 17.994 1353 HA MET 78 HA MET 78 -37.113 36.362 15.355 1354 HB2 MET 78 HB2 MET 78 -35.901 36.061 18.112 1355 HB3 MET 78 HB3 MET 78 -34.977 36.258 16.622 1356 HG2 MET 78 HG2 MET 78 -35.179 38.446 17.581 1357 HG3 MET 78 HG3 MET 78 -36.311 38.394 16.228 1358 HE1 MET 78 HE1 MET 78 -37.722 40.541 19.333 1359 HE2 MET 78 HE2 MET 78 -37.193 40.662 17.655 1360 HE3 MET 78 HE3 MET 78 -36.037 40.224 18.912 1361 H ILE 79 H ILE 79 -36.788 34.644 14.131 1362 HA ILE 79 HA ILE 79 -36.604 31.945 15.349 1363 HB ILE 79 HB ILE 79 -37.016 32.638 12.438 1364 HG12 ILE 79 HG12 ILE 79 -38.876 33.621 13.618 1365 HG13 ILE 79 HG13 ILE 79 -39.435 32.108 12.908 1366 HG21 ILE 79 HG21 ILE 79 -37.681 30.142 14.021 1367 HG22 ILE 79 HG22 ILE 79 -36.203 30.347 13.080 1368 HG23 ILE 79 HG23 ILE 79 -37.770 30.345 12.272 1369 HD11 ILE 79 HD11 ILE 79 -38.781 32.701 15.794 1370 HD12 ILE 79 HD12 ILE 79 -38.823 31.044 15.193 1371 HD13 ILE 79 HD13 ILE 79 -40.272 32.046 15.117 1372 H TYR 80 H TYR 80 -34.707 30.940 15.365 1373 HA TYR 80 HA TYR 80 -32.451 32.064 13.811 1374 HB2 TYR 80 HB2 TYR 80 -31.903 32.128 16.090 1375 HB3 TYR 80 HB3 TYR 80 -32.677 30.585 16.417 1376 HD1 TYR 80 HD1 TYR 80 -30.201 31.510 13.739 1377 HD2 TYR 80 HD2 TYR 80 -30.976 29.214 17.290 1378 HE1 TYR 80 HE1 TYR 80 -28.052 30.323 13.444 1379 HE2 TYR 80 HE2 TYR 80 -28.808 28.050 17.007 1380 HH TYR 80 HH TYR 80 -26.563 28.594 15.843 1381 H SER 81 H SER 81 -31.277 30.805 12.452 1382 HA SER 81 HA SER 81 -31.580 27.935 12.350 1383 HB2 SER 81 HB2 SER 81 -32.671 27.722 10.284 1384 HB3 SER 81 HB3 SER 81 -33.583 29.006 11.076 1385 HG SER 81 HG SER 81 -33.068 30.160 9.415 1386 H LEU 82 H LEU 82 -30.547 27.342 9.939 1387 HA LEU 82 HA LEU 82 -27.813 27.905 10.190 1388 HB2 LEU 82 HB2 LEU 82 -29.156 27.184 7.585 1389 HB3 LEU 82 HB3 LEU 82 -27.523 26.784 8.116 1390 HG LEU 82 HG LEU 82 -30.121 25.719 9.257 1391 HD11 LEU 82 HD11 LEU 82 -27.794 24.228 8.024 1392 HD12 LEU 82 HD12 LEU 82 -29.178 24.778 7.079 1393 HD13 LEU 82 HD13 LEU 82 -29.406 23.610 8.380 1394 HD21 LEU 82 HD21 LEU 82 -28.698 25.959 11.141 1395 HD22 LEU 82 HD22 LEU 82 -27.261 25.517 10.218 1396 HD23 LEU 82 HD23 LEU 82 -28.459 24.290 10.627 1397 H ASP 83 H ASP 83 -26.992 28.577 7.595 1398 HA ASP 83 HA ASP 83 -27.810 31.426 7.340 1399 HB2 ASP 83 HB2 ASP 83 -25.062 30.179 7.110 1400 HB3 ASP 83 HB3 ASP 83 -25.444 31.832 6.631 1401 H ASP 84 H ASP 84 -26.845 28.438 5.771 1402 HA ASP 84 HA ASP 84 -28.283 29.039 3.404 1403 HB2 ASP 84 HB2 ASP 84 -26.255 30.530 3.120 1404 HB3 ASP 84 HB3 ASP 84 -25.281 29.063 3.051 1405 H ILE 85 H ILE 85 -27.495 27.396 1.587 1406 HA ILE 85 HA ILE 85 -27.785 24.798 2.708 1407 HB ILE 85 HB ILE 85 -28.639 25.346 0.481 1408 HG12 ILE 85 HG12 ILE 85 -26.382 23.352 0.182 1409 HG13 ILE 85 HG13 ILE 85 -27.850 22.997 1.093 1410 HG21 ILE 85 HG21 ILE 85 -26.805 26.935 -0.114 1411 HG22 ILE 85 HG22 ILE 85 -27.117 25.752 -1.384 1412 HG23 ILE 85 HG23 ILE 85 -25.722 25.559 -0.322 1413 HD11 ILE 85 HD11 ILE 85 -29.226 23.258 -0.849 1414 HD12 ILE 85 HD12 ILE 85 -27.861 22.261 -1.352 1415 HD13 ILE 85 HD13 ILE 85 -27.903 23.972 -1.772 1416 H HIS 86 H HIS 86 -25.072 26.797 2.183 1417 HA HIS 86 HA HIS 86 -23.095 24.818 1.679 1418 HB2 HIS 86 HB2 HIS 86 -22.793 27.537 2.980 1419 HB3 HIS 86 HB3 HIS 86 -21.490 26.564 2.296 1420 HD1 HIS 86 HD1 HIS 86 -22.939 29.448 1.340 1421 HD2 HIS 86 HD2 HIS 86 -22.900 25.743 -0.570 1422 HE1 HIS 86 HE1 HIS 86 -23.397 29.901 -1.107 1423 HE2 HIS 86 HE2 HIS 86 -23.378 27.653 -2.288 1424 H VAL 87 H VAL 87 -24.606 26.039 4.589 1425 HA VAL 87 HA VAL 87 -22.658 24.873 6.375 1426 HB VAL 87 HB VAL 87 -25.411 26.015 6.912 1427 HG11 VAL 87 HG11 VAL 87 -23.137 25.147 8.708 1428 HG12 VAL 87 HG12 VAL 87 -24.816 24.611 8.751 1429 HG13 VAL 87 HG13 VAL 87 -24.401 26.251 9.249 1430 HG21 VAL 87 HG21 VAL 87 -23.752 27.605 5.920 1431 HG22 VAL 87 HG22 VAL 87 -22.659 27.243 7.256 1432 HG23 VAL 87 HG23 VAL 87 -24.205 28.030 7.570 1433 H ALA 88 H ALA 88 -25.875 24.032 5.172 1434 HA ALA 88 HA ALA 88 -26.363 21.881 6.937 1435 HB1 ALA 88 HB1 ALA 88 -27.380 22.245 4.108 1436 HB2 ALA 88 HB2 ALA 88 -28.105 22.973 5.542 1437 HB3 ALA 88 HB3 ALA 88 -28.091 21.219 5.353 1438 H THR 89 H THR 89 -24.879 22.006 3.714 1439 HA THR 89 HA THR 89 -24.532 19.171 3.522 1440 HB THR 89 HB THR 89 -23.125 19.720 1.565 1441 HG1 THR 89 HG1 THR 89 -23.604 22.357 1.535 1442 HG21 THR 89 HG21 THR 89 -25.635 21.415 1.730 1443 HG22 THR 89 HG22 THR 89 -25.612 19.683 1.399 1444 HG23 THR 89 HG23 THR 89 -24.879 20.808 0.257 1445 H MET 90 H MET 90 -22.340 21.877 4.272 1446 HA MET 90 HA MET 90 -19.930 20.611 4.464 1447 HB2 MET 90 HB2 MET 90 -20.325 23.033 4.889 1448 HB3 MET 90 HB3 MET 90 -20.972 22.618 6.477 1449 HG2 MET 90 HG2 MET 90 -18.862 21.704 7.185 1450 HG3 MET 90 HG3 MET 90 -18.205 21.806 5.552 1451 HE1 MET 90 HE1 MET 90 -16.518 22.879 7.791 1452 HE2 MET 90 HE2 MET 90 -16.018 24.452 7.169 1453 HE3 MET 90 HE3 MET 90 -16.130 23.071 6.079 1454 H LEU 91 H LEU 91 -22.490 20.630 6.925 1455 HA LEU 91 HA LEU 91 -21.028 19.176 8.875 1456 HB2 LEU 91 HB2 LEU 91 -22.960 20.485 9.518 1457 HB3 LEU 91 HB3 LEU 91 -24.001 19.550 8.450 1458 HG LEU 91 HG LEU 91 -23.710 17.562 9.810 1459 HD11 LEU 91 HD11 LEU 91 -21.638 19.254 11.212 1460 HD12 LEU 91 HD12 LEU 91 -21.471 17.623 10.561 1461 HD13 LEU 91 HD13 LEU 91 -22.399 17.891 12.032 1462 HD21 LEU 91 HD21 LEU 91 -25.436 19.125 10.535 1463 HD22 LEU 91 HD22 LEU 91 -24.254 20.038 11.473 1464 HD23 LEU 91 HD23 LEU 91 -24.680 18.394 11.950 1465 H LYS 92 H LYS 92 -23.291 18.220 6.325 1466 HA LYS 92 HA LYS 92 -23.210 15.425 7.038 1467 HB2 LYS 92 HB2 LYS 92 -25.207 16.392 6.007 1468 HB3 LYS 92 HB3 LYS 92 -24.276 16.824 4.574 1469 HG2 LYS 92 HG2 LYS 92 -23.914 14.538 3.997 1470 HG3 LYS 92 HG3 LYS 92 -24.465 13.977 5.576 1471 HD2 LYS 92 HD2 LYS 92 -26.734 14.635 5.101 1472 HD3 LYS 92 HD3 LYS 92 -26.242 15.471 3.629 1473 HE2 LYS 92 HE2 LYS 92 -25.575 13.356 2.605 1474 HE3 LYS 92 HE3 LYS 92 -25.942 12.490 4.097 1475 HZ1 LYS 92 HZ1 LYS 92 -28.206 12.857 3.848 1476 HZ2 LYS 92 HZ2 LYS 92 -27.697 12.518 2.263 1477 HZ3 LYS 92 HZ3 LYS 92 -27.991 14.122 2.737 1478 H GLN 93 H GLN 93 -21.197 17.515 5.254 1479 HA GLN 93 HA GLN 93 -20.151 15.467 3.460 1480 HB2 GLN 93 HB2 GLN 93 -20.322 17.913 2.844 1481 HB3 GLN 93 HB3 GLN 93 -19.032 18.222 4.005 1482 HG2 GLN 93 HG2 GLN 93 -17.524 16.750 2.798 1483 HG3 GLN 93 HG3 GLN 93 -18.816 16.262 1.703 1484 HE21 GLN 93 HE21 GLN 93 -19.446 19.453 2.222 1485 HE22 GLN 93 HE22 GLN 93 -18.550 20.139 0.954 1486 H ALA 94 H ALA 94 -19.357 17.006 6.509 1487 HA ALA 94 HA ALA 94 -16.674 16.059 6.684 1488 HB1 ALA 94 HB1 ALA 94 -16.721 16.840 8.929 1489 HB2 ALA 94 HB2 ALA 94 -18.477 16.699 9.020 1490 HB3 ALA 94 HB3 ALA 94 -17.744 17.956 8.023 1491 H ILE 95 H ILE 95 -19.737 14.924 8.111 1492 HA ILE 95 HA ILE 95 -18.662 12.661 9.412 1493 HB ILE 95 HB ILE 95 -21.445 12.941 8.264 1494 HG12 ILE 95 HG12 ILE 95 -20.628 14.871 9.780 1495 HG13 ILE 95 HG13 ILE 95 -22.149 14.091 10.181 1496 HG21 ILE 95 HG21 ILE 95 -20.220 11.218 10.416 1497 HG22 ILE 95 HG22 ILE 95 -21.076 10.705 8.962 1498 HG23 ILE 95 HG23 ILE 95 -21.961 11.467 10.284 1499 HD11 ILE 95 HD11 ILE 95 -19.510 13.330 11.464 1500 HD12 ILE 95 HD12 ILE 95 -21.127 12.822 11.952 1501 HD13 ILE 95 HD13 ILE 95 -20.633 14.499 12.148 1502 H HIS 96 H HIS 96 -19.275 13.320 6.103 1503 HA HIS 96 HA HIS 96 -19.716 10.664 5.195 1504 HB2 HIS 96 HB2 HIS 96 -20.223 12.779 3.912 1505 HB3 HIS 96 HB3 HIS 96 -18.492 12.927 3.610 1506 HD1 HIS 96 HD1 HIS 96 -17.527 10.301 2.801 1507 HD2 HIS 96 HD2 HIS 96 -21.366 11.533 1.735 1508 HE1 HIS 96 HE1 HIS 96 -18.209 8.883 0.819 1509 HE2 HIS 96 HE2 HIS 96 -20.544 9.623 0.152 1510 H HIS 97 H HIS 97 -16.774 12.700 5.177 1511 HA HIS 97 HA HIS 97 -15.126 10.600 4.156 1512 HB2 HIS 97 HB2 HIS 97 -14.587 13.005 3.870 1513 HB3 HIS 97 HB3 HIS 97 -14.296 13.127 5.606 1514 HD1 HIS 97 HD1 HIS 97 -12.991 11.282 2.550 1515 HD2 HIS 97 HD2 HIS 97 -11.761 12.268 6.409 1516 HE1 HIS 97 HE1 HIS 97 -10.577 10.548 2.739 1517 HE2 HIS 97 HE2 HIS 97 -9.811 11.136 5.087 1518 H ALA 98 H ALA 98 -16.382 11.257 7.242 1519 HA ALA 98 HA ALA 98 -14.511 10.664 9.098 1520 HB1 ALA 98 HB1 ALA 98 -16.264 9.655 10.452 1521 HB2 ALA 98 HB2 ALA 98 -17.258 9.394 9.019 1522 HB3 ALA 98 HB3 ALA 98 -16.921 11.034 9.572 1523 H ASN 99 H ASN 99 -16.095 8.307 6.977 1524 HA ASN 99 HA ASN 99 -13.865 6.540 7.038 1525 HB2 ASN 99 HB2 ASN 99 -14.842 6.137 9.322 1526 HB3 ASN 99 HB3 ASN 99 -16.307 5.559 8.531 1527 HD21 ASN 99 HD21 ASN 99 -16.058 3.334 9.193 1528 HD22 ASN 99 HD22 ASN 99 -14.800 2.355 8.612 1529 H HIS 100 H HIS 100 -14.656 4.270 6.181 1530 HA HIS 100 HA HIS 100 -16.967 4.408 4.415 1531 HB2 HIS 100 HB2 HIS 100 -14.221 3.959 3.229 1532 HB3 HIS 100 HB3 HIS 100 -15.753 4.107 2.370 1533 HD1 HIS 100 HD1 HIS 100 -16.764 6.479 2.114 1534 HD2 HIS 100 HD2 HIS 100 -13.127 6.436 4.148 1535 HE1 HIS 100 HE1 HIS 100 -15.995 8.886 2.253 1536 HE2 HIS 100 HE2 HIS 100 -13.779 8.879 3.492 1537 HA PRO 101 HA PRO 101 -15.854 0.358 6.586 1538 HB2 PRO 101 HB2 PRO 101 -18.846 0.348 6.190 1539 HB3 PRO 101 HB3 PRO 101 -17.895 -0.300 7.540 1540 HG2 PRO 101 HG2 PRO 101 -19.122 2.032 7.780 1541 HG3 PRO 101 HG3 PRO 101 -17.486 1.816 8.423 1542 HD2 PRO 101 HD2 PRO 101 -18.367 3.292 5.964 1543 HD3 PRO 101 HD3 PRO 101 -17.005 3.636 7.051 1544 H LYS 102 H LYS 102 -14.925 -0.930 5.092 1545 HA LYS 102 HA LYS 102 -16.102 -1.396 2.492 1546 HB2 LYS 102 HB2 LYS 102 -13.621 -1.306 2.925 1547 HB3 LYS 102 HB3 LYS 102 -13.776 -2.839 3.784 1548 HG2 LYS 102 HG2 LYS 102 -14.697 -3.893 1.758 1549 HG3 LYS 102 HG3 LYS 102 -14.573 -2.359 0.895 1550 HD2 LYS 102 HD2 LYS 102 -12.090 -2.387 1.421 1551 HD3 LYS 102 HD3 LYS 102 -12.307 -4.040 1.996 1552 HE2 LYS 102 HE2 LYS 102 -11.588 -4.096 -0.334 1553 HE3 LYS 102 HE3 LYS 102 -13.261 -4.643 -0.235 1554 HZ1 LYS 102 HZ1 LYS 102 -12.960 -3.061 -2.031 1555 HZ2 LYS 102 HZ2 LYS 102 -12.374 -1.899 -0.942 1556 HZ3 LYS 102 HZ3 LYS 102 -13.987 -2.420 -0.840 1557 H GLU 103 H GLU 103 -17.809 -2.696 2.299 1558 HA GLU 103 HA GLU 103 -19.212 -4.498 2.526 1559 HB2 GLU 103 HB2 GLU 103 -17.057 -5.690 1.905 1560 HB3 GLU 103 HB3 GLU 103 -16.817 -5.976 3.629 1561 HG2 GLU 103 HG2 GLU 103 -17.920 -7.922 2.751 1562 HG3 GLU 103 HG3 GLU 103 -19.124 -7.023 3.673 Start of MODEL 11 1 H ASN 9 H ASN 9 -22.030 7.077 17.975 2 HA ASN 9 HA ASN 9 -22.975 8.864 18.856 3 HB2 ASN 9 HB2 ASN 9 -22.748 7.402 21.497 4 HB3 ASN 9 HB3 ASN 9 -23.992 8.552 21.012 5 HD21 ASN 9 HD21 ASN 9 -24.991 7.750 18.675 6 HD22 ASN 9 HD22 ASN 9 -25.478 6.125 18.689 7 H THR 10 H THR 10 -20.995 7.950 21.673 8 HA THR 10 HA THR 10 -20.104 10.692 22.006 9 HB THR 10 HB THR 10 -18.906 9.756 23.984 10 HG1 THR 10 HG1 THR 10 -20.201 7.345 23.273 11 HG21 THR 10 HG21 THR 10 -20.981 9.093 25.207 12 HG22 THR 10 HG22 THR 10 -21.826 9.000 23.661 13 HG23 THR 10 HG23 THR 10 -21.202 10.547 24.234 14 H ASP 11 H ASP 11 -18.825 7.649 20.822 15 HA ASP 11 HA ASP 11 -16.080 8.447 20.797 16 HB2 ASP 11 HB2 ASP 11 -17.423 6.322 19.113 17 HB3 ASP 11 HB3 ASP 11 -15.707 6.443 19.496 18 H THR 12 H THR 12 -18.622 8.312 18.309 19 HA THR 12 HA THR 12 -17.028 9.219 16.163 20 HB THR 12 HB THR 12 -19.993 9.705 16.498 21 HG1 THR 12 HG1 THR 12 -19.691 7.567 15.133 22 HG21 THR 12 HG21 THR 12 -18.859 10.790 14.573 23 HG22 THR 12 HG22 THR 12 -19.986 9.537 14.050 24 HG23 THR 12 HG23 THR 12 -18.252 9.215 14.062 25 H LEU 13 H LEU 13 -19.463 11.042 18.038 26 HA LEU 13 HA LEU 13 -19.009 13.557 17.052 27 HB2 LEU 13 HB2 LEU 13 -20.794 13.084 18.633 28 HB3 LEU 13 HB3 LEU 13 -19.625 12.740 19.903 29 HG LEU 13 HG LEU 13 -18.876 15.058 19.908 30 HD11 LEU 13 HD11 LEU 13 -20.316 16.687 18.459 31 HD12 LEU 13 HD12 LEU 13 -20.672 15.258 17.490 32 HD13 LEU 13 HD13 LEU 13 -19.007 15.806 17.679 33 HD21 LEU 13 HD21 LEU 13 -20.853 14.460 21.257 34 HD22 LEU 13 HD22 LEU 13 -21.902 14.850 19.893 35 HD23 LEU 13 HD23 LEU 13 -20.962 16.121 20.676 36 H GLU 14 H GLU 14 -16.941 11.660 19.065 37 HA GLU 14 HA GLU 14 -15.275 13.898 19.905 38 HB2 GLU 14 HB2 GLU 14 -15.673 11.781 21.269 39 HB3 GLU 14 HB3 GLU 14 -14.622 10.957 20.119 40 HG2 GLU 14 HG2 GLU 14 -13.210 11.651 21.920 41 HG3 GLU 14 HG3 GLU 14 -12.895 12.771 20.596 42 H ARG 15 H ARG 15 -14.902 11.033 17.815 43 HA ARG 15 HA ARG 15 -12.342 11.436 16.890 44 HB2 ARG 15 HB2 ARG 15 -13.784 9.476 16.359 45 HB3 ARG 15 HB3 ARG 15 -14.683 10.482 15.225 46 HG2 ARG 15 HG2 ARG 15 -12.765 10.785 13.829 47 HG3 ARG 15 HG3 ARG 15 -11.684 10.122 15.054 48 HD2 ARG 15 HD2 ARG 15 -12.577 7.918 14.779 49 HD3 ARG 15 HD3 ARG 15 -13.926 8.513 13.814 50 HE ARG 15 HE ARG 15 -11.414 9.143 12.596 51 HH11 ARG 15 HH21 ARG 15 -13.713 6.622 13.181 52 HH12 ARG 15 HH22 ARG 15 -13.292 5.720 11.763 53 HH21 ARG 15 HH11 ARG 15 -10.859 7.967 10.734 54 HH22 ARG 15 HH12 ARG 15 -11.679 6.483 10.377 55 H VAL 16 H VAL 16 -15.317 12.622 15.305 56 HA VAL 16 HA VAL 16 -14.281 13.977 13.189 57 HB VAL 16 HB VAL 16 -16.196 15.566 13.428 58 HG11 VAL 16 HG11 VAL 16 -16.468 13.330 12.392 59 HG12 VAL 16 HG12 VAL 16 -17.929 13.830 13.243 60 HG13 VAL 16 HG13 VAL 16 -16.841 12.651 13.976 61 HG21 VAL 16 HG21 VAL 16 -16.493 14.102 16.065 62 HG22 VAL 16 HG22 VAL 16 -17.772 15.075 15.339 63 HG23 VAL 16 HG23 VAL 16 -16.259 15.835 15.830 64 H THR 17 H THR 17 -14.376 15.133 16.542 65 HA THR 17 HA THR 17 -13.545 17.760 16.126 66 HB THR 17 HB THR 17 -12.734 16.001 18.450 67 HG1 THR 17 HG1 THR 17 -14.742 17.205 19.246 68 HG21 THR 17 HG21 THR 17 -12.881 18.216 19.651 69 HG22 THR 17 HG22 THR 17 -13.073 18.988 18.078 70 HG23 THR 17 HG23 THR 17 -11.584 18.124 18.461 71 H GLU 18 H GLU 18 -11.611 14.811 16.498 72 HA GLU 18 HA GLU 18 -9.080 16.076 16.497 73 HB2 GLU 18 HB2 GLU 18 -9.613 13.691 17.192 74 HB3 GLU 18 HB3 GLU 18 -9.666 13.294 15.475 75 HG2 GLU 18 HG2 GLU 18 -7.360 14.086 15.199 76 HG3 GLU 18 HG3 GLU 18 -7.303 14.556 16.896 77 H ILE 19 H ILE 19 -11.339 15.482 13.991 78 HA ILE 19 HA ILE 19 -9.383 15.520 11.831 79 HB ILE 19 HB ILE 19 -12.386 15.753 11.609 80 HG12 ILE 19 HG12 ILE 19 -10.637 13.281 11.803 81 HG13 ILE 19 HG13 ILE 19 -11.872 13.780 12.958 82 HG21 ILE 19 HG21 ILE 19 -10.352 14.542 9.720 83 HG22 ILE 19 HG22 ILE 19 -10.869 16.226 9.619 84 HG23 ILE 19 HG23 ILE 19 -12.039 14.929 9.381 85 HD11 ILE 19 HD11 ILE 19 -12.930 12.139 11.600 86 HD12 ILE 19 HD12 ILE 19 -12.254 12.818 10.118 87 HD13 ILE 19 HD13 ILE 19 -13.521 13.684 10.988 88 H PHE 20 H PHE 20 -11.599 17.737 13.425 89 HA PHE 20 HA PHE 20 -11.332 19.791 11.421 90 HB2 PHE 20 HB2 PHE 20 -12.555 19.699 14.179 91 HB3 PHE 20 HB3 PHE 20 -12.476 21.191 13.247 92 HD1 PHE 20 HD2 PHE 20 -13.248 20.928 10.697 93 HD2 PHE 20 HD1 PHE 20 -14.497 18.398 13.938 94 HE1 PHE 20 HE2 PHE 20 -15.264 20.274 9.412 95 HE2 PHE 20 HE1 PHE 20 -16.520 17.758 12.656 96 HZ PHE 20 HZ PHE 20 -16.901 18.690 10.390 97 H LYS 21 H LYS 21 -9.368 18.731 13.988 98 HA LYS 21 HA LYS 21 -8.142 21.359 14.454 99 HB2 LYS 21 HB2 LYS 21 -7.729 18.623 15.668 100 HB3 LYS 21 HB3 LYS 21 -6.712 20.014 16.048 101 HG2 LYS 21 HG2 LYS 21 -8.679 21.270 16.811 102 HG3 LYS 21 HG3 LYS 21 -9.727 19.918 16.382 103 HD2 LYS 21 HD2 LYS 21 -8.779 18.521 18.067 104 HD3 LYS 21 HD3 LYS 21 -7.428 19.626 18.325 105 HE2 LYS 21 HE2 LYS 21 -9.282 19.724 20.075 106 HE3 LYS 21 HE3 LYS 21 -8.849 21.267 19.338 107 HZ1 LYS 21 HZ1 LYS 21 -10.871 21.471 18.490 108 HZ2 LYS 21 HZ2 LYS 21 -11.347 20.137 19.427 109 HZ3 LYS 21 HZ3 LYS 21 -10.837 19.912 17.822 110 H ALA 22 H ALA 22 -7.555 18.314 12.813 111 HA ALA 22 HA ALA 22 -4.775 18.599 12.399 112 HB1 ALA 22 HB1 ALA 22 -5.922 16.468 12.059 113 HB2 ALA 22 HB2 ALA 22 -5.106 16.956 10.575 114 HB3 ALA 22 HB3 ALA 22 -6.851 17.158 10.729 115 H LEU 23 H LEU 23 -7.323 20.442 11.224 116 HA LEU 23 HA LEU 23 -6.226 21.029 8.613 117 HB2 LEU 23 HB2 LEU 23 -8.298 22.655 10.086 118 HB3 LEU 23 HB3 LEU 23 -8.076 22.481 8.344 119 HG LEU 23 HG LEU 23 -8.978 20.313 10.264 120 HD11 LEU 23 HD11 LEU 23 -10.729 21.942 9.764 121 HD12 LEU 23 HD12 LEU 23 -11.068 20.438 8.908 122 HD13 LEU 23 HD13 LEU 23 -10.390 21.813 8.038 123 HD21 LEU 23 HD21 LEU 23 -8.280 20.285 7.322 124 HD22 LEU 23 HD22 LEU 23 -9.363 19.085 8.027 125 HD23 LEU 23 HD23 LEU 23 -7.699 19.209 8.594 126 H GLY 24 H GLY 24 -5.534 22.012 11.776 127 HA2 GLY 24 HA2 GLY 24 -4.952 24.729 11.536 128 HA3 GLY 24 HA3 GLY 24 -4.119 23.620 12.620 129 H ASP 25 H ASP 25 -2.244 25.004 12.131 130 HA ASP 25 HA ASP 25 -0.232 25.394 11.104 131 HB2 ASP 25 HB2 ASP 25 -0.815 22.776 9.700 132 HB3 ASP 25 HB3 ASP 25 0.762 23.541 9.883 133 H TYR 26 H TYR 26 -0.816 27.221 9.939 134 HA TYR 26 HA TYR 26 -2.252 27.376 7.577 135 HB2 TYR 26 HB2 TYR 26 -0.967 29.465 7.147 136 HB3 TYR 26 HB3 TYR 26 -1.583 29.363 8.797 137 HD1 TYR 26 HD1 TYR 26 -0.073 28.866 10.681 138 HD2 TYR 26 HD2 TYR 26 1.407 29.298 6.671 139 HE1 TYR 26 HE1 TYR 26 2.238 29.083 11.557 140 HE2 TYR 26 HE2 TYR 26 3.717 29.520 7.548 141 HH TYR 26 HH TYR 26 4.596 28.676 10.644 142 H ASN 27 H ASN 27 1.178 26.652 8.051 143 HA ASN 27 HA ASN 27 2.016 26.779 5.386 144 HB2 ASN 27 HB2 ASN 27 3.854 25.275 6.101 145 HB3 ASN 27 HB3 ASN 27 3.603 26.611 7.223 146 HD21 ASN 27 HD21 ASN 27 2.775 26.111 9.352 147 HD22 ASN 27 HD22 ASN 27 2.641 24.513 9.909 148 H ARG 28 H ARG 28 0.441 24.175 7.173 149 HA ARG 28 HA ARG 28 0.833 22.142 5.233 150 HB2 ARG 28 HB2 ARG 28 0.204 21.736 7.594 151 HB3 ARG 28 HB3 ARG 28 -1.382 22.419 7.277 152 HG2 ARG 28 HG2 ARG 28 -0.518 20.225 5.424 153 HG3 ARG 28 HG3 ARG 28 -0.828 19.742 7.081 154 HD2 ARG 28 HD2 ARG 28 -3.085 20.324 6.978 155 HD3 ARG 28 HD3 ARG 28 -2.845 21.451 5.650 156 HE ARG 28 HE ARG 28 -2.180 18.874 4.740 157 HH11 ARG 28 HH21 ARG 28 -4.884 20.741 5.829 158 HH12 ARG 28 HH22 ARG 28 -6.047 19.851 4.905 159 HH21 ARG 28 HH11 ARG 28 -3.700 17.707 3.521 160 HH22 ARG 28 HH12 ARG 28 -5.377 18.133 3.598 161 H ILE 29 H ILE 29 -1.521 24.706 5.594 162 HA ILE 29 HA ILE 29 -3.494 23.708 3.837 163 HB ILE 29 HB ILE 29 -2.779 26.603 4.347 164 HG12 ILE 29 HG12 ILE 29 -3.079 25.490 6.476 165 HG13 ILE 29 HG13 ILE 29 -4.510 26.459 6.143 166 HG21 ILE 29 HG21 ILE 29 -5.239 26.906 3.914 167 HG22 ILE 29 HG22 ILE 29 -5.300 25.219 3.405 168 HG23 ILE 29 HG23 ILE 29 -4.319 26.376 2.506 169 HD11 ILE 29 HD11 ILE 29 -4.183 23.470 6.064 170 HD12 ILE 29 HD12 ILE 29 -5.459 24.238 5.120 171 HD13 ILE 29 HD13 ILE 29 -5.421 24.429 6.871 172 H ARG 30 H ARG 30 -0.460 25.415 3.242 173 HA ARG 30 HA ARG 30 -0.981 26.157 0.571 174 HB2 ARG 30 HB2 ARG 30 1.669 25.484 1.874 175 HB3 ARG 30 HB3 ARG 30 1.448 26.395 0.380 176 HG2 ARG 30 HG2 ARG 30 0.061 28.046 1.697 177 HG3 ARG 30 HG3 ARG 30 0.547 27.192 3.162 178 HD2 ARG 30 HD2 ARG 30 2.378 28.562 1.172 179 HD3 ARG 30 HD3 ARG 30 2.044 29.078 2.823 180 HE ARG 30 HE ARG 30 3.097 26.410 2.724 181 HH11 ARG 30 HH21 ARG 30 3.870 29.779 2.567 182 HH12 ARG 30 HH22 ARG 30 5.481 29.581 3.172 183 HH21 ARG 30 HH11 ARG 30 5.212 26.141 3.516 184 HH22 ARG 30 HH12 ARG 30 6.242 27.521 3.704 185 H ILE 31 H ILE 31 0.131 23.153 2.028 186 HA ILE 31 HA ILE 31 0.810 21.941 -0.520 187 HB ILE 31 HB ILE 31 0.614 20.885 2.303 188 HG12 ILE 31 HG12 ILE 31 3.048 20.609 2.006 189 HG13 ILE 31 HG13 ILE 31 2.921 21.243 0.368 190 HG21 ILE 31 HG21 ILE 31 -0.028 19.019 0.948 191 HG22 ILE 31 HG22 ILE 31 1.689 18.804 1.289 192 HG23 ILE 31 HG23 ILE 31 1.172 19.414 -0.282 193 HD11 ILE 31 HD11 ILE 31 1.886 22.876 2.675 194 HD12 ILE 31 HD12 ILE 31 2.471 23.414 1.100 195 HD13 ILE 31 HD13 ILE 31 3.611 22.851 2.319 196 H MET 32 H MET 32 -2.002 22.389 1.414 197 HA MET 32 HA MET 32 -3.498 20.135 0.493 198 HB2 MET 32 HB2 MET 32 -4.026 21.435 2.562 199 HB3 MET 32 HB3 MET 32 -4.533 22.780 1.541 200 HG2 MET 32 HG2 MET 32 -6.314 21.490 0.580 201 HG3 MET 32 HG3 MET 32 -5.701 19.998 1.293 202 HE1 MET 32 HE1 MET 32 -8.702 20.559 1.710 203 HE2 MET 32 HE2 MET 32 -8.790 20.123 3.415 204 HE3 MET 32 HE3 MET 32 -7.718 19.234 2.333 205 H GLU 33 H GLU 33 -3.169 23.487 -0.562 206 HA GLU 33 HA GLU 33 -5.167 23.274 -2.625 207 HB2 GLU 33 HB2 GLU 33 -4.201 25.461 -3.391 208 HB3 GLU 33 HB3 GLU 33 -4.716 25.457 -1.704 209 HG2 GLU 33 HG2 GLU 33 -2.430 25.121 -0.955 210 HG3 GLU 33 HG3 GLU 33 -1.871 24.944 -2.617 211 H LEU 34 H LEU 34 -1.780 22.590 -2.341 212 HA LEU 34 HA LEU 34 -1.167 22.669 -5.130 213 HB2 LEU 34 HB2 LEU 34 0.635 22.884 -3.557 214 HB3 LEU 34 HB3 LEU 34 0.199 21.375 -2.761 215 HG LEU 34 HG LEU 34 0.882 20.079 -4.672 216 HD11 LEU 34 HD11 LEU 34 1.896 21.367 -6.670 217 HD12 LEU 34 HD12 LEU 34 1.035 22.769 -6.037 218 HD13 LEU 34 HD13 LEU 34 0.139 21.335 -6.540 219 HD21 LEU 34 HD21 LEU 34 2.665 20.935 -3.139 220 HD22 LEU 34 HD22 LEU 34 2.924 22.280 -4.250 221 HD23 LEU 34 HD23 LEU 34 3.249 20.629 -4.775 222 H LEU 35 H LEU 35 -1.501 19.905 -2.885 223 HA LEU 35 HA LEU 35 -1.466 17.878 -4.790 224 HB2 LEU 35 HB2 LEU 35 -3.057 17.927 -2.217 225 HB3 LEU 35 HB3 LEU 35 -2.575 16.487 -3.108 226 HG LEU 35 HG LEU 35 -0.553 18.496 -2.091 227 HD11 LEU 35 HD11 LEU 35 -1.752 16.106 -0.674 228 HD12 LEU 35 HD12 LEU 35 -1.708 17.778 -0.118 229 HD13 LEU 35 HD13 LEU 35 -0.219 16.838 -0.198 230 HD21 LEU 35 HD21 LEU 35 0.410 17.026 -3.704 231 HD22 LEU 35 HD22 LEU 35 -0.421 15.622 -3.037 232 HD23 LEU 35 HD23 LEU 35 0.886 16.384 -2.137 233 H SER 36 H SER 36 -3.918 20.202 -4.140 234 HA SER 36 HA SER 36 -6.170 18.729 -5.075 235 HB2 SER 36 HB2 SER 36 -5.773 21.727 -5.165 236 HB3 SER 36 HB3 SER 36 -7.303 20.853 -5.153 237 HG SER 36 HG SER 36 -6.205 21.759 -3.086 238 H VAL 37 H VAL 37 -4.049 21.130 -6.642 239 HA VAL 37 HA VAL 37 -5.267 20.976 -9.189 240 HB VAL 37 HB VAL 37 -2.442 21.759 -8.426 241 HG11 VAL 37 HG11 VAL 37 -2.459 21.285 -10.772 242 HG12 VAL 37 HG12 VAL 37 -2.618 23.035 -10.628 243 HG13 VAL 37 HG13 VAL 37 -4.035 22.047 -10.982 244 HG21 VAL 37 HG21 VAL 37 -4.811 23.528 -9.071 245 HG22 VAL 37 HG22 VAL 37 -3.267 24.006 -8.366 246 HG23 VAL 37 HG23 VAL 37 -4.409 23.047 -7.424 247 H SER 38 H SER 38 -2.554 19.234 -7.735 248 HA SER 38 HA SER 38 -2.922 16.950 -9.379 249 HB2 SER 38 HB2 SER 38 -0.729 18.874 -10.157 250 HB3 SER 38 HB3 SER 38 -0.654 17.158 -10.554 251 HG SER 38 HG SER 38 -2.239 17.384 -11.943 252 H GLU 39 H GLU 39 -1.626 15.214 -8.745 253 HA GLU 39 HA GLU 39 -0.690 15.182 -6.103 254 HB2 GLU 39 HB2 GLU 39 0.491 13.045 -6.844 255 HB3 GLU 39 HB3 GLU 39 -1.252 13.098 -7.113 256 HG2 GLU 39 HG2 GLU 39 -0.929 13.684 -9.445 257 HG3 GLU 39 HG3 GLU 39 0.811 13.835 -9.207 258 H ALA 40 H ALA 40 1.596 14.674 -5.438 259 HA ALA 40 HA ALA 40 3.715 15.725 -7.127 260 HB1 ALA 40 HB1 ALA 40 2.798 17.799 -6.241 261 HB2 ALA 40 HB2 ALA 40 4.357 17.478 -5.484 262 HB3 ALA 40 HB3 ALA 40 2.866 17.161 -4.599 263 H SER 41 H SER 41 5.791 15.270 -6.345 264 HA SER 41 HA SER 41 5.911 13.156 -4.299 265 HB2 SER 41 HB2 SER 41 7.909 14.154 -6.341 266 HB3 SER 41 HB3 SER 41 8.266 12.917 -5.137 267 HG SER 41 HG SER 41 6.276 12.836 -7.154 268 H VAL 42 H VAL 42 7.549 13.275 -2.628 269 HA VAL 42 HA VAL 42 7.496 15.518 -1.060 270 HB VAL 42 HB VAL 42 9.776 13.540 -1.284 271 HG11 VAL 42 HG11 VAL 42 10.080 14.161 1.143 272 HG12 VAL 42 HG12 VAL 42 8.925 15.470 0.894 273 HG13 VAL 42 HG13 VAL 42 10.454 15.466 0.016 274 HG21 VAL 42 HG21 VAL 42 7.661 12.398 -0.920 275 HG22 VAL 42 HG22 VAL 42 7.216 13.545 0.342 276 HG23 VAL 42 HG23 VAL 42 8.552 12.423 0.602 277 H GLY 43 H GLY 43 10.081 14.649 -3.357 278 HA2 GLY 43 HA2 GLY 43 11.763 16.808 -2.886 279 HA3 GLY 43 HA3 GLY 43 11.687 15.917 -4.399 280 H HIS 44 H HIS 44 8.802 16.699 -4.752 281 HA HIS 44 HA HIS 44 9.310 19.014 -6.322 282 HB2 HIS 44 HB2 HIS 44 6.688 17.721 -5.542 283 HB3 HIS 44 HB3 HIS 44 6.873 18.973 -6.768 284 HD1 HIS 44 HD1 HIS 44 9.839 17.291 -7.270 285 HD2 HIS 44 HD2 HIS 44 5.890 16.184 -8.020 286 HE1 HIS 44 HE1 HIS 44 9.929 15.448 -9.002 287 HE2 HIS 44 HE2 HIS 44 7.530 14.767 -9.479 288 H ILE 45 H ILE 45 8.052 18.550 -3.082 289 HA ILE 45 HA ILE 45 6.811 21.085 -2.824 290 HB ILE 45 HB ILE 45 7.910 19.158 -0.772 291 HG12 ILE 45 HG12 ILE 45 5.463 18.851 -0.331 292 HG13 ILE 45 HG13 ILE 45 5.119 19.924 -1.684 293 HG21 ILE 45 HG21 ILE 45 6.511 20.552 0.842 294 HG22 ILE 45 HG22 ILE 45 6.477 21.799 -0.405 295 HG23 ILE 45 HG23 ILE 45 8.015 21.298 0.302 296 HD11 ILE 45 HD11 ILE 45 6.887 17.524 -2.105 297 HD12 ILE 45 HD12 ILE 45 5.877 18.384 -3.270 298 HD13 ILE 45 HD13 ILE 45 5.135 17.331 -2.068 299 H SER 46 H SER 46 10.142 20.007 -2.466 300 HA SER 46 HA SER 46 11.281 21.995 -0.985 301 HB2 SER 46 HB2 SER 46 13.335 21.631 -2.267 302 HB3 SER 46 HB3 SER 46 12.527 20.097 -1.953 303 HG SER 46 HG SER 46 12.799 19.933 -4.050 304 H HIS 47 H HIS 47 10.257 22.198 -4.365 305 HA HIS 47 HA HIS 47 11.434 24.664 -5.002 306 HB2 HIS 47 HB2 HIS 47 8.845 23.470 -6.024 307 HB3 HIS 47 HB3 HIS 47 9.727 24.798 -6.781 308 HD1 HIS 47 HD1 HIS 47 9.288 21.384 -7.300 309 HD2 HIS 47 HD2 HIS 47 12.718 23.737 -6.991 310 HE1 HIS 47 HE1 HIS 47 11.148 20.088 -8.425 311 HE2 HIS 47 HE2 HIS 47 13.245 21.509 -8.250 312 H GLN 48 H GLN 48 8.767 23.905 -2.980 313 HA GLN 48 HA GLN 48 7.737 26.670 -2.975 314 HB2 GLN 48 HB2 GLN 48 6.735 24.085 -1.779 315 HB3 GLN 48 HB3 GLN 48 6.035 25.653 -1.381 316 HG2 GLN 48 HG2 GLN 48 4.814 24.522 -3.229 317 HG3 GLN 48 HG3 GLN 48 5.516 26.059 -3.732 318 HE21 GLN 48 HE21 GLN 48 5.925 22.523 -3.965 319 HE22 GLN 48 HE22 GLN 48 6.951 22.570 -5.316 320 H LEU 49 H LEU 49 8.724 24.201 -0.589 321 HA LEU 49 HA LEU 49 9.221 26.268 1.416 322 HB2 LEU 49 HB2 LEU 49 9.749 23.314 1.714 323 HB3 LEU 49 HB3 LEU 49 9.387 24.499 2.969 324 HG LEU 49 HG LEU 49 7.486 23.526 0.816 325 HD11 LEU 49 HD11 LEU 49 7.605 23.131 3.819 326 HD12 LEU 49 HD12 LEU 49 7.774 21.886 2.580 327 HD13 LEU 49 HD13 LEU 49 6.220 22.685 2.820 328 HD21 LEU 49 HD21 LEU 49 6.933 25.806 1.199 329 HD22 LEU 49 HD22 LEU 49 7.258 25.677 2.928 330 HD23 LEU 49 HD23 LEU 49 5.834 24.899 2.237 331 H ASN 50 H ASN 50 11.040 23.744 -0.307 332 HA ASN 50 HA ASN 50 13.268 23.537 -0.798 333 HB2 ASN 50 HB2 ASN 50 12.852 25.972 -1.524 334 HB3 ASN 50 HB3 ASN 50 13.623 26.428 -0.007 335 HD21 ASN 50 HD21 ASN 50 15.873 26.592 -0.074 336 HD22 ASN 50 HD22 ASN 50 16.855 25.903 -1.275 337 H LEU 51 H LEU 51 12.166 23.291 1.991 338 HA LEU 51 HA LEU 51 14.573 23.827 3.623 339 HB2 LEU 51 HB2 LEU 51 11.892 22.788 4.550 340 HB3 LEU 51 HB3 LEU 51 13.183 23.475 5.532 341 HG LEU 51 HG LEU 51 11.639 24.989 3.404 342 HD11 LEU 51 HD11 LEU 51 10.521 26.100 5.265 343 HD12 LEU 51 HD12 LEU 51 11.464 25.166 6.426 344 HD13 LEU 51 HD13 LEU 51 10.278 24.358 5.402 345 HD21 LEU 51 HD21 LEU 51 12.731 26.949 4.694 346 HD22 LEU 51 HD22 LEU 51 13.763 26.018 3.612 347 HD23 LEU 51 HD23 LEU 51 13.825 25.733 5.352 348 H SER 52 H SER 52 13.895 21.754 5.519 349 HA SER 52 HA SER 52 15.359 19.591 4.334 350 HB2 SER 52 HB2 SER 52 13.909 19.696 6.991 351 HB3 SER 52 HB3 SER 52 15.137 18.524 6.516 352 HG SER 52 HG SER 52 15.888 20.361 7.784 353 H GLN 53 H GLN 53 14.627 17.747 3.450 354 HA GLN 53 HA GLN 53 11.909 17.488 2.696 355 HB2 GLN 53 HB2 GLN 53 12.598 15.223 1.907 356 HB3 GLN 53 HB3 GLN 53 13.665 16.508 1.338 357 HG2 GLN 53 HG2 GLN 53 15.204 16.011 3.241 358 HG3 GLN 53 HG3 GLN 53 14.167 14.658 3.688 359 HE21 GLN 53 HE21 GLN 53 17.021 14.624 2.679 360 HE22 GLN 53 HE22 GLN 53 16.986 13.624 1.308 361 H SER 54 H SER 54 13.818 16.104 5.316 362 HA SER 54 HA SER 54 12.047 14.114 6.172 363 HB2 SER 54 HB2 SER 54 14.383 14.448 7.011 364 HB3 SER 54 HB3 SER 54 13.804 15.831 7.942 365 HG SER 54 HG SER 54 13.855 13.777 9.082 366 H ASN 55 H ASN 55 11.835 17.551 6.388 367 HA ASN 55 HA ASN 55 10.051 17.734 8.602 368 HB2 ASN 55 HB2 ASN 55 11.403 19.627 7.578 369 HB3 ASN 55 HB3 ASN 55 10.217 19.656 6.276 370 HD21 ASN 55 HD21 ASN 55 10.870 20.769 9.471 371 HD22 ASN 55 HD22 ASN 55 9.330 21.406 9.795 372 H VAL 56 H VAL 56 9.586 17.464 5.098 373 HA VAL 56 HA VAL 56 6.754 17.715 5.152 374 HB VAL 56 HB VAL 56 8.524 16.344 3.110 375 HG11 VAL 56 HG11 VAL 56 5.651 17.299 3.072 376 HG12 VAL 56 HG12 VAL 56 6.246 15.666 2.770 377 HG13 VAL 56 HG13 VAL 56 6.563 16.951 1.604 378 HG21 VAL 56 HG21 VAL 56 8.145 18.577 1.915 379 HG22 VAL 56 HG22 VAL 56 9.235 18.617 3.302 380 HG23 VAL 56 HG23 VAL 56 7.576 19.194 3.465 381 H SER 57 H SER 57 8.955 14.939 5.271 382 HA SER 57 HA SER 57 7.024 12.904 5.080 383 HB2 SER 57 HB2 SER 57 9.559 12.762 6.721 384 HB3 SER 57 HB3 SER 57 8.706 11.433 5.938 385 HG SER 57 HG SER 57 9.268 13.354 4.152 386 H HIS 58 H HIS 58 8.592 14.208 8.006 387 HA HIS 58 HA HIS 58 7.063 12.864 9.903 388 HB2 HIS 58 HB2 HIS 58 8.366 15.591 9.996 389 HB3 HIS 58 HB3 HIS 58 7.622 14.830 11.401 390 HD1 HIS 58 HD1 HIS 58 10.360 15.081 12.076 391 HD2 HIS 58 HD2 HIS 58 9.240 12.046 9.445 392 HE1 HIS 58 HE1 HIS 58 12.229 13.374 12.116 393 HE2 HIS 58 HE2 HIS 58 11.561 11.514 10.522 394 H GLN 59 H GLN 59 6.417 15.934 8.254 395 HA GLN 59 HA GLN 59 4.058 16.563 9.707 396 HB2 GLN 59 HB2 GLN 59 5.484 18.132 8.277 397 HB3 GLN 59 HB3 GLN 59 4.677 17.428 6.878 398 HG2 GLN 59 HG2 GLN 59 3.178 18.663 9.205 399 HG3 GLN 59 HG3 GLN 59 3.631 19.561 7.762 400 HE21 GLN 59 HE21 GLN 59 0.963 18.250 8.995 401 HE22 GLN 59 HE22 GLN 59 0.229 17.621 7.600 402 H LEU 60 H LEU 60 4.510 15.232 6.418 403 HA LEU 60 HA LEU 60 1.817 14.764 5.849 404 HB2 LEU 60 HB2 LEU 60 3.717 14.655 4.217 405 HB3 LEU 60 HB3 LEU 60 4.193 13.123 4.938 406 HG LEU 60 HG LEU 60 1.889 12.238 4.397 407 HD11 LEU 60 HD11 LEU 60 0.832 13.579 2.407 408 HD12 LEU 60 HD12 LEU 60 1.705 14.950 3.086 409 HD13 LEU 60 HD13 LEU 60 0.501 14.097 4.053 410 HD21 LEU 60 HD21 LEU 60 3.625 13.198 2.104 411 HD22 LEU 60 HD22 LEU 60 2.434 11.901 2.006 412 HD23 LEU 60 HD23 LEU 60 3.857 11.716 3.031 413 H LYS 61 H LYS 61 4.115 12.953 7.766 414 HA LYS 61 HA LYS 61 2.787 10.476 7.884 415 HB2 LYS 61 HB2 LYS 61 5.108 10.960 8.729 416 HB3 LYS 61 HB3 LYS 61 4.374 11.773 10.110 417 HG2 LYS 61 HG2 LYS 61 3.303 9.744 10.838 418 HG3 LYS 61 HG3 LYS 61 3.740 8.911 9.346 419 HD2 LYS 61 HD2 LYS 61 6.135 9.146 9.925 420 HD3 LYS 61 HD3 LYS 61 5.685 9.947 11.432 421 HE2 LYS 61 HE2 LYS 61 4.476 7.936 12.157 422 HE3 LYS 61 HE3 LYS 61 4.872 7.134 10.638 423 HZ1 LYS 61 HZ1 LYS 61 6.347 6.950 12.857 424 HZ2 LYS 61 HZ2 LYS 61 7.125 8.245 12.079 425 HZ3 LYS 61 HZ3 LYS 61 6.969 6.749 11.289 426 H LEU 62 H LEU 62 2.311 13.492 9.618 427 HA LEU 62 HA LEU 62 0.543 12.510 11.604 428 HB2 LEU 62 HB2 LEU 62 1.789 14.809 11.380 429 HB3 LEU 62 HB3 LEU 62 0.357 15.308 10.490 430 HG LEU 62 HG LEU 62 0.354 14.146 13.292 431 HD11 LEU 62 HD11 LEU 62 -0.202 16.437 13.996 432 HD12 LEU 62 HD12 LEU 62 -0.080 16.988 12.324 433 HD13 LEU 62 HD13 LEU 62 1.354 16.404 13.168 434 HD21 LEU 62 HD21 LEU 62 -2.044 15.142 13.172 435 HD22 LEU 62 HD22 LEU 62 -1.743 13.616 12.349 436 HD23 LEU 62 HD23 LEU 62 -1.813 15.116 11.424 437 H LEU 63 H LEU 63 -0.140 14.292 8.580 438 HA LEU 63 HA LEU 63 -2.919 14.079 8.619 439 HB2 LEU 63 HB2 LEU 63 -1.181 13.945 6.147 440 HB3 LEU 63 HB3 LEU 63 -2.850 14.496 6.239 441 HG LEU 63 HG LEU 63 -0.538 15.814 7.695 442 HD11 LEU 63 HD11 LEU 63 -0.210 16.083 5.312 443 HD12 LEU 63 HD12 LEU 63 -0.835 17.603 5.953 444 HD13 LEU 63 HD13 LEU 63 -1.906 16.506 5.082 445 HD21 LEU 63 HD21 LEU 63 -2.526 16.370 8.846 446 HD22 LEU 63 HD22 LEU 63 -3.472 16.451 7.360 447 HD23 LEU 63 HD23 LEU 63 -2.303 17.715 7.733 448 H LYS 64 H LYS 64 -0.487 11.804 7.427 449 HA LYS 64 HA LYS 64 -2.117 9.957 6.147 450 HB2 LYS 64 HB2 LYS 64 0.395 9.918 6.246 451 HB3 LYS 64 HB3 LYS 64 0.266 9.277 7.883 452 HG2 LYS 64 HG2 LYS 64 -0.986 7.341 7.054 453 HG3 LYS 64 HG3 LYS 64 -0.944 7.993 5.416 454 HD2 LYS 64 HD2 LYS 64 1.426 7.728 5.269 455 HD3 LYS 64 HD3 LYS 64 1.570 7.434 7.001 456 HE2 LYS 64 HE2 LYS 64 1.730 5.330 5.695 457 HE3 LYS 64 HE3 LYS 64 0.329 5.328 6.767 458 HZ1 LYS 64 HZ1 LYS 64 -0.176 6.444 4.158 459 HZ2 LYS 64 HZ2 LYS 64 -1.079 5.317 5.052 460 HZ3 LYS 64 HZ3 LYS 64 0.250 4.801 4.129 461 H SER 65 H SER 65 -1.602 10.506 9.570 462 HA SER 65 HA SER 65 -2.892 8.088 10.437 463 HB2 SER 65 HB2 SER 65 -1.226 9.400 11.799 464 HB3 SER 65 HB3 SER 65 -2.467 10.634 12.016 465 HG SER 65 HG SER 65 -3.036 7.942 12.576 466 H VAL 66 H VAL 66 -3.877 11.429 9.880 467 HA VAL 66 HA VAL 66 -6.531 11.047 10.937 468 HB VAL 66 HB VAL 66 -5.713 13.268 9.066 469 HG11 VAL 66 HG11 VAL 66 -7.196 14.573 10.600 470 HG12 VAL 66 HG12 VAL 66 -7.557 13.083 11.470 471 HG13 VAL 66 HG13 VAL 66 -8.046 13.263 9.784 472 HG21 VAL 66 HG21 VAL 66 -4.995 12.935 11.989 473 HG22 VAL 66 HG22 VAL 66 -4.888 14.462 11.116 474 HG23 VAL 66 HG23 VAL 66 -3.879 13.098 10.633 475 H HIS 67 H HIS 67 -5.294 9.460 8.590 476 HA HIS 67 HA HIS 67 -5.926 8.629 6.537 477 HB2 HIS 67 HB2 HIS 67 -8.224 7.799 6.523 478 HB3 HIS 67 HB3 HIS 67 -7.486 7.542 8.102 479 HD1 HIS 67 HD1 HIS 67 -8.653 8.560 10.084 480 HD2 HIS 67 HD2 HIS 67 -10.006 10.166 6.483 481 HE1 HIS 67 HE1 HIS 67 -10.611 10.056 10.660 482 HE2 HIS 67 HE2 HIS 67 -11.447 11.047 8.477 483 H LEU 68 H LEU 68 -6.181 11.719 6.974 484 HA LEU 68 HA LEU 68 -8.262 12.517 5.201 485 HB2 LEU 68 HB2 LEU 68 -6.720 13.805 7.024 486 HB3 LEU 68 HB3 LEU 68 -5.881 14.301 5.565 487 HG LEU 68 HG LEU 68 -8.845 14.654 6.115 488 HD11 LEU 68 HD11 LEU 68 -8.332 16.999 6.371 489 HD12 LEU 68 HD12 LEU 68 -6.653 16.734 5.899 490 HD13 LEU 68 HD13 LEU 68 -7.249 16.098 7.433 491 HD21 LEU 68 HD21 LEU 68 -8.643 14.443 3.770 492 HD22 LEU 68 HD22 LEU 68 -7.092 15.285 3.738 493 HD23 LEU 68 HD23 LEU 68 -8.580 16.182 4.040 494 H VAL 69 H VAL 69 -5.266 11.057 4.692 495 HA VAL 69 HA VAL 69 -5.410 11.606 1.791 496 HB VAL 69 HB VAL 69 -2.998 11.935 1.683 497 HG11 VAL 69 HG11 VAL 69 -4.510 13.894 2.074 498 HG12 VAL 69 HG12 VAL 69 -2.885 14.136 2.713 499 HG13 VAL 69 HG13 VAL 69 -4.210 13.730 3.804 500 HG21 VAL 69 HG21 VAL 69 -2.215 10.614 3.522 501 HG22 VAL 69 HG22 VAL 69 -3.174 11.539 4.678 502 HG23 VAL 69 HG23 VAL 69 -1.779 12.282 3.894 503 H LYS 70 H LYS 70 -4.207 10.051 0.516 504 HA LYS 70 HA LYS 70 -3.529 7.505 1.828 505 HB2 LYS 70 HB2 LYS 70 -6.000 7.592 1.102 506 HB3 LYS 70 HB3 LYS 70 -5.390 7.589 -0.550 507 HG2 LYS 70 HG2 LYS 70 -4.126 5.492 -0.031 508 HG3 LYS 70 HG3 LYS 70 -4.874 5.479 1.566 509 HD2 LYS 70 HD2 LYS 70 -7.124 5.560 0.351 510 HD3 LYS 70 HD3 LYS 70 -6.228 5.204 -1.125 511 HE2 LYS 70 HE2 LYS 70 -6.930 3.084 -0.310 512 HE3 LYS 70 HE3 LYS 70 -5.235 3.208 0.158 513 HZ1 LYS 70 HZ1 LYS 70 -6.727 4.384 2.182 514 HZ2 LYS 70 HZ2 LYS 70 -5.861 2.923 2.245 515 HZ3 LYS 70 HZ3 LYS 70 -7.502 2.921 1.806 516 H ALA 71 H ALA 71 -2.294 6.095 0.454 517 HA ALA 71 HA ALA 71 -1.284 7.190 -2.076 518 HB1 ALA 71 HB1 ALA 71 1.074 6.806 -1.305 519 HB2 ALA 71 HB2 ALA 71 0.452 6.605 0.334 520 HB3 ALA 71 HB3 ALA 71 0.267 8.150 -0.497 521 H LYS 72 H LYS 72 0.413 5.571 -2.963 522 HA LYS 72 HA LYS 72 -0.239 2.775 -2.280 523 HB2 LYS 72 HB2 LYS 72 -1.754 3.632 -4.135 524 HB3 LYS 72 HB3 LYS 72 -0.303 3.798 -5.123 525 HG2 LYS 72 HG2 LYS 72 0.190 1.420 -4.866 526 HG3 LYS 72 HG3 LYS 72 -1.183 1.226 -3.775 527 HD2 LYS 72 HD2 LYS 72 -2.681 2.012 -5.640 528 HD3 LYS 72 HD3 LYS 72 -1.280 1.977 -6.711 529 HE2 LYS 72 HE2 LYS 72 -0.970 -0.426 -6.223 530 HE3 LYS 72 HE3 LYS 72 -2.376 -0.389 -5.157 531 HZ1 LYS 72 HZ1 LYS 72 -2.326 0.096 -8.083 532 HZ2 LYS 72 HZ2 LYS 72 -3.681 0.397 -7.104 533 HZ3 LYS 72 HZ3 LYS 72 -3.081 -1.184 -7.262 534 H ARG 73 H ARG 73 1.293 1.256 -3.078 535 HA ARG 73 HA ARG 73 3.994 2.354 -3.246 536 HB2 ARG 73 HB2 ARG 73 2.951 -0.481 -3.055 537 HB3 ARG 73 HB3 ARG 73 4.659 -0.046 -3.087 538 HG2 ARG 73 HG2 ARG 73 4.328 1.348 -1.064 539 HG3 ARG 73 HG3 ARG 73 2.632 0.865 -1.021 540 HD2 ARG 73 HD2 ARG 73 5.076 -0.860 -0.606 541 HD3 ARG 73 HD3 ARG 73 3.723 -0.604 0.493 542 HE ARG 73 HE ARG 73 2.613 -1.729 -1.771 543 HH11 ARG 73 HH21 ARG 73 5.091 -2.519 0.511 544 HH12 ARG 73 HH22 ARG 73 4.860 -4.230 0.377 545 HH21 ARG 73 HH11 ARG 73 2.302 -3.973 -1.948 546 HH22 ARG 73 HH12 ARG 73 3.282 -5.054 -1.016 547 H GLN 74 H GLN 74 5.140 2.528 -5.070 548 HA GLN 74 HA GLN 74 4.534 0.837 -7.393 549 HB2 GLN 74 HB2 GLN 74 4.506 3.866 -7.465 550 HB3 GLN 74 HB3 GLN 74 4.497 2.821 -8.887 551 HG2 GLN 74 HG2 GLN 74 2.415 1.722 -7.891 552 HG3 GLN 74 HG3 GLN 74 2.372 3.063 -6.749 553 HE21 GLN 74 HE21 GLN 74 0.871 4.582 -7.457 554 HE22 GLN 74 HE22 GLN 74 0.656 5.057 -9.072 555 H GLY 75 H GLY 75 6.322 0.346 -8.558 556 HA2 GLY 75 HA2 GLY 75 8.867 0.579 -7.530 557 HA3 GLY 75 HA3 GLY 75 8.529 0.330 -9.240 558 H GLN 76 H GLN 76 10.517 2.003 -7.668 559 HA GLN 76 HA GLN 76 11.757 3.810 -8.450 560 HB2 GLN 76 HB2 GLN 76 10.094 3.943 -10.453 561 HB3 GLN 76 HB3 GLN 76 9.289 5.186 -9.498 562 HG2 GLN 76 HG2 GLN 76 11.388 6.459 -9.355 563 HG3 GLN 76 HG3 GLN 76 12.213 5.217 -10.296 564 HE21 GLN 76 HE21 GLN 76 9.039 6.905 -10.685 565 HE22 GLN 76 HE22 GLN 76 9.328 7.373 -12.291 566 H SER 77 H SER 77 8.448 4.654 -7.361 567 HA SER 77 HA SER 77 9.500 5.748 -4.903 568 HB2 SER 77 HB2 SER 77 8.300 7.618 -6.960 569 HB3 SER 77 HB3 SER 77 8.703 8.048 -5.299 570 HG SER 77 HG SER 77 10.426 7.298 -7.407 571 H MET 78 H MET 78 7.599 7.122 -3.851 572 HA MET 78 HA MET 78 5.145 5.460 -4.023 573 HB2 MET 78 HB2 MET 78 6.476 5.510 -1.858 574 HB3 MET 78 HB3 MET 78 6.020 7.208 -1.720 575 HG2 MET 78 HG2 MET 78 3.603 6.463 -1.979 576 HG3 MET 78 HG3 MET 78 4.180 4.805 -1.800 577 HE1 MET 78 HE1 MET 78 2.699 5.037 1.616 578 HE2 MET 78 HE2 MET 78 3.437 3.858 0.531 579 HE3 MET 78 HE3 MET 78 2.253 5.008 -0.091 580 H ILE 79 H ILE 79 3.637 6.451 -5.203 581 HA ILE 79 HA ILE 79 3.558 9.328 -5.487 582 HB ILE 79 HB ILE 79 1.483 7.359 -6.447 583 HG12 ILE 79 HG12 ILE 79 3.594 6.446 -7.170 584 HG13 ILE 79 HG13 ILE 79 2.865 7.262 -8.551 585 HG21 ILE 79 HG21 ILE 79 1.062 9.006 -8.139 586 HG22 ILE 79 HG22 ILE 79 2.500 9.923 -7.691 587 HG23 ILE 79 HG23 ILE 79 1.116 9.863 -6.599 588 HD11 ILE 79 HD11 ILE 79 5.133 7.967 -8.554 589 HD12 ILE 79 HD12 ILE 79 5.143 8.214 -6.809 590 HD13 ILE 79 HD13 ILE 79 4.247 9.319 -7.851 591 H TYR 80 H TYR 80 2.267 10.730 -4.482 592 HA TYR 80 HA TYR 80 0.247 9.722 -2.548 593 HB2 TYR 80 HB2 TYR 80 1.671 12.393 -2.568 594 HB3 TYR 80 HB3 TYR 80 0.614 11.760 -1.306 595 HD1 TYR 80 HD2 TYR 80 3.886 11.323 -3.001 596 HD2 TYR 80 HD1 TYR 80 1.402 10.163 0.305 597 HE1 TYR 80 HE2 TYR 80 5.831 10.221 -1.927 598 HE2 TYR 80 HE1 TYR 80 3.347 9.062 1.380 599 HH TYR 80 HH TYR 80 5.951 8.124 -0.044 600 H SER 81 H SER 81 -1.813 10.566 -2.614 601 HA SER 81 HA SER 81 -2.470 12.786 -4.371 602 HB2 SER 81 HB2 SER 81 -2.443 11.049 -6.027 603 HB3 SER 81 HB3 SER 81 -3.345 9.957 -4.978 604 HG SER 81 HG SER 81 -4.834 10.836 -6.317 605 H LEU 82 H LEU 82 -5.105 12.641 -4.567 606 HA LEU 82 HA LEU 82 -5.994 13.079 -1.868 607 HB2 LEU 82 HB2 LEU 82 -7.685 12.967 -4.373 608 HB3 LEU 82 HB3 LEU 82 -8.069 13.782 -2.859 609 HG LEU 82 HG LEU 82 -5.721 14.497 -4.642 610 HD11 LEU 82 HD11 LEU 82 -8.451 15.780 -4.334 611 HD12 LEU 82 HD12 LEU 82 -7.817 14.993 -5.780 612 HD13 LEU 82 HD13 LEU 82 -7.099 16.500 -5.209 613 HD21 LEU 82 HD21 LEU 82 -6.888 15.661 -2.108 614 HD22 LEU 82 HD22 LEU 82 -5.908 16.637 -3.200 615 HD23 LEU 82 HD23 LEU 82 -5.216 15.209 -2.437 616 H ASP 83 H ASP 83 -8.168 12.143 -1.183 617 HA ASP 83 HA ASP 83 -7.934 9.261 -1.157 618 HB2 ASP 83 HB2 ASP 83 -9.937 11.164 0.079 619 HB3 ASP 83 HB3 ASP 83 -9.977 9.416 0.302 620 H ASP 84 H ASP 84 -10.500 11.548 -2.128 621 HA ASP 84 HA ASP 84 -11.162 9.931 -4.436 622 HB2 ASP 84 HB2 ASP 84 -13.594 9.748 -3.679 623 HB3 ASP 84 HB3 ASP 84 -12.447 8.660 -2.903 624 H ILE 85 H ILE 85 -13.032 12.195 -2.406 625 HA ILE 85 HA ILE 85 -12.578 14.428 -4.134 626 HB ILE 85 HB ILE 85 -14.095 13.075 -5.569 627 HG12 ILE 85 HG12 ILE 85 -15.547 15.501 -4.490 628 HG13 ILE 85 HG13 ILE 85 -14.081 15.639 -5.463 629 HG21 ILE 85 HG21 ILE 85 -16.191 13.590 -3.451 630 HG22 ILE 85 HG22 ILE 85 -15.295 12.073 -3.541 631 HG23 ILE 85 HG23 ILE 85 -16.325 12.572 -4.884 632 HD11 ILE 85 HD11 ILE 85 -16.231 15.780 -6.787 633 HD12 ILE 85 HD12 ILE 85 -16.535 14.100 -6.350 634 HD13 ILE 85 HD13 ILE 85 -15.125 14.515 -7.325 635 H HIS 86 H HIS 86 -14.329 12.869 -1.555 636 HA HIS 86 HA HIS 86 -15.901 14.892 -0.539 637 HB2 HIS 86 HB2 HIS 86 -14.214 12.913 1.015 638 HB3 HIS 86 HB3 HIS 86 -15.555 13.848 1.678 639 HD1 HIS 86 HD1 HIS 86 -15.051 10.582 0.727 640 HD2 HIS 86 HD2 HIS 86 -17.881 13.384 -0.502 641 HE1 HIS 86 HE1 HIS 86 -16.979 9.268 -0.249 642 HE2 HIS 86 HE2 HIS 86 -18.720 10.959 -0.994 643 H VAL 87 H VAL 87 -12.422 14.623 -0.504 644 HA VAL 87 HA VAL 87 -11.991 16.622 1.513 645 HB VAL 87 HB VAL 87 -9.640 16.515 0.785 646 HG11 VAL 87 HG11 VAL 87 -10.551 14.787 2.315 647 HG12 VAL 87 HG12 VAL 87 -9.278 14.136 1.283 648 HG13 VAL 87 HG13 VAL 87 -10.970 13.790 0.921 649 HG21 VAL 87 HG21 VAL 87 -10.847 14.885 -1.458 650 HG22 VAL 87 HG22 VAL 87 -9.137 14.789 -1.035 651 HG23 VAL 87 HG23 VAL 87 -9.825 16.316 -1.587 652 H ALA 88 H ALA 88 -12.059 16.582 -2.025 653 HA ALA 88 HA ALA 88 -11.190 19.273 -2.370 654 HB1 ALA 88 HB1 ALA 88 -12.795 17.464 -4.195 655 HB2 ALA 88 HB2 ALA 88 -11.042 17.661 -4.194 656 HB3 ALA 88 HB3 ALA 88 -12.080 19.004 -4.674 657 H THR 89 H THR 89 -14.121 17.921 -1.295 658 HA THR 89 HA THR 89 -15.872 19.991 -2.264 659 HB THR 89 HB THR 89 -16.404 18.107 0.036 660 HG1 THR 89 HG1 THR 89 -16.028 16.651 -1.444 661 HG21 THR 89 HG21 THR 89 -18.725 18.361 -0.707 662 HG22 THR 89 HG22 THR 89 -18.202 19.380 -2.049 663 HG23 THR 89 HG23 THR 89 -18.021 19.947 -0.389 664 H MET 90 H MET 90 -14.923 19.087 1.062 665 HA MET 90 HA MET 90 -15.875 21.336 2.359 666 HB2 MET 90 HB2 MET 90 -14.877 19.228 3.384 667 HB3 MET 90 HB3 MET 90 -13.295 19.960 3.117 668 HG2 MET 90 HG2 MET 90 -13.918 20.552 5.349 669 HG3 MET 90 HG3 MET 90 -14.176 22.001 4.376 670 HE1 MET 90 HE1 MET 90 -15.730 18.712 5.507 671 HE2 MET 90 HE2 MET 90 -17.232 19.207 6.288 672 HE3 MET 90 HE3 MET 90 -15.683 19.698 6.970 673 H LEU 91 H LEU 91 -12.889 20.929 0.551 674 HA LEU 91 HA LEU 91 -11.514 23.209 1.422 675 HB2 LEU 91 HB2 LEU 91 -10.374 21.546 0.115 676 HB3 LEU 91 HB3 LEU 91 -11.498 21.746 -1.225 677 HG LEU 91 HG LEU 91 -10.652 23.954 -1.701 678 HD11 LEU 91 HD11 LEU 91 -9.205 23.605 0.928 679 HD12 LEU 91 HD12 LEU 91 -10.267 24.922 0.427 680 HD13 LEU 91 HD13 LEU 91 -8.658 24.775 -0.273 681 HD21 LEU 91 HD21 LEU 91 -9.338 22.068 -2.577 682 HD22 LEU 91 HD22 LEU 91 -8.367 22.052 -1.105 683 HD23 LEU 91 HD23 LEU 91 -8.289 23.434 -2.198 684 H LYS 92 H LYS 92 -13.448 22.834 -1.558 685 HA LYS 92 HA LYS 92 -13.407 25.550 -2.279 686 HB2 LYS 92 HB2 LYS 92 -15.356 23.332 -2.934 687 HB3 LYS 92 HB3 LYS 92 -15.419 24.931 -3.676 688 HG2 LYS 92 HG2 LYS 92 -13.119 24.646 -4.509 689 HG3 LYS 92 HG3 LYS 92 -13.035 23.057 -3.750 690 HD2 LYS 92 HD2 LYS 92 -15.076 22.421 -5.133 691 HD3 LYS 92 HD3 LYS 92 -14.835 23.925 -6.023 692 HE2 LYS 92 HE2 LYS 92 -12.752 21.741 -5.713 693 HE3 LYS 92 HE3 LYS 92 -13.750 21.987 -7.146 694 HZ1 LYS 92 HZ1 LYS 92 -11.512 23.565 -6.143 695 HZ2 LYS 92 HZ2 LYS 92 -12.791 24.419 -6.864 696 HZ3 LYS 92 HZ3 LYS 92 -11.969 23.219 -7.741 697 H GLN 93 H GLN 93 -16.149 23.715 -0.918 698 HA GLN 93 HA GLN 93 -17.991 25.643 -0.557 699 HB2 GLN 93 HB2 GLN 93 -17.248 23.479 1.423 700 HB3 GLN 93 HB3 GLN 93 -18.736 24.422 1.496 701 HG2 GLN 93 HG2 GLN 93 -17.899 22.846 -0.948 702 HG3 GLN 93 HG3 GLN 93 -18.938 22.184 0.313 703 HE21 GLN 93 HE21 GLN 93 -18.787 24.531 -2.331 704 HE22 GLN 93 HE22 GLN 93 -20.446 24.891 -2.338 705 H ALA 94 H ALA 94 -14.970 25.438 1.161 706 HA ALA 94 HA ALA 94 -15.727 27.163 3.322 707 HB1 ALA 94 HB1 ALA 94 -13.815 25.465 3.297 708 HB2 ALA 94 HB2 ALA 94 -13.450 27.048 3.984 709 HB3 ALA 94 HB3 ALA 94 -12.915 26.651 2.351 710 H ILE 95 H ILE 95 -13.376 27.679 0.684 711 HA ILE 95 HA ILE 95 -13.079 30.425 1.043 712 HB ILE 95 HB ILE 95 -12.965 29.072 -1.652 713 HG12 ILE 95 HG12 ILE 95 -11.779 27.595 -0.161 714 HG13 ILE 95 HG13 ILE 95 -10.576 28.547 -1.028 715 HG21 ILE 95 HG21 ILE 95 -11.342 31.299 -0.386 716 HG22 ILE 95 HG22 ILE 95 -12.639 31.525 -1.560 717 HG23 ILE 95 HG23 ILE 95 -11.159 30.691 -2.031 718 HD11 ILE 95 HD11 ILE 95 -10.657 30.161 0.979 719 HD12 ILE 95 HD12 ILE 95 -9.868 28.605 1.232 720 HD13 ILE 95 HD13 ILE 95 -11.507 28.868 1.826 721 H HIS 96 H HIS 96 -15.636 28.643 -0.515 722 HA HIS 96 HA HIS 96 -16.687 30.910 -1.958 723 HB2 HIS 96 HB2 HIS 96 -17.721 28.127 -1.398 724 HB3 HIS 96 HB3 HIS 96 -18.670 29.327 -2.276 725 HD1 HIS 96 HD1 HIS 96 -16.063 26.820 -2.756 726 HD2 HIS 96 HD2 HIS 96 -17.231 30.323 -4.691 727 HE1 HIS 96 HE1 HIS 96 -14.952 26.785 -5.032 728 HE2 HIS 96 HE2 HIS 96 -15.658 28.909 -6.227 729 H HIS 97 H HIS 97 -17.370 29.314 1.126 730 HA HIS 97 HA HIS 97 -19.832 30.445 1.727 731 HB2 HIS 97 HB2 HIS 97 -18.712 28.753 3.144 732 HB3 HIS 97 HB3 HIS 97 -17.551 29.976 3.664 733 HD1 HIS 97 HD1 HIS 97 -21.140 28.946 4.035 734 HD2 HIS 97 HD2 HIS 97 -18.613 31.946 5.446 735 HE1 HIS 97 HE1 HIS 97 -22.402 30.134 5.879 736 HE2 HIS 97 HE2 HIS 97 -20.879 31.970 6.748 737 H ALA 98 H ALA 98 -16.677 31.713 2.827 738 HA ALA 98 HA ALA 98 -17.412 34.061 3.956 739 HB1 ALA 98 HB1 ALA 98 -15.075 33.281 3.769 740 HB2 ALA 98 HB2 ALA 98 -15.238 34.973 3.301 741 HB3 ALA 98 HB3 ALA 98 -15.074 33.729 2.062 742 H ASN 99 H ASN 99 -17.214 33.419 0.488 743 HA ASN 99 HA ASN 99 -19.006 35.622 -0.060 744 HB2 ASN 99 HB2 ASN 99 -16.173 35.676 -1.129 745 HB3 ASN 99 HB3 ASN 99 -17.476 36.741 -1.652 746 HD21 ASN 99 HD21 ASN 99 -14.912 36.485 0.553 747 HD22 ASN 99 HD22 ASN 99 -15.406 37.687 1.645 748 H HIS 100 H HIS 100 -20.260 33.834 -0.802 749 HA HIS 100 HA HIS 100 -19.314 32.200 -2.983 750 HB2 HIS 100 HB2 HIS 100 -21.856 31.559 -2.979 751 HB3 HIS 100 HB3 HIS 100 -20.853 31.088 -1.609 752 HD1 HIS 100 HD1 HIS 100 -21.750 31.751 0.612 753 HD2 HIS 100 HD2 HIS 100 -23.172 34.246 -2.410 754 HE1 HIS 100 HE1 HIS 100 -23.384 33.342 1.709 755 HE2 HIS 100 HE2 HIS 100 -24.265 34.868 -0.119 756 HA PRO 101 HA PRO 101 -20.654 34.964 -6.195 757 HB2 PRO 101 HB2 PRO 101 -21.088 33.270 -8.277 758 HB3 PRO 101 HB3 PRO 101 -19.464 33.541 -7.618 759 HG2 PRO 101 HG2 PRO 101 -21.371 31.297 -7.061 760 HG3 PRO 101 HG3 PRO 101 -19.642 31.221 -7.444 761 HD2 PRO 101 HD2 PRO 101 -20.580 31.079 -4.876 762 HD3 PRO 101 HD3 PRO 101 -19.008 31.804 -5.272 763 H LYS 102 H LYS 102 -22.525 35.921 -6.886 764 HA LYS 102 HA LYS 102 -24.982 35.329 -5.783 765 HB2 LYS 102 HB2 LYS 102 -24.334 36.748 -8.374 766 HB3 LYS 102 HB3 LYS 102 -25.943 36.716 -7.654 767 HG2 LYS 102 HG2 LYS 102 -25.176 37.851 -5.682 768 HG3 LYS 102 HG3 LYS 102 -23.487 37.650 -6.149 769 HD2 LYS 102 HD2 LYS 102 -24.175 39.933 -6.644 770 HD3 LYS 102 HD3 LYS 102 -23.920 39.070 -8.160 771 HE2 LYS 102 HE2 LYS 102 -26.239 38.858 -8.565 772 HE3 LYS 102 HE3 LYS 102 -26.656 39.214 -6.888 773 HZ1 LYS 102 HZ1 LYS 102 -25.960 41.463 -7.172 774 HZ2 LYS 102 HZ2 LYS 102 -27.041 41.086 -8.427 775 HZ3 LYS 102 HZ3 LYS 102 -25.371 41.150 -8.733 776 H GLU 103 H GLU 103 -25.492 33.141 -5.905 777 HA GLU 103 HA GLU 103 -26.338 31.203 -6.812 778 HB2 GLU 103 HB2 GLU 103 -28.181 32.802 -7.303 779 HB3 GLU 103 HB3 GLU 103 -27.450 33.118 -8.876 780 HG2 GLU 103 HG2 GLU 103 -27.699 30.771 -9.502 781 HG3 GLU 103 HG3 GLU 103 -28.327 30.383 -7.902 782 H ASN 9 H ASN 9 -2.570 38.397 -1.283 783 HA ASN 9 HA ASN 9 -4.236 38.081 0.251 784 HB2 ASN 9 HB2 ASN 9 -3.855 35.283 -0.838 785 HB3 ASN 9 HB3 ASN 9 -5.373 36.087 -0.442 786 HD21 ASN 9 HD21 ASN 9 -3.773 35.112 -3.086 787 HD22 ASN 9 HD22 ASN 9 -4.141 36.369 -4.166 788 H THR 10 H THR 10 -1.329 36.902 1.115 789 HA THR 10 HA THR 10 -1.547 34.826 2.852 790 HB THR 10 HB THR 10 0.222 35.901 4.203 791 HG1 THR 10 HG1 THR 10 0.560 38.100 2.755 792 HG21 THR 10 HG21 THR 10 0.687 34.854 1.956 793 HG22 THR 10 HG22 THR 10 1.848 36.096 2.425 794 HG23 THR 10 HG23 THR 10 0.587 36.465 1.248 795 H ASP 11 H ASP 11 -3.164 37.839 3.105 796 HA ASP 11 HA ASP 11 -3.646 37.722 5.951 797 HB2 ASP 11 HB2 ASP 11 -4.833 39.393 3.728 798 HB3 ASP 11 HB3 ASP 11 -5.298 39.555 5.420 799 H THR 12 H THR 12 -5.853 37.569 3.146 800 HA THR 12 HA THR 12 -8.063 36.558 4.531 801 HB THR 12 HB THR 12 -8.932 35.919 2.341 802 HG1 THR 12 HG1 THR 12 -6.706 35.140 1.733 803 HG21 THR 12 HG21 THR 12 -8.901 38.313 2.923 804 HG22 THR 12 HG22 THR 12 -8.650 38.091 1.191 805 HG23 THR 12 HG23 THR 12 -7.282 38.463 2.240 806 H LEU 13 H LEU 13 -5.133 35.028 3.640 807 HA LEU 13 HA LEU 13 -6.071 32.353 3.409 808 HB2 LEU 13 HB2 LEU 13 -3.918 32.914 2.501 809 HB3 LEU 13 HB3 LEU 13 -3.357 33.525 4.053 810 HG LEU 13 HG LEU 13 -3.337 31.313 5.005 811 HD11 LEU 13 HD11 LEU 13 -4.802 30.563 2.471 812 HD12 LEU 13 HD12 LEU 13 -5.288 30.274 4.141 813 HD13 LEU 13 HD13 LEU 13 -3.961 29.352 3.439 814 HD21 LEU 13 HD21 LEU 13 -1.383 31.855 3.663 815 HD22 LEU 13 HD22 LEU 13 -2.205 31.331 2.193 816 HD23 LEU 13 HD23 LEU 13 -1.775 30.151 3.431 817 H GLU 14 H GLU 14 -4.323 33.986 6.068 818 HA GLU 14 HA GLU 14 -4.506 31.967 7.961 819 HB2 GLU 14 HB2 GLU 14 -3.156 34.007 8.258 820 HB3 GLU 14 HB3 GLU 14 -4.632 34.952 8.449 821 HG2 GLU 14 HG2 GLU 14 -5.206 33.827 10.475 822 HG3 GLU 14 HG3 GLU 14 -3.999 32.571 10.202 823 H ARG 15 H ARG 15 -6.999 33.984 6.706 824 HA ARG 15 HA ARG 15 -8.781 33.765 8.942 825 HB2 ARG 15 HB2 ARG 15 -8.816 35.541 7.119 826 HB3 ARG 15 HB3 ARG 15 -9.507 34.329 6.055 827 HG2 ARG 15 HG2 ARG 15 -10.847 34.765 8.719 828 HG3 ARG 15 HG3 ARG 15 -11.050 36.003 7.493 829 HD2 ARG 15 HD2 ARG 15 -11.751 33.072 7.200 830 HD3 ARG 15 HD3 ARG 15 -12.874 34.416 7.341 831 HE ARG 15 HE ARG 15 -11.435 33.626 4.965 832 HH11 ARG 15 HH21 ARG 15 -12.964 36.205 6.693 833 HH12 ARG 15 HH22 ARG 15 -13.366 37.106 5.270 834 HH21 ARG 15 HH11 ARG 15 -11.958 34.801 3.093 835 HH22 ARG 15 HH12 ARG 15 -12.794 36.312 3.231 836 H VAL 16 H VAL 16 -8.195 31.965 5.982 837 HA VAL 16 HA VAL 16 -10.487 30.300 6.080 838 HB VAL 16 HB VAL 16 -7.757 29.803 4.863 839 HG11 VAL 16 HG11 VAL 16 -8.873 27.690 5.084 840 HG12 VAL 16 HG12 VAL 16 -9.112 28.208 3.415 841 HG13 VAL 16 HG13 VAL 16 -10.417 28.383 4.587 842 HG21 VAL 16 HG21 VAL 16 -10.343 30.734 3.582 843 HG22 VAL 16 HG22 VAL 16 -8.764 30.599 2.808 844 HG23 VAL 16 HG23 VAL 16 -9.035 31.819 4.054 845 H THR 17 H THR 17 -7.601 30.373 7.930 846 HA THR 17 HA THR 17 -7.792 27.573 8.777 847 HB THR 17 HB THR 17 -5.918 29.705 9.810 848 HG1 THR 17 HG1 THR 17 -5.219 29.665 7.828 849 HG21 THR 17 HG21 THR 17 -6.068 27.648 11.141 850 HG22 THR 17 HG22 THR 17 -4.515 27.718 10.307 851 HG23 THR 17 HG23 THR 17 -5.800 26.676 9.694 852 H GLU 18 H GLU 18 -8.546 30.798 9.906 853 HA GLU 18 HA GLU 18 -8.940 30.026 12.649 854 HB2 GLU 18 HB2 GLU 18 -9.612 32.515 11.076 855 HB3 GLU 18 HB3 GLU 18 -10.015 32.330 12.783 856 HG2 GLU 18 HG2 GLU 18 -7.216 31.932 11.702 857 HG3 GLU 18 HG3 GLU 18 -7.796 33.482 12.308 858 H ILE 19 H ILE 19 -10.796 29.702 9.822 859 HA ILE 19 HA ILE 19 -13.398 29.993 10.973 860 HB ILE 19 HB ILE 19 -12.820 30.077 8.500 861 HG12 ILE 19 HG12 ILE 19 -15.029 28.207 9.406 862 HG13 ILE 19 HG13 ILE 19 -15.131 29.966 9.331 863 HG21 ILE 19 HG21 ILE 19 -12.515 28.084 7.274 864 HG22 ILE 19 HG22 ILE 19 -13.067 27.070 8.606 865 HG23 ILE 19 HG23 ILE 19 -11.495 27.860 8.694 866 HD11 ILE 19 HD11 ILE 19 -14.561 29.774 6.857 867 HD12 ILE 19 HD12 ILE 19 -16.143 29.147 7.317 868 HD13 ILE 19 HD13 ILE 19 -14.807 28.035 7.022 869 H PHE 20 H PHE 20 -11.198 27.279 10.467 870 HA PHE 20 HA PHE 20 -13.041 25.297 11.436 871 HB2 PHE 20 HB2 PHE 20 -10.040 25.205 11.032 872 HB3 PHE 20 HB3 PHE 20 -11.054 23.811 11.403 873 HD1 PHE 20 HD1 PHE 20 -13.101 23.406 9.835 874 HD2 PHE 20 HD2 PHE 20 -9.708 25.819 8.777 875 HE1 PHE 20 HE1 PHE 20 -13.678 23.166 7.436 876 HE2 PHE 20 HE2 PHE 20 -10.285 25.577 6.377 877 HZ PHE 20 HZ PHE 20 -12.271 24.253 5.706 878 H LYS 21 H LYS 21 -9.943 26.502 12.760 879 HA LYS 21 HA LYS 21 -10.015 25.324 15.228 880 HB2 LYS 21 HB2 LYS 21 -9.073 28.120 14.549 881 HB3 LYS 21 HB3 LYS 21 -8.678 27.264 16.039 882 HG2 LYS 21 HG2 LYS 21 -7.782 25.387 14.519 883 HG3 LYS 21 HG3 LYS 21 -7.873 26.566 13.210 884 HD2 LYS 21 HD2 LYS 21 -6.355 26.978 15.803 885 HD3 LYS 21 HD3 LYS 21 -5.619 26.487 14.278 886 HE2 LYS 21 HE2 LYS 21 -5.309 28.823 14.310 887 HE3 LYS 21 HE3 LYS 21 -6.740 28.622 13.300 888 HZ1 LYS 21 HZ1 LYS 21 -6.511 30.098 15.632 889 HZ2 LYS 21 HZ2 LYS 21 -7.481 28.760 16.023 890 HZ3 LYS 21 HZ3 LYS 21 -7.924 29.787 14.744 891 H ALA 22 H ALA 22 -11.741 28.231 14.201 892 HA ALA 22 HA ALA 22 -12.630 29.100 16.718 893 HB1 ALA 22 HB1 ALA 22 -13.859 29.360 13.967 894 HB2 ALA 22 HB2 ALA 22 -12.875 30.549 14.821 895 HB3 ALA 22 HB3 ALA 22 -14.500 30.171 15.397 896 H LEU 23 H LEU 23 -13.586 26.414 14.780 897 HA LEU 23 HA LEU 23 -16.161 26.054 16.087 898 HB2 LEU 23 HB2 LEU 23 -15.523 25.443 13.644 899 HB3 LEU 23 HB3 LEU 23 -14.758 24.029 14.353 900 HG LEU 23 HG LEU 23 -17.081 23.722 15.575 901 HD11 LEU 23 HD11 LEU 23 -18.147 25.797 14.911 902 HD12 LEU 23 HD12 LEU 23 -18.961 24.472 14.087 903 HD13 LEU 23 HD13 LEU 23 -17.811 25.477 13.210 904 HD21 LEU 23 HD21 LEU 23 -16.251 22.109 13.972 905 HD22 LEU 23 HD22 LEU 23 -16.645 23.181 12.627 906 HD23 LEU 23 HD23 LEU 23 -17.936 22.456 13.584 907 H GLY 24 H GLY 24 -12.974 25.466 16.889 908 HA2 GLY 24 HA2 GLY 24 -13.007 22.906 18.037 909 HA3 GLY 24 HA3 GLY 24 -11.968 24.232 18.547 910 H ASP 25 H ASP 25 -15.151 22.765 18.970 911 HA ASP 25 HA ASP 25 -15.156 23.211 21.777 912 HB2 ASP 25 HB2 ASP 25 -15.663 25.535 20.913 913 HB3 ASP 25 HB3 ASP 25 -17.157 24.881 20.247 914 H TYR 26 H TYR 26 -15.817 21.136 22.062 915 HA TYR 26 HA TYR 26 -17.492 19.595 20.544 916 HB2 TYR 26 HB2 TYR 26 -17.367 19.604 23.570 917 HB3 TYR 26 HB3 TYR 26 -17.932 18.275 22.559 918 HD1 TYR 26 HD1 TYR 26 -16.367 16.974 21.189 919 HD2 TYR 26 HD2 TYR 26 -14.999 20.166 23.716 920 HE1 TYR 26 HE1 TYR 26 -14.037 16.155 20.964 921 HE2 TYR 26 HE2 TYR 26 -12.669 19.351 23.485 922 HH TYR 26 HH TYR 26 -11.925 16.428 21.580 923 H ASN 27 H ASN 27 -18.627 21.166 23.537 924 HA ASN 27 HA ASN 27 -21.281 20.723 23.380 925 HB2 ASN 27 HB2 ASN 27 -20.115 22.001 25.180 926 HB3 ASN 27 HB3 ASN 27 -20.109 23.411 24.121 927 HD21 ASN 27 HD21 ASN 27 -22.392 21.042 25.590 928 HD22 ASN 27 HD22 ASN 27 -23.680 22.141 25.711 929 H ARG 28 H ARG 28 -19.502 23.027 21.406 930 HA ARG 28 HA ARG 28 -21.806 24.387 20.410 931 HB2 ARG 28 HB2 ARG 28 -19.460 25.302 20.420 932 HB3 ARG 28 HB3 ARG 28 -19.091 24.196 19.096 933 HG2 ARG 28 HG2 ARG 28 -20.784 25.224 17.694 934 HG3 ARG 28 HG3 ARG 28 -21.335 26.233 19.031 935 HD2 ARG 28 HD2 ARG 28 -18.558 26.318 17.818 936 HD3 ARG 28 HD3 ARG 28 -19.844 27.472 17.471 937 HE ARG 28 HE ARG 28 -19.532 27.425 20.241 938 HH11 ARG 28 HH21 ARG 28 -17.704 28.195 17.404 939 HH12 ARG 28 HH22 ARG 28 -16.718 29.380 18.194 940 HH21 ARG 28 HH11 ARG 28 -18.243 28.972 21.283 941 HH22 ARG 28 HH12 ARG 28 -17.027 29.824 20.391 942 H ILE 29 H ILE 29 -20.025 21.535 19.407 943 HA ILE 29 HA ILE 29 -21.043 21.381 16.769 944 HB ILE 29 HB ILE 29 -20.173 19.068 18.514 945 HG12 ILE 29 HG12 ILE 29 -18.514 20.871 16.721 946 HG13 ILE 29 HG13 ILE 29 -18.504 20.916 18.484 947 HG21 ILE 29 HG21 ILE 29 -20.130 19.492 15.508 948 HG22 ILE 29 HG22 ILE 29 -21.302 18.495 16.371 949 HG23 ILE 29 HG23 ILE 29 -19.598 18.041 16.358 950 HD11 ILE 29 HD11 ILE 29 -16.626 19.566 17.732 951 HD12 ILE 29 HD12 ILE 29 -17.691 18.581 16.729 952 HD13 ILE 29 HD13 ILE 29 -17.815 18.505 18.487 953 H ARG 30 H ARG 30 -22.313 20.328 19.879 954 HA ARG 30 HA ARG 30 -24.365 18.659 18.786 955 HB2 ARG 30 HB2 ARG 30 -24.324 19.995 21.500 956 HB3 ARG 30 HB3 ARG 30 -25.217 18.548 21.032 957 HG2 ARG 30 HG2 ARG 30 -23.056 17.397 20.579 958 HG3 ARG 30 HG3 ARG 30 -22.199 18.832 21.144 959 HD2 ARG 30 HD2 ARG 30 -22.403 17.129 22.933 960 HD3 ARG 30 HD3 ARG 30 -23.250 18.616 23.349 961 HE ARG 30 HE ARG 30 -24.982 16.732 22.056 962 HH11 ARG 30 HH21 ARG 30 -23.419 17.567 25.029 963 HH12 ARG 30 HH22 ARG 30 -24.626 16.831 26.031 964 HH21 ARG 30 HH11 ARG 30 -26.568 15.763 23.364 965 HH22 ARG 30 HH12 ARG 30 -26.408 15.810 25.088 966 H ILE 31 H ILE 31 -24.096 22.060 19.598 967 HA ILE 31 HA ILE 31 -26.921 22.582 19.450 968 HB ILE 31 HB ILE 31 -24.585 24.503 19.303 969 HG12 ILE 31 HG12 ILE 31 -26.311 23.772 21.683 970 HG13 ILE 31 HG13 ILE 31 -24.742 23.031 21.368 971 HG21 ILE 31 HG21 ILE 31 -27.550 24.875 19.813 972 HG22 ILE 31 HG22 ILE 31 -26.608 25.542 18.479 973 HG23 ILE 31 HG23 ILE 31 -26.340 26.119 20.123 974 HD11 ILE 31 HD11 ILE 31 -23.742 25.342 21.327 975 HD12 ILE 31 HD12 ILE 31 -24.400 24.879 22.895 976 HD13 ILE 31 HD13 ILE 31 -25.307 25.971 21.847 977 H MET 32 H MET 32 -24.163 22.934 17.258 978 HA MET 32 HA MET 32 -25.589 24.242 15.175 979 HB2 MET 32 HB2 MET 32 -23.063 22.576 15.122 980 HB3 MET 32 HB3 MET 32 -23.660 23.522 13.758 981 HG2 MET 32 HG2 MET 32 -23.103 24.711 16.488 982 HG3 MET 32 HG3 MET 32 -21.921 24.699 15.179 983 HE1 MET 32 HE1 MET 32 -22.731 25.463 12.653 984 HE2 MET 32 HE2 MET 32 -21.628 26.441 13.621 985 HE3 MET 32 HE3 MET 32 -22.924 27.216 12.711 986 H GLU 33 H GLU 33 -25.524 21.004 16.279 987 HA GLU 33 HA GLU 33 -26.183 19.739 13.789 988 HB2 GLU 33 HB2 GLU 33 -25.105 18.626 15.803 989 HB3 GLU 33 HB3 GLU 33 -26.699 18.647 16.557 990 HG2 GLU 33 HG2 GLU 33 -26.499 16.514 15.490 991 HG3 GLU 33 HG3 GLU 33 -27.563 17.476 14.465 992 H LEU 34 H LEU 34 -28.145 19.879 16.769 993 HA LEU 34 HA LEU 34 -30.555 19.220 15.594 994 HB2 LEU 34 HB2 LEU 34 -31.631 20.308 17.554 995 HB3 LEU 34 HB3 LEU 34 -30.332 19.204 17.965 996 HG LEU 34 HG LEU 34 -28.875 21.487 17.826 997 HD11 LEU 34 HD11 LEU 34 -30.196 23.308 18.929 998 HD12 LEU 34 HD12 LEU 34 -31.662 22.386 18.611 999 HD13 LEU 34 HD13 LEU 34 -30.693 22.994 17.270 1000 HD21 LEU 34 HD21 LEU 34 -29.147 21.708 20.273 1001 HD22 LEU 34 HD22 LEU 34 -28.968 20.023 19.782 1002 HD23 LEU 34 HD23 LEU 34 -30.560 20.654 20.201 1003 H LEU 35 H LEU 35 -28.883 22.258 15.516 1004 HA LEU 35 HA LEU 35 -31.164 23.822 14.736 1005 HB2 LEU 35 HB2 LEU 35 -28.819 24.522 15.778 1006 HB3 LEU 35 HB3 LEU 35 -28.344 24.650 14.097 1007 HG LEU 35 HG LEU 35 -29.076 26.814 14.762 1008 HD11 LEU 35 HD11 LEU 35 -29.919 25.837 12.550 1009 HD12 LEU 35 HD12 LEU 35 -30.743 27.271 13.155 1010 HD13 LEU 35 HD13 LEU 35 -31.487 25.686 13.348 1011 HD21 LEU 35 HD21 LEU 35 -31.822 25.883 15.563 1012 HD22 LEU 35 HD22 LEU 35 -30.947 27.339 16.018 1013 HD23 LEU 35 HD23 LEU 35 -30.504 25.794 16.729 1014 H SER 36 H SER 36 -28.454 22.265 13.056 1015 HA SER 36 HA SER 36 -28.862 23.131 10.467 1016 HB2 SER 36 HB2 SER 36 -27.714 21.183 9.747 1017 HB3 SER 36 HB3 SER 36 -27.077 21.523 11.354 1018 HG SER 36 HG SER 36 -28.683 19.451 10.464 1019 H VAL 37 H VAL 37 -30.544 20.544 12.214 1020 HA VAL 37 HA VAL 37 -32.128 19.538 10.154 1021 HB VAL 37 HB VAL 37 -32.984 19.930 13.032 1022 HG11 VAL 37 HG11 VAL 37 -33.816 18.038 10.817 1023 HG12 VAL 37 HG12 VAL 37 -34.825 19.218 11.654 1024 HG13 VAL 37 HG13 VAL 37 -34.243 17.790 12.510 1025 HG21 VAL 37 HG21 VAL 37 -32.026 17.643 13.352 1026 HG22 VAL 37 HG22 VAL 37 -30.798 18.847 12.964 1027 HG23 VAL 37 HG23 VAL 37 -31.360 17.728 11.721 1028 H SER 38 H SER 38 -33.215 21.890 12.608 1029 HA SER 38 HA SER 38 -34.613 23.448 10.549 1030 HB2 SER 38 HB2 SER 38 -36.760 23.209 11.470 1031 HB3 SER 38 HB3 SER 38 -36.120 21.566 11.499 1032 HG SER 38 HG SER 38 -35.830 23.344 13.675 1033 H GLU 39 H GLU 39 -35.757 25.357 11.661 1034 HA GLU 39 HA GLU 39 -33.769 26.737 13.217 1035 HB2 GLU 39 HB2 GLU 39 -36.580 27.603 12.495 1036 HB3 GLU 39 HB3 GLU 39 -35.276 28.643 13.064 1037 HG2 GLU 39 HG2 GLU 39 -33.976 28.222 11.076 1038 HG3 GLU 39 HG3 GLU 39 -35.095 26.969 10.546 1039 H ALA 40 H ALA 40 -34.457 27.984 15.204 1040 HA ALA 40 HA ALA 40 -36.526 26.783 16.848 1041 HB1 ALA 40 HB1 ALA 40 -34.547 25.238 17.074 1042 HB2 ALA 40 HB2 ALA 40 -35.078 25.970 18.587 1043 HB3 ALA 40 HB3 ALA 40 -33.650 26.592 17.760 1044 H SER 41 H SER 41 -36.890 27.953 18.807 1045 HA SER 41 HA SER 41 -36.070 30.764 18.638 1046 HB2 SER 41 HB2 SER 41 -38.461 30.155 19.008 1047 HB3 SER 41 HB3 SER 41 -38.001 29.415 20.540 1048 HG SER 41 HG SER 41 -38.646 31.864 20.224 1049 H VAL 42 H VAL 42 -35.379 31.869 20.635 1050 HA VAL 42 HA VAL 42 -33.127 30.670 21.789 1051 HB VAL 42 HB VAL 42 -34.807 33.010 22.716 1052 HG11 VAL 42 HG11 VAL 42 -32.166 31.925 23.722 1053 HG12 VAL 42 HG12 VAL 42 -33.623 32.257 24.658 1054 HG13 VAL 42 HG13 VAL 42 -32.677 33.590 23.998 1055 HG21 VAL 42 HG21 VAL 42 -32.078 32.954 21.405 1056 HG22 VAL 42 HG22 VAL 42 -33.137 34.345 21.630 1057 HG23 VAL 42 HG23 VAL 42 -33.575 33.080 20.482 1058 H GLY 43 H GLY 43 -36.281 31.344 23.347 1059 HA2 GLY 43 HA2 GLY 43 -35.717 30.019 25.743 1060 HA3 GLY 43 HA3 GLY 43 -37.334 30.329 25.121 1061 H HIS 44 H HIS 44 -36.614 28.717 22.637 1062 HA HIS 44 HA HIS 44 -37.672 26.256 23.620 1063 HB2 HIS 44 HB2 HIS 44 -38.296 27.143 21.427 1064 HB3 HIS 44 HB3 HIS 44 -36.627 26.990 20.876 1065 HD1 HIS 44 HD1 HIS 44 -36.221 24.901 19.599 1066 HD2 HIS 44 HD2 HIS 44 -39.227 24.378 22.440 1067 HE1 HIS 44 HE1 HIS 44 -37.026 22.514 19.356 1068 HE2 HIS 44 HE2 HIS 44 -38.860 22.178 21.080 1069 H ILE 45 H ILE 45 -34.454 27.331 22.713 1070 HA ILE 45 HA ILE 45 -33.275 24.819 22.305 1071 HB ILE 45 HB ILE 45 -32.301 27.190 21.918 1072 HG12 ILE 45 HG12 ILE 45 -30.569 24.983 23.065 1073 HG13 ILE 45 HG13 ILE 45 -31.104 25.113 21.390 1074 HG21 ILE 45 HG21 ILE 45 -31.112 28.250 23.627 1075 HG22 ILE 45 HG22 ILE 45 -30.987 26.784 24.600 1076 HG23 ILE 45 HG23 ILE 45 -32.517 27.643 24.499 1077 HD11 ILE 45 HD11 ILE 45 -29.221 26.943 22.889 1078 HD12 ILE 45 HD12 ILE 45 -29.978 27.415 21.368 1079 HD13 ILE 45 HD13 ILE 45 -28.899 26.022 21.420 1080 H SER 46 H SER 46 -34.465 26.274 25.139 1081 HA SER 46 HA SER 46 -32.852 25.144 27.133 1082 HB2 SER 46 HB2 SER 46 -34.812 25.448 28.609 1083 HB3 SER 46 HB3 SER 46 -34.536 26.867 27.601 1084 HG SER 46 HG SER 46 -36.757 25.702 27.802 1085 H HIS 47 H HIS 47 -35.675 23.852 25.426 1086 HA HIS 47 HA HIS 47 -36.118 21.525 26.873 1087 HB2 HIS 47 HB2 HIS 47 -37.510 22.333 24.963 1088 HB3 HIS 47 HB3 HIS 47 -36.246 21.792 23.860 1089 HD1 HIS 47 HD1 HIS 47 -38.351 20.309 26.682 1090 HD2 HIS 47 HD2 HIS 47 -36.595 19.168 23.077 1091 HE1 HIS 47 HE1 HIS 47 -39.058 17.914 26.270 1092 HE2 HIS 47 HE2 HIS 47 -37.994 17.201 24.078 1093 H GLN 48 H GLN 48 -33.519 22.355 24.726 1094 HA GLN 48 HA GLN 48 -32.524 19.619 24.511 1095 HB2 GLN 48 HB2 GLN 48 -31.269 22.218 23.597 1096 HB3 GLN 48 HB3 GLN 48 -30.780 20.590 23.129 1097 HG2 GLN 48 HG2 GLN 48 -33.539 21.733 22.614 1098 HG3 GLN 48 HG3 GLN 48 -32.236 21.746 21.428 1099 HE21 GLN 48 HE21 GLN 48 -34.577 20.324 20.806 1100 HE22 GLN 48 HE22 GLN 48 -34.261 18.657 20.861 1101 H LEU 49 H LEU 49 -31.380 22.719 25.848 1102 HA LEU 49 HA LEU 49 -29.813 21.245 27.889 1103 HB2 LEU 49 HB2 LEU 49 -28.862 23.708 26.409 1104 HB3 LEU 49 HB3 LEU 49 -27.970 22.791 27.616 1105 HG LEU 49 HG LEU 49 -28.938 21.580 25.012 1106 HD11 LEU 49 HD11 LEU 49 -26.267 22.846 25.675 1107 HD12 LEU 49 HD12 LEU 49 -27.426 23.403 24.468 1108 HD13 LEU 49 HD13 LEU 49 -26.585 21.870 24.240 1109 HD21 LEU 49 HD21 LEU 49 -27.009 19.994 25.566 1110 HD22 LEU 49 HD22 LEU 49 -28.424 19.875 26.607 1111 HD23 LEU 49 HD23 LEU 49 -26.985 20.729 27.167 1112 H ASN 50 H ASN 50 -32.098 21.924 28.770 1113 HA ASN 50 HA ASN 50 -32.810 24.506 29.385 1114 HB2 ASN 50 HB2 ASN 50 -34.132 22.436 29.888 1115 HB3 ASN 50 HB3 ASN 50 -33.081 22.161 31.275 1116 HD21 ASN 50 HD21 ASN 50 -33.930 22.988 33.184 1117 HD22 ASN 50 HD22 ASN 50 -34.964 24.329 33.291 1118 H LEU 51 H LEU 51 -30.862 25.702 29.734 1119 HA LEU 51 HA LEU 51 -29.976 25.656 32.550 1120 HB2 LEU 51 HB2 LEU 51 -28.128 26.083 30.188 1121 HB3 LEU 51 HB3 LEU 51 -27.680 26.088 31.889 1122 HG LEU 51 HG LEU 51 -28.905 23.683 30.511 1123 HD11 LEU 51 HD11 LEU 51 -26.503 22.826 30.571 1124 HD12 LEU 51 HD12 LEU 51 -26.015 24.495 30.860 1125 HD13 LEU 51 HD13 LEU 51 -26.847 24.066 29.366 1126 HD21 LEU 51 HD21 LEU 51 -29.122 23.508 32.889 1127 HD22 LEU 51 HD22 LEU 51 -27.497 24.140 33.156 1128 HD23 LEU 51 HD23 LEU 51 -27.718 22.534 32.463 1129 H SER 52 H SER 52 -28.136 27.831 32.076 1130 HA SER 52 HA SER 52 -29.905 30.034 32.286 1131 HB2 SER 52 HB2 SER 52 -27.740 31.372 31.974 1132 HB3 SER 52 HB3 SER 52 -27.792 30.258 33.338 1133 HG SER 52 HG SER 52 -26.912 29.231 30.917 1134 H GLN 53 H GLN 53 -30.853 31.237 30.764 1135 HA GLN 53 HA GLN 53 -30.623 30.562 28.008 1136 HB2 GLN 53 HB2 GLN 53 -31.923 32.972 29.303 1137 HB3 GLN 53 HB3 GLN 53 -32.178 32.432 27.645 1138 HG2 GLN 53 HG2 GLN 53 -34.003 31.527 28.866 1139 HG3 GLN 53 HG3 GLN 53 -32.886 30.179 28.660 1140 HE21 GLN 53 HE21 GLN 53 -33.100 28.998 30.588 1141 HE22 GLN 53 HE22 GLN 53 -32.947 29.669 32.139 1142 H SER 54 H SER 54 -29.785 33.562 29.763 1143 HA SER 54 HA SER 54 -28.698 35.064 27.772 1144 HB2 SER 54 HB2 SER 54 -27.508 36.248 29.418 1145 HB3 SER 54 HB3 SER 54 -28.852 35.538 30.310 1146 HG SER 54 HG SER 54 -27.375 33.763 30.771 1147 H ASN 55 H ASN 55 -27.417 32.119 29.075 1148 HA ASN 55 HA ASN 55 -24.716 32.369 28.323 1149 HB2 ASN 55 HB2 ASN 55 -25.720 30.570 29.782 1150 HB3 ASN 55 HB3 ASN 55 -26.328 29.812 28.312 1151 HD21 ASN 55 HD21 ASN 55 -24.438 29.609 26.538 1152 HD22 ASN 55 HD22 ASN 55 -22.966 29.017 27.144 1153 H VAL 56 H VAL 56 -27.542 31.170 26.543 1154 HA VAL 56 HA VAL 56 -26.033 30.488 24.196 1155 HB VAL 56 HB VAL 56 -29.012 30.962 24.401 1156 HG11 VAL 56 HG11 VAL 56 -28.113 30.744 22.121 1157 HG12 VAL 56 HG12 VAL 56 -29.057 29.317 22.548 1158 HG13 VAL 56 HG13 VAL 56 -27.295 29.250 22.577 1159 HG21 VAL 56 HG21 VAL 56 -29.127 28.502 24.852 1160 HG22 VAL 56 HG22 VAL 56 -28.355 29.402 26.158 1161 HG23 VAL 56 HG23 VAL 56 -27.371 28.487 25.016 1162 H SER 57 H SER 57 -27.862 33.282 25.299 1163 HA SER 57 HA SER 57 -28.120 34.681 22.896 1164 HB2 SER 57 HB2 SER 57 -29.180 35.334 25.052 1165 HB3 SER 57 HB3 SER 57 -27.601 35.856 25.639 1166 HG SER 57 HG SER 57 -29.045 37.478 24.605 1167 H HIS 58 H HIS 58 -25.394 34.456 25.129 1168 HA HIS 58 HA HIS 58 -23.814 36.410 23.692 1169 HB2 HIS 58 HB2 HIS 58 -23.564 36.011 26.143 1170 HB3 HIS 58 HB3 HIS 58 -22.931 34.405 25.782 1171 HD1 HIS 58 HD1 HIS 58 -20.596 34.272 24.608 1172 HD2 HIS 58 HD2 HIS 58 -21.771 38.145 25.610 1173 HE1 HIS 58 HE1 HIS 58 -18.547 35.732 24.344 1174 HE2 HIS 58 HE2 HIS 58 -19.244 38.097 24.946 1175 H GLN 59 H GLN 59 -23.275 32.947 24.379 1176 HA GLN 59 HA GLN 59 -21.231 32.445 22.625 1177 HB2 GLN 59 HB2 GLN 59 -22.316 30.832 24.261 1178 HB3 GLN 59 HB3 GLN 59 -23.536 30.533 23.022 1179 HG2 GLN 59 HG2 GLN 59 -21.859 28.842 22.740 1180 HG3 GLN 59 HG3 GLN 59 -21.620 30.002 21.434 1181 HE21 GLN 59 HE21 GLN 59 -20.557 29.783 24.889 1182 HE22 GLN 59 HE22 GLN 59 -18.936 30.162 24.554 1183 H LEU 60 H LEU 60 -24.695 32.590 21.889 1184 HA LEU 60 HA LEU 60 -24.496 31.692 19.215 1185 HB2 LEU 60 HB2 LEU 60 -26.617 31.721 20.442 1186 HB3 LEU 60 HB3 LEU 60 -26.554 33.478 20.544 1187 HG LEU 60 HG LEU 60 -26.712 33.652 18.102 1188 HD11 LEU 60 HD11 LEU 60 -25.660 31.759 17.200 1189 HD12 LEU 60 HD12 LEU 60 -27.358 31.402 16.919 1190 HD13 LEU 60 HD13 LEU 60 -26.516 30.647 18.269 1191 HD21 LEU 60 HD21 LEU 60 -28.809 31.770 19.218 1192 HD22 LEU 60 HD22 LEU 60 -29.015 32.902 17.883 1193 HD23 LEU 60 HD23 LEU 60 -28.761 33.506 19.520 1194 H LYS 61 H LYS 61 -24.190 34.856 20.724 1195 HA LYS 61 HA LYS 61 -24.347 36.449 18.410 1196 HB2 LYS 61 HB2 LYS 61 -24.371 37.208 20.841 1197 HB3 LYS 61 HB3 LYS 61 -22.614 37.053 20.808 1198 HG2 LYS 61 HG2 LYS 61 -22.707 38.543 18.701 1199 HG3 LYS 61 HG3 LYS 61 -24.361 38.907 19.182 1200 HD2 LYS 61 HD2 LYS 61 -21.910 39.308 20.924 1201 HD3 LYS 61 HD3 LYS 61 -22.741 40.588 20.041 1202 HE2 LYS 61 HE2 LYS 61 -23.809 38.923 22.332 1203 HE3 LYS 61 HE3 LYS 61 -23.588 40.669 22.275 1204 HZ1 LYS 61 HZ1 LYS 61 -25.190 40.347 20.201 1205 HZ2 LYS 61 HZ2 LYS 61 -25.769 40.605 21.777 1206 HZ3 LYS 61 HZ3 LYS 61 -25.707 39.031 21.141 1207 H LEU 62 H LEU 62 -21.755 34.509 19.723 1208 HA LEU 62 HA LEU 62 -19.604 35.707 18.325 1209 HB2 LEU 62 HB2 LEU 62 -19.157 34.240 20.183 1210 HB3 LEU 62 HB3 LEU 62 -19.998 32.906 19.401 1211 HG LEU 62 HG LEU 62 -18.294 32.761 17.680 1212 HD11 LEU 62 HD11 LEU 62 -16.225 34.297 17.993 1213 HD12 LEU 62 HD12 LEU 62 -17.301 35.321 18.942 1214 HD13 LEU 62 HD13 LEU 62 -17.656 34.998 17.244 1215 HD21 LEU 62 HD21 LEU 62 -16.398 32.098 19.044 1216 HD22 LEU 62 HD22 LEU 62 -17.883 31.683 19.900 1217 HD23 LEU 62 HD23 LEU 62 -16.958 33.106 20.378 1218 H LEU 63 H LEU 63 -21.691 32.922 17.549 1219 HA LEU 63 HA LEU 63 -20.478 32.260 15.093 1220 HB2 LEU 63 HB2 LEU 63 -23.255 31.849 16.201 1221 HB3 LEU 63 HB3 LEU 63 -22.825 31.302 14.581 1222 HG LEU 63 HG LEU 63 -20.987 29.955 15.512 1223 HD11 LEU 63 HD11 LEU 63 -20.292 31.119 17.448 1224 HD12 LEU 63 HD12 LEU 63 -21.058 29.666 18.085 1225 HD13 LEU 63 HD13 LEU 63 -21.931 31.198 18.097 1226 HD21 LEU 63 HD21 LEU 63 -23.195 28.918 15.269 1227 HD22 LEU 63 HD22 LEU 63 -23.666 29.508 16.864 1228 HD23 LEU 63 HD23 LEU 63 -22.394 28.296 16.712 1229 H LYS 64 H LYS 64 -22.917 34.635 15.952 1230 HA LYS 64 HA LYS 64 -23.547 35.332 13.221 1231 HB2 LYS 64 HB2 LYS 64 -25.155 35.582 15.122 1232 HB3 LYS 64 HB3 LYS 64 -24.130 36.863 15.767 1233 HG2 LYS 64 HG2 LYS 64 -24.527 38.266 13.877 1234 HG3 LYS 64 HG3 LYS 64 -25.232 36.940 12.951 1235 HD2 LYS 64 HD2 LYS 64 -27.102 36.823 14.577 1236 HD3 LYS 64 HD3 LYS 64 -26.404 38.182 15.459 1237 HE2 LYS 64 HE2 LYS 64 -27.104 38.346 12.520 1238 HE3 LYS 64 HE3 LYS 64 -28.254 38.763 13.792 1239 HZ1 LYS 64 HZ1 LYS 64 -27.204 40.668 14.213 1240 HZ2 LYS 64 HZ2 LYS 64 -26.437 40.448 12.713 1241 HZ3 LYS 64 HZ3 LYS 64 -25.664 39.957 14.144 1242 H SER 65 H SER 65 -20.975 35.963 15.293 1243 HA SER 65 HA SER 65 -20.417 38.671 14.702 1244 HB2 SER 65 HB2 SER 65 -19.426 37.261 16.573 1245 HB3 SER 65 HB3 SER 65 -18.357 36.565 15.355 1246 HG SER 65 HG SER 65 -17.477 38.413 16.447 1247 H VAL 66 H VAL 66 -18.762 35.750 13.441 1248 HA VAL 66 HA VAL 66 -17.282 37.198 11.527 1249 HB VAL 66 HB VAL 66 -18.017 34.260 11.525 1250 HG11 VAL 66 HG11 VAL 66 -15.811 34.136 10.251 1251 HG12 VAL 66 HG12 VAL 66 -15.917 35.887 10.075 1252 HG13 VAL 66 HG13 VAL 66 -17.159 34.854 9.369 1253 HG21 VAL 66 HG21 VAL 66 -16.913 35.033 13.613 1254 HG22 VAL 66 HG22 VAL 66 -15.598 35.706 12.651 1255 HG23 VAL 66 HG23 VAL 66 -15.869 33.964 12.677 1256 H HIS 67 H HIS 67 -19.710 34.720 10.712 1257 HA HIS 67 HA HIS 67 -21.324 36.370 9.080 1258 HB2 HIS 67 HB2 HIS 67 -19.297 36.466 7.656 1259 HB3 HIS 67 HB3 HIS 67 -19.290 34.706 7.572 1260 HD1 HIS 67 HD1 HIS 67 -22.499 36.657 7.458 1261 HD2 HIS 67 HD2 HIS 67 -19.980 34.648 4.812 1262 HE1 HIS 67 HE1 HIS 67 -23.768 36.454 5.277 1263 HE2 HIS 67 HE2 HIS 67 -22.247 35.234 3.652 1264 H LEU 68 H LEU 68 -20.861 33.707 10.808 1265 HA LEU 68 HA LEU 68 -22.513 31.874 9.189 1266 HB2 LEU 68 HB2 LEU 68 -20.831 31.549 11.674 1267 HB3 LEU 68 HB3 LEU 68 -21.992 30.321 11.173 1268 HG LEU 68 HG LEU 68 -20.864 30.226 8.944 1269 HD11 LEU 68 HD11 LEU 68 -19.800 32.325 8.712 1270 HD12 LEU 68 HD12 LEU 68 -18.468 31.209 8.984 1271 HD13 LEU 68 HD13 LEU 68 -19.050 32.222 10.304 1272 HD21 LEU 68 HD21 LEU 68 -19.188 29.703 11.414 1273 HD22 LEU 68 HD22 LEU 68 -18.797 29.080 9.812 1274 HD23 LEU 68 HD23 LEU 68 -20.282 28.574 10.617 1275 H VAL 69 H VAL 69 -24.556 31.286 9.795 1276 HA VAL 69 HA VAL 69 -26.574 31.345 10.845 1277 HB VAL 69 HB VAL 69 -25.192 32.440 13.297 1278 HG11 VAL 69 HG11 VAL 69 -27.640 32.497 13.314 1279 HG12 VAL 69 HG12 VAL 69 -27.060 31.255 14.424 1280 HG13 VAL 69 HG13 VAL 69 -27.699 30.798 12.844 1281 HG21 VAL 69 HG21 VAL 69 -23.997 30.420 12.563 1282 HG22 VAL 69 HG22 VAL 69 -25.528 29.561 12.397 1283 HG23 VAL 69 HG23 VAL 69 -24.967 30.064 13.991 1284 H LYS 70 H LYS 70 -28.239 32.819 11.278 1285 HA LYS 70 HA LYS 70 -27.628 35.681 11.374 1286 HB2 LYS 70 HB2 LYS 70 -29.057 34.340 9.070 1287 HB3 LYS 70 HB3 LYS 70 -29.170 36.067 9.407 1288 HG2 LYS 70 HG2 LYS 70 -26.659 36.181 9.294 1289 HG3 LYS 70 HG3 LYS 70 -26.658 34.499 8.765 1290 HD2 LYS 70 HD2 LYS 70 -28.075 35.108 6.833 1291 HD3 LYS 70 HD3 LYS 70 -28.056 36.793 7.356 1292 HE2 LYS 70 HE2 LYS 70 -25.559 35.196 6.719 1293 HE3 LYS 70 HE3 LYS 70 -26.365 36.258 5.563 1294 HZ1 LYS 70 HZ1 LYS 70 -25.929 37.532 8.083 1295 HZ2 LYS 70 HZ2 LYS 70 -25.496 38.045 6.522 1296 HZ3 LYS 70 HZ3 LYS 70 -24.475 36.999 7.388 1297 H ALA 71 H ALA 71 -29.834 36.906 11.303 1298 HA ALA 71 HA ALA 71 -32.052 35.397 12.470 1299 HB1 ALA 71 HB1 ALA 71 -30.758 37.670 13.993 1300 HB2 ALA 71 HB2 ALA 71 -30.518 35.964 14.371 1301 HB3 ALA 71 HB3 ALA 71 -32.123 36.681 14.511 1302 H LYS 72 H LYS 72 -33.755 36.089 11.407 1303 HA LYS 72 HA LYS 72 -33.975 38.951 10.625 1304 HB2 LYS 72 HB2 LYS 72 -35.447 36.603 9.421 1305 HB3 LYS 72 HB3 LYS 72 -35.351 38.251 8.800 1306 HG2 LYS 72 HG2 LYS 72 -32.800 37.869 8.692 1307 HG3 LYS 72 HG3 LYS 72 -33.171 36.159 8.902 1308 HD2 LYS 72 HD2 LYS 72 -34.275 37.939 6.704 1309 HD3 LYS 72 HD3 LYS 72 -32.971 36.771 6.505 1310 HE2 LYS 72 HE2 LYS 72 -35.873 36.218 7.152 1311 HE3 LYS 72 HE3 LYS 72 -34.947 35.662 5.760 1312 HZ1 LYS 72 HZ1 LYS 72 -34.658 33.827 6.972 1313 HZ2 LYS 72 HZ2 LYS 72 -35.074 34.589 8.433 1314 HZ3 LYS 72 HZ3 LYS 72 -33.496 34.728 7.820 1315 H ARG 73 H ARG 73 -35.403 40.071 11.768 1316 HA ARG 73 HA ARG 73 -36.889 39.018 13.825 1317 HB2 ARG 73 HB2 ARG 73 -37.991 41.180 13.977 1318 HB3 ARG 73 HB3 ARG 73 -36.291 41.414 13.573 1319 HG2 ARG 73 HG2 ARG 73 -37.021 41.475 11.126 1320 HG3 ARG 73 HG3 ARG 73 -38.678 41.581 11.721 1321 HD2 ARG 73 HD2 ARG 73 -38.110 43.611 12.985 1322 HD3 ARG 73 HD3 ARG 73 -36.440 43.499 12.434 1323 HE ARG 73 HE ARG 73 -38.324 43.583 10.258 1324 HH11 ARG 73 HH21 ARG 73 -36.551 45.421 12.591 1325 HH12 ARG 73 HH22 ARG 73 -36.534 46.870 11.644 1326 HH21 ARG 73 HH11 ARG 73 -38.312 45.481 9.009 1327 HH22 ARG 73 HH12 ARG 73 -37.529 46.903 9.613 1328 H GLN 74 H GLN 74 -38.805 38.167 14.101 1329 HA GLN 74 HA GLN 74 -40.948 38.422 12.158 1330 HB2 GLN 74 HB2 GLN 74 -39.495 36.502 11.342 1331 HB3 GLN 74 HB3 GLN 74 -39.950 35.646 12.815 1332 HG2 GLN 74 HG2 GLN 74 -41.516 34.940 11.161 1333 HG3 GLN 74 HG3 GLN 74 -42.380 36.106 12.161 1334 HE21 GLN 74 HE21 GLN 74 -40.487 35.913 9.104 1335 HE22 GLN 74 HE22 GLN 74 -41.333 37.166 8.331 1336 H GLY 75 H GLY 75 -42.923 38.210 13.109 1337 HA2 GLY 75 HA2 GLY 75 -44.467 38.084 14.812 1338 HA3 GLY 75 HA3 GLY 75 -43.573 36.663 15.340 1339 H GLN 76 H GLN 76 -43.578 37.006 17.519 1340 HA GLN 76 HA GLN 76 -42.620 39.585 18.593 1341 HB2 GLN 76 HB2 GLN 76 -43.828 37.226 20.052 1342 HB3 GLN 76 HB3 GLN 76 -43.539 38.843 20.696 1343 HG2 GLN 76 HG2 GLN 76 -45.139 39.799 19.121 1344 HG3 GLN 76 HG3 GLN 76 -45.372 38.226 18.361 1345 HE21 GLN 76 HE21 GLN 76 -44.995 37.467 21.545 1346 HE22 GLN 76 HE22 GLN 76 -46.614 37.519 22.050 1347 H SER 77 H SER 77 -40.933 37.360 17.356 1348 HA SER 77 HA SER 77 -38.897 37.332 19.461 1349 HB2 SER 77 HB2 SER 77 -38.656 34.978 19.554 1350 HB3 SER 77 HB3 SER 77 -40.388 35.265 19.707 1351 HG SER 77 HG SER 77 -40.013 35.135 17.170 1352 H MET 78 H MET 78 -36.865 36.271 18.634 1353 HA MET 78 HA MET 78 -36.390 37.103 15.831 1354 HB2 MET 78 HB2 MET 78 -34.466 36.667 18.128 1355 HB3 MET 78 HB3 MET 78 -34.018 37.179 16.501 1356 HG2 MET 78 HG2 MET 78 -35.572 39.149 16.786 1357 HG3 MET 78 HG3 MET 78 -35.764 38.676 18.474 1358 HE1 MET 78 HE1 MET 78 -33.449 39.328 15.651 1359 HE2 MET 78 HE2 MET 78 -32.097 40.258 16.293 1360 HE3 MET 78 HE3 MET 78 -33.692 40.998 16.165 1361 H ILE 79 H ILE 79 -36.772 35.358 14.569 1362 HA ILE 79 HA ILE 79 -36.061 32.682 15.387 1363 HB ILE 79 HB ILE 79 -37.165 33.873 12.840 1364 HG12 ILE 79 HG12 ILE 79 -39.148 32.583 13.465 1365 HG13 ILE 79 HG13 ILE 79 -38.295 31.899 14.846 1366 HG21 ILE 79 HG21 ILE 79 -35.833 32.037 12.065 1367 HG22 ILE 79 HG22 ILE 79 -37.488 31.434 12.161 1368 HG23 ILE 79 HG23 ILE 79 -36.325 31.023 13.421 1369 HD11 ILE 79 HD11 ILE 79 -38.299 33.934 16.016 1370 HD12 ILE 79 HD12 ILE 79 -39.878 33.928 15.238 1371 HD13 ILE 79 HD13 ILE 79 -38.569 34.888 14.555 1372 H TYR 80 H TYR 80 -34.233 31.620 14.984 1373 HA TYR 80 HA TYR 80 -32.118 32.940 13.376 1374 HB2 TYR 80 HB2 TYR 80 -31.946 30.873 15.583 1375 HB3 TYR 80 HB3 TYR 80 -30.572 31.502 14.673 1376 HD1 TYR 80 HD2 TYR 80 -33.309 32.418 17.012 1377 HD2 TYR 80 HD1 TYR 80 -29.652 33.665 15.136 1378 HE1 TYR 80 HE2 TYR 80 -33.183 34.361 18.548 1379 HE2 TYR 80 HE1 TYR 80 -29.520 35.602 16.678 1380 HH TYR 80 HH TYR 80 -30.565 36.018 19.198 1381 H SER 81 H SER 81 -31.162 31.869 11.714 1382 HA SER 81 HA SER 81 -31.748 29.034 11.227 1383 HB2 SER 81 HB2 SER 81 -33.583 30.347 10.146 1384 HB3 SER 81 HB3 SER 81 -32.364 31.178 9.181 1385 HG SER 81 HG SER 81 -33.413 29.222 8.267 1386 H LEU 82 H LEU 82 -30.613 28.377 9.094 1387 HA LEU 82 HA LEU 82 -27.842 28.960 9.418 1388 HB2 LEU 82 HB2 LEU 82 -29.055 27.622 7.001 1389 HB3 LEU 82 HB3 LEU 82 -27.466 27.360 7.720 1390 HG LEU 82 HG LEU 82 -30.139 26.635 8.957 1391 HD11 LEU 82 HD11 LEU 82 -27.853 24.817 8.175 1392 HD12 LEU 82 HD12 LEU 82 -29.169 25.201 7.066 1393 HD13 LEU 82 HD13 LEU 82 -29.509 24.367 8.581 1394 HD21 LEU 82 HD21 LEU 82 -28.569 25.508 10.662 1395 HD22 LEU 82 HD22 LEU 82 -28.731 27.260 10.766 1396 HD23 LEU 82 HD23 LEU 82 -27.306 26.550 10.009 1397 H ASP 83 H ASP 83 -26.575 29.332 7.212 1398 HA ASP 83 HA ASP 83 -27.260 32.025 6.389 1399 HB2 ASP 83 HB2 ASP 83 -24.967 30.183 5.683 1400 HB3 ASP 83 HB3 ASP 83 -25.136 31.823 5.060 1401 H ASP 84 H ASP 84 -26.783 28.886 4.755 1402 HA ASP 84 HA ASP 84 -28.846 29.523 2.822 1403 HB2 ASP 84 HB2 ASP 84 -25.953 29.248 1.974 1404 HB3 ASP 84 HB3 ASP 84 -27.326 29.204 0.870 1405 H ILE 85 H ILE 85 -25.999 27.406 2.593 1406 HA ILE 85 HA ILE 85 -27.544 25.040 3.273 1407 HB ILE 85 HB ILE 85 -27.035 23.963 1.049 1408 HG12 ILE 85 HG12 ILE 85 -26.485 26.835 0.245 1409 HG13 ILE 85 HG13 ILE 85 -25.269 25.564 0.375 1410 HG21 ILE 85 HG21 ILE 85 -29.276 25.049 1.709 1411 HG22 ILE 85 HG22 ILE 85 -28.983 24.807 -0.011 1412 HG23 ILE 85 HG23 ILE 85 -28.780 26.406 0.697 1413 HD11 ILE 85 HD11 ILE 85 -26.615 24.237 -1.309 1414 HD12 ILE 85 HD12 ILE 85 -25.897 25.717 -1.947 1415 HD13 ILE 85 HD13 ILE 85 -27.614 25.673 -1.541 1416 H HIS 86 H HIS 86 -24.619 26.708 2.728 1417 HA HIS 86 HA HIS 86 -22.777 24.649 2.398 1418 HB2 HIS 86 HB2 HIS 86 -22.289 27.147 4.029 1419 HB3 HIS 86 HB3 HIS 86 -21.109 26.205 3.118 1420 HD1 HIS 86 HD1 HIS 86 -22.554 29.296 2.782 1421 HD2 HIS 86 HD2 HIS 86 -22.529 26.017 0.209 1422 HE1 HIS 86 HE1 HIS 86 -23.047 30.199 0.470 1423 HE2 HIS 86 HE2 HIS 86 -23.025 28.214 -1.113 1424 H VAL 87 H VAL 87 -22.954 26.363 5.503 1425 HA VAL 87 HA VAL 87 -21.659 24.584 7.037 1426 HB VAL 87 HB VAL 87 -23.053 25.386 8.976 1427 HG11 VAL 87 HG11 VAL 87 -21.103 26.655 8.189 1428 HG12 VAL 87 HG12 VAL 87 -22.383 27.759 8.693 1429 HG13 VAL 87 HG13 VAL 87 -22.099 27.461 6.978 1430 HG21 VAL 87 HG21 VAL 87 -25.189 25.545 7.708 1431 HG22 VAL 87 HG22 VAL 87 -24.514 26.882 6.778 1432 HG23 VAL 87 HG23 VAL 87 -24.783 27.062 8.511 1433 H ALA 88 H ALA 88 -24.932 24.175 5.866 1434 HA ALA 88 HA ALA 88 -25.731 22.127 7.660 1435 HB1 ALA 88 HB1 ALA 88 -26.630 22.561 4.802 1436 HB2 ALA 88 HB2 ALA 88 -27.290 23.409 6.201 1437 HB3 ALA 88 HB3 ALA 88 -27.493 21.662 6.051 1438 H THR 89 H THR 89 -24.403 21.982 4.358 1439 HA THR 89 HA THR 89 -24.296 19.159 4.212 1440 HB THR 89 HB THR 89 -22.625 21.204 2.730 1441 HG1 THR 89 HG1 THR 89 -25.167 20.055 2.263 1442 HG21 THR 89 HG21 THR 89 -23.221 18.272 2.303 1443 HG22 THR 89 HG22 THR 89 -21.648 19.067 2.382 1444 HG23 THR 89 HG23 THR 89 -22.695 19.319 0.985 1445 H MET 90 H MET 90 -21.839 21.584 5.065 1446 HA MET 90 HA MET 90 -19.558 20.141 5.253 1447 HB2 MET 90 HB2 MET 90 -20.637 22.178 7.206 1448 HB3 MET 90 HB3 MET 90 -18.990 21.553 7.275 1449 HG2 MET 90 HG2 MET 90 -18.663 22.286 4.905 1450 HG3 MET 90 HG3 MET 90 -20.269 23.014 4.945 1451 HE1 MET 90 HE1 MET 90 -19.055 25.385 4.238 1452 HE2 MET 90 HE2 MET 90 -17.626 24.355 4.178 1453 HE3 MET 90 HE3 MET 90 -17.564 25.897 5.032 1454 H LEU 91 H LEU 91 -21.919 20.364 7.927 1455 HA LEU 91 HA LEU 91 -20.690 18.602 9.686 1456 HB2 LEU 91 HB2 LEU 91 -23.675 18.870 9.270 1457 HB3 LEU 91 HB3 LEU 91 -22.861 18.332 10.735 1458 HG LEU 91 HG LEU 91 -22.455 21.071 9.499 1459 HD11 LEU 91 HD11 LEU 91 -23.918 21.828 11.424 1460 HD12 LEU 91 HD12 LEU 91 -24.350 20.136 11.666 1461 HD13 LEU 91 HD13 LEU 91 -24.764 20.943 10.155 1462 HD21 LEU 91 HD21 LEU 91 -21.640 19.770 12.105 1463 HD22 LEU 91 HD22 LEU 91 -21.712 21.522 11.928 1464 HD23 LEU 91 HD23 LEU 91 -20.618 20.583 10.919 1465 H LYS 92 H LYS 92 -23.314 17.803 7.396 1466 HA LYS 92 HA LYS 92 -23.158 15.011 7.873 1467 HB2 LYS 92 HB2 LYS 92 -24.251 16.366 5.402 1468 HB3 LYS 92 HB3 LYS 92 -24.696 14.784 6.040 1469 HG2 LYS 92 HG2 LYS 92 -25.401 16.035 8.177 1470 HG3 LYS 92 HG3 LYS 92 -25.283 17.506 7.214 1471 HD2 LYS 92 HD2 LYS 92 -27.069 15.117 6.685 1472 HD3 LYS 92 HD3 LYS 92 -27.578 16.739 7.143 1473 HE2 LYS 92 HE2 LYS 92 -27.914 16.766 4.827 1474 HE3 LYS 92 HE3 LYS 92 -26.300 17.460 4.951 1475 HZ1 LYS 92 HZ1 LYS 92 -26.594 14.546 4.719 1476 HZ2 LYS 92 HZ2 LYS 92 -25.323 15.546 4.201 1477 HZ3 LYS 92 HZ3 LYS 92 -26.779 15.503 3.329 1478 H GLN 93 H GLN 93 -21.152 17.091 6.084 1479 HA GLN 93 HA GLN 93 -20.316 15.117 4.117 1480 HB2 GLN 93 HB2 GLN 93 -20.381 17.645 3.749 1481 HB3 GLN 93 HB3 GLN 93 -18.946 17.727 4.770 1482 HG2 GLN 93 HG2 GLN 93 -18.154 17.591 2.516 1483 HG3 GLN 93 HG3 GLN 93 -17.899 15.997 3.222 1484 HE21 GLN 93 HE21 GLN 93 -20.173 17.834 1.140 1485 HE22 GLN 93 HE22 GLN 93 -20.762 16.469 0.321 1486 H ALA 94 H ALA 94 -19.362 16.202 7.280 1487 HA ALA 94 HA ALA 94 -16.665 15.267 7.170 1488 HB1 ALA 94 HB1 ALA 94 -18.429 15.774 9.578 1489 HB2 ALA 94 HB2 ALA 94 -17.431 16.985 8.774 1490 HB3 ALA 94 HB3 ALA 94 -16.673 15.618 9.590 1491 H ILE 95 H ILE 95 -19.374 14.023 9.143 1492 HA ILE 95 HA ILE 95 -18.135 11.598 9.780 1493 HB ILE 95 HB ILE 95 -20.501 10.807 10.255 1494 HG12 ILE 95 HG12 ILE 95 -21.128 13.631 9.336 1495 HG13 ILE 95 HG13 ILE 95 -21.611 12.153 8.504 1496 HG21 ILE 95 HG21 ILE 95 -20.752 12.308 12.154 1497 HG22 ILE 95 HG22 ILE 95 -19.757 13.530 11.364 1498 HG23 ILE 95 HG23 ILE 95 -19.034 12.012 11.897 1499 HD11 ILE 95 HD11 ILE 95 -22.475 13.073 11.258 1500 HD12 ILE 95 HD12 ILE 95 -22.807 11.462 10.622 1501 HD13 ILE 95 HD13 ILE 95 -23.491 12.882 9.829 1502 H HIS 96 H HIS 96 -19.606 12.612 6.841 1503 HA HIS 96 HA HIS 96 -20.272 10.022 5.821 1504 HB2 HIS 96 HB2 HIS 96 -21.272 12.009 4.839 1505 HB3 HIS 96 HB3 HIS 96 -19.682 12.630 4.398 1506 HD1 HIS 96 HD1 HIS 96 -22.145 9.908 3.521 1507 HD2 HIS 96 HD2 HIS 96 -18.563 11.475 2.076 1508 HE1 HIS 96 HE1 HIS 96 -21.776 8.867 1.243 1509 HE2 HIS 96 HE2 HIS 96 -19.597 9.810 0.347 1510 H HIS 97 H HIS 97 -17.419 12.118 5.622 1511 HA HIS 97 HA HIS 97 -15.896 10.736 3.770 1512 HB2 HIS 97 HB2 HIS 97 -15.199 12.869 4.792 1513 HB3 HIS 97 HB3 HIS 97 -14.919 12.042 6.323 1514 HD1 HIS 97 HD1 HIS 97 -13.717 11.908 2.709 1515 HD2 HIS 97 HD2 HIS 97 -12.384 10.927 6.535 1516 HE1 HIS 97 HE1 HIS 97 -11.309 11.175 2.460 1517 HE2 HIS 97 HE2 HIS 97 -10.477 10.576 4.783 1518 H ALA 98 H ALA 98 -16.067 10.179 7.289 1519 HA ALA 98 HA ALA 98 -14.274 8.066 7.472 1520 HB1 ALA 98 HB1 ALA 98 -16.838 8.509 9.022 1521 HB2 ALA 98 HB2 ALA 98 -15.239 9.117 9.448 1522 HB3 ALA 98 HB3 ALA 98 -15.562 7.384 9.485 1523 H ASN 99 H ASN 99 -17.829 7.723 7.300 1524 HA ASN 99 HA ASN 99 -17.770 4.949 6.744 1525 HB2 ASN 99 HB2 ASN 99 -19.752 6.206 7.619 1526 HB3 ASN 99 HB3 ASN 99 -19.948 6.924 6.021 1527 HD21 ASN 99 HD21 ASN 99 -18.939 3.555 6.664 1528 HD22 ASN 99 HD22 ASN 99 -20.307 2.845 5.952 1529 H HIS 100 H HIS 100 -19.004 4.182 4.648 1530 HA HIS 100 HA HIS 100 -18.255 5.613 2.235 1531 HB2 HIS 100 HB2 HIS 100 -16.939 3.023 3.072 1532 HB3 HIS 100 HB3 HIS 100 -17.028 3.517 1.383 1533 HD1 HIS 100 HD1 HIS 100 -16.601 6.594 1.869 1534 HD2 HIS 100 HD2 HIS 100 -14.210 3.576 3.470 1535 HE1 HIS 100 HE1 HIS 100 -14.367 7.658 2.401 1536 HE2 HIS 100 HE2 HIS 100 -12.891 5.830 3.362 1537 HA PRO 101 HA PRO 101 -21.874 3.357 0.990 1538 HB2 PRO 101 HB2 PRO 101 -21.794 3.579 -1.711 1539 HB3 PRO 101 HB3 PRO 101 -22.019 5.000 -0.671 1540 HG2 PRO 101 HG2 PRO 101 -19.504 3.983 -1.947 1541 HG3 PRO 101 HG3 PRO 101 -20.151 5.632 -1.924 1542 HD2 PRO 101 HD2 PRO 101 -18.213 4.795 -0.177 1543 HD3 PRO 101 HD3 PRO 101 -19.421 6.023 0.259 1544 H LYS 102 H LYS 102 -19.021 2.516 -1.001 1545 HA LYS 102 HA LYS 102 -19.337 -0.299 -0.406 1546 HB2 LYS 102 HB2 LYS 102 -20.988 0.080 -2.242 1547 HB3 LYS 102 HB3 LYS 102 -19.667 0.640 -3.267 1548 HG2 LYS 102 HG2 LYS 102 -18.601 -1.500 -3.224 1549 HG3 LYS 102 HG3 LYS 102 -19.640 -2.068 -1.917 1550 HD2 LYS 102 HD2 LYS 102 -21.602 -1.911 -3.418 1551 HD3 LYS 102 HD3 LYS 102 -20.550 -1.367 -4.725 1552 HE2 LYS 102 HE2 LYS 102 -19.224 -3.520 -4.377 1553 HE3 LYS 102 HE3 LYS 102 -20.549 -4.061 -3.346 1554 HZ1 LYS 102 HZ1 LYS 102 -20.430 -3.824 -6.215 1555 HZ2 LYS 102 HZ2 LYS 102 -21.840 -3.168 -5.533 1556 HZ3 LYS 102 HZ3 LYS 102 -21.433 -4.791 -5.245 1557 H GLU 103 H GLU 103 -17.590 -1.595 -1.307 1558 HA GLU 103 HA GLU 103 -15.071 -0.448 -1.018 1559 HB2 GLU 103 HB2 GLU 103 -15.855 -2.924 -2.578 1560 HB3 GLU 103 HB3 GLU 103 -14.209 -2.511 -2.094 1561 HG2 GLU 103 HG2 GLU 103 -14.829 -2.600 0.258 1562 HG3 GLU 103 HG3 GLU 103 -16.522 -2.859 -0.164 Start of MODEL 12 1 H ASN 9 H ASN 9 -22.751 5.129 18.284 2 HA ASN 9 HA ASN 9 -22.805 6.893 16.967 3 HB2 ASN 9 HB2 ASN 9 -24.923 8.239 17.064 4 HB3 ASN 9 HB3 ASN 9 -25.194 6.497 17.067 5 HD21 ASN 9 HD21 ASN 9 -26.413 5.665 18.789 6 HD22 ASN 9 HD22 ASN 9 -26.815 6.540 20.186 7 H THR 10 H THR 10 -22.206 7.284 20.177 8 HA THR 10 HA THR 10 -22.168 10.160 20.351 9 HB THR 10 HB THR 10 -21.013 9.783 22.486 10 HG1 THR 10 HG1 THR 10 -20.562 7.612 23.066 11 HG21 THR 10 HG21 THR 10 -22.787 8.601 23.600 12 HG22 THR 10 HG22 THR 10 -23.197 7.715 22.130 13 HG23 THR 10 HG23 THR 10 -23.515 9.447 22.234 14 H ASP 11 H ASP 11 -20.098 7.751 19.065 15 HA ASP 11 HA ASP 11 -17.593 9.058 19.389 16 HB2 ASP 11 HB2 ASP 11 -16.901 7.562 17.474 17 HB3 ASP 11 HB3 ASP 11 -17.600 6.722 18.858 18 H THR 12 H THR 12 -20.261 9.522 17.243 19 HA THR 12 HA THR 12 -19.000 10.699 15.036 20 HB THR 12 HB THR 12 -21.190 11.833 14.669 21 HG1 THR 12 HG1 THR 12 -21.480 10.999 17.313 22 HG21 THR 12 HG21 THR 12 -22.427 9.804 14.310 23 HG22 THR 12 HG22 THR 12 -21.539 8.968 15.584 24 HG23 THR 12 HG23 THR 12 -20.723 9.406 14.083 25 H LEU 13 H LEU 13 -20.058 12.108 18.111 26 HA LEU 13 HA LEU 13 -19.385 14.789 17.377 27 HB2 LEU 13 HB2 LEU 13 -20.975 13.817 19.265 28 HB3 LEU 13 HB3 LEU 13 -19.521 13.877 20.241 29 HG LEU 13 HG LEU 13 -20.668 15.935 20.594 30 HD11 LEU 13 HD11 LEU 13 -18.155 15.975 20.155 31 HD12 LEU 13 HD12 LEU 13 -18.999 17.515 20.021 32 HD13 LEU 13 HD13 LEU 13 -18.548 16.633 18.565 33 HD21 LEU 13 HD21 LEU 13 -21.927 15.686 18.281 34 HD22 LEU 13 HD22 LEU 13 -20.629 16.721 17.692 35 HD23 LEU 13 HD23 LEU 13 -21.670 17.270 18.998 36 H GLU 14 H GLU 14 -17.828 12.326 19.421 37 HA GLU 14 HA GLU 14 -15.516 13.861 20.025 38 HB2 GLU 14 HB2 GLU 14 -16.115 11.922 21.365 39 HB3 GLU 14 HB3 GLU 14 -15.939 10.863 19.967 40 HG2 GLU 14 HG2 GLU 14 -13.579 11.239 19.865 41 HG3 GLU 14 HG3 GLU 14 -13.676 12.583 21.000 42 H ARG 15 H ARG 15 -16.548 12.279 17.185 43 HA ARG 15 HA ARG 15 -13.913 11.769 16.107 44 HB2 ARG 15 HB2 ARG 15 -15.694 10.305 15.426 45 HB3 ARG 15 HB3 ARG 15 -16.695 11.663 14.925 46 HG2 ARG 15 HG2 ARG 15 -15.561 10.433 13.032 47 HG3 ARG 15 HG3 ARG 15 -15.232 12.162 13.078 48 HD2 ARG 15 HD2 ARG 15 -13.228 10.581 12.708 49 HD3 ARG 15 HD3 ARG 15 -13.050 11.838 13.930 50 HE ARG 15 HE ARG 15 -13.979 9.735 15.372 51 HH11 ARG 15 HH21 ARG 15 -11.440 10.141 13.057 52 HH12 ARG 15 HH22 ARG 15 -10.423 8.922 13.753 53 HH21 ARG 15 HH11 ARG 15 -12.654 8.135 16.289 54 HH22 ARG 15 HH12 ARG 15 -11.108 7.792 15.586 55 H VAL 16 H VAL 16 -16.583 13.719 14.783 56 HA VAL 16 HA VAL 16 -15.293 15.204 12.942 57 HB VAL 16 HB VAL 16 -16.918 17.035 13.408 58 HG11 VAL 16 HG11 VAL 16 -17.632 15.146 12.055 59 HG12 VAL 16 HG12 VAL 16 -18.954 15.594 13.132 60 HG13 VAL 16 HG13 VAL 16 -17.955 14.188 13.499 61 HG21 VAL 16 HG21 VAL 16 -18.529 16.697 15.260 62 HG22 VAL 16 HG22 VAL 16 -16.884 16.890 15.868 63 HG23 VAL 16 HG23 VAL 16 -17.613 15.286 15.789 64 H THR 17 H THR 17 -15.017 15.595 16.410 65 HA THR 17 HA THR 17 -13.843 18.170 16.430 66 HB THR 17 HB THR 17 -12.963 17.428 18.691 67 HG1 THR 17 HG1 THR 17 -13.452 15.422 19.365 68 HG21 THR 17 HG21 THR 17 -15.095 18.552 18.554 69 HG22 THR 17 HG22 THR 17 -15.288 17.180 19.644 70 HG23 THR 17 HG23 THR 17 -15.891 17.083 17.989 71 H GLU 18 H GLU 18 -12.370 14.928 16.574 72 HA GLU 18 HA GLU 18 -9.703 15.759 16.687 73 HB2 GLU 18 HB2 GLU 18 -10.951 13.237 15.581 74 HB3 GLU 18 HB3 GLU 18 -9.211 13.461 15.760 75 HG2 GLU 18 HG2 GLU 18 -9.398 13.703 18.137 76 HG3 GLU 18 HG3 GLU 18 -11.153 13.842 18.049 77 H ILE 19 H ILE 19 -11.903 15.609 13.994 78 HA ILE 19 HA ILE 19 -9.968 15.532 11.913 79 HB ILE 19 HB ILE 19 -12.707 16.791 11.746 80 HG12 ILE 19 HG12 ILE 19 -13.024 14.640 12.792 81 HG13 ILE 19 HG13 ILE 19 -13.460 14.476 11.093 82 HG21 ILE 19 HG21 ILE 19 -12.553 15.913 9.412 83 HG22 ILE 19 HG22 ILE 19 -10.905 15.388 9.754 84 HG23 ILE 19 HG23 ILE 19 -11.306 17.104 9.780 85 HD11 ILE 19 HD11 ILE 19 -10.979 13.497 12.501 86 HD12 ILE 19 HD12 ILE 19 -11.003 13.710 10.751 87 HD13 ILE 19 HD13 ILE 19 -12.118 12.580 11.517 88 H PHE 20 H PHE 20 -11.995 18.303 12.939 89 HA PHE 20 HA PHE 20 -10.684 20.270 11.518 90 HB2 PHE 20 HB2 PHE 20 -11.658 20.776 14.325 91 HB3 PHE 20 HB3 PHE 20 -11.719 21.846 12.926 92 HD1 PHE 20 HD2 PHE 20 -12.890 20.507 10.778 93 HD2 PHE 20 HD1 PHE 20 -13.777 19.989 14.951 94 HE1 PHE 20 HE2 PHE 20 -15.139 19.649 10.195 95 HE2 PHE 20 HE1 PHE 20 -16.027 19.134 14.365 96 HZ PHE 20 HZ PHE 20 -16.711 18.965 11.987 97 H LYS 21 H LYS 21 -10.042 19.463 14.941 98 HA LYS 21 HA LYS 21 -7.937 21.078 15.483 99 HB2 LYS 21 HB2 LYS 21 -8.117 18.148 16.223 100 HB3 LYS 21 HB3 LYS 21 -7.117 19.346 17.034 101 HG2 LYS 21 HG2 LYS 21 -10.097 19.769 16.755 102 HG3 LYS 21 HG3 LYS 21 -9.456 18.759 18.046 103 HD2 LYS 21 HD2 LYS 21 -7.985 20.686 18.734 104 HD3 LYS 21 HD3 LYS 21 -8.832 21.684 17.552 105 HE2 LYS 21 HE2 LYS 21 -10.962 21.264 18.682 106 HE3 LYS 21 HE3 LYS 21 -10.163 20.189 19.829 107 HZ1 LYS 21 HZ1 LYS 21 -10.534 22.846 20.168 108 HZ2 LYS 21 HZ2 LYS 21 -8.926 22.773 19.627 109 HZ3 LYS 21 HZ3 LYS 21 -9.400 21.902 21.006 110 H ALA 22 H ALA 22 -7.761 18.035 13.659 111 HA ALA 22 HA ALA 22 -4.929 18.023 13.408 112 HB1 ALA 22 HB1 ALA 22 -7.092 16.709 11.749 113 HB2 ALA 22 HB2 ALA 22 -6.148 15.976 13.044 114 HB3 ALA 22 HB3 ALA 22 -5.369 16.418 11.526 115 H LEU 23 H LEU 23 -7.470 19.680 11.728 116 HA LEU 23 HA LEU 23 -5.893 20.328 9.399 117 HB2 LEU 23 HB2 LEU 23 -8.482 20.159 9.631 118 HB3 LEU 23 HB3 LEU 23 -8.379 21.787 10.280 119 HG LEU 23 HG LEU 23 -6.938 22.261 8.113 120 HD11 LEU 23 HD11 LEU 23 -7.791 20.913 6.178 121 HD12 LEU 23 HD12 LEU 23 -8.523 19.797 7.327 122 HD13 LEU 23 HD13 LEU 23 -6.771 19.986 7.274 123 HD21 LEU 23 HD21 LEU 23 -9.942 21.899 8.145 124 HD22 LEU 23 HD22 LEU 23 -9.076 22.707 6.838 125 HD23 LEU 23 HD23 LEU 23 -9.035 23.376 8.468 126 H GLY 24 H GLY 24 -5.791 21.339 12.554 127 HA2 GLY 24 HA2 GLY 24 -5.498 24.154 12.280 128 HA3 GLY 24 HA3 GLY 24 -4.951 23.184 13.643 129 H ASP 25 H ASP 25 -4.095 24.397 10.454 130 HA ASP 25 HA ASP 25 -1.388 24.811 11.152 131 HB2 ASP 25 HB2 ASP 25 -1.193 22.387 10.973 132 HB3 ASP 25 HB3 ASP 25 -1.918 22.424 9.368 133 H TYR 26 H TYR 26 -0.217 25.880 9.492 134 HA TYR 26 HA TYR 26 -1.950 27.167 7.507 135 HB2 TYR 26 HB2 TYR 26 0.882 27.730 8.410 136 HB3 TYR 26 HB3 TYR 26 0.026 28.655 7.178 137 HD1 TYR 26 HD1 TYR 26 -2.057 29.906 7.775 138 HD2 TYR 26 HD2 TYR 26 0.402 28.013 10.744 139 HE1 TYR 26 HE1 TYR 26 -3.158 31.251 9.544 140 HE2 TYR 26 HE2 TYR 26 -0.698 29.358 12.513 141 HH TYR 26 HH TYR 26 -2.732 32.030 11.792 142 H ASN 27 H ASN 27 1.442 26.135 7.378 143 HA ASN 27 HA ASN 27 1.709 25.946 4.666 144 HB2 ASN 27 HB2 ASN 27 2.998 24.088 6.676 145 HB3 ASN 27 HB3 ASN 27 3.600 24.466 5.062 146 HD21 ASN 27 HD21 ASN 27 2.220 27.282 6.215 147 HD22 ASN 27 HD22 ASN 27 3.603 28.007 6.880 148 H ARG 28 H ARG 28 -0.139 23.860 6.674 149 HA ARG 28 HA ARG 28 -0.045 21.535 5.013 150 HB2 ARG 28 HB2 ARG 28 -0.705 21.430 7.392 151 HB3 ARG 28 HB3 ARG 28 -2.123 22.409 7.036 152 HG2 ARG 28 HG2 ARG 28 -2.692 20.014 7.156 153 HG3 ARG 28 HG3 ARG 28 -2.993 20.662 5.548 154 HD2 ARG 28 HD2 ARG 28 -1.713 18.370 5.819 155 HD3 ARG 28 HD3 ARG 28 -1.180 19.528 4.607 156 HE ARG 28 HE ARG 28 0.781 19.776 5.805 157 HH11 ARG 28 HH21 ARG 28 -1.708 18.432 7.797 158 HH12 ARG 28 HH22 ARG 28 -0.669 18.170 9.157 159 HH21 ARG 28 HH11 ARG 28 2.152 19.428 7.583 160 HH22 ARG 28 HH12 ARG 28 1.518 18.727 9.034 161 H ILE 29 H ILE 29 -2.039 24.418 5.167 162 HA ILE 29 HA ILE 29 -4.093 23.528 3.415 163 HB ILE 29 HB ILE 29 -3.207 26.388 3.798 164 HG12 ILE 29 HG12 ILE 29 -3.382 25.474 6.018 165 HG13 ILE 29 HG13 ILE 29 -4.857 26.386 5.709 166 HG21 ILE 29 HG21 ILE 29 -5.665 26.775 3.517 167 HG22 ILE 29 HG22 ILE 29 -5.860 25.054 3.186 168 HG23 ILE 29 HG23 ILE 29 -4.907 26.061 2.095 169 HD11 ILE 29 HD11 ILE 29 -5.619 24.357 6.659 170 HD12 ILE 29 HD12 ILE 29 -4.475 23.392 5.727 171 HD13 ILE 29 HD13 ILE 29 -5.860 24.134 4.927 172 H ARG 30 H ARG 30 -0.959 25.082 2.899 173 HA ARG 30 HA ARG 30 -1.419 25.654 0.133 174 HB2 ARG 30 HB2 ARG 30 0.276 26.768 1.703 175 HB3 ARG 30 HB3 ARG 30 1.263 25.330 1.479 176 HG2 ARG 30 HG2 ARG 30 2.103 26.700 -0.211 177 HG3 ARG 30 HG3 ARG 30 0.876 25.802 -1.095 178 HD2 ARG 30 HD2 ARG 30 0.786 28.240 -1.555 179 HD3 ARG 30 HD3 ARG 30 -0.707 27.653 -0.831 180 HE ARG 30 HE ARG 30 -0.255 28.957 1.038 181 HH11 ARG 30 HH21 ARG 30 2.547 28.614 -0.962 182 HH12 ARG 30 HH22 ARG 30 3.497 29.751 -0.066 183 HH21 ARG 30 HH11 ARG 30 0.985 30.449 2.220 184 HH22 ARG 30 HH12 ARG 30 2.610 30.796 1.731 185 H ILE 31 H ILE 31 -0.041 22.966 1.935 186 HA ILE 31 HA ILE 31 1.057 21.644 -0.363 187 HB ILE 31 HB ILE 31 0.417 20.639 2.420 188 HG12 ILE 31 HG12 ILE 31 3.118 21.228 1.191 189 HG13 ILE 31 HG13 ILE 31 2.199 22.464 2.045 190 HG21 ILE 31 HG21 ILE 31 2.067 18.811 1.733 191 HG22 ILE 31 HG22 ILE 31 1.825 19.352 0.072 192 HG23 ILE 31 HG23 ILE 31 0.465 18.718 0.999 193 HD11 ILE 31 HD11 ILE 31 2.192 21.150 4.075 194 HD12 ILE 31 HD12 ILE 31 3.855 21.234 3.495 195 HD13 ILE 31 HD13 ILE 31 2.904 19.770 3.240 196 H MET 32 H MET 32 -2.057 21.788 1.151 197 HA MET 32 HA MET 32 -3.065 19.365 -0.079 198 HB2 MET 32 HB2 MET 32 -3.876 20.380 2.124 199 HB3 MET 32 HB3 MET 32 -4.700 21.590 1.141 200 HG2 MET 32 HG2 MET 32 -6.309 19.868 1.531 201 HG3 MET 32 HG3 MET 32 -5.757 19.641 -0.128 202 HE1 MET 32 HE1 MET 32 -6.395 16.276 2.255 203 HE2 MET 32 HE2 MET 32 -7.240 17.333 1.126 204 HE3 MET 32 HE3 MET 32 -6.851 17.909 2.745 205 H GLU 33 H GLU 33 -3.140 22.833 -0.695 206 HA GLU 33 HA GLU 33 -5.090 22.817 -2.748 207 HB2 GLU 33 HB2 GLU 33 -4.316 24.867 -1.581 208 HB3 GLU 33 HB3 GLU 33 -2.753 24.710 -2.381 209 HG2 GLU 33 HG2 GLU 33 -3.811 24.932 -4.572 210 HG3 GLU 33 HG3 GLU 33 -5.407 24.975 -3.824 211 H LEU 34 H LEU 34 -1.641 22.174 -2.716 212 HA LEU 34 HA LEU 34 -1.276 22.313 -5.541 213 HB2 LEU 34 HB2 LEU 34 0.634 22.594 -4.113 214 HB3 LEU 34 HB3 LEU 34 0.345 21.048 -3.323 215 HG LEU 34 HG LEU 34 0.923 19.833 -5.327 216 HD11 LEU 34 HD11 LEU 34 0.854 22.571 -6.605 217 HD12 LEU 34 HD12 LEU 34 -0.006 21.111 -7.094 218 HD13 LEU 34 HD13 LEU 34 1.732 21.233 -7.347 219 HD21 LEU 34 HD21 LEU 34 3.258 20.675 -5.698 220 HD22 LEU 34 HD22 LEU 34 2.823 20.525 -3.996 221 HD23 LEU 34 HD23 LEU 34 2.839 22.112 -4.765 222 H LEU 35 H LEU 35 -1.189 19.473 -3.369 223 HA LEU 35 HA LEU 35 -1.172 17.471 -5.235 224 HB2 LEU 35 HB2 LEU 35 -2.806 17.451 -2.687 225 HB3 LEU 35 HB3 LEU 35 -2.243 16.036 -3.568 226 HG LEU 35 HG LEU 35 -0.362 18.142 -2.471 227 HD11 LEU 35 HD11 LEU 35 -1.564 17.229 -0.578 228 HD12 LEU 35 HD12 LEU 35 0.039 16.495 -0.616 229 HD13 LEU 35 HD13 LEU 35 -1.361 15.585 -1.186 230 HD21 LEU 35 HD21 LEU 35 -0.026 15.344 -3.572 231 HD22 LEU 35 HD22 LEU 35 1.205 16.099 -2.565 232 HD23 LEU 35 HD23 LEU 35 0.760 16.832 -4.101 233 H SER 36 H SER 36 -3.800 19.612 -4.481 234 HA SER 36 HA SER 36 -5.925 18.054 -5.538 235 HB2 SER 36 HB2 SER 36 -6.286 20.034 -4.104 236 HB3 SER 36 HB3 SER 36 -5.658 21.066 -5.387 237 HG SER 36 HG SER 36 -7.410 20.711 -6.568 238 H VAL 37 H VAL 37 -3.984 20.685 -6.969 239 HA VAL 37 HA VAL 37 -5.121 20.530 -9.551 240 HB VAL 37 HB VAL 37 -2.377 21.474 -8.680 241 HG11 VAL 37 HG11 VAL 37 -2.290 21.078 -11.039 242 HG12 VAL 37 HG12 VAL 37 -2.576 22.808 -10.847 243 HG13 VAL 37 HG13 VAL 37 -3.908 21.737 -11.277 244 HG21 VAL 37 HG21 VAL 37 -4.881 23.059 -9.314 245 HG22 VAL 37 HG22 VAL 37 -3.372 23.672 -8.640 246 HG23 VAL 37 HG23 VAL 37 -4.401 22.614 -7.676 247 H SER 38 H SER 38 -1.942 19.359 -8.445 248 HA SER 38 HA SER 38 -2.212 16.944 -10.083 249 HB2 SER 38 HB2 SER 38 -0.004 18.971 -10.515 250 HB3 SER 38 HB3 SER 38 -0.047 17.353 -11.216 251 HG SER 38 HG SER 38 -2.297 18.955 -11.538 252 H GLU 39 H GLU 39 -1.161 15.246 -9.250 253 HA GLU 39 HA GLU 39 0.071 15.503 -6.656 254 HB2 GLU 39 HB2 GLU 39 0.475 13.021 -6.946 255 HB3 GLU 39 HB3 GLU 39 -1.211 13.522 -7.000 256 HG2 GLU 39 HG2 GLU 39 0.396 13.309 -9.549 257 HG3 GLU 39 HG3 GLU 39 -0.310 11.869 -8.826 258 H ALA 40 H ALA 40 2.235 14.780 -6.144 259 HA ALA 40 HA ALA 40 4.172 14.527 -8.293 260 HB1 ALA 40 HB1 ALA 40 4.117 16.962 -6.497 261 HB2 ALA 40 HB2 ALA 40 3.995 16.932 -8.256 262 HB3 ALA 40 HB3 ALA 40 5.510 16.487 -7.470 263 H SER 41 H SER 41 6.489 14.770 -7.135 264 HA SER 41 HA SER 41 6.478 12.740 -5.036 265 HB2 SER 41 HB2 SER 41 8.861 12.627 -5.416 266 HB3 SER 41 HB3 SER 41 8.051 12.641 -6.982 267 HG SER 41 HG SER 41 9.745 14.117 -6.994 268 H VAL 42 H VAL 42 7.485 13.007 -3.019 269 HA VAL 42 HA VAL 42 6.910 15.283 -1.580 270 HB VAL 42 HB VAL 42 7.494 13.108 -0.575 271 HG11 VAL 42 HG11 VAL 42 10.387 13.818 -1.089 272 HG12 VAL 42 HG12 VAL 42 9.473 12.780 -2.184 273 HG13 VAL 42 HG13 VAL 42 9.725 12.292 -0.509 274 HG21 VAL 42 HG21 VAL 42 9.386 15.271 0.379 275 HG22 VAL 42 HG22 VAL 42 8.643 13.995 1.344 276 HG23 VAL 42 HG23 VAL 42 7.650 15.299 0.691 277 H GLY 43 H GLY 43 9.986 14.446 -3.158 278 HA2 GLY 43 HA2 GLY 43 11.491 16.624 -2.244 279 HA3 GLY 43 HA3 GLY 43 11.810 15.726 -3.724 280 H HIS 44 H HIS 44 8.937 16.511 -4.541 281 HA HIS 44 HA HIS 44 9.728 18.836 -6.046 282 HB2 HIS 44 HB2 HIS 44 8.203 16.969 -6.869 283 HB3 HIS 44 HB3 HIS 44 6.948 17.667 -5.847 284 HD1 HIS 44 HD1 HIS 44 5.505 19.283 -7.061 285 HD2 HIS 44 HD2 HIS 44 9.370 19.230 -8.624 286 HE1 HIS 44 HE1 HIS 44 5.517 20.917 -8.993 287 HE2 HIS 44 HE2 HIS 44 7.865 20.896 -9.961 288 H ILE 45 H ILE 45 8.134 18.266 -3.055 289 HA ILE 45 HA ILE 45 6.656 20.734 -2.972 290 HB ILE 45 HB ILE 45 7.391 18.674 -0.889 291 HG12 ILE 45 HG12 ILE 45 4.981 18.234 -0.932 292 HG13 ILE 45 HG13 ILE 45 4.742 19.553 -2.075 293 HG21 ILE 45 HG21 ILE 45 7.298 20.728 0.356 294 HG22 ILE 45 HG22 ILE 45 5.737 19.939 0.574 295 HG23 ILE 45 HG23 ILE 45 5.893 21.285 -0.554 296 HD11 ILE 45 HD11 ILE 45 5.771 18.389 -3.831 297 HD12 ILE 45 HD12 ILE 45 4.895 17.115 -2.987 298 HD13 ILE 45 HD13 ILE 45 6.629 17.299 -2.738 299 H SER 46 H SER 46 9.892 19.705 -2.106 300 HA SER 46 HA SER 46 10.740 21.536 -0.289 301 HB2 SER 46 HB2 SER 46 12.947 21.265 -1.153 302 HB3 SER 46 HB3 SER 46 12.110 19.743 -1.459 303 HG SER 46 HG SER 46 11.580 20.769 -3.570 304 H HIS 47 H HIS 47 10.522 22.100 -3.800 305 HA HIS 47 HA HIS 47 11.588 24.636 -3.938 306 HB2 HIS 47 HB2 HIS 47 9.238 23.526 -5.489 307 HB3 HIS 47 HB3 HIS 47 10.153 24.966 -5.935 308 HD1 HIS 47 HD1 HIS 47 11.487 21.637 -4.653 309 HD2 HIS 47 HD2 HIS 47 11.703 24.045 -8.050 310 HE1 HIS 47 HE1 HIS 47 13.165 20.543 -6.199 311 HE2 HIS 47 HE2 HIS 47 13.307 21.996 -8.277 312 H GLN 48 H GLN 48 8.790 23.694 -2.269 313 HA GLN 48 HA GLN 48 7.545 26.359 -2.339 314 HB2 GLN 48 HB2 GLN 48 6.671 23.887 -0.831 315 HB3 GLN 48 HB3 GLN 48 5.728 25.348 -1.122 316 HG2 GLN 48 HG2 GLN 48 6.058 24.883 -3.620 317 HG3 GLN 48 HG3 GLN 48 6.631 23.287 -3.141 318 HE21 GLN 48 HE21 GLN 48 3.806 25.160 -3.760 319 HE22 GLN 48 HE22 GLN 48 2.669 24.039 -3.185 320 H LEU 49 H LEU 49 8.613 24.035 0.155 321 HA LEU 49 HA LEU 49 8.823 26.198 2.124 322 HB2 LEU 49 HB2 LEU 49 9.464 23.284 2.564 323 HB3 LEU 49 HB3 LEU 49 8.980 24.494 3.751 324 HG LEU 49 HG LEU 49 7.259 23.332 1.543 325 HD11 LEU 49 HD11 LEU 49 7.449 21.821 3.411 326 HD12 LEU 49 HD12 LEU 49 5.881 22.617 3.542 327 HD13 LEU 49 HD13 LEU 49 7.220 23.134 4.566 328 HD21 LEU 49 HD21 LEU 49 5.467 24.736 2.755 329 HD22 LEU 49 HD22 LEU 49 6.594 25.605 1.716 330 HD23 LEU 49 HD23 LEU 49 6.815 25.622 3.466 331 H ASN 50 H ASN 50 10.903 23.713 0.633 332 HA ASN 50 HA ASN 50 13.190 23.562 0.449 333 HB2 ASN 50 HB2 ASN 50 12.783 25.768 -0.714 334 HB3 ASN 50 HB3 ASN 50 13.166 26.564 0.812 335 HD21 ASN 50 HD21 ASN 50 14.795 26.986 -1.489 336 HD22 ASN 50 HD22 ASN 50 16.310 26.272 -1.214 337 H LEU 51 H LEU 51 13.230 22.467 2.508 338 HA LEU 51 HA LEU 51 14.833 23.893 4.501 339 HB2 LEU 51 HB2 LEU 51 12.257 24.071 4.956 340 HB3 LEU 51 HB3 LEU 51 12.400 22.393 5.463 341 HG LEU 51 HG LEU 51 13.954 24.743 6.586 342 HD11 LEU 51 HD11 LEU 51 12.649 24.337 8.606 343 HD12 LEU 51 HD12 LEU 51 11.860 22.951 7.852 344 HD13 LEU 51 HD13 LEU 51 11.551 24.579 7.247 345 HD21 LEU 51 HD21 LEU 51 14.603 22.914 8.309 346 HD22 LEU 51 HD22 LEU 51 15.429 22.905 6.755 347 HD23 LEU 51 HD23 LEU 51 14.118 21.765 7.063 348 H SER 52 H SER 52 12.947 20.861 4.394 349 HA SER 52 HA SER 52 15.324 19.257 4.129 350 HB2 SER 52 HB2 SER 52 13.880 19.429 6.771 351 HB3 SER 52 HB3 SER 52 14.793 17.993 6.307 352 HG SER 52 HG SER 52 16.252 20.154 5.776 353 H GLN 53 H GLN 53 14.770 17.504 2.978 354 HA GLN 53 HA GLN 53 12.076 17.010 2.250 355 HB2 GLN 53 HB2 GLN 53 14.104 16.489 0.855 356 HB3 GLN 53 HB3 GLN 53 14.429 15.135 1.936 357 HG2 GLN 53 HG2 GLN 53 12.179 14.215 1.425 358 HG3 GLN 53 HG3 GLN 53 11.907 15.546 0.303 359 HE21 GLN 53 HE21 GLN 53 13.602 12.497 0.754 360 HE22 GLN 53 HE22 GLN 53 14.236 12.405 -0.817 361 H SER 54 H SER 54 14.115 15.780 4.791 362 HA SER 54 HA SER 54 12.471 13.457 5.328 363 HB2 SER 54 HB2 SER 54 14.637 14.721 7.025 364 HB3 SER 54 HB3 SER 54 13.966 13.101 7.211 365 HG SER 54 HG SER 54 15.912 13.962 5.569 366 H ASN 55 H ASN 55 12.728 16.751 6.474 367 HA ASN 55 HA ASN 55 11.229 16.399 8.877 368 HB2 ASN 55 HB2 ASN 55 12.729 18.327 8.495 369 HB3 ASN 55 HB3 ASN 55 11.641 18.909 7.235 370 HD21 ASN 55 HD21 ASN 55 10.340 20.557 8.029 371 HD22 ASN 55 HD22 ASN 55 9.685 20.615 9.594 372 H VAL 56 H VAL 56 10.364 17.479 5.604 373 HA VAL 56 HA VAL 56 7.609 17.950 6.249 374 HB VAL 56 HB VAL 56 7.294 18.207 3.852 375 HG11 VAL 56 HG11 VAL 56 8.401 20.045 5.084 376 HG12 VAL 56 HG12 VAL 56 8.988 19.945 3.424 377 HG13 VAL 56 HG13 VAL 56 9.972 19.319 4.746 378 HG21 VAL 56 HG21 VAL 56 10.033 16.925 3.713 379 HG22 VAL 56 HG22 VAL 56 9.314 17.798 2.359 380 HG23 VAL 56 HG23 VAL 56 8.535 16.345 2.985 381 H SER 57 H SER 57 9.473 15.224 5.066 382 HA SER 57 HA SER 57 7.314 13.597 4.208 383 HB2 SER 57 HB2 SER 57 10.048 12.853 5.275 384 HB3 SER 57 HB3 SER 57 8.929 11.720 4.520 385 HG SER 57 HG SER 57 9.656 12.400 2.690 386 H HIS 58 H HIS 58 9.161 13.606 7.248 387 HA HIS 58 HA HIS 58 7.886 11.685 8.691 388 HB2 HIS 58 HB2 HIS 58 9.774 13.214 9.447 389 HB3 HIS 58 HB3 HIS 58 8.532 14.390 9.875 390 HD1 HIS 58 HD1 HIS 58 10.217 11.368 11.099 391 HD2 HIS 58 HD2 HIS 58 6.650 13.368 11.910 392 HE1 HIS 58 HE1 HIS 58 9.389 10.482 13.321 393 HE2 HIS 58 HE2 HIS 58 7.215 11.688 13.831 394 H GLN 59 H GLN 59 6.695 14.964 8.078 395 HA GLN 59 HA GLN 59 4.526 14.947 9.842 396 HB2 GLN 59 HB2 GLN 59 4.807 16.334 7.167 397 HB3 GLN 59 HB3 GLN 59 3.560 16.691 8.361 398 HG2 GLN 59 HG2 GLN 59 5.260 17.308 10.004 399 HG3 GLN 59 HG3 GLN 59 6.543 16.861 8.881 400 HE21 GLN 59 HE21 GLN 59 7.244 19.201 9.134 401 HE22 GLN 59 HE22 GLN 59 6.469 20.380 8.191 402 H LEU 60 H LEU 60 4.479 14.193 6.336 403 HA LEU 60 HA LEU 60 1.803 13.539 6.137 404 HB2 LEU 60 HB2 LEU 60 4.240 12.584 4.648 405 HB3 LEU 60 HB3 LEU 60 2.660 11.909 4.265 406 HG LEU 60 HG LEU 60 1.821 14.270 3.931 407 HD11 LEU 60 HD11 LEU 60 3.649 15.957 3.482 408 HD12 LEU 60 HD12 LEU 60 4.783 14.830 4.225 409 HD13 LEU 60 HD13 LEU 60 3.470 15.520 5.180 410 HD21 LEU 60 HD21 LEU 60 4.106 13.247 2.224 411 HD22 LEU 60 HD22 LEU 60 2.997 14.527 1.730 412 HD23 LEU 60 HD23 LEU 60 2.391 12.896 2.015 413 H LYS 61 H LYS 61 4.273 11.781 7.781 414 HA LYS 61 HA LYS 61 3.025 9.207 7.623 415 HB2 LYS 61 HB2 LYS 61 4.944 10.190 9.746 416 HB3 LYS 61 HB3 LYS 61 4.594 8.518 9.325 417 HG2 LYS 61 HG2 LYS 61 5.701 10.452 7.280 418 HG3 LYS 61 HG3 LYS 61 6.755 9.566 8.374 419 HD2 LYS 61 HD2 LYS 61 5.697 7.432 7.572 420 HD3 LYS 61 HD3 LYS 61 4.808 8.377 6.377 421 HE2 LYS 61 HE2 LYS 61 7.823 8.444 6.612 422 HE3 LYS 61 HE3 LYS 61 6.966 7.338 5.540 423 HZ1 LYS 61 HZ1 LYS 61 5.791 9.528 4.797 424 HZ2 LYS 61 HZ2 LYS 61 7.305 9.103 4.157 425 HZ3 LYS 61 HZ3 LYS 61 7.201 10.258 5.398 426 H LEU 62 H LEU 62 2.931 11.877 9.943 427 HA LEU 62 HA LEU 62 1.328 10.529 11.876 428 HB2 LEU 62 HB2 LEU 62 1.962 13.414 11.300 429 HB3 LEU 62 HB3 LEU 62 0.776 13.002 12.528 430 HG LEU 62 HG LEU 62 3.147 13.343 13.359 431 HD11 LEU 62 HD11 LEU 62 2.950 11.757 15.039 432 HD12 LEU 62 HD12 LEU 62 2.346 10.506 13.962 433 HD13 LEU 62 HD13 LEU 62 1.295 11.831 14.453 434 HD21 LEU 62 HD21 LEU 62 4.827 11.720 12.906 435 HD22 LEU 62 HD22 LEU 62 4.136 12.150 11.342 436 HD23 LEU 62 HD23 LEU 62 3.674 10.639 12.123 437 H LEU 63 H LEU 63 0.614 12.506 9.044 438 HA LEU 63 HA LEU 63 -2.209 12.635 9.531 439 HB2 LEU 63 HB2 LEU 63 -0.884 12.972 6.842 440 HB3 LEU 63 HB3 LEU 63 -2.357 13.733 7.444 441 HG LEU 63 HG LEU 63 0.459 14.232 8.456 442 HD11 LEU 63 HD11 LEU 63 -1.447 16.168 7.128 443 HD12 LEU 63 HD12 LEU 63 -0.270 15.224 6.213 444 HD13 LEU 63 HD13 LEU 63 0.279 16.376 7.430 445 HD21 LEU 63 HD21 LEU 63 -2.256 15.190 9.380 446 HD22 LEU 63 HD22 LEU 63 -0.784 16.095 9.729 447 HD23 LEU 63 HD23 LEU 63 -0.973 14.454 10.341 448 H LYS 64 H LYS 64 -0.062 10.433 7.869 449 HA LYS 64 HA LYS 64 -2.147 9.025 6.465 450 HB2 LYS 64 HB2 LYS 64 0.193 9.044 5.664 451 HB3 LYS 64 HB3 LYS 64 0.684 8.161 7.109 452 HG2 LYS 64 HG2 LYS 64 -0.546 6.228 6.480 453 HG3 LYS 64 HG3 LYS 64 -1.466 7.110 5.262 454 HD2 LYS 64 HD2 LYS 64 0.447 7.313 3.835 455 HD3 LYS 64 HD3 LYS 64 1.536 6.758 5.107 456 HE2 LYS 64 HE2 LYS 64 0.463 4.542 5.074 457 HE3 LYS 64 HE3 LYS 64 -0.655 5.094 3.827 458 HZ1 LYS 64 HZ1 LYS 64 1.770 3.942 3.396 459 HZ2 LYS 64 HZ2 LYS 64 2.083 5.595 3.159 460 HZ3 LYS 64 HZ3 LYS 64 0.872 4.821 2.254 461 H SER 65 H SER 65 -1.096 9.138 9.669 462 HA SER 65 HA SER 65 -1.727 6.381 10.346 463 HB2 SER 65 HB2 SER 65 -1.083 8.763 12.100 464 HB3 SER 65 HB3 SER 65 -1.210 7.091 12.643 465 HG SER 65 HG SER 65 0.880 7.231 12.213 466 H VAL 66 H VAL 66 -3.238 9.566 10.592 467 HA VAL 66 HA VAL 66 -5.349 8.721 12.320 468 HB VAL 66 HB VAL 66 -5.228 11.098 10.447 469 HG11 VAL 66 HG11 VAL 66 -6.995 10.399 12.807 470 HG12 VAL 66 HG12 VAL 66 -7.502 10.698 11.145 471 HG13 VAL 66 HG13 VAL 66 -6.879 12.023 12.128 472 HG21 VAL 66 HG21 VAL 66 -4.575 10.908 13.403 473 HG22 VAL 66 HG22 VAL 66 -4.421 12.335 12.378 474 HG23 VAL 66 HG23 VAL 66 -3.364 10.946 12.122 475 H HIS 67 H HIS 67 -5.705 9.925 8.982 476 HA HIS 67 HA HIS 67 -6.966 7.622 7.948 477 HB2 HIS 67 HB2 HIS 67 -8.755 8.288 9.577 478 HB3 HIS 67 HB3 HIS 67 -8.903 9.818 8.717 479 HD1 HIS 67 HD1 HIS 67 -8.276 6.574 6.919 480 HD2 HIS 67 HD2 HIS 67 -11.443 9.197 7.606 481 HE1 HIS 67 HE1 HIS 67 -10.144 5.862 5.368 482 HE2 HIS 67 HE2 HIS 67 -12.082 7.450 5.772 483 H LEU 68 H LEU 68 -5.724 10.704 7.695 484 HA LEU 68 HA LEU 68 -6.743 11.120 4.935 485 HB2 LEU 68 HB2 LEU 68 -5.325 13.151 6.656 486 HB3 LEU 68 HB3 LEU 68 -6.291 13.427 5.207 487 HG LEU 68 HG LEU 68 -7.323 12.424 7.877 488 HD11 LEU 68 HD11 LEU 68 -8.587 14.605 7.789 489 HD12 LEU 68 HD12 LEU 68 -7.611 15.049 6.388 490 HD13 LEU 68 HD13 LEU 68 -6.840 14.794 7.953 491 HD21 LEU 68 HD21 LEU 68 -8.679 11.391 6.226 492 HD22 LEU 68 HD22 LEU 68 -8.631 12.809 5.178 493 HD23 LEU 68 HD23 LEU 68 -9.570 12.843 6.671 494 H VAL 69 H VAL 69 -5.230 11.849 3.351 495 HA VAL 69 HA VAL 69 -3.269 11.826 2.191 496 HB VAL 69 HB VAL 69 -1.778 11.456 4.794 497 HG11 VAL 69 HG11 VAL 69 -0.517 11.228 2.677 498 HG12 VAL 69 HG12 VAL 69 -0.024 12.665 3.572 499 HG13 VAL 69 HG13 VAL 69 -1.089 12.819 2.174 500 HG21 VAL 69 HG21 VAL 69 -3.021 13.937 3.586 501 HG22 VAL 69 HG22 VAL 69 -1.655 14.022 4.699 502 HG23 VAL 69 HG23 VAL 69 -3.186 13.333 5.235 503 H LYS 70 H LYS 70 -2.538 10.209 1.022 504 HA LYS 70 HA LYS 70 -1.793 7.644 2.225 505 HB2 LYS 70 HB2 LYS 70 -4.284 7.606 1.708 506 HB3 LYS 70 HB3 LYS 70 -3.847 7.774 0.008 507 HG2 LYS 70 HG2 LYS 70 -2.616 5.697 0.049 508 HG3 LYS 70 HG3 LYS 70 -2.790 5.569 1.800 509 HD2 LYS 70 HD2 LYS 70 -5.209 5.323 1.577 510 HD3 LYS 70 HD3 LYS 70 -5.099 5.566 -0.167 511 HE2 LYS 70 HE2 LYS 70 -5.269 3.165 0.370 512 HE3 LYS 70 HE3 LYS 70 -3.705 3.533 -0.358 513 HZ1 LYS 70 HZ1 LYS 70 -3.711 3.824 2.493 514 HZ2 LYS 70 HZ2 LYS 70 -2.639 2.966 1.494 515 HZ3 LYS 70 HZ3 LYS 70 -4.091 2.245 2.000 516 H ALA 71 H ALA 71 -0.749 6.218 0.622 517 HA ALA 71 HA ALA 71 0.082 7.408 -1.901 518 HB1 ALA 71 HB1 ALA 71 1.679 8.488 -0.470 519 HB2 ALA 71 HB2 ALA 71 2.520 7.171 -1.289 520 HB3 ALA 71 HB3 ALA 71 2.011 6.984 0.389 521 H LYS 72 H LYS 72 1.386 5.948 -3.186 522 HA LYS 72 HA LYS 72 1.407 3.121 -2.344 523 HB2 LYS 72 HB2 LYS 72 -0.719 3.685 -3.645 524 HB3 LYS 72 HB3 LYS 72 0.325 4.017 -5.019 525 HG2 LYS 72 HG2 LYS 72 -0.224 1.774 -5.382 526 HG3 LYS 72 HG3 LYS 72 1.312 1.633 -4.536 527 HD2 LYS 72 HD2 LYS 72 0.198 1.130 -2.453 528 HD3 LYS 72 HD3 LYS 72 -1.380 1.518 -3.139 529 HE2 LYS 72 HE2 LYS 72 -0.952 -0.936 -3.038 530 HE3 LYS 72 HE3 LYS 72 -1.219 -0.356 -4.682 531 HZ1 LYS 72 HZ1 LYS 72 0.683 -1.836 -4.570 532 HZ2 LYS 72 HZ2 LYS 72 1.428 -0.829 -3.424 533 HZ3 LYS 72 HZ3 LYS 72 1.170 -0.271 -5.007 534 H ARG 73 H ARG 73 3.305 2.229 -2.815 535 HA ARG 73 HA ARG 73 5.396 3.675 -3.929 536 HB2 ARG 73 HB2 ARG 73 5.165 0.661 -3.762 537 HB3 ARG 73 HB3 ARG 73 6.659 1.590 -3.893 538 HG2 ARG 73 HG2 ARG 73 6.109 2.723 -1.746 539 HG3 ARG 73 HG3 ARG 73 4.671 1.714 -1.605 540 HD2 ARG 73 HD2 ARG 73 7.551 0.774 -1.662 541 HD3 ARG 73 HD3 ARG 73 6.446 0.709 -0.291 542 HE ARG 73 HE ARG 73 5.222 -0.711 -2.347 543 HH11 ARG 73 HH21 ARG 73 8.146 -0.814 -0.498 544 HH12 ARG 73 HH22 ARG 73 8.299 -2.538 -0.576 545 HH21 ARG 73 HH11 ARG 73 5.417 -2.973 -2.457 546 HH22 ARG 73 HH12 ARG 73 6.754 -3.760 -1.686 547 H GLN 74 H GLN 74 6.567 3.467 -5.836 548 HA GLN 74 HA GLN 74 5.430 2.039 -8.113 549 HB2 GLN 74 HB2 GLN 74 4.240 4.294 -7.924 550 HB3 GLN 74 HB3 GLN 74 5.794 5.030 -8.315 551 HG2 GLN 74 HG2 GLN 74 4.686 4.795 -10.403 552 HG3 GLN 74 HG3 GLN 74 5.842 3.467 -10.350 553 HE21 GLN 74 HE21 GLN 74 4.664 1.922 -11.591 554 HE22 GLN 74 HE22 GLN 74 3.146 1.321 -11.124 555 H GLY 75 H GLY 75 7.213 1.001 -8.753 556 HA2 GLY 75 HA2 GLY 75 9.283 0.697 -9.725 557 HA3 GLY 75 HA3 GLY 75 9.404 2.445 -9.884 558 H GLN 76 H GLN 76 10.723 3.531 -8.542 559 HA GLN 76 HA GLN 76 11.865 2.128 -6.179 560 HB2 GLN 76 HB2 GLN 76 13.358 4.018 -8.005 561 HB3 GLN 76 HB3 GLN 76 14.018 3.028 -6.704 562 HG2 GLN 76 HG2 GLN 76 14.534 1.832 -8.687 563 HG3 GLN 76 HG3 GLN 76 13.129 1.004 -8.021 564 HE21 GLN 76 HE21 GLN 76 11.617 0.538 -9.616 565 HE22 GLN 76 HE22 GLN 76 11.308 1.501 -10.978 566 H SER 77 H SER 77 9.712 4.283 -6.737 567 HA SER 77 HA SER 77 10.541 6.052 -4.543 568 HB2 SER 77 HB2 SER 77 9.756 6.988 -7.310 569 HB3 SER 77 HB3 SER 77 9.703 8.029 -5.888 570 HG SER 77 HG SER 77 11.991 6.587 -6.734 571 H MET 78 H MET 78 8.712 7.337 -3.731 572 HA MET 78 HA MET 78 6.120 5.919 -4.080 573 HB2 MET 78 HB2 MET 78 5.697 6.821 -1.731 574 HB3 MET 78 HB3 MET 78 6.896 5.534 -1.869 575 HG2 MET 78 HG2 MET 78 8.711 7.157 -1.812 576 HG3 MET 78 HG3 MET 78 7.560 8.492 -1.818 577 HE1 MET 78 HE1 MET 78 9.628 8.685 0.157 578 HE2 MET 78 HE2 MET 78 9.978 6.964 0.309 579 HE3 MET 78 HE3 MET 78 9.484 7.890 1.725 580 H ILE 79 H ILE 79 4.338 7.082 -4.513 581 HA ILE 79 HA ILE 79 4.626 10.016 -4.884 582 HB ILE 79 HB ILE 79 2.583 8.198 -6.167 583 HG12 ILE 79 HG12 ILE 79 5.277 9.111 -7.227 584 HG13 ILE 79 HG13 ILE 79 4.838 7.453 -6.815 585 HG21 ILE 79 HG21 ILE 79 2.213 10.709 -6.019 586 HG22 ILE 79 HG22 ILE 79 2.242 10.054 -7.656 587 HG23 ILE 79 HG23 ILE 79 3.651 10.901 -7.019 588 HD11 ILE 79 HD11 ILE 79 2.925 7.698 -8.501 589 HD12 ILE 79 HD12 ILE 79 4.551 7.620 -9.178 590 HD13 ILE 79 HD13 ILE 79 3.727 9.173 -9.042 591 H TYR 80 H TYR 80 3.236 11.369 -3.911 592 HA TYR 80 HA TYR 80 1.187 10.225 -2.088 593 HB2 TYR 80 HB2 TYR 80 2.729 12.828 -1.992 594 HB3 TYR 80 HB3 TYR 80 1.410 12.412 -0.898 595 HD1 TYR 80 HD1 TYR 80 4.804 11.409 -2.037 596 HD2 TYR 80 HD2 TYR 80 1.735 10.895 0.923 597 HE1 TYR 80 HE1 TYR 80 6.390 10.139 -0.614 598 HE2 TYR 80 HE2 TYR 80 3.321 9.629 2.348 599 HH TYR 80 HH TYR 80 5.823 8.177 1.465 600 H SER 81 H SER 81 -0.891 10.934 -2.203 601 HA SER 81 HA SER 81 -1.634 13.240 -3.796 602 HB2 SER 81 HB2 SER 81 -3.057 11.976 -5.351 603 HB3 SER 81 HB3 SER 81 -1.366 11.506 -5.527 604 HG SER 81 HG SER 81 -2.981 10.119 -3.713 605 H LEU 82 H LEU 82 -4.255 12.910 -4.113 606 HA LEU 82 HA LEU 82 -5.335 13.320 -1.556 607 HB2 LEU 82 HB2 LEU 82 -6.916 12.418 -3.967 608 HB3 LEU 82 HB3 LEU 82 -7.469 13.414 -2.622 609 HG LEU 82 HG LEU 82 -5.379 14.199 -4.676 610 HD11 LEU 82 HD11 LEU 82 -7.612 14.251 -5.615 611 HD12 LEU 82 HD12 LEU 82 -7.116 15.909 -5.279 612 HD13 LEU 82 HD13 LEU 82 -8.235 15.087 -4.193 613 HD21 LEU 82 HD21 LEU 82 -6.424 15.543 -2.179 614 HD22 LEU 82 HD22 LEU 82 -5.739 16.481 -3.507 615 HD23 LEU 82 HD23 LEU 82 -4.749 15.289 -2.670 616 H ASP 83 H ASP 83 -7.775 11.713 -1.913 617 HA ASP 83 HA ASP 83 -6.943 8.945 -1.563 618 HB2 ASP 83 HB2 ASP 83 -8.335 10.329 0.730 619 HB3 ASP 83 HB3 ASP 83 -7.632 8.714 0.700 620 H ASP 84 H ASP 84 -9.397 11.413 -1.805 621 HA ASP 84 HA ASP 84 -11.191 9.601 -3.113 622 HB2 ASP 84 HB2 ASP 84 -11.551 9.150 -0.624 623 HB3 ASP 84 HB3 ASP 84 -12.207 10.783 -0.528 624 H ILE 85 H ILE 85 -13.078 10.697 -3.964 625 HA ILE 85 HA ILE 85 -12.475 13.423 -4.695 626 HB ILE 85 HB ILE 85 -14.580 13.216 -6.036 627 HG12 ILE 85 HG12 ILE 85 -14.588 10.389 -4.935 628 HG13 ILE 85 HG13 ILE 85 -15.717 11.651 -4.445 629 HG21 ILE 85 HG21 ILE 85 -12.310 12.485 -6.854 630 HG22 ILE 85 HG22 ILE 85 -13.652 11.626 -7.610 631 HG23 ILE 85 HG23 ILE 85 -12.712 10.848 -6.336 632 HD11 ILE 85 HD11 ILE 85 -16.829 10.385 -6.149 633 HD12 ILE 85 HD12 ILE 85 -15.406 10.414 -7.189 634 HD13 ILE 85 HD13 ILE 85 -16.323 11.893 -6.908 635 H HIS 86 H HIS 86 -13.505 12.410 -1.891 636 HA HIS 86 HA HIS 86 -15.948 13.893 -1.524 637 HB2 HIS 86 HB2 HIS 86 -14.021 12.570 0.392 638 HB3 HIS 86 HB3 HIS 86 -15.475 13.416 0.921 639 HD1 HIS 86 HD1 HIS 86 -14.517 10.127 0.455 640 HD2 HIS 86 HD2 HIS 86 -17.735 12.302 -1.061 641 HE1 HIS 86 HE1 HIS 86 -16.265 8.431 -0.237 642 HE2 HIS 86 HE2 HIS 86 -18.234 9.740 -1.162 643 H VAL 87 H VAL 87 -12.932 14.252 0.313 644 HA VAL 87 HA VAL 87 -13.314 16.803 1.222 645 HB VAL 87 HB VAL 87 -10.807 16.950 1.343 646 HG11 VAL 87 HG11 VAL 87 -10.589 14.990 2.846 647 HG12 VAL 87 HG12 VAL 87 -12.083 14.329 2.184 648 HG13 VAL 87 HG13 VAL 87 -12.117 15.833 3.103 649 HG21 VAL 87 HG21 VAL 87 -9.483 15.092 0.533 650 HG22 VAL 87 HG22 VAL 87 -10.454 15.686 -0.815 651 HG23 VAL 87 HG23 VAL 87 -10.932 14.217 0.036 652 H ALA 88 H ALA 88 -12.957 15.925 -2.021 653 HA ALA 88 HA ALA 88 -11.508 18.096 -3.079 654 HB1 ALA 88 HB1 ALA 88 -12.051 16.086 -4.388 655 HB2 ALA 88 HB2 ALA 88 -12.619 17.542 -5.205 656 HB3 ALA 88 HB3 ALA 88 -13.761 16.513 -4.342 657 H THR 89 H THR 89 -15.054 17.637 -3.080 658 HA THR 89 HA THR 89 -15.601 20.328 -3.806 659 HB THR 89 HB THR 89 -17.163 18.396 -4.145 660 HG1 THR 89 HG1 THR 89 -17.822 20.818 -2.950 661 HG21 THR 89 HG21 THR 89 -16.755 17.490 -1.794 662 HG22 THR 89 HG22 THR 89 -18.440 17.535 -2.314 663 HG23 THR 89 HG23 THR 89 -17.823 18.770 -1.216 664 H MET 90 H MET 90 -15.118 18.711 -0.750 665 HA MET 90 HA MET 90 -16.313 20.544 0.997 666 HB2 MET 90 HB2 MET 90 -15.296 18.286 1.577 667 HB3 MET 90 HB3 MET 90 -13.725 19.088 1.547 668 HG2 MET 90 HG2 MET 90 -14.465 20.661 3.273 669 HG3 MET 90 HG3 MET 90 -16.071 19.932 3.274 670 HE1 MET 90 HE1 MET 90 -16.344 18.710 5.782 671 HE2 MET 90 HE2 MET 90 -15.435 20.217 5.683 672 HE3 MET 90 HE3 MET 90 -14.822 18.882 6.660 673 H LEU 91 H LEU 91 -13.103 20.543 -0.502 674 HA LEU 91 HA LEU 91 -12.040 22.761 0.872 675 HB2 LEU 91 HB2 LEU 91 -10.780 21.133 -0.611 676 HB3 LEU 91 HB3 LEU 91 -11.466 21.980 -1.990 677 HG LEU 91 HG LEU 91 -10.479 24.131 -0.838 678 HD11 LEU 91 HD11 LEU 91 -9.784 23.160 1.272 679 HD12 LEU 91 HD12 LEU 91 -8.340 23.596 0.364 680 HD13 LEU 91 HD13 LEU 91 -8.853 21.913 0.441 681 HD21 LEU 91 HD21 LEU 91 -9.693 23.222 -2.986 682 HD22 LEU 91 HD22 LEU 91 -8.678 22.063 -2.128 683 HD23 LEU 91 HD23 LEU 91 -8.338 23.789 -2.010 684 H LYS 92 H LYS 92 -13.777 22.544 -2.228 685 HA LYS 92 HA LYS 92 -13.710 25.304 -2.823 686 HB2 LYS 92 HB2 LYS 92 -15.937 23.441 -3.643 687 HB3 LYS 92 HB3 LYS 92 -15.294 24.830 -4.517 688 HG2 LYS 92 HG2 LYS 92 -13.881 22.199 -4.000 689 HG3 LYS 92 HG3 LYS 92 -14.444 22.810 -5.555 690 HD2 LYS 92 HD2 LYS 92 -12.904 24.831 -5.122 691 HD3 LYS 92 HD3 LYS 92 -12.181 23.853 -3.845 692 HE2 LYS 92 HE2 LYS 92 -10.881 23.530 -5.863 693 HE3 LYS 92 HE3 LYS 92 -11.782 22.046 -5.548 694 HZ1 LYS 92 HZ1 LYS 92 -11.782 23.198 -7.901 695 HZ2 LYS 92 HZ2 LYS 92 -13.058 24.080 -7.212 696 HZ3 LYS 92 HZ3 LYS 92 -13.150 22.386 -7.306 697 H GLN 93 H GLN 93 -16.395 23.347 -1.514 698 HA GLN 93 HA GLN 93 -18.300 25.196 -1.074 699 HB2 GLN 93 HB2 GLN 93 -18.331 22.743 -0.410 700 HB3 GLN 93 HB3 GLN 93 -17.545 23.232 1.091 701 HG2 GLN 93 HG2 GLN 93 -19.893 23.209 1.552 702 HG3 GLN 93 HG3 GLN 93 -19.446 24.907 1.387 703 HE21 GLN 93 HE21 GLN 93 -21.044 22.200 -0.301 704 HE22 GLN 93 HE22 GLN 93 -21.862 23.173 -1.425 705 H ALA 94 H ALA 94 -15.332 24.878 0.820 706 HA ALA 94 HA ALA 94 -16.088 26.634 2.918 707 HB1 ALA 94 HB1 ALA 94 -14.169 25.032 3.013 708 HB2 ALA 94 HB2 ALA 94 -13.732 26.676 3.479 709 HB3 ALA 94 HB3 ALA 94 -13.301 26.069 1.881 710 H ILE 95 H ILE 95 -14.262 27.128 -0.094 711 HA ILE 95 HA ILE 95 -13.899 29.938 0.308 712 HB ILE 95 HB ILE 95 -13.872 28.504 -2.348 713 HG12 ILE 95 HG12 ILE 95 -12.533 27.140 -0.876 714 HG13 ILE 95 HG13 ILE 95 -11.433 28.104 -1.858 715 HG21 ILE 95 HG21 ILE 95 -12.387 30.896 -1.221 716 HG22 ILE 95 HG22 ILE 95 -13.658 30.933 -2.442 717 HG23 ILE 95 HG23 ILE 95 -12.099 30.197 -2.814 718 HD11 ILE 95 HD11 ILE 95 -12.193 28.505 1.038 719 HD12 ILE 95 HD12 ILE 95 -11.455 29.795 0.091 720 HD13 ILE 95 HD13 ILE 95 -10.585 28.284 0.351 721 H HIS 96 H HIS 96 -16.547 28.021 -0.622 722 HA HIS 96 HA HIS 96 -17.835 29.927 -2.344 723 HB2 HIS 96 HB2 HIS 96 -18.248 27.420 -2.321 724 HB3 HIS 96 HB3 HIS 96 -19.155 27.670 -0.829 725 HD1 HIS 96 HD1 HIS 96 -20.904 26.650 -2.939 726 HD2 HIS 96 HD2 HIS 96 -20.011 30.718 -2.739 727 HE1 HIS 96 HE1 HIS 96 -22.737 27.850 -4.209 728 HE2 HIS 96 HE2 HIS 96 -22.209 30.330 -4.096 729 H HIS 97 H HIS 97 -18.621 28.772 0.956 730 HA HIS 97 HA HIS 97 -20.552 30.769 1.466 731 HB2 HIS 97 HB2 HIS 97 -20.203 28.611 2.763 732 HB3 HIS 97 HB3 HIS 97 -18.846 29.408 3.559 733 HD1 HIS 97 HD1 HIS 97 -22.479 29.055 3.715 734 HD2 HIS 97 HD2 HIS 97 -19.692 31.882 4.987 735 HE1 HIS 97 HE1 HIS 97 -23.651 30.484 5.443 736 HE2 HIS 97 HE2 HIS 97 -21.969 32.220 6.226 737 H ALA 98 H ALA 98 -17.108 30.823 1.477 738 HA ALA 98 HA ALA 98 -16.655 32.968 3.270 739 HB1 ALA 98 HB1 ALA 98 -14.468 33.076 2.344 740 HB2 ALA 98 HB2 ALA 98 -15.000 32.373 0.816 741 HB3 ALA 98 HB3 ALA 98 -14.928 31.374 2.269 742 H ASN 99 H ASN 99 -17.375 32.836 -0.191 743 HA ASN 99 HA ASN 99 -17.052 35.636 -0.653 744 HB2 ASN 99 HB2 ASN 99 -18.705 33.646 -2.225 745 HB3 ASN 99 HB3 ASN 99 -18.111 35.205 -2.795 746 HD21 ASN 99 HD21 ASN 99 -15.450 35.092 -1.735 747 HD22 ASN 99 HD22 ASN 99 -14.615 33.848 -2.532 748 H HIS 100 H HIS 100 -19.982 34.999 -1.997 749 HA HIS 100 HA HIS 100 -22.079 35.877 -1.633 750 HB2 HIS 100 HB2 HIS 100 -21.409 34.755 1.093 751 HB3 HIS 100 HB3 HIS 100 -23.001 35.383 0.671 752 HD1 HIS 100 HD1 HIS 100 -21.568 32.268 1.006 753 HD2 HIS 100 HD2 HIS 100 -23.573 34.042 -2.190 754 HE1 HIS 100 HE1 HIS 100 -22.402 30.376 -0.453 755 HE2 HIS 100 HE2 HIS 100 -23.628 31.437 -2.406 756 HA PRO 101 HA PRO 101 -20.339 39.668 0.483 757 HB2 PRO 101 HB2 PRO 101 -20.014 41.280 -1.676 758 HB3 PRO 101 HB3 PRO 101 -18.801 40.066 -1.232 759 HG2 PRO 101 HG2 PRO 101 -20.956 39.908 -3.307 760 HG3 PRO 101 HG3 PRO 101 -19.250 39.449 -3.434 761 HD2 PRO 101 HD2 PRO 101 -21.258 37.627 -2.949 762 HD3 PRO 101 HD3 PRO 101 -19.594 37.401 -2.372 763 H LYS 102 H LYS 102 -22.601 39.572 -2.273 764 HA LYS 102 HA LYS 102 -24.613 40.624 -2.641 765 HB2 LYS 102 HB2 LYS 102 -24.938 40.613 0.359 766 HB3 LYS 102 HB3 LYS 102 -26.186 40.464 -0.879 767 HG2 LYS 102 HG2 LYS 102 -24.015 38.428 -0.289 768 HG3 LYS 102 HG3 LYS 102 -25.721 38.275 0.128 769 HD2 LYS 102 HD2 LYS 102 -26.186 38.584 -2.388 770 HD3 LYS 102 HD3 LYS 102 -24.463 38.287 -2.620 771 HE2 LYS 102 HE2 LYS 102 -24.713 36.137 -1.366 772 HE3 LYS 102 HE3 LYS 102 -26.452 36.421 -1.296 773 HZ1 LYS 102 HZ1 LYS 102 -25.028 36.482 -3.876 774 HZ2 LYS 102 HZ2 LYS 102 -26.671 36.180 -3.568 775 HZ3 LYS 102 HZ3 LYS 102 -25.507 35.001 -3.196 776 H GLU 103 H GLU 103 -24.283 42.638 -3.402 777 HA GLU 103 HA GLU 103 -23.155 44.771 -1.900 778 HB2 GLU 103 HB2 GLU 103 -24.926 45.037 -4.336 779 HB3 GLU 103 HB3 GLU 103 -23.672 46.149 -3.785 780 HG2 GLU 103 HG2 GLU 103 -23.223 43.307 -4.748 781 HG3 GLU 103 HG3 GLU 103 -22.850 44.772 -5.655 782 H ASN 9 H ASN 9 -6.161 37.225 -1.936 783 HA ASN 9 HA ASN 9 -6.152 35.018 -2.137 784 HB2 ASN 9 HB2 ASN 9 -3.357 35.320 -3.276 785 HB3 ASN 9 HB3 ASN 9 -4.264 33.809 -3.214 786 HD21 ASN 9 HD21 ASN 9 -6.442 33.849 -4.405 787 HD22 ASN 9 HD22 ASN 9 -6.560 34.812 -5.799 788 H THR 10 H THR 10 -3.634 36.788 -0.597 789 HA THR 10 HA THR 10 -2.754 34.582 1.099 790 HB THR 10 HB THR 10 -2.080 37.525 1.297 791 HG1 THR 10 HG1 THR 10 -0.811 35.405 -0.094 792 HG21 THR 10 HG21 THR 10 -1.566 36.214 3.303 793 HG22 THR 10 HG22 THR 10 -0.074 36.635 2.463 794 HG23 THR 10 HG23 THR 10 -0.737 35.006 2.321 795 H ASP 11 H ASP 11 -4.701 37.528 1.330 796 HA ASP 11 HA ASP 11 -5.131 37.439 4.133 797 HB2 ASP 11 HB2 ASP 11 -6.777 38.649 1.900 798 HB3 ASP 11 HB3 ASP 11 -7.095 38.904 3.615 799 H THR 12 H THR 12 -6.767 35.963 1.386 800 HA THR 12 HA THR 12 -9.015 35.003 2.873 801 HB THR 12 HB THR 12 -7.918 33.906 0.277 802 HG1 THR 12 HG1 THR 12 -8.376 36.276 0.475 803 HG21 THR 12 HG21 THR 12 -10.709 33.985 1.462 804 HG22 THR 12 HG22 THR 12 -9.669 32.563 1.396 805 HG23 THR 12 HG23 THR 12 -10.271 33.286 -0.097 806 H LEU 13 H LEU 13 -5.819 33.773 2.118 807 HA LEU 13 HA LEU 13 -6.232 31.073 2.814 808 HB2 LEU 13 HB2 LEU 13 -4.242 31.828 1.601 809 HB3 LEU 13 HB3 LEU 13 -3.731 32.774 2.995 810 HG LEU 13 HG LEU 13 -3.475 30.729 4.323 811 HD11 LEU 13 HD11 LEU 13 -5.074 29.195 3.558 812 HD12 LEU 13 HD12 LEU 13 -3.586 28.523 2.907 813 HD13 LEU 13 HD13 LEU 13 -4.660 29.451 1.863 814 HD21 LEU 13 HD21 LEU 13 -2.140 30.554 1.607 815 HD22 LEU 13 HD22 LEU 13 -1.572 29.771 3.082 816 HD23 LEU 13 HD23 LEU 13 -1.584 31.530 2.966 817 H GLU 14 H GLU 14 -6.022 33.933 4.688 818 HA GLU 14 HA GLU 14 -5.312 32.608 7.181 819 HB2 GLU 14 HB2 GLU 14 -4.645 34.962 6.695 820 HB3 GLU 14 HB3 GLU 14 -6.349 35.415 6.713 821 HG2 GLU 14 HG2 GLU 14 -6.574 34.784 9.023 822 HG3 GLU 14 HG3 GLU 14 -4.979 34.033 9.033 823 H ARG 15 H ARG 15 -8.177 34.223 5.822 824 HA ARG 15 HA ARG 15 -9.936 33.856 7.931 825 HB2 ARG 15 HB2 ARG 15 -10.440 35.227 5.952 826 HB3 ARG 15 HB3 ARG 15 -10.561 33.768 4.969 827 HG2 ARG 15 HG2 ARG 15 -12.472 32.995 6.209 828 HG3 ARG 15 HG3 ARG 15 -12.262 34.253 7.428 829 HD2 ARG 15 HD2 ARG 15 -12.870 35.978 5.885 830 HD3 ARG 15 HD3 ARG 15 -12.763 34.880 4.512 831 HE ARG 15 HE ARG 15 -14.916 34.174 4.988 832 HH11 ARG 15 HH21 ARG 15 -13.507 35.760 7.722 833 HH12 ARG 15 HH22 ARG 15 -14.963 35.735 8.660 834 HH21 ARG 15 HH11 ARG 15 -16.830 34.143 6.210 835 HH22 ARG 15 HH12 ARG 15 -16.844 34.823 7.804 836 H VAL 16 H VAL 16 -9.576 31.723 5.084 837 HA VAL 16 HA VAL 16 -11.390 29.788 5.593 838 HB VAL 16 HB VAL 16 -9.747 28.150 4.595 839 HG11 VAL 16 HG11 VAL 16 -9.659 29.334 2.426 840 HG12 VAL 16 HG12 VAL 16 -10.034 30.852 3.242 841 HG13 VAL 16 HG13 VAL 16 -11.226 29.554 3.205 842 HG21 VAL 16 HG21 VAL 16 -7.696 29.100 5.549 843 HG22 VAL 16 HG22 VAL 16 -7.968 30.606 4.674 844 HG23 VAL 16 HG23 VAL 16 -7.606 29.125 3.787 845 H THR 17 H THR 17 -8.470 30.359 7.424 846 HA THR 17 HA THR 17 -8.535 27.845 8.824 847 HB THR 17 HB THR 17 -6.685 28.654 10.040 848 HG1 THR 17 HG1 THR 17 -6.345 30.780 10.423 849 HG21 THR 17 HG21 THR 17 -6.320 28.471 7.556 850 HG22 THR 17 HG22 THR 17 -5.221 29.596 8.356 851 HG23 THR 17 HG23 THR 17 -6.598 30.209 7.440 852 H GLU 18 H GLU 18 -9.583 31.158 9.501 853 HA GLU 18 HA GLU 18 -10.339 30.778 12.186 854 HB2 GLU 18 HB2 GLU 18 -11.628 32.667 10.206 855 HB3 GLU 18 HB3 GLU 18 -11.568 32.837 11.959 856 HG2 GLU 18 HG2 GLU 18 -9.075 32.940 11.820 857 HG3 GLU 18 HG3 GLU 18 -9.203 32.900 10.062 858 H ILE 19 H ILE 19 -11.828 29.785 9.233 859 HA ILE 19 HA ILE 19 -14.515 29.620 10.149 860 HB ILE 19 HB ILE 19 -13.240 27.900 8.015 861 HG12 ILE 19 HG12 ILE 19 -14.312 30.735 7.856 862 HG13 ILE 19 HG13 ILE 19 -12.642 30.233 7.594 863 HG21 ILE 19 HG21 ILE 19 -15.605 27.435 8.828 864 HG22 ILE 19 HG22 ILE 19 -15.465 27.801 7.109 865 HG23 ILE 19 HG23 ILE 19 -16.039 29.037 8.230 866 HD11 ILE 19 HD11 ILE 19 -13.626 30.480 5.420 867 HD12 ILE 19 HD12 ILE 19 -15.056 29.564 5.895 868 HD13 ILE 19 HD13 ILE 19 -13.503 28.746 5.720 869 H PHE 20 H PHE 20 -12.344 26.889 9.407 870 HA PHE 20 HA PHE 20 -13.714 24.866 10.600 871 HB2 PHE 20 HB2 PHE 20 -10.712 25.244 10.702 872 HB3 PHE 20 HB3 PHE 20 -11.567 23.717 10.911 873 HD1 PHE 20 HD1 PHE 20 -13.074 22.899 9.009 874 HD2 PHE 20 HD2 PHE 20 -10.180 26.038 8.530 875 HE1 PHE 20 HE1 PHE 20 -13.128 22.573 6.551 876 HE2 PHE 20 HE2 PHE 20 -10.241 25.718 6.071 877 HZ PHE 20 HZ PHE 20 -11.713 23.984 5.082 878 H LYS 21 H LYS 21 -11.117 26.658 12.281 879 HA LYS 21 HA LYS 21 -11.273 25.570 14.759 880 HB2 LYS 21 HB2 LYS 21 -10.917 28.488 14.050 881 HB3 LYS 21 HB3 LYS 21 -10.614 27.823 15.655 882 HG2 LYS 21 HG2 LYS 21 -8.909 26.332 14.771 883 HG3 LYS 21 HG3 LYS 21 -9.283 26.825 13.119 884 HD2 LYS 21 HD2 LYS 21 -8.465 29.045 13.502 885 HD3 LYS 21 HD3 LYS 21 -8.373 28.780 15.244 886 HE2 LYS 21 HE2 LYS 21 -6.611 27.102 14.917 887 HE3 LYS 21 HE3 LYS 21 -6.723 27.306 13.169 888 HZ1 LYS 21 HZ1 LYS 21 -5.056 28.754 13.584 889 HZ2 LYS 21 HZ2 LYS 21 -5.556 29.068 15.178 890 HZ3 LYS 21 HZ3 LYS 21 -6.351 29.813 13.874 891 H ALA 22 H ALA 22 -13.530 27.919 13.400 892 HA ALA 22 HA ALA 22 -14.881 28.581 15.771 893 HB1 ALA 22 HB1 ALA 22 -16.594 29.488 14.365 894 HB2 ALA 22 HB2 ALA 22 -16.119 28.455 13.017 895 HB3 ALA 22 HB3 ALA 22 -15.057 29.760 13.545 896 H LEU 23 H LEU 23 -15.082 25.751 13.758 897 HA LEU 23 HA LEU 23 -17.672 24.923 14.719 898 HB2 LEU 23 HB2 LEU 23 -15.519 23.608 13.066 899 HB3 LEU 23 HB3 LEU 23 -16.924 22.702 13.619 900 HG LEU 23 HG LEU 23 -18.414 24.335 12.526 901 HD11 LEU 23 HD11 LEU 23 -15.783 25.645 11.834 902 HD12 LEU 23 HD12 LEU 23 -17.209 26.372 12.575 903 HD13 LEU 23 HD13 LEU 23 -17.232 25.929 10.871 904 HD21 LEU 23 HD21 LEU 23 -16.263 23.348 10.631 905 HD22 LEU 23 HD22 LEU 23 -17.953 23.665 10.239 906 HD23 LEU 23 HD23 LEU 23 -17.532 22.324 11.305 907 H GLY 24 H GLY 24 -14.791 25.144 16.276 908 HA2 GLY 24 HA2 GLY 24 -14.508 22.629 17.534 909 HA3 GLY 24 HA3 GLY 24 -13.894 24.161 18.148 910 H ASP 25 H ASP 25 -14.490 23.241 20.262 911 HA ASP 25 HA ASP 25 -15.863 23.066 22.096 912 HB2 ASP 25 HB2 ASP 25 -17.375 25.158 20.518 913 HB3 ASP 25 HB3 ASP 25 -17.716 24.743 22.197 914 H TYR 26 H TYR 26 -16.786 21.116 22.256 915 HA TYR 26 HA TYR 26 -18.488 19.901 20.410 916 HB2 TYR 26 HB2 TYR 26 -19.042 18.333 22.220 917 HB3 TYR 26 HB3 TYR 26 -17.312 18.672 22.187 918 HD1 TYR 26 HD2 TYR 26 -16.304 20.223 23.858 919 HD2 TYR 26 HD1 TYR 26 -20.426 19.031 24.057 920 HE1 TYR 26 HE2 TYR 26 -16.420 21.013 26.207 921 HE2 TYR 26 HE1 TYR 26 -20.542 19.824 26.404 922 HH TYR 26 HH TYR 26 -18.620 21.865 27.752 923 H ASN 27 H ASN 27 -19.139 22.375 22.691 924 HA ASN 27 HA ASN 27 -21.966 21.827 22.963 925 HB2 ASN 27 HB2 ASN 27 -20.713 22.896 24.780 926 HB3 ASN 27 HB3 ASN 27 -20.330 24.256 23.727 927 HD21 ASN 27 HD21 ASN 27 -21.539 25.549 25.452 928 HD22 ASN 27 HD22 ASN 27 -23.232 25.623 25.351 929 H ARG 28 H ARG 28 -19.958 24.164 21.189 930 HA ARG 28 HA ARG 28 -22.181 25.613 20.137 931 HB2 ARG 28 HB2 ARG 28 -19.299 25.487 19.221 932 HB3 ARG 28 HB3 ARG 28 -20.493 26.652 18.649 933 HG2 ARG 28 HG2 ARG 28 -20.840 27.294 21.096 934 HG3 ARG 28 HG3 ARG 28 -19.393 26.352 21.450 935 HD2 ARG 28 HD2 ARG 28 -19.576 28.715 19.560 936 HD3 ARG 28 HD3 ARG 28 -18.786 28.699 21.134 937 HE ARG 28 HE ARG 28 -17.666 26.658 19.542 938 HH11 ARG 28 HH21 ARG 28 -17.898 30.103 19.749 939 HH12 ARG 28 HH22 ARG 28 -16.350 30.390 19.028 940 HH21 ARG 28 HH11 ARG 28 -15.635 27.023 18.595 941 HH22 ARG 28 HH12 ARG 28 -15.069 28.645 18.371 942 H ILE 29 H ILE 29 -20.262 22.891 18.996 943 HA ILE 29 HA ILE 29 -21.243 22.973 16.315 944 HB ILE 29 HB ILE 29 -19.106 21.879 16.981 945 HG12 ILE 29 HG12 ILE 29 -21.080 19.948 15.729 946 HG13 ILE 29 HG13 ILE 29 -20.366 21.312 14.868 947 HG21 ILE 29 HG21 ILE 29 -19.101 19.799 18.150 948 HG22 ILE 29 HG22 ILE 29 -20.851 19.634 18.011 949 HG23 ILE 29 HG23 ILE 29 -20.164 20.857 19.079 950 HD11 ILE 29 HD11 ILE 29 -18.863 19.002 16.137 951 HD12 ILE 29 HD12 ILE 29 -18.101 20.401 15.380 952 HD13 ILE 29 HD13 ILE 29 -19.068 19.291 14.410 953 H ARG 30 H ARG 30 -22.328 21.400 19.281 954 HA ARG 30 HA ARG 30 -24.105 19.561 18.046 955 HB2 ARG 30 HB2 ARG 30 -23.285 19.388 20.399 956 HB3 ARG 30 HB3 ARG 30 -24.296 20.773 20.814 957 HG2 ARG 30 HG2 ARG 30 -26.303 19.553 20.127 958 HG3 ARG 30 HG3 ARG 30 -25.319 18.185 19.606 959 HD2 ARG 30 HD2 ARG 30 -25.369 19.251 22.442 960 HD3 ARG 30 HD3 ARG 30 -26.341 17.891 21.885 961 HE ARG 30 HE ARG 30 -23.740 17.272 21.179 962 HH11 ARG 30 HH21 ARG 30 -25.509 18.032 24.055 963 HH12 ARG 30 HH22 ARG 30 -24.496 17.086 25.094 964 HH21 ARG 30 HH11 ARG 30 -22.400 16.041 22.536 965 HH22 ARG 30 HH12 ARG 30 -22.729 15.965 24.234 966 H ILE 31 H ILE 31 -24.352 22.932 18.951 967 HA ILE 31 HA ILE 31 -27.199 23.113 18.790 968 HB ILE 31 HB ILE 31 -25.063 25.244 18.526 969 HG12 ILE 31 HG12 ILE 31 -26.851 24.573 20.876 970 HG13 ILE 31 HG13 ILE 31 -25.217 23.934 20.699 971 HG21 ILE 31 HG21 ILE 31 -27.065 26.107 17.539 972 HG22 ILE 31 HG22 ILE 31 -27.028 26.738 19.185 973 HG23 ILE 31 HG23 ILE 31 -28.075 25.377 18.787 974 HD11 ILE 31 HD11 ILE 31 -24.391 26.306 20.509 975 HD12 ILE 31 HD12 ILE 31 -25.101 25.925 22.078 976 HD13 ILE 31 HD13 ILE 31 -26.023 26.850 20.894 977 H MET 32 H MET 32 -24.581 24.025 16.544 978 HA MET 32 HA MET 32 -26.031 24.989 14.422 979 HB2 MET 32 HB2 MET 32 -23.501 24.730 14.618 980 HB3 MET 32 HB3 MET 32 -23.726 23.071 14.060 981 HG2 MET 32 HG2 MET 32 -25.041 24.096 12.094 982 HG3 MET 32 HG3 MET 32 -24.341 25.637 12.590 983 HE1 MET 32 HE1 MET 32 -21.689 25.584 13.381 984 HE2 MET 32 HE2 MET 32 -22.148 26.474 11.929 985 HE3 MET 32 HE3 MET 32 -20.692 25.480 11.928 986 H GLU 33 H GLU 33 -25.574 21.631 15.384 987 HA GLU 33 HA GLU 33 -26.788 20.507 13.048 988 HB2 GLU 33 HB2 GLU 33 -25.217 19.219 14.417 989 HB3 GLU 33 HB3 GLU 33 -26.318 19.316 15.791 990 HG2 GLU 33 HG2 GLU 33 -27.985 18.012 14.646 991 HG3 GLU 33 HG3 GLU 33 -27.091 18.098 13.130 992 H LEU 34 H LEU 34 -27.962 21.622 16.155 993 HA LEU 34 HA LEU 34 -30.505 20.332 15.986 994 HB2 LEU 34 HB2 LEU 34 -29.637 20.975 18.146 995 HB3 LEU 34 HB3 LEU 34 -29.514 22.659 17.647 996 HG LEU 34 HG LEU 34 -31.925 22.860 17.509 997 HD11 LEU 34 HD11 LEU 34 -32.691 20.789 16.672 998 HD12 LEU 34 HD12 LEU 34 -33.292 20.807 18.327 999 HD13 LEU 34 HD13 LEU 34 -31.852 19.871 17.923 1000 HD21 LEU 34 HD21 LEU 34 -31.022 23.205 19.716 1001 HD22 LEU 34 HD22 LEU 34 -30.959 21.469 20.019 1002 HD23 LEU 34 HD23 LEU 34 -32.517 22.285 19.895 1003 H LEU 35 H LEU 35 -29.352 23.625 15.285 1004 HA LEU 35 HA LEU 35 -31.938 24.550 14.434 1005 HB2 LEU 35 HB2 LEU 35 -29.137 25.658 14.247 1006 HB3 LEU 35 HB3 LEU 35 -30.488 26.458 13.448 1007 HG LEU 35 HG LEU 35 -31.682 26.536 15.645 1008 HD11 LEU 35 HD11 LEU 35 -29.069 25.332 16.568 1009 HD12 LEU 35 HD12 LEU 35 -30.708 24.768 16.894 1010 HD13 LEU 35 HD13 LEU 35 -30.111 26.235 17.666 1011 HD21 LEU 35 HD21 LEU 35 -30.335 28.370 16.549 1012 HD22 LEU 35 HD22 LEU 35 -30.334 28.443 14.787 1013 HD23 LEU 35 HD23 LEU 35 -28.929 27.809 15.644 1014 H SER 36 H SER 36 -29.421 22.720 13.002 1015 HA SER 36 HA SER 36 -29.733 23.446 10.287 1016 HB2 SER 36 HB2 SER 36 -27.818 22.134 11.067 1017 HB3 SER 36 HB3 SER 36 -28.888 20.800 11.494 1018 HG SER 36 HG SER 36 -27.858 21.487 9.090 1019 H VAL 37 H VAL 37 -31.090 20.676 12.089 1020 HA VAL 37 HA VAL 37 -32.751 19.785 9.979 1021 HB VAL 37 HB VAL 37 -33.169 19.369 12.948 1022 HG11 VAL 37 HG11 VAL 37 -35.069 18.668 11.593 1023 HG12 VAL 37 HG12 VAL 37 -34.195 17.235 12.133 1024 HG13 VAL 37 HG13 VAL 37 -34.000 17.815 10.479 1025 HG21 VAL 37 HG21 VAL 37 -30.858 18.797 12.233 1026 HG22 VAL 37 HG22 VAL 37 -31.523 17.759 10.972 1027 HG23 VAL 37 HG23 VAL 37 -31.783 17.361 12.669 1028 H SER 38 H SER 38 -33.274 22.034 12.651 1029 HA SER 38 HA SER 38 -35.453 23.295 11.274 1030 HB2 SER 38 HB2 SER 38 -36.077 21.718 13.784 1031 HB3 SER 38 HB3 SER 38 -37.180 22.829 12.974 1032 HG SER 38 HG SER 38 -37.519 20.666 12.329 1033 H GLU 39 H GLU 39 -35.505 25.375 11.851 1034 HA GLU 39 HA GLU 39 -33.706 26.409 13.790 1035 HB2 GLU 39 HB2 GLU 39 -34.872 28.582 13.346 1036 HB3 GLU 39 HB3 GLU 39 -34.272 27.780 11.899 1037 HG2 GLU 39 HG2 GLU 39 -37.106 27.322 12.841 1038 HG3 GLU 39 HG3 GLU 39 -36.700 28.743 11.887 1039 H ALA 40 H ALA 40 -34.205 27.603 15.710 1040 HA ALA 40 HA ALA 40 -36.847 27.368 16.890 1041 HB1 ALA 40 HB1 ALA 40 -34.493 25.907 18.114 1042 HB2 ALA 40 HB2 ALA 40 -35.886 25.145 17.348 1043 HB3 ALA 40 HB3 ALA 40 -36.095 26.071 18.833 1044 H SER 41 H SER 41 -36.833 28.297 19.163 1045 HA SER 41 HA SER 41 -35.280 30.762 19.133 1046 HB2 SER 41 HB2 SER 41 -36.768 31.536 20.790 1047 HB3 SER 41 HB3 SER 41 -37.773 30.547 19.733 1048 HG SER 41 HG SER 41 -38.249 29.657 21.598 1049 H VAL 42 H VAL 42 -34.063 31.492 20.966 1050 HA VAL 42 HA VAL 42 -32.074 29.819 21.834 1051 HB VAL 42 HB VAL 42 -31.646 31.469 23.626 1052 HG11 VAL 42 HG11 VAL 42 -30.970 31.889 21.261 1053 HG12 VAL 42 HG12 VAL 42 -31.316 33.379 22.139 1054 HG13 VAL 42 HG13 VAL 42 -32.499 32.730 21.004 1055 HG21 VAL 42 HG21 VAL 42 -33.238 33.473 23.631 1056 HG22 VAL 42 HG22 VAL 42 -33.837 32.004 24.403 1057 HG23 VAL 42 HG23 VAL 42 -34.384 32.435 22.782 1058 H GLY 43 H GLY 43 -35.127 30.539 23.513 1059 HA2 GLY 43 HA2 GLY 43 -34.521 29.120 25.870 1060 HA3 GLY 43 HA3 GLY 43 -36.134 29.574 25.336 1061 H HIS 44 H HIS 44 -36.126 28.108 22.879 1062 HA HIS 44 HA HIS 44 -37.063 25.621 23.857 1063 HB2 HIS 44 HB2 HIS 44 -36.514 26.635 21.066 1064 HB3 HIS 44 HB3 HIS 44 -37.221 25.052 21.389 1065 HD1 HIS 44 HD1 HIS 44 -38.350 28.193 20.434 1066 HD2 HIS 44 HD2 HIS 44 -39.507 25.653 23.531 1067 HE1 HIS 44 HE1 HIS 44 -40.690 28.893 21.095 1068 HE2 HIS 44 HE2 HIS 44 -41.410 27.359 22.985 1069 H ILE 45 H ILE 45 -34.033 26.610 22.401 1070 HA ILE 45 HA ILE 45 -33.074 23.885 22.083 1071 HB ILE 45 HB ILE 45 -30.925 24.985 21.466 1072 HG12 ILE 45 HG12 ILE 45 -32.503 27.532 21.892 1073 HG13 ILE 45 HG13 ILE 45 -31.225 26.967 22.967 1074 HG21 ILE 45 HG21 ILE 45 -33.246 26.318 20.053 1075 HG22 ILE 45 HG22 ILE 45 -32.901 24.601 19.863 1076 HG23 ILE 45 HG23 ILE 45 -31.707 25.798 19.367 1077 HD11 ILE 45 HD11 ILE 45 -30.986 27.855 20.087 1078 HD12 ILE 45 HD12 ILE 45 -29.721 26.915 20.880 1079 HD13 ILE 45 HD13 ILE 45 -30.157 28.509 21.499 1080 H SER 46 H SER 46 -33.283 26.107 24.639 1081 HA SER 46 HA SER 46 -30.985 25.733 26.124 1082 HB2 SER 46 HB2 SER 46 -33.793 25.774 27.252 1083 HB3 SER 46 HB3 SER 46 -32.308 26.241 28.081 1084 HG SER 46 HG SER 46 -33.518 28.020 27.204 1085 H HIS 47 H HIS 47 -33.592 23.493 25.507 1086 HA HIS 47 HA HIS 47 -33.275 21.637 27.542 1087 HB2 HIS 47 HB2 HIS 47 -33.904 21.227 24.611 1088 HB3 HIS 47 HB3 HIS 47 -34.001 19.941 25.814 1089 HD1 HIS 47 HD1 HIS 47 -34.897 23.177 27.230 1090 HD2 HIS 47 HD2 HIS 47 -36.920 20.156 25.189 1091 HE1 HIS 47 HE1 HIS 47 -37.363 23.570 27.634 1092 HE2 HIS 47 HE2 HIS 47 -38.613 21.738 26.398 1093 H GLN 48 H GLN 48 -30.989 22.658 25.311 1094 HA GLN 48 HA GLN 48 -29.389 20.184 25.391 1095 HB2 GLN 48 HB2 GLN 48 -28.994 22.817 23.948 1096 HB3 GLN 48 HB3 GLN 48 -27.873 21.459 23.876 1097 HG2 GLN 48 HG2 GLN 48 -30.799 21.156 23.178 1098 HG3 GLN 48 HG3 GLN 48 -29.598 21.631 21.979 1099 HE21 GLN 48 HE21 GLN 48 -28.023 20.030 21.304 1100 HE22 GLN 48 HE22 GLN 48 -28.179 18.393 21.723 1101 H LEU 49 H LEU 49 -29.057 23.659 26.122 1102 HA LEU 49 HA LEU 49 -26.697 23.170 27.770 1103 HB2 LEU 49 HB2 LEU 49 -28.189 25.630 26.865 1104 HB3 LEU 49 HB3 LEU 49 -26.952 25.725 28.116 1105 HG LEU 49 HG LEU 49 -25.319 24.693 26.573 1106 HD11 LEU 49 HD11 LEU 49 -27.710 24.689 24.726 1107 HD12 LEU 49 HD12 LEU 49 -26.632 23.351 25.126 1108 HD13 LEU 49 HD13 LEU 49 -26.061 24.664 24.100 1109 HD21 LEU 49 HD21 LEU 49 -24.975 26.643 25.220 1110 HD22 LEU 49 HD22 LEU 49 -25.739 27.200 26.709 1111 HD23 LEU 49 HD23 LEU 49 -26.694 27.035 25.235 1112 H ASN 50 H ASN 50 -29.742 24.947 28.309 1113 HA ASN 50 HA ASN 50 -31.110 25.120 30.132 1114 HB2 ASN 50 HB2 ASN 50 -30.898 22.554 29.995 1115 HB3 ASN 50 HB3 ASN 50 -29.752 22.704 31.324 1116 HD21 ASN 50 HD21 ASN 50 -32.997 24.095 30.523 1117 HD22 ASN 50 HD22 ASN 50 -33.638 23.839 32.073 1118 H LEU 51 H LEU 51 -28.361 26.267 30.026 1119 HA LEU 51 HA LEU 51 -27.613 26.435 32.866 1120 HB2 LEU 51 HB2 LEU 51 -26.359 27.277 30.271 1121 HB3 LEU 51 HB3 LEU 51 -25.858 28.084 31.749 1122 HG LEU 51 HG LEU 51 -24.419 26.153 31.141 1123 HD11 LEU 51 HD11 LEU 51 -24.058 25.508 33.311 1124 HD12 LEU 51 HD12 LEU 51 -25.763 25.294 33.678 1125 HD13 LEU 51 HD13 LEU 51 -25.071 26.912 33.612 1126 HD21 LEU 51 HD21 LEU 51 -25.269 23.885 31.319 1127 HD22 LEU 51 HD22 LEU 51 -26.220 24.780 30.134 1128 HD23 LEU 51 HD23 LEU 51 -26.871 24.483 31.747 1129 H SER 52 H SER 52 -28.017 28.867 30.280 1130 HA SER 52 HA SER 52 -29.980 30.321 31.773 1131 HB2 SER 52 HB2 SER 52 -27.167 31.418 31.576 1132 HB3 SER 52 HB3 SER 52 -28.577 32.431 31.887 1133 HG SER 52 HG SER 52 -28.327 31.861 33.879 1134 H GLN 53 H GLN 53 -31.253 31.414 30.316 1135 HA GLN 53 HA GLN 53 -30.900 31.160 27.574 1136 HB2 GLN 53 HB2 GLN 53 -32.464 33.166 29.204 1137 HB3 GLN 53 HB3 GLN 53 -32.550 33.089 27.444 1138 HG2 GLN 53 HG2 GLN 53 -33.201 30.683 27.626 1139 HG3 GLN 53 HG3 GLN 53 -33.225 30.855 29.380 1140 HE21 GLN 53 HE21 GLN 53 -34.690 32.809 30.140 1141 HE22 GLN 53 HE22 GLN 53 -36.165 32.984 29.319 1142 H SER 54 H SER 54 -29.440 33.367 29.785 1143 HA SER 54 HA SER 54 -28.730 35.351 27.796 1144 HB2 SER 54 HB2 SER 54 -27.450 36.376 29.625 1145 HB3 SER 54 HB3 SER 54 -29.088 35.989 30.149 1146 HG SER 54 HG SER 54 -28.046 35.013 31.700 1147 H ASN 55 H ASN 55 -27.389 32.435 29.102 1148 HA ASN 55 HA ASN 55 -24.673 32.964 28.309 1149 HB2 ASN 55 HB2 ASN 55 -25.141 31.441 30.159 1150 HB3 ASN 55 HB3 ASN 55 -26.060 30.387 29.086 1151 HD21 ASN 55 HD21 ASN 55 -24.877 28.994 27.644 1152 HD22 ASN 55 HD22 ASN 55 -23.187 28.842 27.714 1153 H VAL 56 H VAL 56 -27.360 31.030 27.011 1154 HA VAL 56 HA VAL 56 -25.908 29.981 24.807 1155 HB VAL 56 HB VAL 56 -28.001 28.969 25.628 1156 HG11 VAL 56 HG11 VAL 56 -29.084 31.221 26.093 1157 HG12 VAL 56 HG12 VAL 56 -30.126 30.038 25.302 1158 HG13 VAL 56 HG13 VAL 56 -29.396 31.339 24.362 1159 HG21 VAL 56 HG21 VAL 56 -28.888 28.416 23.482 1160 HG22 VAL 56 HG22 VAL 56 -27.184 28.777 23.207 1161 HG23 VAL 56 HG23 VAL 56 -28.415 29.974 22.805 1162 H SER 57 H SER 57 -27.905 32.871 25.240 1163 HA SER 57 HA SER 57 -28.066 33.682 22.559 1164 HB2 SER 57 HB2 SER 57 -27.915 35.377 25.065 1165 HB3 SER 57 HB3 SER 57 -28.424 35.953 23.479 1166 HG SER 57 HG SER 57 -29.780 33.749 24.009 1167 H HIS 58 H HIS 58 -25.897 35.074 25.018 1168 HA HIS 58 HA HIS 58 -24.240 36.578 23.507 1169 HB2 HIS 58 HB2 HIS 58 -24.044 36.259 25.968 1170 HB3 HIS 58 HB3 HIS 58 -23.257 34.708 25.673 1171 HD1 HIS 58 HD1 HIS 58 -20.810 34.737 24.960 1172 HD2 HIS 58 HD2 HIS 58 -22.490 38.552 25.085 1173 HE1 HIS 58 HE1 HIS 58 -18.896 36.371 24.694 1174 HE2 HIS 58 HE2 HIS 58 -19.901 38.700 24.769 1175 H GLN 59 H GLN 59 -24.289 33.073 23.591 1176 HA GLN 59 HA GLN 59 -21.808 32.688 22.228 1177 HB2 GLN 59 HB2 GLN 59 -23.054 30.962 23.620 1178 HB3 GLN 59 HB3 GLN 59 -24.146 30.776 22.247 1179 HG2 GLN 59 HG2 GLN 59 -22.475 29.097 21.968 1180 HG3 GLN 59 HG3 GLN 59 -22.067 30.372 20.822 1181 HE21 GLN 59 HE21 GLN 59 -20.068 31.483 21.115 1182 HE22 GLN 59 HE22 GLN 59 -18.983 31.124 22.370 1183 H LEU 60 H LEU 60 -25.200 32.411 21.118 1184 HA LEU 60 HA LEU 60 -24.676 31.958 18.421 1185 HB2 LEU 60 HB2 LEU 60 -26.970 33.572 19.558 1186 HB3 LEU 60 HB3 LEU 60 -26.940 32.758 17.998 1187 HG LEU 60 HG LEU 60 -26.569 31.283 20.617 1188 HD11 LEU 60 HD11 LEU 60 -28.953 30.665 20.440 1189 HD12 LEU 60 HD12 LEU 60 -29.123 31.731 19.046 1190 HD13 LEU 60 HD13 LEU 60 -28.757 32.407 20.634 1191 HD21 LEU 60 HD21 LEU 60 -27.172 30.454 17.768 1192 HD22 LEU 60 HD22 LEU 60 -27.440 29.382 19.140 1193 HD23 LEU 60 HD23 LEU 60 -25.816 29.957 18.779 1194 H LYS 61 H LYS 61 -24.559 34.917 20.267 1195 HA LYS 61 HA LYS 61 -24.620 36.737 18.090 1196 HB2 LYS 61 HB2 LYS 61 -24.978 37.288 20.534 1197 HB3 LYS 61 HB3 LYS 61 -23.232 37.151 20.742 1198 HG2 LYS 61 HG2 LYS 61 -22.940 38.867 18.936 1199 HG3 LYS 61 HG3 LYS 61 -24.691 39.071 18.903 1200 HD2 LYS 61 HD2 LYS 61 -24.681 39.742 21.261 1201 HD3 LYS 61 HD3 LYS 61 -22.939 39.477 21.346 1202 HE2 LYS 61 HE2 LYS 61 -24.347 41.496 19.572 1203 HE3 LYS 61 HE3 LYS 61 -23.419 41.865 21.026 1204 HZ1 LYS 61 HZ1 LYS 61 -21.682 42.031 19.670 1205 HZ2 LYS 61 HZ2 LYS 61 -22.502 41.303 18.373 1206 HZ3 LYS 61 HZ3 LYS 61 -21.729 40.340 19.538 1207 H LEU 62 H LEU 62 -22.037 34.949 19.674 1208 HA LEU 62 HA LEU 62 -19.879 36.348 18.476 1209 HB2 LEU 62 HB2 LEU 62 -20.061 34.566 20.483 1210 HB3 LEU 62 HB3 LEU 62 -19.577 33.451 19.215 1211 HG LEU 62 HG LEU 62 -18.094 35.951 20.083 1212 HD11 LEU 62 HD11 LEU 62 -16.334 34.192 20.640 1213 HD12 LEU 62 HD12 LEU 62 -17.599 32.985 20.411 1214 HD13 LEU 62 HD13 LEU 62 -17.760 34.202 21.677 1215 HD21 LEU 62 HD21 LEU 62 -17.672 34.024 17.796 1216 HD22 LEU 62 HD22 LEU 62 -16.320 34.914 18.495 1217 HD23 LEU 62 HD23 LEU 62 -17.665 35.789 17.771 1218 H LEU 63 H LEU 63 -21.888 33.662 17.468 1219 HA LEU 63 HA LEU 63 -20.264 32.815 15.284 1220 HB2 LEU 63 HB2 LEU 63 -23.254 32.472 15.441 1221 HB3 LEU 63 HB3 LEU 63 -22.062 31.407 14.696 1222 HG LEU 63 HG LEU 63 -22.403 31.940 17.662 1223 HD11 LEU 63 HD11 LEU 63 -24.050 30.402 16.531 1224 HD12 LEU 63 HD12 LEU 63 -23.078 29.621 17.778 1225 HD13 LEU 63 HD13 LEU 63 -22.691 29.375 16.075 1226 HD21 LEU 63 HD21 LEU 63 -20.313 30.417 16.095 1227 HD22 LEU 63 HD22 LEU 63 -20.641 30.074 17.794 1228 HD23 LEU 63 HD23 LEU 63 -20.061 31.667 17.314 1229 H LYS 64 H LYS 64 -22.600 35.361 15.703 1230 HA LYS 64 HA LYS 64 -23.232 35.755 12.956 1231 HB2 LYS 64 HB2 LYS 64 -23.400 37.577 15.363 1232 HB3 LYS 64 HB3 LYS 64 -23.985 38.027 13.762 1233 HG2 LYS 64 HG2 LYS 64 -25.513 36.109 13.755 1234 HG3 LYS 64 HG3 LYS 64 -24.895 35.590 15.324 1235 HD2 LYS 64 HD2 LYS 64 -25.602 37.852 16.231 1236 HD3 LYS 64 HD3 LYS 64 -26.427 38.127 14.696 1237 HE2 LYS 64 HE2 LYS 64 -27.715 36.011 15.069 1238 HE3 LYS 64 HE3 LYS 64 -26.964 35.879 16.659 1239 HZ1 LYS 64 HZ1 LYS 64 -27.879 38.072 17.200 1240 HZ2 LYS 64 HZ2 LYS 64 -29.097 36.943 16.845 1241 HZ3 LYS 64 HZ3 LYS 64 -28.663 38.115 15.694 1242 H SER 65 H SER 65 -20.596 36.782 14.997 1243 HA SER 65 HA SER 65 -19.715 38.980 13.444 1244 HB2 SER 65 HB2 SER 65 -17.947 37.204 15.129 1245 HB3 SER 65 HB3 SER 65 -17.732 38.915 14.760 1246 HG SER 65 HG SER 65 -20.053 38.857 15.805 1247 H VAL 66 H VAL 66 -18.878 35.534 13.390 1248 HA VAL 66 HA VAL 66 -16.823 35.857 11.420 1249 HB VAL 66 HB VAL 66 -16.983 33.327 11.307 1250 HG11 VAL 66 HG11 VAL 66 -16.028 33.045 13.556 1251 HG12 VAL 66 HG12 VAL 66 -16.706 34.595 14.052 1252 HG13 VAL 66 HG13 VAL 66 -15.439 34.539 12.827 1253 HG21 VAL 66 HG21 VAL 66 -18.396 32.203 12.912 1254 HG22 VAL 66 HG22 VAL 66 -19.419 33.296 11.981 1255 HG23 VAL 66 HG23 VAL 66 -18.910 33.739 13.610 1256 H HIS 67 H HIS 67 -19.800 36.615 10.933 1257 HA HIS 67 HA HIS 67 -21.082 36.855 9.059 1258 HB2 HIS 67 HB2 HIS 67 -19.111 35.238 7.458 1259 HB3 HIS 67 HB3 HIS 67 -20.135 36.573 6.938 1260 HD1 HIS 67 HD1 HIS 67 -16.952 35.840 8.805 1261 HD2 HIS 67 HD2 HIS 67 -19.115 39.159 7.508 1262 HE1 HIS 67 HE1 HIS 67 -15.447 37.847 9.133 1263 HE2 HIS 67 HE2 HIS 67 -16.749 39.880 8.349 1264 H LEU 68 H LEU 68 -20.751 34.174 10.731 1265 HA LEU 68 HA LEU 68 -22.451 32.490 8.968 1266 HB2 LEU 68 HB2 LEU 68 -21.007 31.637 11.480 1267 HB3 LEU 68 HB3 LEU 68 -21.752 30.610 10.255 1268 HG LEU 68 HG LEU 68 -19.365 32.426 9.810 1269 HD11 LEU 68 HD11 LEU 68 -18.196 30.197 9.499 1270 HD12 LEU 68 HD12 LEU 68 -19.636 29.433 10.170 1271 HD13 LEU 68 HD13 LEU 68 -18.693 30.553 11.154 1272 HD21 LEU 68 HD21 LEU 68 -20.960 30.604 8.006 1273 HD22 LEU 68 HD22 LEU 68 -19.277 30.992 7.650 1274 HD23 LEU 68 HD23 LEU 68 -20.477 32.277 7.731 1275 H VAL 69 H VAL 69 -24.308 31.529 9.868 1276 HA VAL 69 HA VAL 69 -26.240 31.490 11.086 1277 HB VAL 69 HB VAL 69 -24.670 32.672 13.379 1278 HG11 VAL 69 HG11 VAL 69 -26.994 30.726 13.266 1279 HG12 VAL 69 HG12 VAL 69 -27.145 32.452 13.598 1280 HG13 VAL 69 HG13 VAL 69 -26.273 31.411 14.723 1281 HG21 VAL 69 HG21 VAL 69 -24.132 30.327 13.987 1282 HG22 VAL 69 HG22 VAL 69 -23.393 30.784 12.454 1283 HG23 VAL 69 HG23 VAL 69 -24.844 29.782 12.469 1284 H LYS 70 H LYS 70 -27.978 32.803 11.387 1285 HA LYS 70 HA LYS 70 -27.739 35.602 11.982 1286 HB2 LYS 70 HB2 LYS 70 -28.773 36.309 9.765 1287 HB3 LYS 70 HB3 LYS 70 -27.071 35.851 9.709 1288 HG2 LYS 70 HG2 LYS 70 -27.679 33.607 8.920 1289 HG3 LYS 70 HG3 LYS 70 -29.390 34.018 9.027 1290 HD2 LYS 70 HD2 LYS 70 -28.936 35.912 7.407 1291 HD3 LYS 70 HD3 LYS 70 -27.323 35.237 7.181 1292 HE2 LYS 70 HE2 LYS 70 -28.336 33.087 6.477 1293 HE3 LYS 70 HE3 LYS 70 -29.940 33.793 6.664 1294 HZ1 LYS 70 HZ1 LYS 70 -28.102 35.328 5.040 1295 HZ2 LYS 70 HZ2 LYS 70 -29.740 34.961 4.779 1296 HZ3 LYS 70 HZ3 LYS 70 -28.541 33.824 4.386 1297 H ALA 71 H ALA 71 -29.607 36.344 12.807 1298 HA ALA 71 HA ALA 71 -31.978 34.573 12.725 1299 HB1 ALA 71 HB1 ALA 71 -31.181 35.042 14.958 1300 HB2 ALA 71 HB2 ALA 71 -32.689 35.922 14.707 1301 HB3 ALA 71 HB3 ALA 71 -31.147 36.774 14.628 1302 H LYS 72 H LYS 72 -34.095 35.824 12.919 1303 HA LYS 72 HA LYS 72 -34.136 38.389 11.497 1304 HB2 LYS 72 HB2 LYS 72 -35.726 37.585 9.827 1305 HB3 LYS 72 HB3 LYS 72 -34.223 36.669 9.715 1306 HG2 LYS 72 HG2 LYS 72 -35.323 34.956 11.267 1307 HG3 LYS 72 HG3 LYS 72 -36.839 35.803 10.961 1308 HD2 LYS 72 HD2 LYS 72 -35.040 34.615 8.826 1309 HD3 LYS 72 HD3 LYS 72 -36.534 33.886 9.417 1310 HE2 LYS 72 HE2 LYS 72 -37.660 36.120 8.758 1311 HE3 LYS 72 HE3 LYS 72 -36.190 36.435 7.836 1312 HZ1 LYS 72 HZ1 LYS 72 -38.042 34.139 7.524 1313 HZ2 LYS 72 HZ2 LYS 72 -36.538 34.254 6.744 1314 HZ3 LYS 72 HZ3 LYS 72 -37.757 35.387 6.409 1315 H ARG 73 H ARG 73 -36.311 39.340 11.477 1316 HA ARG 73 HA ARG 73 -37.668 38.830 14.020 1317 HB2 ARG 73 HB2 ARG 73 -38.934 40.931 13.335 1318 HB3 ARG 73 HB3 ARG 73 -37.204 41.126 13.614 1319 HG2 ARG 73 HG2 ARG 73 -36.734 41.136 11.267 1320 HG3 ARG 73 HG3 ARG 73 -38.363 40.588 10.870 1321 HD2 ARG 73 HD2 ARG 73 -39.302 42.689 11.697 1322 HD3 ARG 73 HD3 ARG 73 -37.704 43.233 12.197 1323 HE ARG 73 HE ARG 73 -37.482 42.676 9.497 1324 HH11 ARG 73 HH21 ARG 73 -39.411 44.692 11.542 1325 HH12 ARG 73 HH22 ARG 73 -39.622 45.934 10.353 1326 HH21 ARG 73 HH11 ARG 73 -37.749 44.303 7.933 1327 HH22 ARG 73 HH12 ARG 73 -38.678 45.716 8.311 1328 H GLN 74 H GLN 74 -39.805 38.280 14.222 1329 HA GLN 74 HA GLN 74 -41.447 37.816 11.835 1330 HB2 GLN 74 HB2 GLN 74 -40.097 35.716 12.327 1331 HB3 GLN 74 HB3 GLN 74 -40.998 35.601 13.839 1332 HG2 GLN 74 HG2 GLN 74 -42.176 34.255 12.241 1333 HG3 GLN 74 HG3 GLN 74 -43.122 35.728 12.447 1334 HE21 GLN 74 HE21 GLN 74 -40.747 34.165 10.260 1335 HE22 GLN 74 HE22 GLN 74 -41.190 35.064 8.890 1336 H GLY 75 H GLY 75 -43.117 39.082 12.383 1337 HA2 GLY 75 HA2 GLY 75 -44.926 39.905 13.540 1338 HA3 GLY 75 HA3 GLY 75 -45.006 38.316 14.293 1339 H GLN 76 H GLN 76 -44.194 38.016 16.336 1340 HA GLN 76 HA GLN 76 -42.981 40.334 17.737 1341 HB2 GLN 76 HB2 GLN 76 -44.406 39.632 19.722 1342 HB3 GLN 76 HB3 GLN 76 -45.269 40.415 18.399 1343 HG2 GLN 76 HG2 GLN 76 -45.011 37.408 18.566 1344 HG3 GLN 76 HG3 GLN 76 -46.316 38.272 19.375 1345 HE21 GLN 76 HE21 GLN 76 -45.731 36.608 16.592 1346 HE22 GLN 76 HE22 GLN 76 -46.792 37.415 15.542 1347 H SER 77 H SER 77 -42.314 37.450 16.653 1348 HA SER 77 HA SER 77 -40.788 36.608 19.058 1349 HB2 SER 77 HB2 SER 77 -42.610 35.040 18.792 1350 HB3 SER 77 HB3 SER 77 -42.266 34.868 17.072 1351 HG SER 77 HG SER 77 -40.026 34.420 18.414 1352 H MET 78 H MET 78 -38.705 36.186 18.736 1353 HA MET 78 HA MET 78 -37.602 36.439 15.996 1354 HB2 MET 78 HB2 MET 78 -36.345 36.815 18.724 1355 HB3 MET 78 HB3 MET 78 -35.457 36.880 17.201 1356 HG2 MET 78 HG2 MET 78 -36.017 39.148 17.784 1357 HG3 MET 78 HG3 MET 78 -37.074 38.681 16.451 1358 HE1 MET 78 HE1 MET 78 -37.173 40.400 19.970 1359 HE2 MET 78 HE2 MET 78 -36.462 38.791 20.077 1360 HE3 MET 78 HE3 MET 78 -37.995 39.129 20.879 1361 H ILE 79 H ILE 79 -36.199 34.906 15.194 1362 HA ILE 79 HA ILE 79 -35.667 32.481 16.801 1363 HB ILE 79 HB ILE 79 -36.207 31.142 14.721 1364 HG12 ILE 79 HG12 ILE 79 -37.718 33.651 13.944 1365 HG13 ILE 79 HG13 ILE 79 -36.181 33.180 13.217 1366 HG21 ILE 79 HG21 ILE 79 -38.440 32.683 16.078 1367 HG22 ILE 79 HG22 ILE 79 -37.711 31.184 16.654 1368 HG23 ILE 79 HG23 ILE 79 -38.655 31.191 15.164 1369 HD11 ILE 79 HD11 ILE 79 -38.767 31.597 13.183 1370 HD12 ILE 79 HD12 ILE 79 -37.222 30.978 12.600 1371 HD13 ILE 79 HD13 ILE 79 -37.977 32.359 11.803 1372 H TYR 80 H TYR 80 -33.943 31.184 15.949 1373 HA TYR 80 HA TYR 80 -31.959 32.757 14.392 1374 HB2 TYR 80 HB2 TYR 80 -31.628 30.630 16.515 1375 HB3 TYR 80 HB3 TYR 80 -30.302 31.250 15.533 1376 HD1 TYR 80 HD1 TYR 80 -33.106 32.413 17.731 1377 HD2 TYR 80 HD2 TYR 80 -29.148 33.180 16.246 1378 HE1 TYR 80 HE1 TYR 80 -32.909 34.356 19.259 1379 HE2 TYR 80 HE2 TYR 80 -28.950 35.119 17.777 1380 HH TYR 80 HH TYR 80 -31.536 35.907 20.091 1381 H SER 81 H SER 81 -30.934 31.832 12.685 1382 HA SER 81 HA SER 81 -31.394 29.016 12.009 1383 HB2 SER 81 HB2 SER 81 -33.251 29.925 10.859 1384 HB3 SER 81 HB3 SER 81 -32.352 31.361 10.373 1385 HG SER 81 HG SER 81 -32.659 29.605 8.767 1386 H LEU 82 H LEU 82 -30.196 28.575 9.833 1387 HA LEU 82 HA LEU 82 -27.929 30.264 9.281 1388 HB2 LEU 82 HB2 LEU 82 -26.230 28.576 9.964 1389 HB3 LEU 82 HB3 LEU 82 -27.085 29.324 11.300 1390 HG LEU 82 HG LEU 82 -28.700 27.189 10.992 1391 HD11 LEU 82 HD11 LEU 82 -26.019 26.265 9.919 1392 HD12 LEU 82 HD12 LEU 82 -27.588 26.134 9.129 1393 HD13 LEU 82 HD13 LEU 82 -27.243 25.176 10.561 1394 HD21 LEU 82 HD21 LEU 82 -26.043 27.247 12.433 1395 HD22 LEU 82 HD22 LEU 82 -27.257 25.991 12.680 1396 HD23 LEU 82 HD23 LEU 82 -27.626 27.667 13.084 1397 H ASP 83 H ASP 83 -29.845 27.453 8.765 1398 HA ASP 83 HA ASP 83 -28.383 26.123 6.794 1399 HB2 ASP 83 HB2 ASP 83 -30.581 25.221 6.061 1400 HB3 ASP 83 HB3 ASP 83 -30.353 25.130 7.806 1401 H ASP 84 H ASP 84 -27.441 27.351 5.233 1402 HA ASP 84 HA ASP 84 -29.192 28.969 3.456 1403 HB2 ASP 84 HB2 ASP 84 -27.175 30.128 2.763 1404 HB3 ASP 84 HB3 ASP 84 -27.311 30.202 4.518 1405 H ILE 85 H ILE 85 -28.453 25.972 3.665 1406 HA ILE 85 HA ILE 85 -28.169 24.229 2.207 1407 HB ILE 85 HB ILE 85 -28.270 26.228 -0.056 1408 HG12 ILE 85 HG12 ILE 85 -30.551 24.982 1.511 1409 HG13 ILE 85 HG13 ILE 85 -30.178 26.700 1.393 1410 HG21 ILE 85 HG21 ILE 85 -29.018 24.377 -1.350 1411 HG22 ILE 85 HG22 ILE 85 -29.343 23.403 0.083 1412 HG23 ILE 85 HG23 ILE 85 -27.681 23.744 -0.390 1413 HD11 ILE 85 HD11 ILE 85 -31.186 24.861 -0.781 1414 HD12 ILE 85 HD12 ILE 85 -30.460 26.426 -1.144 1415 HD13 ILE 85 HD13 ILE 85 -31.931 26.340 -0.174 1416 H HIS 86 H HIS 86 -25.965 24.960 3.398 1417 HA HIS 86 HA HIS 86 -23.885 24.304 1.531 1418 HB2 HIS 86 HB2 HIS 86 -24.069 27.099 2.664 1419 HB3 HIS 86 HB3 HIS 86 -22.522 26.401 2.191 1420 HD1 HIS 86 HD1 HIS 86 -24.652 28.679 0.819 1421 HD2 HIS 86 HD2 HIS 86 -23.246 25.043 -0.656 1422 HE1 HIS 86 HE1 HIS 86 -24.906 28.782 -1.696 1423 HE2 HIS 86 HE2 HIS 86 -24.046 26.577 -2.614 1424 H VAL 87 H VAL 87 -25.025 25.137 4.697 1425 HA VAL 87 HA VAL 87 -22.569 24.344 6.052 1426 HB VAL 87 HB VAL 87 -25.292 25.118 7.126 1427 HG11 VAL 87 HG11 VAL 87 -23.911 25.464 9.245 1428 HG12 VAL 87 HG12 VAL 87 -22.635 24.538 8.454 1429 HG13 VAL 87 HG13 VAL 87 -24.195 23.786 8.783 1430 HG21 VAL 87 HG21 VAL 87 -24.097 27.236 7.703 1431 HG22 VAL 87 HG22 VAL 87 -24.193 26.963 5.964 1432 HG23 VAL 87 HG23 VAL 87 -22.687 26.644 6.825 1433 H ALA 88 H ALA 88 -25.812 23.074 5.463 1434 HA ALA 88 HA ALA 88 -25.759 20.905 7.231 1435 HB1 ALA 88 HB1 ALA 88 -27.544 19.974 5.912 1436 HB2 ALA 88 HB2 ALA 88 -27.076 20.934 4.509 1437 HB3 ALA 88 HB3 ALA 88 -27.751 21.726 5.932 1438 H THR 89 H THR 89 -24.595 21.165 3.888 1439 HA THR 89 HA THR 89 -23.878 18.422 3.636 1440 HB THR 89 HB THR 89 -22.536 19.224 1.682 1441 HG1 THR 89 HG1 THR 89 -22.356 21.339 1.307 1442 HG21 THR 89 HG21 THR 89 -24.478 20.023 0.402 1443 HG22 THR 89 HG22 THR 89 -25.335 20.376 1.902 1444 HG23 THR 89 HG23 THR 89 -24.950 18.709 1.478 1445 H MET 90 H MET 90 -21.987 21.351 4.373 1446 HA MET 90 HA MET 90 -19.447 20.358 4.498 1447 HB2 MET 90 HB2 MET 90 -20.243 22.727 5.009 1448 HB3 MET 90 HB3 MET 90 -20.552 22.166 6.651 1449 HG2 MET 90 HG2 MET 90 -18.338 23.102 6.646 1450 HG3 MET 90 HG3 MET 90 -18.148 21.349 6.706 1451 HE1 MET 90 HE1 MET 90 -15.769 22.765 6.122 1452 HE2 MET 90 HE2 MET 90 -16.459 24.217 5.397 1453 HE3 MET 90 HE3 MET 90 -15.335 23.222 4.472 1454 H LEU 91 H LEU 91 -21.800 20.292 7.180 1455 HA LEU 91 HA LEU 91 -20.126 18.804 8.928 1456 HB2 LEU 91 HB2 LEU 91 -22.134 20.227 9.571 1457 HB3 LEU 91 HB3 LEU 91 -23.145 18.921 8.968 1458 HG LEU 91 HG LEU 91 -21.703 17.407 10.571 1459 HD11 LEU 91 HD11 LEU 91 -21.278 20.175 11.739 1460 HD12 LEU 91 HD12 LEU 91 -20.030 19.032 11.241 1461 HD13 LEU 91 HD13 LEU 91 -21.043 18.679 12.636 1462 HD21 LEU 91 HD21 LEU 91 -23.238 18.015 12.486 1463 HD22 LEU 91 HD22 LEU 91 -24.056 17.711 10.953 1464 HD23 LEU 91 HD23 LEU 91 -23.810 19.367 11.509 1465 H LYS 92 H LYS 92 -22.730 17.897 6.702 1466 HA LYS 92 HA LYS 92 -22.720 15.133 7.426 1467 HB2 LYS 92 HB2 LYS 92 -24.618 16.433 6.325 1468 HB3 LYS 92 HB3 LYS 92 -23.707 16.299 4.822 1469 HG2 LYS 92 HG2 LYS 92 -23.747 13.861 4.971 1470 HG3 LYS 92 HG3 LYS 92 -24.535 13.943 6.543 1471 HD2 LYS 92 HD2 LYS 92 -26.327 13.539 5.080 1472 HD3 LYS 92 HD3 LYS 92 -26.393 15.282 5.314 1473 HE2 LYS 92 HE2 LYS 92 -25.260 15.662 3.197 1474 HE3 LYS 92 HE3 LYS 92 -24.984 13.932 2.989 1475 HZ1 LYS 92 HZ1 LYS 92 -27.414 15.484 2.623 1476 HZ2 LYS 92 HZ2 LYS 92 -27.605 13.950 3.327 1477 HZ3 LYS 92 HZ3 LYS 92 -26.871 14.101 1.802 1478 H GLN 93 H GLN 93 -20.624 17.033 5.542 1479 HA GLN 93 HA GLN 93 -19.808 14.925 3.718 1480 HB2 GLN 93 HB2 GLN 93 -19.728 17.426 3.218 1481 HB3 GLN 93 HB3 GLN 93 -18.338 17.498 4.301 1482 HG2 GLN 93 HG2 GLN 93 -17.464 17.206 2.085 1483 HG3 GLN 93 HG3 GLN 93 -17.294 15.653 2.903 1484 HE21 GLN 93 HE21 GLN 93 -17.624 14.144 1.233 1485 HE22 GLN 93 HE22 GLN 93 -18.988 14.128 0.221 1486 H ALA 94 H ALA 94 -18.839 16.228 6.813 1487 HA ALA 94 HA ALA 94 -16.245 15.048 6.910 1488 HB1 ALA 94 HB1 ALA 94 -16.960 16.936 8.363 1489 HB2 ALA 94 HB2 ALA 94 -16.318 15.579 9.288 1490 HB3 ALA 94 HB3 ALA 94 -18.060 15.842 9.203 1491 H ILE 95 H ILE 95 -19.438 14.065 8.124 1492 HA ILE 95 HA ILE 95 -18.566 11.660 9.357 1493 HB ILE 95 HB ILE 95 -21.305 12.125 8.176 1494 HG12 ILE 95 HG12 ILE 95 -20.805 14.135 9.410 1495 HG13 ILE 95 HG13 ILE 95 -21.848 13.139 10.422 1496 HG21 ILE 95 HG21 ILE 95 -20.877 9.894 9.081 1497 HG22 ILE 95 HG22 ILE 95 -21.981 10.763 10.145 1498 HG23 ILE 95 HG23 ILE 95 -20.282 10.595 10.586 1499 HD11 ILE 95 HD11 ILE 95 -18.871 13.582 10.672 1500 HD12 ILE 95 HD12 ILE 95 -19.672 12.221 11.456 1501 HD13 ILE 95 HD13 ILE 95 -20.125 13.871 11.877 1502 H HIS 96 H HIS 96 -19.122 12.559 6.077 1503 HA HIS 96 HA HIS 96 -19.660 9.959 5.031 1504 HB2 HIS 96 HB2 HIS 96 -20.126 12.197 3.900 1505 HB3 HIS 96 HB3 HIS 96 -18.403 12.260 3.528 1506 HD1 HIS 96 HD1 HIS 96 -18.983 8.828 3.399 1507 HD2 HIS 96 HD2 HIS 96 -20.109 11.940 0.864 1508 HE1 HIS 96 HE1 HIS 96 -19.515 7.771 1.163 1509 HE2 HIS 96 HE2 HIS 96 -20.204 9.652 -0.396 1510 H HIS 97 H HIS 97 -16.705 11.925 5.280 1511 HA HIS 97 HA HIS 97 -15.050 9.869 4.117 1512 HB2 HIS 97 HB2 HIS 97 -14.540 12.300 3.918 1513 HB3 HIS 97 HB3 HIS 97 -14.232 12.345 5.653 1514 HD1 HIS 97 HD1 HIS 97 -12.864 10.926 2.440 1515 HD2 HIS 97 HD2 HIS 97 -11.764 11.220 6.450 1516 HE1 HIS 97 HE1 HIS 97 -10.440 10.207 2.571 1517 HE2 HIS 97 HE2 HIS 97 -9.756 10.368 5.011 1518 H ALA 98 H ALA 98 -16.320 10.484 7.219 1519 HA ALA 98 HA ALA 98 -14.182 9.377 8.775 1520 HB1 ALA 98 HB1 ALA 98 -15.843 9.345 10.600 1521 HB2 ALA 98 HB2 ALA 98 -17.115 9.740 9.443 1522 HB3 ALA 98 HB3 ALA 98 -15.829 10.901 9.769 1523 H ASN 99 H ASN 99 -17.368 8.124 7.762 1524 HA ASN 99 HA ASN 99 -16.824 5.492 8.771 1525 HB2 ASN 99 HB2 ASN 99 -19.116 6.455 8.580 1526 HB3 ASN 99 HB3 ASN 99 -18.968 6.375 6.825 1527 HD21 ASN 99 HD21 ASN 99 -19.401 4.442 9.748 1528 HD22 ASN 99 HD22 ASN 99 -19.712 2.979 8.947 1529 H HIS 100 H HIS 100 -16.946 6.944 5.522 1530 HA HIS 100 HA HIS 100 -16.271 6.131 3.474 1531 HB2 HIS 100 HB2 HIS 100 -14.104 6.539 4.769 1532 HB3 HIS 100 HB3 HIS 100 -14.062 4.799 5.049 1533 HD1 HIS 100 HD1 HIS 100 -14.472 7.141 2.055 1534 HD2 HIS 100 HD2 HIS 100 -12.752 3.467 3.021 1535 HE1 HIS 100 HE1 HIS 100 -13.278 6.341 -0.028 1536 HE2 HIS 100 HE2 HIS 100 -12.224 4.102 0.542 1537 HA PRO 101 HA PRO 101 -18.358 2.024 4.561 1538 HB2 PRO 101 HB2 PRO 101 -19.558 2.920 1.942 1539 HB3 PRO 101 HB3 PRO 101 -20.331 2.074 3.296 1540 HG2 PRO 101 HG2 PRO 101 -20.696 4.675 2.974 1541 HG3 PRO 101 HG3 PRO 101 -20.441 4.006 4.594 1542 HD2 PRO 101 HD2 PRO 101 -18.530 5.552 2.868 1543 HD3 PRO 101 HD3 PRO 101 -18.696 5.551 4.637 1544 H LYS 102 H LYS 102 -18.673 0.157 2.839 1545 HA LYS 102 HA LYS 102 -16.070 -0.387 1.750 1546 HB2 LYS 102 HB2 LYS 102 -18.600 -1.974 1.295 1547 HB3 LYS 102 HB3 LYS 102 -16.934 -2.549 1.218 1548 HG2 LYS 102 HG2 LYS 102 -16.748 -1.848 3.682 1549 HG3 LYS 102 HG3 LYS 102 -18.505 -1.710 3.661 1550 HD2 LYS 102 HD2 LYS 102 -16.890 -4.194 3.012 1551 HD3 LYS 102 HD3 LYS 102 -17.874 -3.936 4.452 1552 HE2 LYS 102 HE2 LYS 102 -18.781 -4.298 1.597 1553 HE3 LYS 102 HE3 LYS 102 -19.275 -5.203 3.029 1554 HZ1 LYS 102 HZ1 LYS 102 -21.036 -3.817 2.858 1555 HZ2 LYS 102 HZ2 LYS 102 -20.157 -2.589 2.080 1556 HZ3 LYS 102 HZ3 LYS 102 -20.028 -2.792 3.762 1557 H GLU 103 H GLU 103 -19.313 0.063 0.337 1558 HA GLU 103 HA GLU 103 -18.637 -0.199 -2.350 1559 HB2 GLU 103 HB2 GLU 103 -20.956 -0.035 -1.592 1560 HB3 GLU 103 HB3 GLU 103 -20.693 1.638 -1.095 1561 HG2 GLU 103 HG2 GLU 103 -20.353 2.352 -3.352 1562 HG3 GLU 103 HG3 GLU 103 -20.228 0.691 -3.931 Start of MODEL 13 1 H ASN 9 H ASN 9 -18.565 7.181 19.110 2 HA ASN 9 HA ASN 9 -20.873 8.526 19.091 3 HB2 ASN 9 HB2 ASN 9 -22.002 6.932 20.531 4 HB3 ASN 9 HB3 ASN 9 -20.675 6.982 21.691 5 HD21 ASN 9 HD21 ASN 9 -23.651 8.485 20.781 6 HD22 ASN 9 HD22 ASN 9 -23.571 9.790 21.865 7 H THR 10 H THR 10 -18.700 7.736 21.819 8 HA THR 10 HA THR 10 -18.015 10.524 22.179 9 HB THR 10 HB THR 10 -16.700 9.754 24.057 10 HG1 THR 10 HG1 THR 10 -16.177 7.741 22.643 11 HG21 THR 10 HG21 THR 10 -19.288 8.204 23.746 12 HG22 THR 10 HG22 THR 10 -19.109 9.822 24.426 13 HG23 THR 10 HG23 THR 10 -18.436 8.429 25.273 14 H ASP 11 H ASP 11 -16.723 7.802 20.480 15 HA ASP 11 HA ASP 11 -14.027 8.866 20.277 16 HB2 ASP 11 HB2 ASP 11 -14.375 6.443 20.256 17 HB3 ASP 11 HB3 ASP 11 -15.392 6.587 18.823 18 H THR 12 H THR 12 -17.032 9.199 18.641 19 HA THR 12 HA THR 12 -15.978 9.940 16.077 20 HB THR 12 HB THR 12 -18.299 10.742 15.654 21 HG1 THR 12 HG1 THR 12 -19.054 9.691 18.123 22 HG21 THR 12 HG21 THR 12 -17.652 8.359 15.342 23 HG22 THR 12 HG22 THR 12 -19.343 8.534 15.812 24 HG23 THR 12 HG23 THR 12 -18.143 8.030 17.004 25 H LEU 13 H LEU 13 -17.882 11.949 18.328 26 HA LEU 13 HA LEU 13 -17.239 14.415 17.304 27 HB2 LEU 13 HB2 LEU 13 -17.835 13.519 20.121 28 HB3 LEU 13 HB3 LEU 13 -17.525 15.216 19.759 29 HG LEU 13 HG LEU 13 -19.345 15.184 18.083 30 HD11 LEU 13 HD11 LEU 13 -19.544 12.308 18.987 31 HD12 LEU 13 HD12 LEU 13 -19.421 12.933 17.341 32 HD13 LEU 13 HD13 LEU 13 -20.913 13.142 18.253 33 HD21 LEU 13 HD21 LEU 13 -19.957 15.924 20.280 34 HD22 LEU 13 HD22 LEU 13 -20.000 14.271 20.894 35 HD23 LEU 13 HD23 LEU 13 -21.230 14.822 19.756 36 H GLU 14 H GLU 14 -15.174 12.242 18.988 37 HA GLU 14 HA GLU 14 -13.236 14.234 19.800 38 HB2 GLU 14 HB2 GLU 14 -13.253 11.216 19.749 39 HB3 GLU 14 HB3 GLU 14 -11.811 12.131 20.190 40 HG2 GLU 14 HG2 GLU 14 -14.479 12.634 21.519 41 HG3 GLU 14 HG3 GLU 14 -13.366 11.403 22.110 42 H ARG 15 H ARG 15 -13.465 11.780 17.236 43 HA ARG 15 HA ARG 15 -10.954 12.607 16.046 44 HB2 ARG 15 HB2 ARG 15 -11.686 10.247 16.012 45 HB3 ARG 15 HB3 ARG 15 -13.073 10.701 15.022 46 HG2 ARG 15 HG2 ARG 15 -11.623 11.453 13.230 47 HG3 ARG 15 HG3 ARG 15 -10.191 11.220 14.234 48 HD2 ARG 15 HD2 ARG 15 -10.436 9.329 12.705 49 HD3 ARG 15 HD3 ARG 15 -10.711 8.791 14.360 50 HE ARG 15 HE ARG 15 -13.198 9.496 13.283 51 HH11 ARG 15 HH21 ARG 15 -10.643 7.218 12.773 52 HH12 ARG 15 HH22 ARG 15 -11.687 5.972 12.176 53 HH21 ARG 15 HH11 ARG 15 -14.572 7.868 12.498 54 HH22 ARG 15 HH12 ARG 15 -13.911 6.341 12.018 55 H VAL 16 H VAL 16 -14.343 13.274 15.608 56 HA VAL 16 HA VAL 16 -14.100 14.324 12.945 57 HB VAL 16 HB VAL 16 -16.293 14.650 15.008 58 HG11 VAL 16 HG11 VAL 16 -16.535 16.421 13.428 59 HG12 VAL 16 HG12 VAL 16 -17.636 15.156 12.881 60 HG13 VAL 16 HG13 VAL 16 -16.081 15.379 12.079 61 HG21 VAL 16 HG21 VAL 16 -17.407 12.868 13.799 62 HG22 VAL 16 HG22 VAL 16 -15.792 12.306 14.228 63 HG23 VAL 16 HG23 VAL 16 -16.131 12.838 12.582 64 H THR 17 H THR 17 -14.207 15.695 16.211 65 HA THR 17 HA THR 17 -14.217 18.422 15.384 66 HB THR 17 HB THR 17 -13.307 17.152 17.979 67 HG1 THR 17 HG1 THR 17 -15.718 17.794 16.864 68 HG21 THR 17 HG21 THR 17 -13.756 20.022 17.143 69 HG22 THR 17 HG22 THR 17 -12.315 19.319 17.877 70 HG23 THR 17 HG23 THR 17 -13.784 19.519 18.833 71 H GLU 18 H GLU 18 -11.797 15.999 15.504 72 HA GLU 18 HA GLU 18 -9.527 17.745 15.775 73 HB2 GLU 18 HB2 GLU 18 -9.575 15.254 16.303 74 HB3 GLU 18 HB3 GLU 18 -9.545 14.978 14.562 75 HG2 GLU 18 HG2 GLU 18 -7.457 16.295 14.396 76 HG3 GLU 18 HG3 GLU 18 -7.482 16.544 16.142 77 H ILE 19 H ILE 19 -10.366 15.643 13.036 78 HA ILE 19 HA ILE 19 -8.858 16.518 11.095 79 HB ILE 19 HB ILE 19 -10.765 16.210 9.458 80 HG12 ILE 19 HG12 ILE 19 -12.353 15.529 11.940 81 HG13 ILE 19 HG13 ILE 19 -12.467 17.105 11.156 82 HG21 ILE 19 HG21 ILE 19 -9.481 14.286 10.040 83 HG22 ILE 19 HG22 ILE 19 -11.166 13.804 10.242 84 HG23 ILE 19 HG23 ILE 19 -10.190 14.211 11.653 85 HD11 ILE 19 HD11 ILE 19 -14.234 15.656 10.301 86 HD12 ILE 19 HD12 ILE 19 -13.054 14.414 9.885 87 HD13 ILE 19 HD13 ILE 19 -13.059 15.952 9.020 88 H PHE 20 H PHE 20 -11.341 18.534 12.490 89 HA PHE 20 HA PHE 20 -11.244 20.530 10.400 90 HB2 PHE 20 HB2 PHE 20 -12.369 20.517 13.206 91 HB3 PHE 20 HB3 PHE 20 -12.405 21.946 12.175 92 HD1 PHE 20 HD2 PHE 20 -13.262 21.477 9.683 93 HD2 PHE 20 HD1 PHE 20 -14.235 19.095 13.123 94 HE1 PHE 20 HE2 PHE 20 -15.265 20.604 8.513 95 HE2 PHE 20 HE1 PHE 20 -16.236 18.219 11.950 96 HZ PHE 20 HZ PHE 20 -16.750 18.973 9.645 97 H LYS 21 H LYS 21 -10.417 20.847 13.852 98 HA LYS 21 HA LYS 21 -8.793 23.063 13.645 99 HB2 LYS 21 HB2 LYS 21 -8.366 20.747 15.549 100 HB3 LYS 21 HB3 LYS 21 -7.823 22.410 15.778 101 HG2 LYS 21 HG2 LYS 21 -10.158 23.185 15.782 102 HG3 LYS 21 HG3 LYS 21 -10.716 21.533 15.519 103 HD2 LYS 21 HD2 LYS 21 -9.775 20.830 17.656 104 HD3 LYS 21 HD3 LYS 21 -9.071 22.428 17.905 105 HE2 LYS 21 HE2 LYS 21 -12.043 21.961 17.559 106 HE3 LYS 21 HE3 LYS 21 -11.252 22.028 19.134 107 HZ1 LYS 21 HZ1 LYS 21 -11.647 24.166 17.160 108 HZ2 LYS 21 HZ2 LYS 21 -10.301 24.238 18.193 109 HZ3 LYS 21 HZ3 LYS 21 -11.869 24.198 18.843 110 H ALA 22 H ALA 22 -8.098 19.806 12.706 111 HA ALA 22 HA ALA 22 -5.320 19.733 12.828 112 HB1 ALA 22 HB1 ALA 22 -6.519 17.742 12.260 113 HB2 ALA 22 HB2 ALA 22 -5.514 18.143 10.868 114 HB3 ALA 22 HB3 ALA 22 -7.240 18.506 10.844 115 H LEU 23 H LEU 23 -7.342 21.664 10.840 116 HA LEU 23 HA LEU 23 -5.288 22.149 8.809 117 HB2 LEU 23 HB2 LEU 23 -8.132 23.068 9.201 118 HB3 LEU 23 HB3 LEU 23 -7.095 23.808 7.989 119 HG LEU 23 HG LEU 23 -8.549 21.931 7.141 120 HD11 LEU 23 HD11 LEU 23 -6.980 21.183 5.619 121 HD12 LEU 23 HD12 LEU 23 -5.698 21.035 6.813 122 HD13 LEU 23 HD13 LEU 23 -6.172 22.624 6.219 123 HD21 LEU 23 HD21 LEU 23 -8.230 20.588 9.287 124 HD22 LEU 23 HD22 LEU 23 -6.660 20.113 8.637 125 HD23 LEU 23 HD23 LEU 23 -8.138 19.682 7.778 126 H GLY 24 H GLY 24 -5.378 23.020 11.852 127 HA2 GLY 24 HA2 GLY 24 -5.494 25.761 12.097 128 HA3 GLY 24 HA3 GLY 24 -4.390 24.744 13.016 129 H ASP 25 H ASP 25 -2.302 24.232 12.028 130 HA ASP 25 HA ASP 25 -0.832 26.406 11.252 131 HB2 ASP 25 HB2 ASP 25 -0.375 23.523 10.449 132 HB3 ASP 25 HB3 ASP 25 0.835 24.802 10.368 133 H TYR 26 H TYR 26 -0.432 27.515 9.417 134 HA TYR 26 HA TYR 26 -2.183 27.162 7.185 135 HB2 TYR 26 HB2 TYR 26 0.277 28.902 7.181 136 HB3 TYR 26 HB3 TYR 26 -1.247 29.147 6.331 137 HD1 TYR 26 HD2 TYR 26 -3.378 29.453 7.769 138 HD2 TYR 26 HD1 TYR 26 0.610 29.871 9.310 139 HE1 TYR 26 HE2 TYR 26 -4.255 30.762 9.683 140 HE2 TYR 26 HE1 TYR 26 -0.267 31.178 11.226 141 HH TYR 26 HH TYR 26 -2.585 32.709 11.494 142 H ASN 27 H ASN 27 1.111 26.244 7.912 143 HA ASN 27 HA ASN 27 2.196 25.817 5.415 144 HB2 ASN 27 HB2 ASN 27 3.483 25.464 7.445 145 HB3 ASN 27 HB3 ASN 27 2.465 24.096 7.891 146 HD21 ASN 27 HD21 ASN 27 5.306 24.985 6.184 147 HD22 ASN 27 HD22 ASN 27 5.560 23.506 5.391 148 H ARG 28 H ARG 28 0.051 23.655 7.247 149 HA ARG 28 HA ARG 28 0.098 21.528 5.379 150 HB2 ARG 28 HB2 ARG 28 -2.074 22.249 7.361 151 HB3 ARG 28 HB3 ARG 28 -1.838 20.678 6.595 152 HG2 ARG 28 HG2 ARG 28 0.338 20.437 7.677 153 HG3 ARG 28 HG3 ARG 28 0.202 22.054 8.368 154 HD2 ARG 28 HD2 ARG 28 -1.857 21.313 9.577 155 HD3 ARG 28 HD3 ARG 28 -1.594 19.683 8.959 156 HE ARG 28 HE ARG 28 0.775 20.392 10.200 157 HH11 ARG 28 HH21 ARG 28 -2.572 20.126 11.043 158 HH12 ARG 28 HH22 ARG 28 -2.264 19.696 12.692 159 HH21 ARG 28 HH11 ARG 28 1.185 19.824 12.357 160 HH22 ARG 28 HH12 ARG 28 -0.135 19.522 13.435 161 H ILE 29 H ILE 29 -2.008 24.350 5.739 162 HA ILE 29 HA ILE 29 -4.010 23.591 3.936 163 HB ILE 29 HB ILE 29 -3.029 26.414 4.397 164 HG12 ILE 29 HG12 ILE 29 -4.962 24.723 6.016 165 HG13 ILE 29 HG13 ILE 29 -3.363 25.242 6.545 166 HG21 ILE 29 HG21 ILE 29 -5.319 27.024 3.882 167 HG22 ILE 29 HG22 ILE 29 -5.801 25.331 3.817 168 HG23 ILE 29 HG23 ILE 29 -4.733 25.991 2.580 169 HD11 ILE 29 HD11 ILE 29 -4.199 27.646 6.099 170 HD12 ILE 29 HD12 ILE 29 -4.852 26.818 7.512 171 HD13 ILE 29 HD13 ILE 29 -5.812 26.936 6.038 172 H ARG 30 H ARG 30 -0.787 24.862 3.362 173 HA ARG 30 HA ARG 30 -1.203 25.693 0.687 174 HB2 ARG 30 HB2 ARG 30 0.717 26.324 2.224 175 HB3 ARG 30 HB3 ARG 30 1.382 24.727 1.915 176 HG2 ARG 30 HG2 ARG 30 2.476 26.001 0.291 177 HG3 ARG 30 HG3 ARG 30 1.108 25.375 -0.619 178 HD2 ARG 30 HD2 ARG 30 -0.095 27.463 -0.358 179 HD3 ARG 30 HD3 ARG 30 1.124 28.080 0.754 180 HE ARG 30 HE ARG 30 1.320 27.973 -2.133 181 HH11 ARG 30 HH21 ARG 30 2.954 28.176 0.910 182 HH12 ARG 30 HH22 ARG 30 4.407 28.842 0.242 183 HH21 ARG 30 HH11 ARG 30 3.228 28.835 -3.019 184 HH22 ARG 30 HH12 ARG 30 4.562 29.215 -1.981 185 H ILE 31 H ILE 31 -0.315 22.603 2.138 186 HA ILE 31 HA ILE 31 0.309 21.384 -0.423 187 HB ILE 31 HB ILE 31 0.159 20.379 2.418 188 HG12 ILE 31 HG12 ILE 31 2.531 19.995 2.103 189 HG13 ILE 31 HG13 ILE 31 2.410 20.378 0.388 190 HG21 ILE 31 HG21 ILE 31 -0.683 18.513 1.174 191 HG22 ILE 31 HG22 ILE 31 1.030 18.189 1.441 192 HG23 ILE 31 HG23 ILE 31 0.477 18.774 -0.129 193 HD11 ILE 31 HD11 ILE 31 3.287 22.230 1.953 194 HD12 ILE 31 HD12 ILE 31 1.621 22.375 2.508 195 HD13 ILE 31 HD13 ILE 31 2.017 22.674 0.814 196 H MET 32 H MET 32 -2.486 22.021 1.420 197 HA MET 32 HA MET 32 -4.047 19.792 0.420 198 HB2 MET 32 HB2 MET 32 -4.394 21.014 2.649 199 HB3 MET 32 HB3 MET 32 -5.120 22.309 1.697 200 HG2 MET 32 HG2 MET 32 -6.942 20.920 2.343 201 HG3 MET 32 HG3 MET 32 -6.613 20.490 0.664 202 HE1 MET 32 HE1 MET 32 -7.676 17.140 1.857 203 HE2 MET 32 HE2 MET 32 -8.176 18.747 1.330 204 HE3 MET 32 HE3 MET 32 -8.125 18.361 3.050 205 H GLU 33 H GLU 33 -3.681 23.236 -0.267 206 HA GLU 33 HA GLU 33 -5.752 23.242 -2.288 207 HB2 GLU 33 HB2 GLU 33 -5.083 25.567 -2.649 208 HB3 GLU 33 HB3 GLU 33 -5.264 25.245 -0.924 209 HG2 GLU 33 HG2 GLU 33 -2.752 24.759 -0.899 210 HG3 GLU 33 HG3 GLU 33 -2.701 25.466 -2.513 211 H LEU 34 H LEU 34 -2.204 23.286 -2.235 212 HA LEU 34 HA LEU 34 -1.893 23.566 -5.039 213 HB2 LEU 34 HB2 LEU 34 -0.189 23.913 -3.086 214 HB3 LEU 34 HB3 LEU 34 0.143 22.200 -3.289 215 HG LEU 34 HG LEU 34 1.724 23.461 -4.604 216 HD11 LEU 34 HD11 LEU 34 -0.276 22.408 -6.597 217 HD12 LEU 34 HD12 LEU 34 0.630 21.335 -5.526 218 HD13 LEU 34 HD13 LEU 34 1.484 22.362 -6.676 219 HD21 LEU 34 HD21 LEU 34 -0.054 25.435 -4.860 220 HD22 LEU 34 HD22 LEU 34 -0.360 24.643 -6.404 221 HD23 LEU 34 HD23 LEU 34 1.257 25.210 -6.010 222 H LEU 35 H LEU 35 -1.140 20.689 -3.054 223 HA LEU 35 HA LEU 35 -0.825 18.875 -5.070 224 HB2 LEU 35 HB2 LEU 35 -0.601 18.528 -2.532 225 HB3 LEU 35 HB3 LEU 35 -2.321 18.165 -2.550 226 HG LEU 35 HG LEU 35 -1.685 16.488 -4.481 227 HD11 LEU 35 HD11 LEU 35 0.596 15.498 -4.064 228 HD12 LEU 35 HD12 LEU 35 0.978 16.914 -3.089 229 HD13 LEU 35 HD13 LEU 35 0.634 17.092 -4.810 230 HD21 LEU 35 HD21 LEU 35 -1.249 14.721 -2.815 231 HD22 LEU 35 HD22 LEU 35 -2.540 15.799 -2.284 232 HD23 LEU 35 HD23 LEU 35 -0.923 15.954 -1.596 233 H SER 36 H SER 36 -3.909 19.683 -3.480 234 HA SER 36 HA SER 36 -5.645 17.970 -4.676 235 HB2 SER 36 HB2 SER 36 -7.335 19.835 -4.608 236 HB3 SER 36 HB3 SER 36 -6.456 19.590 -3.099 237 HG SER 36 HG SER 36 -5.819 21.565 -3.281 238 H VAL 37 H VAL 37 -4.251 20.874 -6.158 239 HA VAL 37 HA VAL 37 -5.757 20.765 -8.559 240 HB VAL 37 HB VAL 37 -3.012 21.932 -8.033 241 HG11 VAL 37 HG11 VAL 37 -3.251 21.657 -10.401 242 HG12 VAL 37 HG12 VAL 37 -3.652 23.340 -10.061 243 HG13 VAL 37 HG13 VAL 37 -4.938 22.169 -10.355 244 HG21 VAL 37 HG21 VAL 37 -5.010 22.795 -6.694 245 HG22 VAL 37 HG22 VAL 37 -5.688 23.332 -8.231 246 HG23 VAL 37 HG23 VAL 37 -4.159 24.001 -7.659 247 H SER 38 H SER 38 -2.766 19.233 -7.519 248 HA SER 38 HA SER 38 -2.983 17.208 -9.532 249 HB2 SER 38 HB2 SER 38 -0.877 19.353 -9.844 250 HB3 SER 38 HB3 SER 38 -0.734 17.758 -10.581 251 HG SER 38 HG SER 38 -2.014 19.817 -11.531 252 H GLU 39 H GLU 39 -1.890 15.410 -8.926 253 HA GLU 39 HA GLU 39 -0.800 15.250 -6.323 254 HB2 GLU 39 HB2 GLU 39 -0.170 13.219 -8.454 255 HB3 GLU 39 HB3 GLU 39 -0.514 12.967 -6.743 256 HG2 GLU 39 HG2 GLU 39 -2.459 13.696 -8.943 257 HG3 GLU 39 HG3 GLU 39 -2.453 12.247 -7.945 258 H ALA 40 H ALA 40 1.415 14.641 -5.736 259 HA ALA 40 HA ALA 40 3.536 15.229 -7.641 260 HB1 ALA 40 HB1 ALA 40 4.417 17.147 -6.539 261 HB2 ALA 40 HB2 ALA 40 3.296 16.974 -5.189 262 HB3 ALA 40 HB3 ALA 40 2.698 17.467 -6.773 263 H SER 41 H SER 41 5.693 15.037 -6.646 264 HA SER 41 HA SER 41 5.725 13.049 -4.440 265 HB2 SER 41 HB2 SER 41 7.706 12.160 -5.385 266 HB3 SER 41 HB3 SER 41 6.623 12.415 -6.753 267 HG SER 41 HG SER 41 7.756 14.177 -7.343 268 H VAL 42 H VAL 42 7.673 13.184 -3.037 269 HA VAL 42 HA VAL 42 7.880 15.567 -1.690 270 HB VAL 42 HB VAL 42 10.040 13.469 -2.009 271 HG11 VAL 42 HG11 VAL 42 9.606 15.698 -0.004 272 HG12 VAL 42 HG12 VAL 42 11.007 15.451 -1.047 273 HG13 VAL 42 HG13 VAL 42 10.694 14.339 0.285 274 HG21 VAL 42 HG21 VAL 42 9.063 12.402 -0.108 275 HG22 VAL 42 HG22 VAL 42 7.720 12.750 -1.197 276 HG23 VAL 42 HG23 VAL 42 8.006 13.777 0.209 277 H GLY 43 H GLY 43 10.005 14.418 -4.300 278 HA2 GLY 43 HA2 GLY 43 11.896 16.435 -4.264 279 HA3 GLY 43 HA3 GLY 43 11.433 15.541 -5.706 280 H HIS 44 H HIS 44 8.948 16.344 -6.291 281 HA HIS 44 HA HIS 44 9.370 18.793 -7.557 282 HB2 HIS 44 HB2 HIS 44 7.741 17.072 -8.293 283 HB3 HIS 44 HB3 HIS 44 6.708 17.498 -6.929 284 HD1 HIS 44 HD1 HIS 44 4.881 19.010 -7.671 285 HD2 HIS 44 HD2 HIS 44 8.424 19.789 -9.727 286 HE1 HIS 44 HE1 HIS 44 4.397 20.951 -9.220 287 HE2 HIS 44 HE2 HIS 44 6.545 21.439 -10.482 288 H ILE 45 H ILE 45 7.926 18.102 -4.439 289 HA ILE 45 HA ILE 45 6.705 20.681 -4.148 290 HB ILE 45 HB ILE 45 7.454 18.761 -1.934 291 HG12 ILE 45 HG12 ILE 45 4.810 19.008 -3.392 292 HG13 ILE 45 HG13 ILE 45 6.017 17.795 -3.809 293 HG21 ILE 45 HG21 ILE 45 5.320 20.913 -2.127 294 HG22 ILE 45 HG22 ILE 45 6.843 21.097 -1.261 295 HG23 ILE 45 HG23 ILE 45 5.660 19.908 -0.721 296 HD11 ILE 45 HD11 ILE 45 4.241 16.995 -2.194 297 HD12 ILE 45 HD12 ILE 45 4.893 18.137 -1.018 298 HD13 ILE 45 HD13 ILE 45 5.895 16.812 -1.609 299 H SER 46 H SER 46 9.881 19.363 -3.410 300 HA SER 46 HA SER 46 10.965 21.141 -1.644 301 HB2 SER 46 HB2 SER 46 12.111 19.230 -2.898 302 HB3 SER 46 HB3 SER 46 12.384 20.391 -4.198 303 HG SER 46 HG SER 46 13.725 20.085 -1.905 304 H HIS 47 H HIS 47 9.706 21.850 -4.754 305 HA HIS 47 HA HIS 47 11.097 24.420 -4.993 306 HB2 HIS 47 HB2 HIS 47 8.957 23.208 -6.757 307 HB3 HIS 47 HB3 HIS 47 9.985 24.589 -7.138 308 HD1 HIS 47 HD1 HIS 47 12.617 23.234 -5.892 309 HD2 HIS 47 HD2 HIS 47 10.102 21.543 -8.755 310 HE1 HIS 47 HE1 HIS 47 13.999 21.514 -7.132 311 HE2 HIS 47 HE2 HIS 47 12.480 20.465 -8.874 312 H GLN 48 H GLN 48 7.979 23.102 -4.100 313 HA GLN 48 HA GLN 48 6.712 25.746 -4.037 314 HB2 GLN 48 HB2 GLN 48 5.633 22.997 -3.379 315 HB3 GLN 48 HB3 GLN 48 4.684 24.482 -3.451 316 HG2 GLN 48 HG2 GLN 48 5.127 24.743 -5.800 317 HG3 GLN 48 HG3 GLN 48 6.327 23.453 -5.778 318 HE21 GLN 48 HE21 GLN 48 4.008 22.298 -3.755 319 HE22 GLN 48 HE22 GLN 48 3.033 21.466 -4.868 320 H LEU 49 H LEU 49 7.099 23.022 -1.739 321 HA LEU 49 HA LEU 49 8.016 24.663 0.378 322 HB2 LEU 49 HB2 LEU 49 5.584 25.399 0.205 323 HB3 LEU 49 HB3 LEU 49 5.148 23.764 0.676 324 HG LEU 49 HG LEU 49 6.659 24.101 2.722 325 HD11 LEU 49 HD11 LEU 49 6.730 26.612 3.377 326 HD12 LEU 49 HD12 LEU 49 6.543 26.927 1.656 327 HD13 LEU 49 HD13 LEU 49 7.940 26.027 2.246 328 HD21 LEU 49 HD21 LEU 49 4.300 24.052 3.037 329 HD22 LEU 49 HD22 LEU 49 4.091 25.632 2.284 330 HD23 LEU 49 HD23 LEU 49 4.853 25.505 3.869 331 H ASN 50 H ASN 50 9.402 22.708 0.103 332 HA ASN 50 HA ASN 50 8.658 20.735 2.106 333 HB2 ASN 50 HB2 ASN 50 7.769 19.569 0.246 334 HB3 ASN 50 HB3 ASN 50 9.132 19.993 -0.781 335 HD21 ASN 50 HD21 ASN 50 10.938 18.586 -0.763 336 HD22 ASN 50 HD22 ASN 50 11.065 17.235 0.257 337 H LEU 51 H LEU 51 10.884 22.467 0.209 338 HA LEU 51 HA LEU 51 13.277 21.444 0.232 339 HB2 LEU 51 HB2 LEU 51 14.282 23.607 0.907 340 HB3 LEU 51 HB3 LEU 51 12.992 23.755 -0.272 341 HG LEU 51 HG LEU 51 11.512 24.034 1.996 342 HD11 LEU 51 HD11 LEU 51 13.379 23.879 3.559 343 HD12 LEU 51 HD12 LEU 51 12.770 25.530 3.547 344 HD13 LEU 51 HD13 LEU 51 14.253 25.133 2.682 345 HD21 LEU 51 HD21 LEU 51 11.456 25.654 0.209 346 HD22 LEU 51 HD22 LEU 51 13.093 26.196 0.585 347 HD23 LEU 51 HD23 LEU 51 11.777 26.514 1.716 348 H SER 52 H SER 52 11.549 22.041 3.181 349 HA SER 52 HA SER 52 13.794 21.049 4.833 350 HB2 SER 52 HB2 SER 52 12.660 22.985 5.761 351 HB3 SER 52 HB3 SER 52 11.091 22.205 5.565 352 HG SER 52 HG SER 52 13.141 21.691 7.396 353 H GLN 53 H GLN 53 13.491 18.998 3.560 354 HA GLN 53 HA GLN 53 11.395 17.391 3.262 355 HB2 GLN 53 HB2 GLN 53 14.125 16.597 4.290 356 HB3 GLN 53 HB3 GLN 53 12.917 15.431 3.756 357 HG2 GLN 53 HG2 GLN 53 14.334 15.848 1.873 358 HG3 GLN 53 HG3 GLN 53 12.828 16.703 1.554 359 HE21 GLN 53 HE21 GLN 53 13.194 18.775 0.767 360 HE22 GLN 53 HE22 GLN 53 14.510 19.760 1.189 361 H SER 54 H SER 54 13.319 17.112 6.260 362 HA SER 54 HA SER 54 11.816 15.358 7.664 363 HB2 SER 54 HB2 SER 54 13.870 16.323 8.557 364 HB3 SER 54 HB3 SER 54 13.078 17.884 8.758 365 HG SER 54 HG SER 54 12.215 15.475 9.978 366 H ASN 55 H ASN 55 10.783 18.472 6.665 367 HA ASN 55 HA ASN 55 8.780 18.851 8.692 368 HB2 ASN 55 HB2 ASN 55 9.896 20.669 7.284 369 HB3 ASN 55 HB3 ASN 55 8.840 20.150 5.970 370 HD21 ASN 55 HD21 ASN 55 8.618 21.127 9.441 371 HD22 ASN 55 HD22 ASN 55 7.129 21.922 9.267 372 H VAL 56 H VAL 56 8.779 17.687 5.326 373 HA VAL 56 HA VAL 56 5.912 17.251 5.345 374 HB VAL 56 HB VAL 56 8.039 16.464 3.339 375 HG11 VAL 56 HG11 VAL 56 6.005 16.304 1.820 376 HG12 VAL 56 HG12 VAL 56 5.014 16.371 3.278 377 HG13 VAL 56 HG13 VAL 56 6.137 15.032 3.035 378 HG21 VAL 56 HG21 VAL 56 6.891 18.390 2.067 379 HG22 VAL 56 HG22 VAL 56 7.949 18.837 3.404 380 HG23 VAL 56 HG23 VAL 56 6.199 18.846 3.623 381 H SER 57 H SER 57 8.849 15.267 5.472 382 HA SER 57 HA SER 57 7.810 12.735 5.226 383 HB2 SER 57 HB2 SER 57 10.220 13.256 5.490 384 HB3 SER 57 HB3 SER 57 9.943 13.593 7.198 385 HG SER 57 HG SER 57 9.519 11.142 5.836 386 H HIS 58 H HIS 58 8.030 14.658 8.216 387 HA HIS 58 HA HIS 58 6.702 12.664 9.806 388 HB2 HIS 58 HB2 HIS 58 7.349 15.576 10.321 389 HB3 HIS 58 HB3 HIS 58 6.621 14.503 11.516 390 HD1 HIS 58 HD1 HIS 58 9.696 14.541 9.251 391 HD2 HIS 58 HD2 HIS 58 8.507 13.119 12.987 392 HE1 HIS 58 HE1 HIS 58 11.740 13.473 10.293 393 HE2 HIS 58 HE2 HIS 58 11.036 12.604 12.573 394 H GLN 59 H GLN 59 5.716 15.352 7.841 395 HA GLN 59 HA GLN 59 3.166 15.792 9.015 396 HB2 GLN 59 HB2 GLN 59 4.419 17.356 7.455 397 HB3 GLN 59 HB3 GLN 59 3.910 16.307 6.133 398 HG2 GLN 59 HG2 GLN 59 2.283 18.065 6.284 399 HG3 GLN 59 HG3 GLN 59 1.528 16.619 6.952 400 HE21 GLN 59 HE21 GLN 59 0.746 16.762 9.081 401 HE22 GLN 59 HE22 GLN 59 1.073 18.054 10.132 402 H LEU 60 H LEU 60 3.978 14.207 5.901 403 HA LEU 60 HA LEU 60 1.427 13.261 5.355 404 HB2 LEU 60 HB2 LEU 60 4.020 11.893 4.612 405 HB3 LEU 60 HB3 LEU 60 2.475 11.751 3.778 406 HG LEU 60 HG LEU 60 4.008 14.350 4.098 407 HD11 LEU 60 HD11 LEU 60 3.870 12.375 1.805 408 HD12 LEU 60 HD12 LEU 60 5.306 12.859 2.706 409 HD13 LEU 60 HD13 LEU 60 4.497 14.015 1.647 410 HD21 LEU 60 HD21 LEU 60 2.437 14.930 2.110 411 HD22 LEU 60 HD22 LEU 60 1.741 14.901 3.725 412 HD23 LEU 60 HD23 LEU 60 1.492 13.538 2.635 413 H LYS 61 H LYS 61 3.752 12.039 7.651 414 HA LYS 61 HA LYS 61 2.776 9.371 7.799 415 HB2 LYS 61 HB2 LYS 61 4.964 10.148 8.739 416 HB3 LYS 61 HB3 LYS 61 4.071 11.004 9.997 417 HG2 LYS 61 HG2 LYS 61 3.092 8.913 10.782 418 HG3 LYS 61 HG3 LYS 61 3.853 8.026 9.460 419 HD2 LYS 61 HD2 LYS 61 6.090 8.801 10.350 420 HD3 LYS 61 HD3 LYS 61 5.238 9.435 11.758 421 HE2 LYS 61 HE2 LYS 61 6.020 7.225 12.329 422 HE3 LYS 61 HE3 LYS 61 4.274 7.121 12.102 423 HZ1 LYS 61 HZ1 LYS 61 6.254 6.517 9.977 424 HZ2 LYS 61 HZ2 LYS 61 4.578 6.238 9.931 425 HZ3 LYS 61 HZ3 LYS 61 5.562 5.337 10.983 426 H LEU 62 H LEU 62 1.983 12.368 9.510 427 HA LEU 62 HA LEU 62 0.116 11.241 11.318 428 HB2 LEU 62 HB2 LEU 62 1.212 13.520 11.479 429 HB3 LEU 62 HB3 LEU 62 0.119 14.052 10.208 430 HG LEU 62 HG LEU 62 -1.772 13.134 11.770 431 HD11 LEU 62 HD11 LEU 62 -1.139 13.427 14.198 432 HD12 LEU 62 HD12 LEU 62 0.550 13.422 13.702 433 HD13 LEU 62 HD13 LEU 62 -0.454 11.996 13.438 434 HD21 LEU 62 HD21 LEU 62 -1.384 15.528 11.247 435 HD22 LEU 62 HD22 LEU 62 -0.214 15.611 12.563 436 HD23 LEU 62 HD23 LEU 62 -1.914 15.296 12.914 437 H LEU 63 H LEU 63 -0.446 13.149 8.351 438 HA LEU 63 HA LEU 63 -3.173 12.982 8.167 439 HB2 LEU 63 HB2 LEU 63 -1.334 12.613 5.796 440 HB3 LEU 63 HB3 LEU 63 -2.958 13.292 5.792 441 HG LEU 63 HG LEU 63 -0.538 14.497 7.169 442 HD11 LEU 63 HD11 LEU 63 -0.749 16.245 5.455 443 HD12 LEU 63 HD12 LEU 63 -2.112 15.387 4.736 444 HD13 LEU 63 HD13 LEU 63 -0.502 14.669 4.703 445 HD21 LEU 63 HD21 LEU 63 -2.214 16.481 7.331 446 HD22 LEU 63 HD22 LEU 63 -2.387 15.157 8.478 447 HD23 LEU 63 HD23 LEU 63 -3.460 15.258 7.081 448 H LYS 64 H LYS 64 -0.822 10.501 7.264 449 HA LYS 64 HA LYS 64 -2.538 8.700 5.991 450 HB2 LYS 64 HB2 LYS 64 -0.012 8.567 6.155 451 HB3 LYS 64 HB3 LYS 64 -0.231 7.914 7.779 452 HG2 LYS 64 HG2 LYS 64 -1.687 6.122 6.799 453 HG3 LYS 64 HG3 LYS 64 -1.285 6.731 5.193 454 HD2 LYS 64 HD2 LYS 64 1.056 6.239 5.515 455 HD3 LYS 64 HD3 LYS 64 0.792 5.852 7.216 456 HE2 LYS 64 HE2 LYS 64 0.973 3.794 5.870 457 HE3 LYS 64 HE3 LYS 64 -0.643 3.950 6.557 458 HZ1 LYS 64 HZ1 LYS 64 -0.107 5.071 3.897 459 HZ2 LYS 64 HZ2 LYS 64 -1.557 4.463 4.540 460 HZ3 LYS 64 HZ3 LYS 64 -0.331 3.395 4.050 461 H SER 65 H SER 65 -1.782 9.079 9.439 462 HA SER 65 HA SER 65 -3.239 6.828 10.340 463 HB2 SER 65 HB2 SER 65 -1.587 7.918 11.762 464 HB3 SER 65 HB3 SER 65 -2.536 9.404 11.769 465 HG SER 65 HG SER 65 -3.208 8.423 13.560 466 H VAL 66 H VAL 66 -4.144 10.205 9.814 467 HA VAL 66 HA VAL 66 -6.763 9.942 10.933 468 HB VAL 66 HB VAL 66 -5.890 12.019 8.919 469 HG11 VAL 66 HG11 VAL 66 -7.858 11.971 11.226 470 HG12 VAL 66 HG12 VAL 66 -8.200 12.253 9.518 471 HG13 VAL 66 HG13 VAL 66 -7.323 13.459 10.452 472 HG21 VAL 66 HG21 VAL 66 -4.094 11.912 10.517 473 HG22 VAL 66 HG22 VAL 66 -5.226 11.807 11.865 474 HG23 VAL 66 HG23 VAL 66 -5.088 13.304 10.944 475 H HIS 67 H HIS 67 -5.645 8.246 8.559 476 HA HIS 67 HA HIS 67 -6.559 7.082 6.825 477 HB2 HIS 67 HB2 HIS 67 -8.545 7.069 8.460 478 HB3 HIS 67 HB3 HIS 67 -9.220 8.358 7.465 479 HD1 HIS 67 HD1 HIS 67 -7.225 5.749 5.728 480 HD2 HIS 67 HD2 HIS 67 -11.243 6.501 6.547 481 HE1 HIS 67 HE1 HIS 67 -8.560 4.191 4.249 482 HE2 HIS 67 HE2 HIS 67 -11.011 4.633 4.734 483 H LEU 68 H LEU 68 -5.846 10.096 6.720 484 HA LEU 68 HA LEU 68 -7.211 10.836 4.205 485 HB2 LEU 68 HB2 LEU 68 -5.233 12.432 5.844 486 HB3 LEU 68 HB3 LEU 68 -6.227 13.022 4.516 487 HG LEU 68 HG LEU 68 -7.342 11.871 7.088 488 HD11 LEU 68 HD11 LEU 68 -7.809 14.204 7.720 489 HD12 LEU 68 HD12 LEU 68 -7.020 14.767 6.247 490 HD13 LEU 68 HD13 LEU 68 -6.076 13.958 7.497 491 HD21 LEU 68 HD21 LEU 68 -8.549 13.207 4.664 492 HD22 LEU 68 HD22 LEU 68 -9.384 13.211 6.216 493 HD23 LEU 68 HD23 LEU 68 -9.009 11.685 5.425 494 H VAL 69 H VAL 69 -6.159 10.906 2.293 495 HA VAL 69 HA VAL 69 -4.687 10.194 0.721 496 HB VAL 69 HB VAL 69 -2.475 11.179 0.808 497 HG11 VAL 69 HG11 VAL 69 -3.169 13.512 1.034 498 HG12 VAL 69 HG12 VAL 69 -4.580 13.021 1.972 499 HG13 VAL 69 HG13 VAL 69 -4.454 12.574 0.271 500 HG21 VAL 69 HG21 VAL 69 -3.090 12.151 3.606 501 HG22 VAL 69 HG22 VAL 69 -1.583 12.292 2.712 502 HG23 VAL 69 HG23 VAL 69 -2.103 10.719 3.301 503 H LYS 70 H LYS 70 -2.379 9.111 0.433 504 HA LYS 70 HA LYS 70 -1.633 7.239 2.472 505 HB2 LYS 70 HB2 LYS 70 -3.725 6.176 1.735 506 HB3 LYS 70 HB3 LYS 70 -3.143 6.179 0.070 507 HG2 LYS 70 HG2 LYS 70 -1.397 4.638 0.570 508 HG3 LYS 70 HG3 LYS 70 -1.592 4.862 2.306 509 HD2 LYS 70 HD2 LYS 70 -2.603 2.744 1.679 510 HD3 LYS 70 HD3 LYS 70 -3.881 3.868 2.132 511 HE2 LYS 70 HE2 LYS 70 -3.023 3.584 -0.750 512 HE3 LYS 70 HE3 LYS 70 -4.194 2.480 -0.036 513 HZ1 LYS 70 HZ1 LYS 70 -4.789 4.871 -1.123 514 HZ2 LYS 70 HZ2 LYS 70 -4.714 5.252 0.530 515 HZ3 LYS 70 HZ3 LYS 70 -5.768 4.037 -0.016 516 H ALA 71 H ALA 71 0.168 5.937 1.856 517 HA ALA 71 HA ALA 71 1.665 6.985 -0.479 518 HB1 ALA 71 HB1 ALA 71 2.696 7.185 1.795 519 HB2 ALA 71 HB2 ALA 71 3.654 6.232 0.661 520 HB3 ALA 71 HB3 ALA 71 2.693 5.425 1.901 521 H LYS 72 H LYS 72 2.759 5.513 -1.851 522 HA LYS 72 HA LYS 72 1.983 2.663 -1.683 523 HB2 LYS 72 HB2 LYS 72 1.622 4.462 -4.092 524 HB3 LYS 72 HB3 LYS 72 1.445 2.708 -4.107 525 HG2 LYS 72 HG2 LYS 72 -0.305 2.955 -2.302 526 HG3 LYS 72 HG3 LYS 72 -0.215 4.701 -2.540 527 HD2 LYS 72 HD2 LYS 72 -0.915 4.484 -4.849 528 HD3 LYS 72 HD3 LYS 72 -0.817 2.726 -4.760 529 HE2 LYS 72 HE2 LYS 72 -2.645 4.363 -2.987 530 HE3 LYS 72 HE3 LYS 72 -3.160 3.689 -4.534 531 HZ1 LYS 72 HZ1 LYS 72 -1.901 1.993 -2.470 532 HZ2 LYS 72 HZ2 LYS 72 -2.885 1.528 -3.774 533 HZ3 LYS 72 HZ3 LYS 72 -3.567 2.321 -2.436 534 H ARG 73 H ARG 73 3.337 1.256 -2.862 535 HA ARG 73 HA ARG 73 6.085 2.205 -3.112 536 HB2 ARG 73 HB2 ARG 73 5.475 0.015 -2.020 537 HB3 ARG 73 HB3 ARG 73 4.991 -0.570 -3.612 538 HG2 ARG 73 HG2 ARG 73 7.237 -0.221 -4.477 539 HG3 ARG 73 HG3 ARG 73 7.742 0.529 -2.964 540 HD2 ARG 73 HD2 ARG 73 7.319 -1.582 -1.767 541 HD3 ARG 73 HD3 ARG 73 6.786 -2.334 -3.269 542 HE ARG 73 HE ARG 73 9.515 -1.861 -2.461 543 HH11 ARG 73 HH21 ARG 73 7.314 -2.220 -5.109 544 HH12 ARG 73 HH22 ARG 73 8.524 -2.771 -6.219 545 HH21 ARG 73 HH11 ARG 73 11.105 -2.587 -3.912 546 HH22 ARG 73 HH12 ARG 73 10.670 -2.975 -5.543 547 H GLN 74 H GLN 74 6.849 2.966 -4.975 548 HA GLN 74 HA GLN 74 6.140 1.702 -7.508 549 HB2 GLN 74 HB2 GLN 74 4.398 3.481 -7.103 550 HB3 GLN 74 HB3 GLN 74 5.699 4.672 -7.143 551 HG2 GLN 74 HG2 GLN 74 6.304 3.980 -9.409 552 HG3 GLN 74 HG3 GLN 74 5.079 2.713 -9.374 553 HE21 GLN 74 HE21 GLN 74 3.047 4.360 -8.003 554 HE22 GLN 74 HE22 GLN 74 2.520 5.512 -9.133 555 H GLY 75 H GLY 75 8.037 1.345 -8.415 556 HA2 GLY 75 HA2 GLY 75 10.243 1.588 -9.042 557 HA3 GLY 75 HA3 GLY 75 9.780 3.259 -9.347 558 H GLN 76 H GLN 76 10.325 1.242 -6.437 559 HA GLN 76 HA GLN 76 11.439 1.695 -4.483 560 HB2 GLN 76 HB2 GLN 76 13.372 3.177 -6.269 561 HB3 GLN 76 HB3 GLN 76 13.721 2.333 -4.760 562 HG2 GLN 76 HG2 GLN 76 12.934 0.205 -5.888 563 HG3 GLN 76 HG3 GLN 76 12.888 1.107 -7.401 564 HE21 GLN 76 HE21 GLN 76 15.166 0.348 -4.706 565 HE22 GLN 76 HE22 GLN 76 16.547 0.322 -5.694 566 H SER 77 H SER 77 9.748 3.986 -5.938 567 HA SER 77 HA SER 77 10.504 6.122 -4.011 568 HB2 SER 77 HB2 SER 77 9.238 6.521 -6.728 569 HB3 SER 77 HB3 SER 77 9.856 7.759 -5.636 570 HG SER 77 HG SER 77 11.289 7.133 -7.390 571 H MET 78 H MET 78 8.849 7.112 -2.925 572 HA MET 78 HA MET 78 6.179 5.820 -3.107 573 HB2 MET 78 HB2 MET 78 5.903 6.452 -0.776 574 HB3 MET 78 HB3 MET 78 7.393 5.532 -0.969 575 HG2 MET 78 HG2 MET 78 8.547 7.841 -1.230 576 HG3 MET 78 HG3 MET 78 7.061 8.501 -0.545 577 HE1 MET 78 HE1 MET 78 7.811 9.499 1.457 578 HE2 MET 78 HE2 MET 78 9.505 9.230 1.047 579 HE3 MET 78 HE3 MET 78 8.916 8.833 2.661 580 H ILE 79 H ILE 79 4.514 6.999 -3.738 581 HA ILE 79 HA ILE 79 4.575 9.949 -3.471 582 HB ILE 79 HB ILE 79 3.471 10.091 -5.690 583 HG12 ILE 79 HG12 ILE 79 4.155 7.137 -5.784 584 HG13 ILE 79 HG13 ILE 79 2.538 7.840 -5.812 585 HG21 ILE 79 HG21 ILE 79 6.101 8.614 -5.916 586 HG22 ILE 79 HG22 ILE 79 5.997 10.270 -5.318 587 HG23 ILE 79 HG23 ILE 79 5.483 9.892 -6.962 588 HD11 ILE 79 HD11 ILE 79 3.283 9.097 -7.916 589 HD12 ILE 79 HD12 ILE 79 3.055 7.357 -8.090 590 HD13 ILE 79 HD13 ILE 79 4.681 8.022 -7.937 591 H TYR 80 H TYR 80 2.390 10.882 -3.545 592 HA TYR 80 HA TYR 80 0.248 8.993 -2.736 593 HB2 TYR 80 HB2 TYR 80 -0.324 10.810 -0.984 594 HB3 TYR 80 HB3 TYR 80 1.032 9.735 -0.652 595 HD1 TYR 80 HD2 TYR 80 0.060 13.145 -1.668 596 HD2 TYR 80 HD1 TYR 80 3.329 10.520 -0.738 597 HE1 TYR 80 HE2 TYR 80 1.583 15.096 -1.511 598 HE2 TYR 80 HE1 TYR 80 4.851 12.470 -0.579 599 HH TYR 80 HH TYR 80 4.999 14.689 -0.587 600 H SER 81 H SER 81 -1.854 10.201 -2.486 601 HA SER 81 HA SER 81 -2.352 12.557 -4.008 602 HB2 SER 81 HB2 SER 81 -1.903 11.059 -5.901 603 HB3 SER 81 HB3 SER 81 -3.078 9.903 -5.280 604 HG SER 81 HG SER 81 -3.901 11.334 -6.918 605 H LEU 82 H LEU 82 -5.036 11.695 -4.823 606 HA LEU 82 HA LEU 82 -6.325 11.777 -2.199 607 HB2 LEU 82 HB2 LEU 82 -7.717 11.721 -4.873 608 HB3 LEU 82 HB3 LEU 82 -8.287 12.395 -3.346 609 HG LEU 82 HG LEU 82 -6.036 13.455 -5.077 610 HD11 LEU 82 HD11 LEU 82 -8.402 13.961 -5.761 611 HD12 LEU 82 HD12 LEU 82 -7.471 15.396 -5.332 612 HD13 LEU 82 HD13 LEU 82 -8.639 14.730 -4.192 613 HD21 LEU 82 HD21 LEU 82 -5.318 13.799 -2.831 614 HD22 LEU 82 HD22 LEU 82 -6.951 14.191 -2.291 615 HD23 LEU 82 HD23 LEU 82 -6.064 15.322 -3.312 616 H ASP 83 H ASP 83 -8.539 10.417 -2.296 617 HA ASP 83 HA ASP 83 -8.406 7.858 -3.551 618 HB2 ASP 83 HB2 ASP 83 -6.624 7.483 -1.923 619 HB3 ASP 83 HB3 ASP 83 -7.690 7.986 -0.612 620 H ASP 84 H ASP 84 -9.931 10.240 -1.749 621 HA ASP 84 HA ASP 84 -12.346 8.562 -1.292 622 HB2 ASP 84 HB2 ASP 84 -12.948 10.130 0.462 623 HB3 ASP 84 HB3 ASP 84 -11.336 9.489 0.774 624 H ILE 85 H ILE 85 -10.973 11.281 -2.903 625 HA ILE 85 HA ILE 85 -11.866 12.922 -4.255 626 HB ILE 85 HB ILE 85 -13.935 10.804 -4.862 627 HG12 ILE 85 HG12 ILE 85 -11.122 11.113 -5.959 628 HG13 ILE 85 HG13 ILE 85 -11.662 9.823 -4.885 629 HG21 ILE 85 HG21 ILE 85 -13.974 11.843 -7.051 630 HG22 ILE 85 HG22 ILE 85 -12.630 12.901 -6.619 631 HG23 ILE 85 HG23 ILE 85 -14.200 13.107 -5.842 632 HD11 ILE 85 HD11 ILE 85 -12.608 10.380 -7.707 633 HD12 ILE 85 HD12 ILE 85 -13.410 9.244 -6.624 634 HD13 ILE 85 HD13 ILE 85 -11.745 8.954 -7.130 635 H HIS 86 H HIS 86 -12.506 14.059 -2.220 636 HA HIS 86 HA HIS 86 -15.263 14.878 -2.419 637 HB2 HIS 86 HB2 HIS 86 -14.278 13.377 0.014 638 HB3 HIS 86 HB3 HIS 86 -15.675 14.451 0.061 639 HD1 HIS 86 HD1 HIS 86 -15.063 11.028 -0.191 640 HD2 HIS 86 HD2 HIS 86 -17.436 13.622 -2.432 641 HE1 HIS 86 HE1 HIS 86 -16.795 9.592 -1.349 642 HE2 HIS 86 HE2 HIS 86 -18.246 11.156 -2.726 643 H VAL 87 H VAL 87 -12.499 14.894 -0.163 644 HA VAL 87 HA VAL 87 -12.835 17.296 1.062 645 HB VAL 87 HB VAL 87 -10.421 17.375 1.378 646 HG11 VAL 87 HG11 VAL 87 -11.817 15.591 2.506 647 HG12 VAL 87 HG12 VAL 87 -10.111 15.179 2.330 648 HG13 VAL 87 HG13 VAL 87 -11.304 14.481 1.235 649 HG21 VAL 87 HG21 VAL 87 -10.424 15.451 -0.960 650 HG22 VAL 87 HG22 VAL 87 -9.038 15.640 0.115 651 HG23 VAL 87 HG23 VAL 87 -9.602 17.008 -0.844 652 H ALA 88 H ALA 88 -12.416 16.863 -2.278 653 HA ALA 88 HA ALA 88 -11.010 19.212 -2.979 654 HB1 ALA 88 HB1 ALA 88 -13.188 17.882 -4.602 655 HB2 ALA 88 HB2 ALA 88 -11.542 17.257 -4.494 656 HB3 ALA 88 HB3 ALA 88 -11.837 18.846 -5.200 657 H THR 89 H THR 89 -14.525 18.585 -3.115 658 HA THR 89 HA THR 89 -15.259 21.264 -3.599 659 HB THR 89 HB THR 89 -17.514 20.559 -3.104 660 HG1 THR 89 HG1 THR 89 -17.310 18.104 -2.328 661 HG21 THR 89 HG21 THR 89 -17.675 18.588 -4.541 662 HG22 THR 89 HG22 THR 89 -15.967 18.231 -4.284 663 HG23 THR 89 HG23 THR 89 -16.442 19.677 -5.174 664 H MET 90 H MET 90 -14.576 19.512 -0.648 665 HA MET 90 HA MET 90 -15.814 21.047 1.279 666 HB2 MET 90 HB2 MET 90 -14.376 18.984 1.622 667 HB3 MET 90 HB3 MET 90 -12.973 20.050 1.529 668 HG2 MET 90 HG2 MET 90 -14.021 21.433 3.370 669 HG3 MET 90 HG3 MET 90 -15.236 20.166 3.542 670 HE1 MET 90 HE1 MET 90 -13.598 17.206 5.015 671 HE2 MET 90 HE2 MET 90 -14.606 17.690 3.651 672 HE3 MET 90 HE3 MET 90 -14.954 18.307 5.265 673 H LEU 91 H LEU 91 -12.666 21.651 -0.263 674 HA LEU 91 HA LEU 91 -12.062 24.016 1.162 675 HB2 LEU 91 HB2 LEU 91 -11.174 23.383 -1.657 676 HB3 LEU 91 HB3 LEU 91 -10.342 24.375 -0.464 677 HG LEU 91 HG LEU 91 -10.875 21.404 -0.142 678 HD11 LEU 91 HD11 LEU 91 -8.471 21.139 -0.620 679 HD12 LEU 91 HD12 LEU 91 -8.339 22.870 -0.929 680 HD13 LEU 91 HD13 LEU 91 -9.313 21.855 -1.995 681 HD21 LEU 91 HD21 LEU 91 -10.623 22.380 2.015 682 HD22 LEU 91 HD22 LEU 91 -9.353 23.471 1.458 683 HD23 LEU 91 HD23 LEU 91 -9.028 21.746 1.618 684 H LYS 92 H LYS 92 -13.721 23.460 -1.925 685 HA LYS 92 HA LYS 92 -13.910 26.139 -2.738 686 HB2 LYS 92 HB2 LYS 92 -14.430 24.069 -4.110 687 HB3 LYS 92 HB3 LYS 92 -15.985 24.010 -3.279 688 HG2 LYS 92 HG2 LYS 92 -16.516 26.274 -4.073 689 HG3 LYS 92 HG3 LYS 92 -14.947 26.374 -4.871 690 HD2 LYS 92 HD2 LYS 92 -15.528 24.522 -6.344 691 HD3 LYS 92 HD3 LYS 92 -17.055 24.285 -5.493 692 HE2 LYS 92 HE2 LYS 92 -17.744 26.585 -6.147 693 HE3 LYS 92 HE3 LYS 92 -16.244 26.754 -7.059 694 HZ1 LYS 92 HZ1 LYS 92 -17.914 26.076 -8.569 695 HZ2 LYS 92 HZ2 LYS 92 -18.449 24.833 -7.544 696 HZ3 LYS 92 HZ3 LYS 92 -16.932 24.718 -8.301 697 H GLN 93 H GLN 93 -16.677 24.235 -1.542 698 HA GLN 93 HA GLN 93 -18.463 26.206 -1.085 699 HB2 GLN 93 HB2 GLN 93 -17.961 23.887 0.796 700 HB3 GLN 93 HB3 GLN 93 -19.460 24.807 0.660 701 HG2 GLN 93 HG2 GLN 93 -19.616 24.128 -1.734 702 HG3 GLN 93 HG3 GLN 93 -18.174 23.137 -1.520 703 HE21 GLN 93 HE21 GLN 93 -18.456 21.056 -0.623 704 HE22 GLN 93 HE22 GLN 93 -19.934 20.479 -0.024 705 H ALA 94 H ALA 94 -15.579 25.624 0.785 706 HA ALA 94 HA ALA 94 -16.279 27.023 3.135 707 HB1 ALA 94 HB1 ALA 94 -14.244 25.517 2.725 708 HB2 ALA 94 HB2 ALA 94 -13.973 26.979 3.672 709 HB3 ALA 94 HB3 ALA 94 -13.495 26.926 1.976 710 H ILE 95 H ILE 95 -14.449 28.115 0.271 711 HA ILE 95 HA ILE 95 -14.284 30.821 1.136 712 HB ILE 95 HB ILE 95 -14.123 29.871 -1.724 713 HG12 ILE 95 HG12 ILE 95 -12.722 28.358 -0.477 714 HG13 ILE 95 HG13 ILE 95 -11.669 29.553 -1.231 715 HG21 ILE 95 HG21 ILE 95 -12.802 32.113 -0.169 716 HG22 ILE 95 HG22 ILE 95 -14.069 32.293 -1.382 717 HG23 ILE 95 HG23 ILE 95 -12.468 31.724 -1.856 718 HD11 ILE 95 HD11 ILE 95 -10.884 29.400 1.000 719 HD12 ILE 95 HD12 ILE 95 -12.518 29.365 1.660 720 HD13 ILE 95 HD13 ILE 95 -11.871 30.862 0.988 721 H HIS 96 H HIS 96 -16.796 28.977 -0.280 722 HA HIS 96 HA HIS 96 -18.147 30.983 -1.743 723 HB2 HIS 96 HB2 HIS 96 -18.611 28.491 -1.799 724 HB3 HIS 96 HB3 HIS 96 -19.457 28.694 -0.265 725 HD1 HIS 96 HD1 HIS 96 -21.511 30.455 -0.312 726 HD2 HIS 96 HD2 HIS 96 -20.119 29.198 -4.035 727 HE1 HIS 96 HE1 HIS 96 -23.296 31.085 -1.992 728 HE2 HIS 96 HE2 HIS 96 -22.462 30.331 -4.269 729 H HIS 97 H HIS 97 -18.297 30.013 1.664 730 HA HIS 97 HA HIS 97 -20.437 31.784 2.335 731 HB2 HIS 97 HB2 HIS 97 -19.658 29.727 3.649 732 HB3 HIS 97 HB3 HIS 97 -18.348 30.741 4.251 733 HD1 HIS 97 HD1 HIS 97 -21.882 29.944 4.800 734 HD2 HIS 97 HD2 HIS 97 -19.347 33.128 5.706 735 HE1 HIS 97 HE1 HIS 97 -23.051 31.299 6.589 736 HE2 HIS 97 HE2 HIS 97 -21.518 33.244 7.156 737 H ALA 98 H ALA 98 -16.987 31.909 3.268 738 HA ALA 98 HA ALA 98 -16.858 34.408 4.341 739 HB1 ALA 98 HB1 ALA 98 -14.832 33.107 2.506 740 HB2 ALA 98 HB2 ALA 98 -14.915 32.954 4.262 741 HB3 ALA 98 HB3 ALA 98 -14.504 34.505 3.529 742 H ASN 99 H ASN 99 -17.258 33.605 0.967 743 HA ASN 99 HA ASN 99 -18.075 36.268 0.328 744 HB2 ASN 99 HB2 ASN 99 -16.270 36.628 -1.411 745 HB3 ASN 99 HB3 ASN 99 -15.744 36.797 0.263 746 HD21 ASN 99 HD21 ASN 99 -14.556 34.904 1.218 747 HD22 ASN 99 HD22 ASN 99 -13.713 33.852 0.186 748 H HIS 100 H HIS 100 -19.482 36.166 -1.305 749 HA HIS 100 HA HIS 100 -19.920 33.652 -2.657 750 HB2 HIS 100 HB2 HIS 100 -21.279 36.347 -2.923 751 HB3 HIS 100 HB3 HIS 100 -21.840 34.861 -3.684 752 HD1 HIS 100 HD1 HIS 100 -22.821 33.011 -2.128 753 HD2 HIS 100 HD2 HIS 100 -21.731 36.500 -0.122 754 HE1 HIS 100 HE1 HIS 100 -23.823 32.845 0.191 755 HE2 HIS 100 HE2 HIS 100 -23.164 34.960 1.430 756 HA PRO 101 HA PRO 101 -17.559 34.789 -6.256 757 HB2 PRO 101 HB2 PRO 101 -18.628 33.185 -8.171 758 HB3 PRO 101 HB3 PRO 101 -17.710 32.523 -6.806 759 HG2 PRO 101 HG2 PRO 101 -20.679 32.746 -7.148 760 HG3 PRO 101 HG3 PRO 101 -19.721 31.357 -6.608 761 HD2 PRO 101 HD2 PRO 101 -20.988 33.031 -4.853 762 HD3 PRO 101 HD3 PRO 101 -19.466 32.211 -4.449 763 H LYS 102 H LYS 102 -21.071 34.594 -6.862 764 HA LYS 102 HA LYS 102 -21.160 36.249 -9.124 765 HB2 LYS 102 HB2 LYS 102 -23.234 35.778 -6.969 766 HB3 LYS 102 HB3 LYS 102 -23.555 36.595 -8.498 767 HG2 LYS 102 HG2 LYS 102 -22.758 34.556 -9.705 768 HG3 LYS 102 HG3 LYS 102 -22.580 33.744 -8.150 769 HD2 LYS 102 HD2 LYS 102 -24.963 33.997 -7.697 770 HD3 LYS 102 HD3 LYS 102 -25.174 34.938 -9.174 771 HE2 LYS 102 HE2 LYS 102 -25.872 32.679 -9.656 772 HE3 LYS 102 HE3 LYS 102 -24.324 32.932 -10.462 773 HZ1 LYS 102 HZ1 LYS 102 -23.587 32.063 -8.017 774 HZ2 LYS 102 HZ2 LYS 102 -23.714 31.084 -9.398 775 HZ3 LYS 102 HZ3 LYS 102 -25.000 31.163 -8.292 776 H GLU 103 H GLU 103 -22.834 37.426 -6.286 777 HA GLU 103 HA GLU 103 -22.347 40.123 -6.780 778 HB2 GLU 103 HB2 GLU 103 -22.797 38.906 -4.048 779 HB3 GLU 103 HB3 GLU 103 -23.192 40.545 -4.568 780 HG2 GLU 103 HG2 GLU 103 -24.759 39.565 -6.265 781 HG3 GLU 103 HG3 GLU 103 -24.441 37.974 -5.576 782 H ASN 9 H ASN 9 -4.606 38.882 -0.479 783 HA ASN 9 HA ASN 9 -5.450 36.858 -0.935 784 HB2 ASN 9 HB2 ASN 9 -2.837 36.370 -2.386 785 HB3 ASN 9 HB3 ASN 9 -4.086 35.140 -2.205 786 HD21 ASN 9 HD21 ASN 9 -5.614 38.138 -2.373 787 HD22 ASN 9 HD22 ASN 9 -5.960 38.155 -4.035 788 H THR 10 H THR 10 -2.747 37.736 0.769 789 HA THR 10 HA THR 10 -2.213 35.160 2.037 790 HB THR 10 HB THR 10 -0.309 36.589 1.732 791 HG1 THR 10 HG1 THR 10 0.400 36.375 3.717 792 HG21 THR 10 HG21 THR 10 -1.386 38.732 1.473 793 HG22 THR 10 HG22 THR 10 -0.279 38.862 2.840 794 HG23 THR 10 HG23 THR 10 -2.010 38.676 3.122 795 H ASP 11 H ASP 11 -4.063 38.063 2.590 796 HA ASP 11 HA ASP 11 -4.514 37.623 5.394 797 HB2 ASP 11 HB2 ASP 11 -6.251 39.363 5.134 798 HB3 ASP 11 HB3 ASP 11 -4.713 39.863 4.432 799 H THR 12 H THR 12 -5.700 36.226 2.536 800 HA THR 12 HA THR 12 -8.332 35.544 3.479 801 HB THR 12 HB THR 12 -8.416 34.103 1.488 802 HG1 THR 12 HG1 THR 12 -6.519 34.119 0.147 803 HG21 THR 12 HG21 THR 12 -7.103 36.786 0.956 804 HG22 THR 12 HG22 THR 12 -8.823 36.533 1.252 805 HG23 THR 12 HG23 THR 12 -8.071 35.866 -0.196 806 H LEU 13 H LEU 13 -5.430 33.572 2.800 807 HA LEU 13 HA LEU 13 -6.248 31.168 3.869 808 HB2 LEU 13 HB2 LEU 13 -3.554 32.517 3.757 809 HB3 LEU 13 HB3 LEU 13 -3.724 30.936 4.517 810 HG LEU 13 HG LEU 13 -4.644 30.003 2.457 811 HD11 LEU 13 HD11 LEU 13 -4.413 32.858 1.488 812 HD12 LEU 13 HD12 LEU 13 -5.853 31.840 1.524 813 HD13 LEU 13 HD13 LEU 13 -4.555 31.493 0.383 814 HD21 LEU 13 HD21 LEU 13 -2.139 31.635 1.937 815 HD22 LEU 13 HD22 LEU 13 -2.642 30.205 1.035 816 HD23 LEU 13 HD23 LEU 13 -2.184 30.061 2.733 817 H GLU 14 H GLU 14 -5.212 34.071 5.550 818 HA GLU 14 HA GLU 14 -4.878 32.934 8.116 819 HB2 GLU 14 HB2 GLU 14 -4.192 35.273 7.261 820 HB3 GLU 14 HB3 GLU 14 -5.847 35.750 7.626 821 HG2 GLU 14 HG2 GLU 14 -3.960 34.467 9.625 822 HG3 GLU 14 HG3 GLU 14 -4.249 36.199 9.500 823 H ARG 15 H ARG 15 -7.644 34.755 6.766 824 HA ARG 15 HA ARG 15 -9.349 34.211 8.977 825 HB2 ARG 15 HB2 ARG 15 -9.974 35.068 6.141 826 HB3 ARG 15 HB3 ARG 15 -11.161 35.005 7.444 827 HG2 ARG 15 HG2 ARG 15 -9.601 36.532 8.767 828 HG3 ARG 15 HG3 ARG 15 -8.697 36.754 7.269 829 HD2 ARG 15 HD2 ARG 15 -10.823 37.492 6.164 830 HD3 ARG 15 HD3 ARG 15 -11.620 37.404 7.732 831 HE ARG 15 HE ARG 15 -9.832 39.478 6.836 832 HH11 ARG 15 HH21 ARG 15 -11.066 37.724 9.553 833 HH12 ARG 15 HH22 ARG 15 -10.790 39.008 10.682 834 HH21 ARG 15 HH11 ARG 15 -9.474 41.168 8.311 835 HH22 ARG 15 HH12 ARG 15 -9.882 40.955 9.980 836 H VAL 16 H VAL 16 -8.926 32.678 5.807 837 HA VAL 16 HA VAL 16 -11.094 30.906 5.925 838 HB VAL 16 HB VAL 16 -8.391 30.555 4.606 839 HG11 VAL 16 HG11 VAL 16 -9.740 28.955 3.144 840 HG12 VAL 16 HG12 VAL 16 -10.987 29.015 4.389 841 HG13 VAL 16 HG13 VAL 16 -9.386 28.384 4.774 842 HG21 VAL 16 HG21 VAL 16 -11.043 31.333 3.373 843 HG22 VAL 16 HG22 VAL 16 -9.440 31.434 2.645 844 HG23 VAL 16 HG23 VAL 16 -9.885 32.530 3.953 845 H THR 17 H THR 17 -8.214 30.987 7.762 846 HA THR 17 HA THR 17 -8.237 28.147 8.438 847 HB THR 17 HB THR 17 -6.611 30.444 9.560 848 HG1 THR 17 HG1 THR 17 -5.204 28.665 8.208 849 HG21 THR 17 HG21 THR 17 -6.683 28.698 11.193 850 HG22 THR 17 HG22 THR 17 -5.158 28.491 10.332 851 HG23 THR 17 HG23 THR 17 -6.530 27.446 9.960 852 H GLU 18 H GLU 18 -9.295 31.219 9.748 853 HA GLU 18 HA GLU 18 -9.858 30.278 12.386 854 HB2 GLU 18 HB2 GLU 18 -9.529 32.670 11.852 855 HB3 GLU 18 HB3 GLU 18 -11.011 32.651 10.899 856 HG2 GLU 18 HG2 GLU 18 -12.352 32.191 12.829 857 HG3 GLU 18 HG3 GLU 18 -10.932 31.843 13.813 858 H ILE 19 H ILE 19 -11.476 30.030 9.355 859 HA ILE 19 HA ILE 19 -14.146 29.844 10.157 860 HB ILE 19 HB ILE 19 -13.020 29.819 7.795 861 HG12 ILE 19 HG12 ILE 19 -15.410 29.961 8.055 862 HG13 ILE 19 HG13 ILE 19 -15.053 28.770 6.809 863 HG21 ILE 19 HG21 ILE 19 -13.429 26.847 8.140 864 HG22 ILE 19 HG22 ILE 19 -11.850 27.624 8.241 865 HG23 ILE 19 HG23 ILE 19 -12.772 27.693 6.739 866 HD11 ILE 19 HD11 ILE 19 -16.042 28.330 9.614 867 HD12 ILE 19 HD12 ILE 19 -15.178 27.042 8.771 868 HD13 ILE 19 HD13 ILE 19 -16.674 27.686 8.102 869 H PHE 20 H PHE 20 -11.621 27.356 10.018 870 HA PHE 20 HA PHE 20 -13.269 25.223 10.935 871 HB2 PHE 20 HB2 PHE 20 -10.273 25.439 11.267 872 HB3 PHE 20 HB3 PHE 20 -11.247 23.973 11.151 873 HD1 PHE 20 HD1 PHE 20 -12.863 23.967 8.976 874 HD2 PHE 20 HD2 PHE 20 -9.123 26.054 9.314 875 HE1 PHE 20 HE1 PHE 20 -12.638 23.966 6.507 876 HE2 PHE 20 HE2 PHE 20 -8.899 26.052 6.845 877 HZ PHE 20 HZ PHE 20 -10.655 25.007 5.441 878 H LYS 21 H LYS 21 -10.754 27.134 12.605 879 HA LYS 21 HA LYS 21 -11.048 26.088 15.148 880 HB2 LYS 21 HB2 LYS 21 -10.457 28.949 14.352 881 HB3 LYS 21 HB3 LYS 21 -10.207 28.283 15.966 882 HG2 LYS 21 HG2 LYS 21 -8.764 26.485 14.802 883 HG3 LYS 21 HG3 LYS 21 -8.792 27.551 13.398 884 HD2 LYS 21 HD2 LYS 21 -7.881 28.409 16.161 885 HD3 LYS 21 HD3 LYS 21 -6.792 27.889 14.876 886 HE2 LYS 21 HE2 LYS 21 -7.836 29.695 13.420 887 HE3 LYS 21 HE3 LYS 21 -8.620 30.301 14.879 888 HZ1 LYS 21 HZ1 LYS 21 -6.318 31.218 14.168 889 HZ2 LYS 21 HZ2 LYS 21 -5.724 29.804 14.898 890 HZ3 LYS 21 HZ3 LYS 21 -6.635 30.914 15.808 891 H ALA 22 H ALA 22 -13.216 28.093 13.377 892 HA ALA 22 HA ALA 22 -14.624 29.373 15.426 893 HB1 ALA 22 HB1 ALA 22 -15.934 28.276 12.940 894 HB2 ALA 22 HB2 ALA 22 -14.864 29.676 12.896 895 HB3 ALA 22 HB3 ALA 22 -16.351 29.731 13.843 896 H LEU 23 H LEU 23 -14.908 26.086 14.166 897 HA LEU 23 HA LEU 23 -17.318 25.399 15.483 898 HB2 LEU 23 HB2 LEU 23 -15.003 23.798 14.399 899 HB3 LEU 23 HB3 LEU 23 -16.345 23.010 15.227 900 HG LEU 23 HG LEU 23 -17.931 23.979 13.628 901 HD11 LEU 23 HD11 LEU 23 -16.976 26.061 13.026 902 HD12 LEU 23 HD12 LEU 23 -16.867 25.097 11.557 903 HD13 LEU 23 HD13 LEU 23 -15.441 25.322 12.569 904 HD21 LEU 23 HD21 LEU 23 -17.200 22.731 11.628 905 HD22 LEU 23 HD22 LEU 23 -16.866 21.814 13.098 906 HD23 LEU 23 HD23 LEU 23 -15.558 22.661 12.271 907 H GLY 24 H GLY 24 -14.345 26.209 16.725 908 HA2 GLY 24 HA2 GLY 24 -13.241 25.798 18.735 909 HA3 GLY 24 HA3 GLY 24 -14.855 26.110 19.360 910 H ASP 25 H ASP 25 -15.343 24.645 20.856 911 HA ASP 25 HA ASP 25 -14.146 22.034 20.918 912 HB2 ASP 25 HB2 ASP 25 -16.471 23.042 22.567 913 HB3 ASP 25 HB3 ASP 25 -15.377 21.716 22.956 914 H TYR 26 H TYR 26 -15.686 20.106 21.375 915 HA TYR 26 HA TYR 26 -17.123 19.607 18.977 916 HB2 TYR 26 HB2 TYR 26 -17.821 17.493 20.230 917 HB3 TYR 26 HB3 TYR 26 -16.088 17.743 20.023 918 HD1 TYR 26 HD2 TYR 26 -14.669 18.396 21.909 919 HD2 TYR 26 HD1 TYR 26 -18.888 17.762 22.410 920 HE1 TYR 26 HE2 TYR 26 -14.369 18.337 24.370 921 HE2 TYR 26 HE1 TYR 26 -18.587 17.699 24.871 922 HH TYR 26 HH TYR 26 -16.386 18.872 26.482 923 H ASN 27 H ASN 27 -18.174 20.163 22.336 924 HA ASN 27 HA ASN 27 -20.865 19.722 22.156 925 HB2 ASN 27 HB2 ASN 27 -19.366 21.900 23.612 926 HB3 ASN 27 HB3 ASN 27 -21.101 21.658 23.803 927 HD21 ASN 27 HD21 ASN 27 -18.177 20.821 25.184 928 HD22 ASN 27 HD22 ASN 27 -18.637 19.367 25.929 929 H ARG 28 H ARG 28 -19.057 22.435 20.858 930 HA ARG 28 HA ARG 28 -21.255 24.090 20.177 931 HB2 ARG 28 HB2 ARG 28 -18.709 24.618 20.213 932 HB3 ARG 28 HB3 ARG 28 -18.693 23.947 18.590 933 HG2 ARG 28 HG2 ARG 28 -19.094 26.186 18.099 934 HG3 ARG 28 HG3 ARG 28 -20.748 25.599 18.216 935 HD2 ARG 28 HD2 ARG 28 -20.477 27.685 19.480 936 HD3 ARG 28 HD3 ARG 28 -20.832 26.354 20.577 937 HE ARG 28 HE ARG 28 -18.011 26.730 20.255 938 HH11 ARG 28 HH21 ARG 28 -20.867 27.909 21.814 939 HH12 ARG 28 HH22 ARG 28 -20.015 28.597 23.156 940 HH21 ARG 28 HH11 ARG 28 -16.889 27.630 22.010 941 HH22 ARG 28 HH12 ARG 28 -17.763 28.441 23.267 942 H ILE 29 H ILE 29 -19.687 21.381 18.597 943 HA ILE 29 HA ILE 29 -20.894 21.728 16.048 944 HB ILE 29 HB ILE 29 -19.853 19.156 17.248 945 HG12 ILE 29 HG12 ILE 29 -18.358 21.306 15.715 946 HG13 ILE 29 HG13 ILE 29 -18.215 21.027 17.451 947 HG21 ILE 29 HG21 ILE 29 -20.050 20.145 14.386 948 HG22 ILE 29 HG22 ILE 29 -21.134 18.966 15.125 949 HG23 ILE 29 HG23 ILE 29 -19.430 18.576 14.900 950 HD11 ILE 29 HD11 ILE 29 -17.568 18.628 16.886 951 HD12 ILE 29 HD12 ILE 29 -16.387 19.859 16.439 952 HD13 ILE 29 HD13 ILE 29 -17.434 19.154 15.207 953 H ARG 30 H ARG 30 -21.950 20.175 19.018 954 HA ARG 30 HA ARG 30 -23.986 18.558 17.879 955 HB2 ARG 30 HB2 ARG 30 -23.020 18.393 20.230 956 HB3 ARG 30 HB3 ARG 30 -23.989 19.802 20.634 957 HG2 ARG 30 HG2 ARG 30 -25.411 18.057 21.267 958 HG3 ARG 30 HG3 ARG 30 -25.985 18.419 19.645 959 HD2 ARG 30 HD2 ARG 30 -24.788 16.537 18.725 960 HD3 ARG 30 HD3 ARG 30 -23.936 16.264 20.242 961 HE ARG 30 HE ARG 30 -25.800 15.149 21.033 962 HH11 ARG 30 HH21 ARG 30 -26.594 17.061 18.259 963 HH12 ARG 30 HH22 ARG 30 -28.196 16.422 18.108 964 HH21 ARG 30 HH11 ARG 30 -27.899 14.310 20.840 965 HH22 ARG 30 HH12 ARG 30 -28.932 14.859 19.565 966 H ILE 31 H ILE 31 -23.787 21.918 18.840 967 HA ILE 31 HA ILE 31 -26.553 22.524 18.844 968 HB ILE 31 HB ILE 31 -24.301 24.388 18.065 969 HG12 ILE 31 HG12 ILE 31 -25.338 23.693 20.832 970 HG13 ILE 31 HG13 ILE 31 -23.782 23.183 20.176 971 HG21 ILE 31 HG21 ILE 31 -26.943 24.894 19.466 972 HG22 ILE 31 HG22 ILE 31 -26.668 25.156 17.744 973 HG23 ILE 31 HG23 ILE 31 -25.781 26.110 18.934 974 HD11 ILE 31 HD11 ILE 31 -23.219 25.616 19.830 975 HD12 ILE 31 HD12 ILE 31 -23.397 25.152 21.522 976 HD13 ILE 31 HD13 ILE 31 -24.695 26.022 20.705 977 H MET 32 H MET 32 -24.084 22.578 16.302 978 HA MET 32 HA MET 32 -25.720 23.657 14.259 979 HB2 MET 32 HB2 MET 32 -23.379 21.769 13.917 980 HB3 MET 32 HB3 MET 32 -24.000 22.922 12.735 981 HG2 MET 32 HG2 MET 32 -23.460 24.773 14.336 982 HG3 MET 32 HG3 MET 32 -22.714 23.581 15.401 983 HE1 MET 32 HE1 MET 32 -19.749 25.592 13.832 984 HE2 MET 32 HE2 MET 32 -20.544 25.085 15.321 985 HE3 MET 32 HE3 MET 32 -21.368 26.182 14.214 986 H GLU 33 H GLU 33 -24.953 20.307 15.177 987 HA GLU 33 HA GLU 33 -26.280 18.975 13.118 988 HB2 GLU 33 HB2 GLU 33 -24.825 17.957 14.932 989 HB3 GLU 33 HB3 GLU 33 -26.228 18.051 15.996 990 HG2 GLU 33 HG2 GLU 33 -26.285 15.859 15.058 991 HG3 GLU 33 HG3 GLU 33 -27.508 16.776 14.184 992 H LEU 34 H LEU 34 -27.529 20.571 15.969 993 HA LEU 34 HA LEU 34 -30.168 19.450 15.765 994 HB2 LEU 34 HB2 LEU 34 -28.915 20.511 17.823 995 HB3 LEU 34 HB3 LEU 34 -29.551 22.023 17.203 996 HG LEU 34 HG LEU 34 -31.106 21.204 18.826 997 HD11 LEU 34 HD11 LEU 34 -32.314 20.471 16.160 998 HD12 LEU 34 HD12 LEU 34 -31.966 22.139 16.625 999 HD13 LEU 34 HD13 LEU 34 -33.114 21.183 17.560 1000 HD21 LEU 34 HD21 LEU 34 -31.879 19.046 19.046 1001 HD22 LEU 34 HD22 LEU 34 -30.269 18.716 18.423 1002 HD23 LEU 34 HD23 LEU 34 -31.661 18.650 17.347 1003 H LEU 35 H LEU 35 -28.971 22.789 15.328 1004 HA LEU 35 HA LEU 35 -31.300 23.760 14.081 1005 HB2 LEU 35 HB2 LEU 35 -28.490 24.775 13.613 1006 HB3 LEU 35 HB3 LEU 35 -29.994 25.683 13.476 1007 HG LEU 35 HG LEU 35 -28.963 24.449 16.049 1008 HD11 LEU 35 HD11 LEU 35 -27.549 26.319 15.159 1009 HD12 LEU 35 HD12 LEU 35 -28.330 26.702 16.693 1010 HD13 LEU 35 HD13 LEU 35 -28.976 27.355 15.188 1011 HD21 LEU 35 HD21 LEU 35 -31.313 24.654 16.239 1012 HD22 LEU 35 HD22 LEU 35 -31.344 26.165 15.330 1013 HD23 LEU 35 HD23 LEU 35 -30.702 26.133 16.971 1014 H SER 36 H SER 36 -29.127 21.495 12.959 1015 HA SER 36 HA SER 36 -29.187 22.229 10.151 1016 HB2 SER 36 HB2 SER 36 -27.236 21.062 10.745 1017 HB3 SER 36 HB3 SER 36 -28.122 19.889 11.718 1018 HG SER 36 HG SER 36 -28.717 20.107 8.995 1019 H VAL 37 H VAL 37 -30.708 19.815 12.260 1020 HA VAL 37 HA VAL 37 -32.202 18.545 10.193 1021 HB VAL 37 HB VAL 37 -32.656 18.632 13.186 1022 HG11 VAL 37 HG11 VAL 37 -33.875 16.968 10.971 1023 HG12 VAL 37 HG12 VAL 37 -34.714 17.972 12.154 1024 HG13 VAL 37 HG13 VAL 37 -33.923 16.481 12.666 1025 HG21 VAL 37 HG21 VAL 37 -31.572 16.409 13.121 1026 HG22 VAL 37 HG22 VAL 37 -30.488 17.663 12.520 1027 HG23 VAL 37 HG23 VAL 37 -31.310 16.591 11.386 1028 H SER 38 H SER 38 -32.656 21.424 12.071 1029 HA SER 38 HA SER 38 -34.685 22.470 10.486 1030 HB2 SER 38 HB2 SER 38 -36.322 20.944 11.152 1031 HB3 SER 38 HB3 SER 38 -35.655 20.792 12.777 1032 HG SER 38 HG SER 38 -36.866 22.380 13.382 1033 H GLU 39 H GLU 39 -34.825 24.592 10.905 1034 HA GLU 39 HA GLU 39 -33.200 25.882 12.735 1035 HB2 GLU 39 HB2 GLU 39 -34.661 27.880 12.357 1036 HB3 GLU 39 HB3 GLU 39 -34.131 27.094 10.873 1037 HG2 GLU 39 HG2 GLU 39 -36.775 26.403 12.164 1038 HG3 GLU 39 HG3 GLU 39 -36.620 27.753 11.046 1039 H ALA 40 H ALA 40 -33.883 27.305 14.561 1040 HA ALA 40 HA ALA 40 -36.246 26.530 16.050 1041 HB1 ALA 40 HB1 ALA 40 -34.715 24.708 16.649 1042 HB2 ALA 40 HB2 ALA 40 -34.992 25.764 18.034 1043 HB3 ALA 40 HB3 ALA 40 -33.487 25.881 17.122 1044 H SER 41 H SER 41 -36.615 27.874 17.888 1045 HA SER 41 HA SER 41 -35.442 30.530 17.609 1046 HB2 SER 41 HB2 SER 41 -37.888 30.241 17.916 1047 HB3 SER 41 HB3 SER 41 -37.585 29.524 19.499 1048 HG SER 41 HG SER 41 -38.024 31.911 19.299 1049 H VAL 42 H VAL 42 -35.642 31.419 20.245 1050 HA VAL 42 HA VAL 42 -33.163 30.399 21.334 1051 HB VAL 42 HB VAL 42 -35.084 32.537 22.279 1052 HG11 VAL 42 HG11 VAL 42 -32.459 31.553 23.414 1053 HG12 VAL 42 HG12 VAL 42 -33.999 31.744 24.251 1054 HG13 VAL 42 HG13 VAL 42 -33.085 33.166 23.753 1055 HG21 VAL 42 HG21 VAL 42 -32.295 32.715 21.101 1056 HG22 VAL 42 HG22 VAL 42 -33.362 34.064 21.491 1057 HG23 VAL 42 HG23 VAL 42 -33.779 32.962 20.179 1058 H GLY 43 H GLY 43 -36.346 30.944 22.860 1059 HA2 GLY 43 HA2 GLY 43 -35.898 29.341 25.097 1060 HA3 GLY 43 HA3 GLY 43 -37.486 29.763 24.467 1061 H HIS 44 H HIS 44 -37.024 28.471 21.881 1062 HA HIS 44 HA HIS 44 -38.099 25.945 22.428 1063 HB2 HIS 44 HB2 HIS 44 -36.674 26.980 19.969 1064 HB3 HIS 44 HB3 HIS 44 -37.535 25.442 20.033 1065 HD1 HIS 44 HD1 HIS 44 -38.660 28.665 21.680 1066 HD2 HIS 44 HD2 HIS 44 -39.812 26.153 18.557 1067 HE1 HIS 44 HE1 HIS 44 -40.924 29.485 20.901 1068 HE2 HIS 44 HE2 HIS 44 -41.639 27.970 18.993 1069 H ILE 45 H ILE 45 -34.936 27.016 22.785 1070 HA ILE 45 HA ILE 45 -33.598 24.537 22.163 1071 HB ILE 45 HB ILE 45 -32.604 26.909 22.111 1072 HG12 ILE 45 HG12 ILE 45 -31.081 24.724 23.560 1073 HG13 ILE 45 HG13 ILE 45 -31.300 24.823 21.812 1074 HG21 ILE 45 HG21 ILE 45 -31.889 26.420 24.998 1075 HG22 ILE 45 HG22 ILE 45 -33.392 27.245 24.606 1076 HG23 ILE 45 HG23 ILE 45 -31.854 27.923 24.077 1077 HD11 ILE 45 HD11 ILE 45 -29.171 25.801 22.229 1078 HD12 ILE 45 HD12 ILE 45 -29.779 26.719 23.606 1079 HD13 ILE 45 HD13 ILE 45 -30.262 27.162 21.969 1080 H SER 46 H SER 46 -34.894 26.075 25.041 1081 HA SER 46 HA SER 46 -33.713 24.693 27.080 1082 HB2 SER 46 HB2 SER 46 -35.564 26.457 27.213 1083 HB3 SER 46 HB3 SER 46 -36.699 25.123 27.004 1084 HG SER 46 HG SER 46 -35.001 25.724 29.133 1085 H HIS 47 H HIS 47 -36.096 23.515 24.800 1086 HA HIS 47 HA HIS 47 -36.514 21.011 26.216 1087 HB2 HIS 47 HB2 HIS 47 -38.298 22.171 24.874 1088 HB3 HIS 47 HB3 HIS 47 -37.380 21.775 23.421 1089 HD1 HIS 47 HD1 HIS 47 -37.767 19.505 22.440 1090 HD2 HIS 47 HD2 HIS 47 -39.070 19.721 26.394 1091 HE1 HIS 47 HE1 HIS 47 -38.932 17.313 22.929 1092 HE2 HIS 47 HE2 HIS 47 -39.740 17.429 25.333 1093 H GLN 48 H GLN 48 -34.326 22.255 23.881 1094 HA GLN 48 HA GLN 48 -33.711 19.692 22.664 1095 HB2 GLN 48 HB2 GLN 48 -32.330 22.377 22.447 1096 HB3 GLN 48 HB3 GLN 48 -31.987 20.963 21.451 1097 HG2 GLN 48 HG2 GLN 48 -34.264 20.983 20.572 1098 HG3 GLN 48 HG3 GLN 48 -34.693 22.317 21.641 1099 HE21 GLN 48 HE21 GLN 48 -35.189 23.123 19.205 1100 HE22 GLN 48 HE22 GLN 48 -33.930 24.013 18.495 1101 H LEU 49 H LEU 49 -31.835 22.050 24.589 1102 HA LEU 49 HA LEU 49 -30.053 19.843 25.480 1103 HB2 LEU 49 HB2 LEU 49 -29.424 22.793 25.522 1104 HB3 LEU 49 HB3 LEU 49 -28.309 21.436 25.658 1105 HG LEU 49 HG LEU 49 -29.933 22.160 23.201 1106 HD11 LEU 49 HD11 LEU 49 -27.711 22.673 22.231 1107 HD12 LEU 49 HD12 LEU 49 -26.961 22.324 23.789 1108 HD13 LEU 49 HD13 LEU 49 -28.058 23.695 23.626 1109 HD21 LEU 49 HD21 LEU 49 -28.058 19.876 23.841 1110 HD22 LEU 49 HD22 LEU 49 -28.354 20.389 22.181 1111 HD23 LEU 49 HD23 LEU 49 -29.687 19.798 23.168 1112 H ASN 50 H ASN 50 -32.130 22.468 26.505 1113 HA ASN 50 HA ASN 50 -32.868 23.117 28.583 1114 HB2 ASN 50 HB2 ASN 50 -33.429 20.661 28.668 1115 HB3 ASN 50 HB3 ASN 50 -31.901 20.409 29.512 1116 HD21 ASN 50 HD21 ASN 50 -31.904 20.765 31.757 1117 HD22 ASN 50 HD22 ASN 50 -33.179 21.497 32.605 1118 H LEU 51 H LEU 51 -31.126 24.686 28.589 1119 HA LEU 51 HA LEU 51 -29.256 24.259 30.826 1120 HB2 LEU 51 HB2 LEU 51 -28.479 25.381 28.120 1121 HB3 LEU 51 HB3 LEU 51 -27.451 25.369 29.544 1122 HG LEU 51 HG LEU 51 -28.595 22.864 28.270 1123 HD11 LEU 51 HD11 LEU 51 -25.893 24.190 27.925 1124 HD12 LEU 51 HD12 LEU 51 -27.119 23.957 26.678 1125 HD13 LEU 51 HD13 LEU 51 -26.285 22.565 27.367 1126 HD21 LEU 51 HD21 LEU 51 -27.997 22.328 30.492 1127 HD22 LEU 51 HD22 LEU 51 -26.607 23.412 30.479 1128 HD23 LEU 51 HD23 LEU 51 -26.558 21.901 29.576 1129 H SER 52 H SER 52 -28.079 26.546 31.113 1130 HA SER 52 HA SER 52 -30.119 28.380 31.854 1131 HB2 SER 52 HB2 SER 52 -27.138 28.852 31.577 1132 HB3 SER 52 HB3 SER 52 -28.274 29.867 32.465 1133 HG SER 52 HG SER 52 -27.065 27.561 33.209 1134 H GLN 53 H GLN 53 -31.005 30.056 30.775 1135 HA GLN 53 HA GLN 53 -30.712 30.289 27.986 1136 HB2 GLN 53 HB2 GLN 53 -32.073 32.366 28.251 1137 HB3 GLN 53 HB3 GLN 53 -32.765 30.968 29.071 1138 HG2 GLN 53 HG2 GLN 53 -31.642 31.747 31.186 1139 HG3 GLN 53 HG3 GLN 53 -31.175 33.217 30.333 1140 HE21 GLN 53 HE21 GLN 53 -33.548 33.674 28.817 1141 HE22 GLN 53 HE22 GLN 53 -34.817 34.013 29.892 1142 H SER 54 H SER 54 -29.332 32.177 30.651 1143 HA SER 54 HA SER 54 -28.229 34.294 29.238 1144 HB2 SER 54 HB2 SER 54 -26.964 32.824 31.565 1145 HB3 SER 54 HB3 SER 54 -26.596 34.469 31.048 1146 HG SER 54 HG SER 54 -29.229 33.688 31.674 1147 H ASN 55 H ASN 55 -27.218 30.967 29.421 1148 HA ASN 55 HA ASN 55 -24.607 31.357 28.292 1149 HB2 ASN 55 HB2 ASN 55 -25.297 29.375 29.682 1150 HB3 ASN 55 HB3 ASN 55 -26.259 28.824 28.313 1151 HD21 ASN 55 HD21 ASN 55 -25.172 27.455 26.897 1152 HD22 ASN 55 HD22 ASN 55 -23.484 27.371 26.731 1153 H VAL 56 H VAL 56 -27.818 30.740 27.030 1154 HA VAL 56 HA VAL 56 -26.899 30.148 24.356 1155 HB VAL 56 HB VAL 56 -29.669 30.725 25.431 1156 HG11 VAL 56 HG11 VAL 56 -29.682 31.143 23.071 1157 HG12 VAL 56 HG12 VAL 56 -30.324 29.515 23.286 1158 HG13 VAL 56 HG13 VAL 56 -28.660 29.743 22.752 1159 HG21 VAL 56 HG21 VAL 56 -29.921 28.286 25.354 1160 HG22 VAL 56 HG22 VAL 56 -28.550 28.714 26.376 1161 HG23 VAL 56 HG23 VAL 56 -28.277 28.120 24.739 1162 H SER 57 H SER 57 -28.621 32.873 25.888 1163 HA SER 57 HA SER 57 -28.842 34.487 23.598 1164 HB2 SER 57 HB2 SER 57 -28.972 36.381 25.263 1165 HB3 SER 57 HB3 SER 57 -30.099 35.059 25.558 1166 HG SER 57 HG SER 57 -28.568 35.989 27.313 1167 H HIS 58 H HIS 58 -26.264 34.214 26.013 1168 HA HIS 58 HA HIS 58 -24.671 36.335 24.997 1169 HB2 HIS 58 HB2 HIS 58 -23.953 33.924 26.679 1170 HB3 HIS 58 HB3 HIS 58 -22.851 35.258 26.340 1171 HD1 HIS 58 HD1 HIS 58 -26.070 36.746 26.538 1172 HD2 HIS 58 HD2 HIS 58 -23.369 35.353 29.394 1173 HE1 HIS 58 HE1 HIS 58 -26.714 37.842 28.726 1174 HE2 HIS 58 HE2 HIS 58 -25.077 37.006 30.478 1175 H GLN 59 H GLN 59 -24.657 32.828 24.434 1176 HA GLN 59 HA GLN 59 -22.318 32.772 22.856 1177 HB2 GLN 59 HB2 GLN 59 -24.682 30.923 23.129 1178 HB3 GLN 59 HB3 GLN 59 -23.387 30.578 21.985 1179 HG2 GLN 59 HG2 GLN 59 -22.816 31.184 24.889 1180 HG3 GLN 59 HG3 GLN 59 -23.174 29.549 24.335 1181 HE21 GLN 59 HE21 GLN 59 -20.659 29.894 25.393 1182 HE22 GLN 59 HE22 GLN 59 -19.486 29.933 24.165 1183 H LEU 60 H LEU 60 -25.744 32.631 21.776 1184 HA LEU 60 HA LEU 60 -25.342 32.660 19.065 1185 HB2 LEU 60 HB2 LEU 60 -27.455 34.204 20.585 1186 HB3 LEU 60 HB3 LEU 60 -27.524 33.811 18.870 1187 HG LEU 60 HG LEU 60 -27.222 31.683 21.003 1188 HD11 LEU 60 HD11 LEU 60 -29.697 31.339 20.727 1189 HD12 LEU 60 HD12 LEU 60 -29.757 32.853 19.826 1190 HD13 LEU 60 HD13 LEU 60 -29.274 32.856 21.522 1191 HD21 LEU 60 HD21 LEU 60 -26.697 30.785 18.868 1192 HD22 LEU 60 HD22 LEU 60 -27.993 31.682 18.076 1193 HD23 LEU 60 HD23 LEU 60 -28.374 30.331 19.138 1194 H LYS 61 H LYS 61 -24.728 35.230 21.308 1195 HA LYS 61 HA LYS 61 -24.672 37.351 19.380 1196 HB2 LYS 61 HB2 LYS 61 -24.937 37.598 21.902 1197 HB3 LYS 61 HB3 LYS 61 -23.204 37.290 22.020 1198 HG2 LYS 61 HG2 LYS 61 -22.883 39.180 20.340 1199 HG3 LYS 61 HG3 LYS 61 -24.585 39.569 20.587 1200 HD2 LYS 61 HD2 LYS 61 -24.165 39.831 23.011 1201 HD3 LYS 61 HD3 LYS 61 -22.460 39.467 22.750 1202 HE2 LYS 61 HE2 LYS 61 -22.228 41.434 21.312 1203 HE3 LYS 61 HE3 LYS 61 -23.950 41.778 21.469 1204 HZ1 LYS 61 HZ1 LYS 61 -23.475 42.931 23.279 1205 HZ2 LYS 61 HZ2 LYS 61 -21.840 42.480 23.205 1206 HZ3 LYS 61 HZ3 LYS 61 -22.953 41.505 24.039 1207 H LEU 62 H LEU 62 -22.216 35.264 20.867 1208 HA LEU 62 HA LEU 62 -19.943 36.467 19.732 1209 HB2 LEU 62 HB2 LEU 62 -20.238 33.506 20.251 1210 HB3 LEU 62 HB3 LEU 62 -18.768 34.476 20.311 1211 HG LEU 62 HG LEU 62 -21.135 34.705 22.195 1212 HD11 LEU 62 HD11 LEU 62 -19.738 32.715 22.579 1213 HD12 LEU 62 HD12 LEU 62 -19.517 33.890 23.875 1214 HD13 LEU 62 HD13 LEU 62 -18.295 33.728 22.614 1215 HD21 LEU 62 HD21 LEU 62 -20.245 36.894 22.011 1216 HD22 LEU 62 HD22 LEU 62 -18.587 36.303 21.887 1217 HD23 LEU 62 HD23 LEU 62 -19.441 36.223 23.427 1218 H LEU 63 H LEU 63 -22.195 34.072 18.459 1219 HA LEU 63 HA LEU 63 -20.643 33.412 16.154 1220 HB2 LEU 63 HB2 LEU 63 -23.642 33.166 16.344 1221 HB3 LEU 63 HB3 LEU 63 -22.509 32.148 15.455 1222 HG LEU 63 HG LEU 63 -22.786 32.349 18.468 1223 HD11 LEU 63 HD11 LEU 63 -24.508 30.985 17.367 1224 HD12 LEU 63 HD12 LEU 63 -23.387 29.953 18.256 1225 HD13 LEU 63 HD13 LEU 63 -23.260 30.087 16.502 1226 HD21 LEU 63 HD21 LEU 63 -20.749 30.972 16.708 1227 HD22 LEU 63 HD22 LEU 63 -21.068 30.436 18.358 1228 HD23 LEU 63 HD23 LEU 63 -20.459 32.064 18.063 1229 H LYS 64 H LYS 64 -22.790 36.010 16.953 1230 HA LYS 64 HA LYS 64 -23.551 36.782 14.333 1231 HB2 LYS 64 HB2 LYS 64 -24.579 37.580 16.509 1232 HB3 LYS 64 HB3 LYS 64 -23.173 38.627 16.698 1233 HG2 LYS 64 HG2 LYS 64 -23.671 39.705 14.543 1234 HG3 LYS 64 HG3 LYS 64 -25.060 38.639 14.321 1235 HD2 LYS 64 HD2 LYS 64 -26.208 39.596 16.190 1236 HD3 LYS 64 HD3 LYS 64 -24.760 40.443 16.733 1237 HE2 LYS 64 HE2 LYS 64 -24.799 41.811 14.668 1238 HE3 LYS 64 HE3 LYS 64 -26.267 40.979 14.155 1239 HZ1 LYS 64 HZ1 LYS 64 -27.104 42.835 15.182 1240 HZ2 LYS 64 HZ2 LYS 64 -25.886 42.879 16.365 1241 HZ3 LYS 64 HZ3 LYS 64 -27.126 41.722 16.464 1242 H SER 65 H SER 65 -20.609 37.066 16.099 1243 HA SER 65 HA SER 65 -19.525 39.320 14.715 1244 HB2 SER 65 HB2 SER 65 -18.548 38.791 16.818 1245 HB3 SER 65 HB3 SER 65 -18.295 37.107 16.360 1246 HG SER 65 HG SER 65 -17.142 39.100 14.783 1247 H VAL 66 H VAL 66 -18.729 35.839 14.499 1248 HA VAL 66 HA VAL 66 -17.157 36.101 12.160 1249 HB VAL 66 HB VAL 66 -17.592 33.574 11.991 1250 HG11 VAL 66 HG11 VAL 66 -16.569 34.694 14.619 1251 HG12 VAL 66 HG12 VAL 66 -15.631 34.583 13.130 1252 HG13 VAL 66 HG13 VAL 66 -16.176 33.115 13.940 1253 HG21 VAL 66 HG21 VAL 66 -18.833 33.998 14.717 1254 HG22 VAL 66 HG22 VAL 66 -18.761 32.510 13.774 1255 HG23 VAL 66 HG23 VAL 66 -19.810 33.830 13.260 1256 H HIS 67 H HIS 67 -20.344 36.708 12.474 1257 HA HIS 67 HA HIS 67 -22.092 36.915 11.005 1258 HB2 HIS 67 HB2 HIS 67 -20.013 36.516 8.848 1259 HB3 HIS 67 HB3 HIS 67 -21.550 37.371 8.716 1260 HD1 HIS 67 HD1 HIS 67 -18.118 38.111 9.032 1261 HD2 HIS 67 HD2 HIS 67 -21.529 39.586 10.920 1262 HE1 HIS 67 HE1 HIS 67 -17.480 40.358 10.006 1263 HE2 HIS 67 HE2 HIS 67 -19.547 41.271 11.165 1264 H LEU 68 H LEU 68 -20.820 34.126 11.724 1265 HA LEU 68 HA LEU 68 -21.627 32.455 9.545 1266 HB2 LEU 68 HB2 LEU 68 -19.970 32.123 11.662 1267 HB3 LEU 68 HB3 LEU 68 -21.389 31.325 12.309 1268 HG LEU 68 HG LEU 68 -20.007 29.679 11.240 1269 HD11 LEU 68 HD11 LEU 68 -21.587 28.659 9.792 1270 HD12 LEU 68 HD12 LEU 68 -22.261 30.213 9.306 1271 HD13 LEU 68 HD13 LEU 68 -22.525 29.608 10.944 1272 HD21 LEU 68 HD21 LEU 68 -19.016 31.540 9.612 1273 HD22 LEU 68 HD22 LEU 68 -20.242 30.908 8.514 1274 HD23 LEU 68 HD23 LEU 68 -19.015 29.837 9.175 1275 H VAL 69 H VAL 69 -23.268 34.087 12.009 1276 HA VAL 69 HA VAL 69 -25.765 32.622 11.407 1277 HB VAL 69 HB VAL 69 -24.792 33.392 14.171 1278 HG11 VAL 69 HG11 VAL 69 -27.147 33.787 14.098 1279 HG12 VAL 69 HG12 VAL 69 -26.956 32.188 14.818 1280 HG13 VAL 69 HG13 VAL 69 -27.431 32.343 13.126 1281 HG21 VAL 69 HG21 VAL 69 -23.752 31.339 13.408 1282 HG22 VAL 69 HG22 VAL 69 -25.295 30.730 12.808 1283 HG23 VAL 69 HG23 VAL 69 -25.033 30.911 14.542 1284 H LYS 70 H LYS 70 -27.677 33.863 11.816 1285 HA LYS 70 HA LYS 70 -27.515 36.647 12.505 1286 HB2 LYS 70 HB2 LYS 70 -26.643 36.601 10.134 1287 HB3 LYS 70 HB3 LYS 70 -28.228 36.005 9.636 1288 HG2 LYS 70 HG2 LYS 70 -29.310 38.000 10.492 1289 HG3 LYS 70 HG3 LYS 70 -27.794 38.572 11.189 1290 HD2 LYS 70 HD2 LYS 70 -26.817 38.628 8.882 1291 HD3 LYS 70 HD3 LYS 70 -28.408 38.211 8.242 1292 HE2 LYS 70 HE2 LYS 70 -29.362 40.243 9.233 1293 HE3 LYS 70 HE3 LYS 70 -27.799 40.653 9.937 1294 HZ1 LYS 70 HZ1 LYS 70 -28.515 40.522 7.065 1295 HZ2 LYS 70 HZ2 LYS 70 -26.910 40.614 7.612 1296 HZ3 LYS 70 HZ3 LYS 70 -27.996 41.877 7.946 1297 H ALA 71 H ALA 71 -29.406 37.202 13.377 1298 HA ALA 71 HA ALA 71 -31.751 35.450 12.955 1299 HB1 ALA 71 HB1 ALA 71 -31.134 35.618 15.258 1300 HB2 ALA 71 HB2 ALA 71 -32.570 36.620 15.040 1301 HB3 ALA 71 HB3 ALA 71 -30.979 37.372 15.155 1302 H LYS 72 H LYS 72 -33.872 36.698 13.313 1303 HA LYS 72 HA LYS 72 -33.912 39.389 12.176 1304 HB2 LYS 72 HB2 LYS 72 -35.505 38.764 10.405 1305 HB3 LYS 72 HB3 LYS 72 -33.952 37.962 10.176 1306 HG2 LYS 72 HG2 LYS 72 -34.961 35.988 11.472 1307 HG3 LYS 72 HG3 LYS 72 -36.521 36.780 11.245 1308 HD2 LYS 72 HD2 LYS 72 -34.615 35.900 9.056 1309 HD3 LYS 72 HD3 LYS 72 -36.167 35.162 9.449 1310 HE2 LYS 72 HE2 LYS 72 -35.633 37.875 8.238 1311 HE3 LYS 72 HE3 LYS 72 -36.656 36.579 7.619 1312 HZ1 LYS 72 HZ1 LYS 72 -38.175 36.917 9.439 1313 HZ2 LYS 72 HZ2 LYS 72 -37.942 38.385 8.617 1314 HZ3 LYS 72 HZ3 LYS 72 -37.174 38.114 10.107 1315 H ARG 73 H ARG 73 -36.207 40.223 12.129 1316 HA ARG 73 HA ARG 73 -37.421 39.682 14.680 1317 HB2 ARG 73 HB2 ARG 73 -38.953 41.469 14.107 1318 HB3 ARG 73 HB3 ARG 73 -37.322 41.955 13.643 1319 HG2 ARG 73 HG2 ARG 73 -37.865 41.031 11.318 1320 HG3 ARG 73 HG3 ARG 73 -39.546 40.959 11.850 1321 HD2 ARG 73 HD2 ARG 73 -37.780 43.397 11.581 1322 HD3 ARG 73 HD3 ARG 73 -39.313 43.074 10.776 1323 HE ARG 73 HE ARG 73 -38.972 44.190 13.397 1324 HH11 ARG 73 HH21 ARG 73 -40.967 42.179 11.410 1325 HH12 ARG 73 HH22 ARG 73 -42.421 42.517 12.288 1326 HH21 ARG 73 HH11 ARG 73 -40.876 44.640 14.552 1327 HH22 ARG 73 HH12 ARG 73 -42.370 43.910 14.066 1328 H GLN 74 H GLN 74 -39.186 38.489 15.136 1329 HA GLN 74 HA GLN 74 -40.967 37.555 13.004 1330 HB2 GLN 74 HB2 GLN 74 -39.033 35.909 13.244 1331 HB3 GLN 74 HB3 GLN 74 -39.650 35.568 14.860 1332 HG2 GLN 74 HG2 GLN 74 -40.663 33.934 13.466 1333 HG3 GLN 74 HG3 GLN 74 -41.918 35.145 13.722 1334 HE21 GLN 74 HE21 GLN 74 -42.677 36.307 11.883 1335 HE22 GLN 74 HE22 GLN 74 -42.085 36.050 10.313 1336 H GLY 75 H GLY 75 -42.337 39.030 14.245 1337 HA2 GLY 75 HA2 GLY 75 -44.038 39.428 15.739 1338 HA3 GLY 75 HA3 GLY 75 -44.103 37.682 15.953 1339 H GLN 76 H GLN 76 -41.662 40.166 16.756 1340 HA GLN 76 HA GLN 76 -40.755 40.816 18.739 1341 HB2 GLN 76 HB2 GLN 76 -43.236 40.528 19.515 1342 HB3 GLN 76 HB3 GLN 76 -42.655 39.052 20.280 1343 HG2 GLN 76 HG2 GLN 76 -42.482 40.760 21.936 1344 HG3 GLN 76 HG3 GLN 76 -40.840 40.471 21.364 1345 HE21 GLN 76 HE21 GLN 76 -40.978 42.888 22.450 1346 HE22 GLN 76 HE22 GLN 76 -41.168 44.127 21.305 1347 H SER 77 H SER 77 -41.376 37.442 18.123 1348 HA SER 77 HA SER 77 -39.363 36.491 19.978 1349 HB2 SER 77 HB2 SER 77 -41.431 35.195 19.261 1350 HB3 SER 77 HB3 SER 77 -40.631 34.952 17.710 1351 HG SER 77 HG SER 77 -38.840 34.370 19.495 1352 H MET 78 H MET 78 -37.245 36.294 19.585 1353 HA MET 78 HA MET 78 -36.181 37.050 16.995 1354 HB2 MET 78 HB2 MET 78 -35.200 37.742 19.231 1355 HB3 MET 78 HB3 MET 78 -34.659 36.074 19.418 1356 HG2 MET 78 HG2 MET 78 -32.823 37.280 18.449 1357 HG3 MET 78 HG3 MET 78 -33.526 36.311 17.153 1358 HE1 MET 78 HE1 MET 78 -33.712 40.813 17.851 1359 HE2 MET 78 HE2 MET 78 -32.273 39.815 18.055 1360 HE3 MET 78 HE3 MET 78 -33.688 39.536 19.069 1361 H ILE 79 H ILE 79 -36.277 35.540 15.447 1362 HA ILE 79 HA ILE 79 -35.829 32.704 16.075 1363 HB ILE 79 HB ILE 79 -37.735 33.440 14.625 1364 HG12 ILE 79 HG12 ILE 79 -35.703 31.754 13.139 1365 HG13 ILE 79 HG13 ILE 79 -36.635 31.156 14.513 1366 HG21 ILE 79 HG21 ILE 79 -36.329 35.265 13.512 1367 HG22 ILE 79 HG22 ILE 79 -37.338 34.300 12.437 1368 HG23 ILE 79 HG23 ILE 79 -35.608 33.980 12.545 1369 HD11 ILE 79 HD11 ILE 79 -38.732 31.797 13.282 1370 HD12 ILE 79 HD12 ILE 79 -37.803 30.528 12.486 1371 HD13 ILE 79 HD13 ILE 79 -37.733 32.183 11.881 1372 H TYR 80 H TYR 80 -34.015 31.633 15.582 1373 HA TYR 80 HA TYR 80 -31.861 33.055 14.108 1374 HB2 TYR 80 HB2 TYR 80 -31.792 30.951 16.277 1375 HB3 TYR 80 HB3 TYR 80 -30.379 31.398 15.322 1376 HD1 TYR 80 HD1 TYR 80 -33.004 32.751 17.596 1377 HD2 TYR 80 HD2 TYR 80 -29.149 33.377 15.808 1378 HE1 TYR 80 HE1 TYR 80 -32.636 34.709 19.074 1379 HE2 TYR 80 HE2 TYR 80 -28.781 35.335 17.286 1380 HH TYR 80 HH TYR 80 -29.737 36.039 19.672 1381 H SER 81 H SER 81 -30.830 32.042 12.437 1382 HA SER 81 HA SER 81 -31.531 29.268 11.744 1383 HB2 SER 81 HB2 SER 81 -33.184 30.522 10.523 1384 HB3 SER 81 HB3 SER 81 -31.972 31.675 9.967 1385 HG SER 81 HG SER 81 -32.340 28.979 9.241 1386 H LEU 82 H LEU 82 -30.229 28.578 9.775 1387 HA LEU 82 HA LEU 82 -27.473 28.980 10.348 1388 HB2 LEU 82 HB2 LEU 82 -28.577 27.785 7.806 1389 HB3 LEU 82 HB3 LEU 82 -27.045 27.428 8.599 1390 HG LEU 82 HG LEU 82 -29.789 26.823 9.746 1391 HD11 LEU 82 HD11 LEU 82 -29.308 25.363 7.870 1392 HD12 LEU 82 HD12 LEU 82 -29.078 24.450 9.361 1393 HD13 LEU 82 HD13 LEU 82 -27.680 25.058 8.474 1394 HD21 LEU 82 HD21 LEU 82 -28.312 25.423 11.329 1395 HD22 LEU 82 HD22 LEU 82 -28.309 27.168 11.574 1396 HD23 LEU 82 HD23 LEU 82 -26.964 26.393 10.735 1397 H ASP 83 H ASP 83 -29.681 30.343 7.989 1398 HA ASP 83 HA ASP 83 -29.478 32.139 6.582 1399 HB2 ASP 83 HB2 ASP 83 -26.749 32.727 7.711 1400 HB3 ASP 83 HB3 ASP 83 -27.963 33.848 7.100 1401 H ASP 84 H ASP 84 -27.509 29.485 6.584 1402 HA ASP 84 HA ASP 84 -26.865 29.826 3.780 1403 HB2 ASP 84 HB2 ASP 84 -24.708 29.700 5.888 1404 HB3 ASP 84 HB3 ASP 84 -24.420 29.266 4.204 1405 H ILE 85 H ILE 85 -26.424 27.880 2.747 1406 HA ILE 85 HA ILE 85 -27.123 25.456 4.278 1407 HB ILE 85 HB ILE 85 -27.390 24.462 1.993 1408 HG12 ILE 85 HG12 ILE 85 -26.972 27.333 1.105 1409 HG13 ILE 85 HG13 ILE 85 -25.817 26.024 0.853 1410 HG21 ILE 85 HG21 ILE 85 -28.964 27.018 2.424 1411 HG22 ILE 85 HG22 ILE 85 -29.271 25.512 3.290 1412 HG23 ILE 85 HG23 ILE 85 -29.494 25.585 1.542 1413 HD11 ILE 85 HD11 ILE 85 -28.628 26.221 -0.265 1414 HD12 ILE 85 HD12 ILE 85 -27.633 24.770 -0.373 1415 HD13 ILE 85 HD13 ILE 85 -27.117 26.254 -1.173 1416 H HIS 86 H HIS 86 -24.470 27.048 2.787 1417 HA HIS 86 HA HIS 86 -22.836 24.998 1.918 1418 HB2 HIS 86 HB2 HIS 86 -21.908 27.416 3.484 1419 HB3 HIS 86 HB3 HIS 86 -20.969 26.482 2.318 1420 HD1 HIS 86 HD1 HIS 86 -23.070 29.413 2.551 1421 HD2 HIS 86 HD2 HIS 86 -22.285 26.583 -0.409 1422 HE1 HIS 86 HE1 HIS 86 -23.825 30.437 0.364 1423 HE2 HIS 86 HE2 HIS 86 -23.358 28.725 -1.452 1424 H VAL 87 H VAL 87 -23.955 25.580 5.081 1425 HA VAL 87 HA VAL 87 -21.780 24.117 6.400 1426 HB VAL 87 HB VAL 87 -23.054 24.605 8.463 1427 HG11 VAL 87 HG11 VAL 87 -22.690 27.018 8.434 1428 HG12 VAL 87 HG12 VAL 87 -22.724 27.030 6.670 1429 HG13 VAL 87 HG13 VAL 87 -21.404 26.228 7.521 1430 HG21 VAL 87 HG21 VAL 87 -24.962 25.967 6.535 1431 HG22 VAL 87 HG22 VAL 87 -25.032 26.099 8.293 1432 HG23 VAL 87 HG23 VAL 87 -25.319 24.543 7.513 1433 H ALA 88 H ALA 88 -25.039 23.656 5.244 1434 HA ALA 88 HA ALA 88 -25.641 21.310 6.743 1435 HB1 ALA 88 HB1 ALA 88 -27.458 21.005 5.117 1436 HB2 ALA 88 HB2 ALA 88 -26.744 22.239 4.079 1437 HB3 ALA 88 HB3 ALA 88 -27.381 22.680 5.663 1438 H THR 89 H THR 89 -24.268 21.866 3.520 1439 HA THR 89 HA THR 89 -24.086 19.056 2.911 1440 HB THR 89 HB THR 89 -22.704 21.390 1.564 1441 HG1 THR 89 HG1 THR 89 -24.829 20.390 0.277 1442 HG21 THR 89 HG21 THR 89 -23.370 18.567 0.676 1443 HG22 THR 89 HG22 THR 89 -21.759 19.232 0.946 1444 HG23 THR 89 HG23 THR 89 -22.745 19.826 -0.390 1445 H MET 90 H MET 90 -21.841 21.583 3.980 1446 HA MET 90 HA MET 90 -19.467 20.085 3.820 1447 HB2 MET 90 HB2 MET 90 -19.680 22.578 4.212 1448 HB3 MET 90 HB3 MET 90 -20.070 22.203 5.891 1449 HG2 MET 90 HG2 MET 90 -17.927 21.021 6.140 1450 HG3 MET 90 HG3 MET 90 -17.540 21.349 4.451 1451 HE1 MET 90 HE1 MET 90 -15.003 23.600 5.883 1452 HE2 MET 90 HE2 MET 90 -15.450 21.949 5.457 1453 HE3 MET 90 HE3 MET 90 -15.579 22.493 7.130 1454 H LEU 91 H LEU 91 -21.864 20.389 6.411 1455 HA LEU 91 HA LEU 91 -20.406 18.904 8.343 1456 HB2 LEU 91 HB2 LEU 91 -22.256 20.425 8.930 1457 HB3 LEU 91 HB3 LEU 91 -23.390 19.372 8.091 1458 HG LEU 91 HG LEU 91 -22.836 17.538 9.668 1459 HD11 LEU 91 HD11 LEU 91 -20.933 19.617 10.737 1460 HD12 LEU 91 HD12 LEU 91 -20.648 17.905 10.427 1461 HD13 LEU 91 HD13 LEU 91 -21.600 18.396 11.820 1462 HD21 LEU 91 HD21 LEU 91 -24.016 18.485 11.576 1463 HD22 LEU 91 HD22 LEU 91 -24.699 19.145 10.089 1464 HD23 LEU 91 HD23 LEU 91 -23.597 20.119 11.062 1465 H LYS 92 H LYS 92 -22.782 18.051 5.884 1466 HA LYS 92 HA LYS 92 -22.986 15.301 6.711 1467 HB2 LYS 92 HB2 LYS 92 -24.788 16.622 5.520 1468 HB3 LYS 92 HB3 LYS 92 -23.806 16.507 4.061 1469 HG2 LYS 92 HG2 LYS 92 -23.950 14.108 4.058 1470 HG3 LYS 92 HG3 LYS 92 -24.688 14.089 5.660 1471 HD2 LYS 92 HD2 LYS 92 -26.666 15.247 4.787 1472 HD3 LYS 92 HD3 LYS 92 -25.926 15.338 3.187 1473 HE2 LYS 92 HE2 LYS 92 -25.771 12.798 3.245 1474 HE3 LYS 92 HE3 LYS 92 -26.791 12.853 4.683 1475 HZ1 LYS 92 HZ1 LYS 92 -27.459 13.449 1.906 1476 HZ2 LYS 92 HZ2 LYS 92 -28.219 14.384 3.104 1477 HZ3 LYS 92 HZ3 LYS 92 -28.389 12.694 3.107 1478 H GLN 93 H GLN 93 -20.640 17.046 5.076 1479 HA GLN 93 HA GLN 93 -19.790 14.883 3.294 1480 HB2 GLN 93 HB2 GLN 93 -19.645 17.299 2.619 1481 HB3 GLN 93 HB3 GLN 93 -18.427 17.520 3.876 1482 HG2 GLN 93 HG2 GLN 93 -17.022 15.788 2.827 1483 HG3 GLN 93 HG3 GLN 93 -18.240 15.553 1.574 1484 HE21 GLN 93 HE21 GLN 93 -15.577 16.381 0.917 1485 HE22 GLN 93 HE22 GLN 93 -15.644 17.970 0.326 1486 H ALA 94 H ALA 94 -19.086 16.232 6.423 1487 HA ALA 94 HA ALA 94 -16.479 15.072 6.706 1488 HB1 ALA 94 HB1 ALA 94 -18.364 15.930 8.912 1489 HB2 ALA 94 HB2 ALA 94 -17.345 17.052 8.011 1490 HB3 ALA 94 HB3 ALA 94 -16.608 15.788 8.995 1491 H ILE 95 H ILE 95 -19.700 14.243 7.999 1492 HA ILE 95 HA ILE 95 -18.948 11.885 9.328 1493 HB ILE 95 HB ILE 95 -21.609 12.341 7.971 1494 HG12 ILE 95 HG12 ILE 95 -21.140 14.371 9.181 1495 HG13 ILE 95 HG13 ILE 95 -22.258 13.422 10.157 1496 HG21 ILE 95 HG21 ILE 95 -20.840 10.911 10.532 1497 HG22 ILE 95 HG22 ILE 95 -21.170 10.116 8.992 1498 HG23 ILE 95 HG23 ILE 95 -22.454 10.993 9.826 1499 HD11 ILE 95 HD11 ILE 95 -19.301 13.845 10.571 1500 HD12 ILE 95 HD12 ILE 95 -20.140 12.486 11.318 1501 HD13 ILE 95 HD13 ILE 95 -20.622 14.138 11.701 1502 H HIS 96 H HIS 96 -19.534 12.555 5.951 1503 HA HIS 96 HA HIS 96 -19.934 9.882 5.084 1504 HB2 HIS 96 HB2 HIS 96 -18.995 12.394 3.692 1505 HB3 HIS 96 HB3 HIS 96 -19.134 10.857 2.840 1506 HD1 HIS 96 HD1 HIS 96 -21.717 10.487 5.108 1507 HD2 HIS 96 HD2 HIS 96 -21.282 12.979 1.795 1508 HE1 HIS 96 HE1 HIS 96 -24.055 11.112 4.374 1509 HE2 HIS 96 HE2 HIS 96 -23.811 12.633 2.355 1510 H HIS 97 H HIS 97 -17.013 11.940 4.894 1511 HA HIS 97 HA HIS 97 -15.270 10.013 3.915 1512 HB2 HIS 97 HB2 HIS 97 -14.768 12.455 4.166 1513 HB3 HIS 97 HB3 HIS 97 -14.544 12.183 5.894 1514 HD1 HIS 97 HD1 HIS 97 -12.790 11.995 2.691 1515 HD2 HIS 97 HD2 HIS 97 -12.368 10.230 6.445 1516 HE1 HIS 97 HE1 HIS 97 -10.459 11.012 2.761 1517 HE2 HIS 97 HE2 HIS 97 -10.186 9.924 5.038 1518 H ALA 98 H ALA 98 -15.206 11.083 7.307 1519 HA ALA 98 HA ALA 98 -13.663 9.271 8.480 1520 HB1 ALA 98 HB1 ALA 98 -15.083 9.416 10.515 1521 HB2 ALA 98 HB2 ALA 98 -16.352 10.163 9.545 1522 HB3 ALA 98 HB3 ALA 98 -14.807 10.987 9.763 1523 H ASN 99 H ASN 99 -16.771 8.504 7.098 1524 HA ASN 99 HA ASN 99 -16.210 5.683 7.319 1525 HB2 ASN 99 HB2 ASN 99 -18.205 5.091 8.601 1526 HB3 ASN 99 HB3 ASN 99 -17.156 6.140 9.553 1527 HD21 ASN 99 HD21 ASN 99 -20.276 5.925 7.946 1528 HD22 ASN 99 HD22 ASN 99 -20.867 7.420 8.492 1529 H HIS 100 H HIS 100 -16.667 5.069 5.314 1530 HA HIS 100 HA HIS 100 -18.600 6.384 3.662 1531 HB2 HIS 100 HB2 HIS 100 -16.927 3.882 3.399 1532 HB3 HIS 100 HB3 HIS 100 -18.124 4.298 2.176 1533 HD1 HIS 100 HD1 HIS 100 -16.182 6.979 3.945 1534 HD2 HIS 100 HD2 HIS 100 -16.137 5.022 0.264 1535 HE1 HIS 100 HE1 HIS 100 -14.607 8.289 2.459 1536 HE2 HIS 100 HE2 HIS 100 -14.567 7.110 0.211 1537 HA PRO 101 HA PRO 101 -22.149 4.069 4.937 1538 HB2 PRO 101 HB2 PRO 101 -23.697 4.062 2.679 1539 HB3 PRO 101 HB3 PRO 101 -23.402 5.532 3.625 1540 HG2 PRO 101 HG2 PRO 101 -22.031 4.593 1.133 1541 HG3 PRO 101 HG3 PRO 101 -22.660 6.203 1.520 1542 HD2 PRO 101 HD2 PRO 101 -20.020 5.594 1.778 1543 HD3 PRO 101 HD3 PRO 101 -20.828 6.732 2.876 1544 H LYS 102 H LYS 102 -20.012 2.909 2.579 1545 HA LYS 102 HA LYS 102 -21.276 0.515 1.760 1546 HB2 LYS 102 HB2 LYS 102 -19.175 1.562 0.776 1547 HB3 LYS 102 HB3 LYS 102 -18.302 0.883 2.150 1548 HG2 LYS 102 HG2 LYS 102 -19.225 -1.376 1.528 1549 HG3 LYS 102 HG3 LYS 102 -19.886 -0.643 0.065 1550 HD2 LYS 102 HD2 LYS 102 -17.687 -0.054 -0.724 1551 HD3 LYS 102 HD3 LYS 102 -16.955 -0.504 0.816 1552 HE2 LYS 102 HE2 LYS 102 -16.590 -2.295 -0.804 1553 HE3 LYS 102 HE3 LYS 102 -17.707 -2.856 0.439 1554 HZ1 LYS 102 HZ1 LYS 102 -19.040 -1.562 -1.736 1555 HZ2 LYS 102 HZ2 LYS 102 -19.328 -3.085 -1.043 1556 HZ3 LYS 102 HZ3 LYS 102 -18.143 -2.911 -2.247 1557 H GLU 103 H GLU 103 -21.240 -1.552 2.591 1558 HA GLU 103 HA GLU 103 -21.071 -1.789 5.434 1559 HB2 GLU 103 HB2 GLU 103 -21.228 -4.030 3.409 1560 HB3 GLU 103 HB3 GLU 103 -21.724 -4.079 5.100 1561 HG2 GLU 103 HG2 GLU 103 -23.349 -2.186 4.525 1562 HG3 GLU 103 HG3 GLU 103 -23.002 -2.540 2.833 Start of MODEL 14 1 H ASN 9 H ASN 9 -24.473 5.310 18.990 2 HA ASN 9 HA ASN 9 -22.221 5.588 18.698 3 HB2 ASN 9 HB2 ASN 9 -23.347 7.628 16.770 4 HB3 ASN 9 HB3 ASN 9 -21.982 6.541 16.516 5 HD21 ASN 9 HD21 ASN 9 -22.581 4.112 16.579 6 HD22 ASN 9 HD22 ASN 9 -24.093 3.670 15.948 7 H THR 10 H THR 10 -21.612 6.623 20.713 8 HA THR 10 HA THR 10 -21.419 9.524 20.802 9 HB THR 10 HB THR 10 -21.888 8.467 22.887 10 HG1 THR 10 HG1 THR 10 -19.650 8.794 23.917 11 HG21 THR 10 HG21 THR 10 -19.534 6.692 22.199 12 HG22 THR 10 HG22 THR 10 -21.213 6.206 22.436 13 HG23 THR 10 HG23 THR 10 -20.252 6.756 23.809 14 H ASP 11 H ASP 11 -19.470 6.850 19.830 15 HA ASP 11 HA ASP 11 -16.911 8.078 20.172 16 HB2 ASP 11 HB2 ASP 11 -17.595 5.923 18.173 17 HB3 ASP 11 HB3 ASP 11 -16.045 6.227 18.955 18 H THR 12 H THR 12 -19.443 8.419 17.884 19 HA THR 12 HA THR 12 -17.896 9.209 15.625 20 HB THR 12 HB THR 12 -20.743 10.001 16.277 21 HG1 THR 12 HG1 THR 12 -20.098 7.838 14.647 22 HG21 THR 12 HG21 THR 12 -19.234 9.665 13.667 23 HG22 THR 12 HG22 THR 12 -19.707 11.201 14.391 24 HG23 THR 12 HG23 THR 12 -20.941 10.081 13.812 25 H LEU 13 H LEU 13 -20.073 11.269 17.558 26 HA LEU 13 HA LEU 13 -19.214 13.727 16.748 27 HB2 LEU 13 HB2 LEU 13 -20.173 12.762 19.439 28 HB3 LEU 13 HB3 LEU 13 -19.768 14.458 19.182 29 HG LEU 13 HG LEU 13 -21.373 14.552 17.303 30 HD11 LEU 13 HD11 LEU 13 -23.010 12.565 17.196 31 HD12 LEU 13 HD12 LEU 13 -21.770 11.654 18.060 32 HD13 LEU 13 HD13 LEU 13 -21.423 12.332 16.468 33 HD21 LEU 13 HD21 LEU 13 -22.093 15.121 19.604 34 HD22 LEU 13 HD22 LEU 13 -22.561 13.442 19.865 35 HD23 LEU 13 HD23 LEU 13 -23.413 14.419 18.670 36 H GLU 14 H GLU 14 -17.707 11.697 19.238 37 HA GLU 14 HA GLU 14 -15.745 13.442 20.164 38 HB2 GLU 14 HB2 GLU 14 -15.688 10.452 19.722 39 HB3 GLU 14 HB3 GLU 14 -14.377 11.329 20.511 40 HG2 GLU 14 HG2 GLU 14 -17.248 11.565 21.430 41 HG3 GLU 14 HG3 GLU 14 -16.164 10.320 22.051 42 H ARG 15 H ARG 15 -15.329 10.988 17.608 43 HA ARG 15 HA ARG 15 -12.842 11.830 16.687 44 HB2 ARG 15 HB2 ARG 15 -15.128 10.503 15.219 45 HB3 ARG 15 HB3 ARG 15 -13.522 10.721 14.526 46 HG2 ARG 15 HG2 ARG 15 -12.511 9.360 16.226 47 HG3 ARG 15 HG3 ARG 15 -13.997 9.338 17.176 48 HD2 ARG 15 HD2 ARG 15 -13.707 7.223 15.935 49 HD3 ARG 15 HD3 ARG 15 -15.136 8.094 15.384 50 HE ARG 15 HE ARG 15 -13.167 8.944 13.689 51 HH11 ARG 15 HH21 ARG 15 -14.382 5.875 14.728 52 HH12 ARG 15 HH22 ARG 15 -14.005 5.067 13.244 53 HH21 ARG 15 HH11 ARG 15 -12.671 7.891 11.738 54 HH22 ARG 15 HH12 ARG 15 -13.040 6.210 11.549 55 H VAL 16 H VAL 16 -16.057 12.694 15.393 56 HA VAL 16 HA VAL 16 -15.404 14.304 13.303 57 HB VAL 16 HB VAL 16 -17.539 14.852 15.377 58 HG11 VAL 16 HG11 VAL 16 -18.628 16.002 13.375 59 HG12 VAL 16 HG12 VAL 16 -17.053 15.920 12.587 60 HG13 VAL 16 HG13 VAL 16 -17.246 16.844 14.077 61 HG21 VAL 16 HG21 VAL 16 -18.976 13.539 13.997 62 HG22 VAL 16 HG22 VAL 16 -17.496 12.595 14.155 63 HG23 VAL 16 HG23 VAL 16 -17.806 13.509 12.678 64 H THR 17 H THR 17 -14.784 14.928 16.646 65 HA THR 17 HA THR 17 -14.326 17.773 16.315 66 HB THR 17 HB THR 17 -13.489 16.028 18.635 67 HG1 THR 17 HG1 THR 17 -15.980 17.032 17.846 68 HG21 THR 17 HG21 THR 17 -14.278 18.951 18.462 69 HG22 THR 17 HG22 THR 17 -12.614 18.368 18.499 70 HG23 THR 17 HG23 THR 17 -13.670 18.112 19.888 71 H GLU 18 H GLU 18 -12.386 14.827 16.639 72 HA GLU 18 HA GLU 18 -9.855 16.045 16.783 73 HB2 GLU 18 HB2 GLU 18 -10.260 13.664 17.295 74 HB3 GLU 18 HB3 GLU 18 -10.585 13.359 15.589 75 HG2 GLU 18 HG2 GLU 18 -8.343 13.897 14.967 76 HG3 GLU 18 HG3 GLU 18 -7.996 14.590 16.549 77 H ILE 19 H ILE 19 -12.047 15.706 14.159 78 HA ILE 19 HA ILE 19 -10.158 15.758 12.018 79 HB ILE 19 HB ILE 19 -12.998 16.775 11.918 80 HG12 ILE 19 HG12 ILE 19 -13.106 14.619 12.993 81 HG13 ILE 19 HG13 ILE 19 -13.571 14.396 11.308 82 HG21 ILE 19 HG21 ILE 19 -11.476 17.108 9.945 83 HG22 ILE 19 HG22 ILE 19 -12.880 16.099 9.598 84 HG23 ILE 19 HG23 ILE 19 -11.300 15.356 9.850 85 HD11 ILE 19 HD11 ILE 19 -12.063 12.626 11.725 86 HD12 ILE 19 HD12 ILE 19 -10.976 13.654 12.658 87 HD13 ILE 19 HD13 ILE 19 -11.073 13.832 10.906 88 H PHE 20 H PHE 20 -11.838 18.245 13.875 89 HA PHE 20 HA PHE 20 -11.038 20.423 12.202 90 HB2 PHE 20 HB2 PHE 20 -12.077 20.260 15.035 91 HB3 PHE 20 HB3 PHE 20 -11.664 21.791 14.265 92 HD1 PHE 20 HD1 PHE 20 -12.925 22.605 12.309 93 HD2 PHE 20 HD2 PHE 20 -14.009 18.971 14.325 94 HE1 PHE 20 HE1 PHE 20 -15.115 22.612 11.145 95 HE2 PHE 20 HE2 PHE 20 -16.201 18.982 13.167 96 HZ PHE 20 HZ PHE 20 -16.754 20.801 11.574 97 H LYS 21 H LYS 21 -10.035 19.653 15.543 98 HA LYS 21 HA LYS 21 -7.877 21.331 15.771 99 HB2 LYS 21 HB2 LYS 21 -8.789 19.805 17.550 100 HB3 LYS 21 HB3 LYS 21 -7.919 18.478 16.781 101 HG2 LYS 21 HG2 LYS 21 -5.791 19.605 17.135 102 HG3 LYS 21 HG3 LYS 21 -6.613 21.034 17.764 103 HD2 LYS 21 HD2 LYS 21 -7.364 19.863 19.708 104 HD3 LYS 21 HD3 LYS 21 -6.926 18.299 19.020 105 HE2 LYS 21 HE2 LYS 21 -4.533 18.990 19.045 106 HE3 LYS 21 HE3 LYS 21 -5.002 20.505 19.815 107 HZ1 LYS 21 HZ1 LYS 21 -5.091 19.504 21.772 108 HZ2 LYS 21 HZ2 LYS 21 -4.458 18.102 21.056 109 HZ3 LYS 21 HZ3 LYS 21 -6.138 18.304 21.184 110 H ALA 22 H ALA 22 -8.174 18.515 13.791 111 HA ALA 22 HA ALA 22 -5.359 18.065 13.424 112 HB1 ALA 22 HB1 ALA 22 -7.780 17.118 11.874 113 HB2 ALA 22 HB2 ALA 22 -6.893 16.222 13.106 114 HB3 ALA 22 HB3 ALA 22 -6.130 16.584 11.557 115 H LEU 23 H LEU 23 -7.863 19.884 11.737 116 HA LEU 23 HA LEU 23 -6.234 20.440 9.435 117 HB2 LEU 23 HB2 LEU 23 -8.796 21.679 10.457 118 HB3 LEU 23 HB3 LEU 23 -8.049 22.108 8.924 119 HG LEU 23 HG LEU 23 -8.692 19.226 9.574 120 HD11 LEU 23 HD11 LEU 23 -10.811 20.292 9.872 121 HD12 LEU 23 HD12 LEU 23 -10.826 19.621 8.243 122 HD13 LEU 23 HD13 LEU 23 -10.552 21.346 8.484 123 HD21 LEU 23 HD21 LEU 23 -8.951 19.175 7.049 124 HD22 LEU 23 HD22 LEU 23 -7.317 19.491 7.616 125 HD23 LEU 23 HD23 LEU 23 -8.315 20.816 7.016 126 H GLY 24 H GLY 24 -5.825 21.394 12.507 127 HA2 GLY 24 HA2 GLY 24 -5.587 24.169 12.501 128 HA3 GLY 24 HA3 GLY 24 -4.610 23.083 13.486 129 H ASP 25 H ASP 25 -3.101 24.997 12.968 130 HA ASP 25 HA ASP 25 -1.226 25.795 11.914 131 HB2 ASP 25 HB2 ASP 25 -1.187 22.935 10.926 132 HB3 ASP 25 HB3 ASP 25 0.139 24.076 10.703 133 H TYR 26 H TYR 26 -1.646 27.326 10.449 134 HA TYR 26 HA TYR 26 -3.260 27.054 8.173 135 HB2 TYR 26 HB2 TYR 26 -2.158 29.177 7.426 136 HB3 TYR 26 HB3 TYR 26 -2.770 29.242 9.078 137 HD1 TYR 26 HD1 TYR 26 -1.234 29.163 10.999 138 HD2 TYR 26 HD2 TYR 26 0.228 29.143 6.960 139 HE1 TYR 26 HE1 TYR 26 1.045 29.695 11.821 140 HE2 TYR 26 HE2 TYR 26 2.508 29.673 7.783 141 HH TYR 26 HH TYR 26 3.823 29.692 9.664 142 H ASN 27 H ASN 27 0.213 26.630 8.624 143 HA ASN 27 HA ASN 27 1.002 26.498 5.941 144 HB2 ASN 27 HB2 ASN 27 2.483 26.542 8.013 145 HB3 ASN 27 HB3 ASN 27 2.176 24.812 8.154 146 HD21 ASN 27 HD21 ASN 27 4.376 26.979 6.890 147 HD22 ASN 27 HD22 ASN 27 5.019 26.018 5.649 148 H ARG 28 H ARG 28 -0.485 24.097 8.029 149 HA ARG 28 HA ARG 28 -0.029 21.836 6.372 150 HB2 ARG 28 HB2 ARG 28 -0.637 21.687 8.769 151 HB3 ARG 28 HB3 ARG 28 -2.244 22.300 8.381 152 HG2 ARG 28 HG2 ARG 28 -2.699 20.380 6.970 153 HG3 ARG 28 HG3 ARG 28 -1.042 19.803 7.152 154 HD2 ARG 28 HD2 ARG 28 -1.373 19.379 9.503 155 HD3 ARG 28 HD3 ARG 28 -2.942 20.180 9.480 156 HE ARG 28 HE ARG 28 -3.253 18.176 7.667 157 HH11 ARG 28 HH21 ARG 28 -2.066 18.352 10.911 158 HH12 ARG 28 HH22 ARG 28 -2.590 16.757 11.338 159 HH21 ARG 28 HH11 ARG 28 -3.945 16.082 8.218 160 HH22 ARG 28 HH12 ARG 28 -3.652 15.470 9.813 161 H ILE 29 H ILE 29 -2.455 24.351 6.413 162 HA ILE 29 HA ILE 29 -4.335 22.971 4.747 163 HB ILE 29 HB ILE 29 -4.118 25.950 5.214 164 HG12 ILE 29 HG12 ILE 29 -5.571 23.837 6.837 165 HG13 ILE 29 HG13 ILE 29 -4.120 24.694 7.355 166 HG21 ILE 29 HG21 ILE 29 -5.656 25.146 3.406 167 HG22 ILE 29 HG22 ILE 29 -6.510 25.921 4.740 168 HG23 ILE 29 HG23 ILE 29 -6.492 24.163 4.608 169 HD11 ILE 29 HD11 ILE 29 -5.428 26.856 6.999 170 HD12 ILE 29 HD12 ILE 29 -5.958 25.855 8.350 171 HD13 ILE 29 HD13 ILE 29 -6.867 25.849 6.839 172 H ARG 30 H ARG 30 -1.532 24.978 4.170 173 HA ARG 30 HA ARG 30 -2.162 25.676 1.476 174 HB2 ARG 30 HB2 ARG 30 0.478 25.539 2.951 175 HB3 ARG 30 HB3 ARG 30 0.278 26.205 1.330 176 HG2 ARG 30 HG2 ARG 30 -1.363 27.837 2.219 177 HG3 ARG 30 HG3 ARG 30 -1.113 27.189 3.841 178 HD2 ARG 30 HD2 ARG 30 0.234 29.266 3.315 179 HD3 ARG 30 HD3 ARG 30 1.187 27.886 3.851 180 HE ARG 30 HE ARG 30 0.957 27.968 0.996 181 HH11 ARG 30 HH21 ARG 30 2.559 29.323 3.747 182 HH12 ARG 30 HH22 ARG 30 3.994 29.748 2.877 183 HH21 ARG 30 HH11 ARG 30 2.838 28.522 -0.154 184 HH22 ARG 30 HH12 ARG 30 4.150 29.298 0.668 185 H ILE 31 H ILE 31 -0.657 22.919 3.020 186 HA ILE 31 HA ILE 31 0.568 21.779 0.743 187 HB ILE 31 HB ILE 31 -0.632 20.173 3.000 188 HG12 ILE 31 HG12 ILE 31 0.471 22.006 4.095 189 HG13 ILE 31 HG13 ILE 31 1.538 20.609 4.201 190 HG21 ILE 31 HG21 ILE 31 1.360 18.778 2.619 191 HG22 ILE 31 HG22 ILE 31 1.905 19.889 1.362 192 HG23 ILE 31 HG23 ILE 31 0.427 18.954 1.132 193 HD11 ILE 31 HD11 ILE 31 2.634 21.524 2.045 194 HD12 ILE 31 HD12 ILE 31 2.960 22.385 3.549 195 HD13 ILE 31 HD13 ILE 31 1.778 23.023 2.406 196 H MET 32 H MET 32 -2.534 20.937 2.302 197 HA MET 32 HA MET 32 -3.483 19.097 0.500 198 HB2 MET 32 HB2 MET 32 -5.087 21.260 1.888 199 HB3 MET 32 HB3 MET 32 -5.755 19.796 1.169 200 HG2 MET 32 HG2 MET 32 -4.076 18.541 2.724 201 HG3 MET 32 HG3 MET 32 -3.998 20.069 3.603 202 HE1 MET 32 HE1 MET 32 -5.839 20.575 5.599 203 HE2 MET 32 HE2 MET 32 -7.414 20.802 4.841 204 HE3 MET 32 HE3 MET 32 -5.964 21.430 4.060 205 H GLU 33 H GLU 33 -3.490 22.616 0.206 206 HA GLU 33 HA GLU 33 -5.113 22.843 -2.081 207 HB2 GLU 33 HB2 GLU 33 -4.254 24.725 -0.596 208 HB3 GLU 33 HB3 GLU 33 -2.729 24.597 -1.474 209 HG2 GLU 33 HG2 GLU 33 -3.977 26.284 -2.610 210 HG3 GLU 33 HG3 GLU 33 -4.107 24.842 -3.615 211 H LEU 34 H LEU 34 -1.739 21.992 -1.671 212 HA LEU 34 HA LEU 34 -1.091 22.182 -4.465 213 HB2 LEU 34 HB2 LEU 34 0.453 22.265 -2.320 214 HB3 LEU 34 HB3 LEU 34 0.487 20.522 -2.511 215 HG LEU 34 HG LEU 34 2.384 21.421 -3.669 216 HD11 LEU 34 HD11 LEU 34 0.954 19.593 -4.750 217 HD12 LEU 34 HD12 LEU 34 2.094 20.436 -5.796 218 HD13 LEU 34 HD13 LEU 34 0.382 20.850 -5.848 219 HD21 LEU 34 HD21 LEU 34 1.112 23.736 -4.001 220 HD22 LEU 34 HD22 LEU 34 0.743 23.052 -5.582 221 HD23 LEU 34 HD23 LEU 34 2.414 23.243 -5.073 222 H LEU 35 H LEU 35 -1.603 19.465 -2.209 223 HA LEU 35 HA LEU 35 -1.452 17.401 -4.116 224 HB2 LEU 35 HB2 LEU 35 -3.250 17.340 -1.694 225 HB3 LEU 35 HB3 LEU 35 -2.411 15.996 -2.465 226 HG LEU 35 HG LEU 35 -1.158 18.277 -0.913 227 HD11 LEU 35 HD11 LEU 35 -2.079 16.550 0.516 228 HD12 LEU 35 HD12 LEU 35 -0.326 16.354 0.483 229 HD13 LEU 35 HD13 LEU 35 -1.352 15.285 -0.473 230 HD21 LEU 35 HD21 LEU 35 0.357 17.860 -2.695 231 HD22 LEU 35 HD22 LEU 35 0.054 16.124 -2.656 232 HD23 LEU 35 HD23 LEU 35 0.971 16.889 -1.358 233 H SER 36 H SER 36 -3.798 19.826 -3.649 234 HA SER 36 HA SER 36 -6.075 18.378 -4.640 235 HB2 SER 36 HB2 SER 36 -6.177 20.446 -3.187 236 HB3 SER 36 HB3 SER 36 -5.675 21.375 -4.598 237 HG SER 36 HG SER 36 -8.078 20.094 -4.055 238 H VAL 37 H VAL 37 -4.105 21.013 -6.041 239 HA VAL 37 HA VAL 37 -5.198 20.888 -8.617 240 HB VAL 37 HB VAL 37 -2.977 21.948 -9.302 241 HG11 VAL 37 HG11 VAL 37 -4.998 23.230 -8.605 242 HG12 VAL 37 HG12 VAL 37 -3.499 24.037 -8.143 243 HG13 VAL 37 HG13 VAL 37 -4.436 23.158 -6.935 244 HG21 VAL 37 HG21 VAL 37 -1.669 20.830 -7.467 245 HG22 VAL 37 HG22 VAL 37 -2.512 21.858 -6.307 246 HG23 VAL 37 HG23 VAL 37 -1.455 22.579 -7.520 247 H SER 38 H SER 38 -2.586 19.047 -7.127 248 HA SER 38 HA SER 38 -2.832 16.856 -8.860 249 HB2 SER 38 HB2 SER 38 -1.950 18.044 -10.680 250 HB3 SER 38 HB3 SER 38 -0.815 18.934 -9.669 251 HG SER 38 HG SER 38 -0.009 17.088 -10.991 252 H GLU 39 H GLU 39 -1.514 15.152 -8.258 253 HA GLU 39 HA GLU 39 -0.594 15.012 -5.659 254 HB2 GLU 39 HB2 GLU 39 0.746 13.026 -6.431 255 HB3 GLU 39 HB3 GLU 39 -0.952 12.987 -6.897 256 HG2 GLU 39 HG2 GLU 39 1.150 14.131 -8.741 257 HG3 GLU 39 HG3 GLU 39 0.813 12.403 -8.702 258 H ALA 40 H ALA 40 1.803 14.378 -5.130 259 HA ALA 40 HA ALA 40 3.811 15.926 -6.543 260 HB1 ALA 40 HB1 ALA 40 4.339 17.446 -4.787 261 HB2 ALA 40 HB2 ALA 40 3.246 16.637 -3.662 262 HB3 ALA 40 HB3 ALA 40 2.594 17.561 -5.016 263 H SER 41 H SER 41 5.888 15.285 -6.059 264 HA SER 41 HA SER 41 6.137 12.774 -4.589 265 HB2 SER 41 HB2 SER 41 8.319 14.285 -6.028 266 HB3 SER 41 HB3 SER 41 8.267 12.570 -5.626 267 HG SER 41 HG SER 41 6.148 13.517 -7.121 268 H VAL 42 H VAL 42 8.685 12.845 -3.697 269 HA VAL 42 HA VAL 42 8.424 14.401 -1.266 270 HB VAL 42 HB VAL 42 10.560 12.484 -2.230 271 HG11 VAL 42 HG11 VAL 42 11.202 12.518 0.233 272 HG12 VAL 42 HG12 VAL 42 10.206 13.965 0.388 273 HG13 VAL 42 HG13 VAL 42 11.617 13.973 -0.672 274 HG21 VAL 42 HG21 VAL 42 8.334 12.234 -0.182 275 HG22 VAL 42 HG22 VAL 42 9.534 10.993 -0.542 276 HG23 VAL 42 HG23 VAL 42 8.361 11.467 -1.770 277 H GLY 43 H GLY 43 11.134 14.052 -3.583 278 HA2 GLY 43 HA2 GLY 43 12.480 16.341 -2.648 279 HA3 GLY 43 HA3 GLY 43 12.795 15.528 -4.177 280 H HIS 44 H HIS 44 9.971 15.962 -5.071 281 HA HIS 44 HA HIS 44 10.473 18.429 -6.405 282 HB2 HIS 44 HB2 HIS 44 9.307 16.541 -7.475 283 HB3 HIS 44 HB3 HIS 44 7.962 16.742 -6.350 284 HD1 HIS 44 HD1 HIS 44 6.864 19.271 -6.404 285 HD2 HIS 44 HD2 HIS 44 9.052 18.095 -9.753 286 HE1 HIS 44 HE1 HIS 44 6.215 20.850 -8.271 287 HE2 HIS 44 HE2 HIS 44 7.533 20.144 -10.323 288 H ILE 45 H ILE 45 8.251 17.490 -3.794 289 HA ILE 45 HA ILE 45 6.885 20.024 -3.849 290 HB ILE 45 HB ILE 45 5.899 17.818 -3.047 291 HG12 ILE 45 HG12 ILE 45 5.713 20.234 -1.225 292 HG13 ILE 45 HG13 ILE 45 4.798 19.998 -2.715 293 HG21 ILE 45 HG21 ILE 45 7.288 18.555 -0.461 294 HG22 ILE 45 HG22 ILE 45 7.863 17.291 -1.547 295 HG23 ILE 45 HG23 ILE 45 6.286 17.140 -0.778 296 HD11 ILE 45 HD11 ILE 45 3.338 19.312 -0.960 297 HD12 ILE 45 HD12 ILE 45 4.618 18.411 -0.147 298 HD13 ILE 45 HD13 ILE 45 3.951 17.817 -1.669 299 H SER 46 H SER 46 9.859 18.974 -2.573 300 HA SER 46 HA SER 46 10.034 20.587 -0.257 301 HB2 SER 46 HB2 SER 46 12.455 20.277 -0.482 302 HB3 SER 46 HB3 SER 46 11.612 18.757 -0.775 303 HG SER 46 HG SER 46 13.315 19.885 -2.351 304 H HIS 47 H HIS 47 11.559 21.147 -3.440 305 HA HIS 47 HA HIS 47 12.291 23.803 -3.009 306 HB2 HIS 47 HB2 HIS 47 13.120 22.488 -4.904 307 HB3 HIS 47 HB3 HIS 47 11.504 22.458 -5.606 308 HD1 HIS 47 HD1 HIS 47 10.710 24.538 -6.852 309 HD2 HIS 47 HD2 HIS 47 14.363 25.113 -4.925 310 HE1 HIS 47 HE1 HIS 47 11.614 26.755 -7.677 311 HE2 HIS 47 HE2 HIS 47 13.841 27.120 -6.513 312 H GLN 48 H GLN 48 9.203 22.415 -3.655 313 HA GLN 48 HA GLN 48 7.900 24.716 -4.717 314 HB2 GLN 48 HB2 GLN 48 7.098 22.269 -4.740 315 HB3 GLN 48 HB3 GLN 48 6.551 22.559 -3.090 316 HG2 GLN 48 HG2 GLN 48 4.678 23.007 -4.509 317 HG3 GLN 48 HG3 GLN 48 5.287 24.575 -3.987 318 HE21 GLN 48 HE21 GLN 48 5.348 22.285 -6.743 319 HE22 GLN 48 HE22 GLN 48 5.704 23.463 -7.913 320 H LEU 49 H LEU 49 9.029 23.893 -1.608 321 HA LEU 49 HA LEU 49 8.209 26.393 -0.505 322 HB2 LEU 49 HB2 LEU 49 6.100 24.939 -0.379 323 HB3 LEU 49 HB3 LEU 49 6.979 23.963 0.790 324 HG LEU 49 HG LEU 49 7.413 26.266 1.998 325 HD11 LEU 49 HD11 LEU 49 5.000 26.888 0.268 326 HD12 LEU 49 HD12 LEU 49 6.526 27.769 0.317 327 HD13 LEU 49 HD13 LEU 49 5.444 27.802 1.704 328 HD21 LEU 49 HD21 LEU 49 6.094 24.532 3.034 329 HD22 LEU 49 HD22 LEU 49 4.736 24.851 1.956 330 HD23 LEU 49 HD23 LEU 49 5.194 26.042 3.173 331 H ASN 50 H ASN 50 10.690 25.373 -0.804 332 HA ASN 50 HA ASN 50 12.631 24.816 0.287 333 HB2 ASN 50 HB2 ASN 50 11.787 26.902 1.521 334 HB3 ASN 50 HB3 ASN 50 11.260 25.799 2.788 335 HD21 ASN 50 HD21 ASN 50 13.124 27.458 3.737 336 HD22 ASN 50 HD22 ASN 50 14.666 26.752 3.788 337 H LEU 51 H LEU 51 12.442 24.222 3.318 338 HA LEU 51 HA LEU 51 12.566 22.300 4.569 339 HB2 LEU 51 HB2 LEU 51 9.961 22.022 3.082 340 HB3 LEU 51 HB3 LEU 51 10.511 20.718 4.131 341 HG LEU 51 HG LEU 51 10.588 22.202 6.041 342 HD11 LEU 51 HD11 LEU 51 11.341 24.261 5.031 343 HD12 LEU 51 HD12 LEU 51 9.770 24.579 5.764 344 HD13 LEU 51 HD13 LEU 51 9.897 24.349 4.022 345 HD21 LEU 51 HD21 LEU 51 8.223 22.702 6.263 346 HD22 LEU 51 HD22 LEU 51 8.389 21.204 5.346 347 HD23 LEU 51 HD23 LEU 51 8.021 22.713 4.511 348 H SER 52 H SER 52 12.372 19.742 4.301 349 HA SER 52 HA SER 52 13.323 18.826 1.689 350 HB2 SER 52 HB2 SER 52 15.377 17.857 2.663 351 HB3 SER 52 HB3 SER 52 15.373 19.617 2.762 352 HG SER 52 HG SER 52 14.256 18.213 4.886 353 H GLN 53 H GLN 53 13.944 16.412 1.918 354 HA GLN 53 HA GLN 53 11.769 14.870 2.370 355 HB2 GLN 53 HB2 GLN 53 13.847 14.046 1.343 356 HB3 GLN 53 HB3 GLN 53 14.633 14.053 2.920 357 HG2 GLN 53 HG2 GLN 53 13.218 12.327 3.747 358 HG3 GLN 53 HG3 GLN 53 12.090 12.505 2.405 359 HE21 GLN 53 HE21 GLN 53 14.355 10.400 3.496 360 HE22 GLN 53 HE22 GLN 53 14.958 9.813 2.022 361 H SER 54 H SER 54 14.219 15.689 4.808 362 HA SER 54 HA SER 54 13.339 14.069 6.885 363 HB2 SER 54 HB2 SER 54 14.499 16.860 7.084 364 HB3 SER 54 HB3 SER 54 14.438 15.675 8.388 365 HG SER 54 HG SER 54 16.430 15.520 7.418 366 H ASN 55 H ASN 55 12.403 17.453 6.231 367 HA ASN 55 HA ASN 55 10.419 17.431 8.319 368 HB2 ASN 55 HB2 ASN 55 11.705 19.464 7.608 369 HB3 ASN 55 HB3 ASN 55 10.784 19.455 6.104 370 HD21 ASN 55 HD21 ASN 55 10.826 21.113 8.876 371 HD22 ASN 55 HD22 ASN 55 9.165 21.346 9.144 372 H VAL 56 H VAL 56 10.394 17.166 4.789 373 HA VAL 56 HA VAL 56 7.573 17.353 4.498 374 HB VAL 56 HB VAL 56 9.651 16.089 2.695 375 HG11 VAL 56 HG11 VAL 56 7.500 15.206 2.087 376 HG12 VAL 56 HG12 VAL 56 7.843 16.511 0.952 377 HG13 VAL 56 HG13 VAL 56 6.729 16.779 2.292 378 HG21 VAL 56 HG21 VAL 56 9.548 18.210 1.501 379 HG22 VAL 56 HG22 VAL 56 9.914 18.532 3.197 380 HG23 VAL 56 HG23 VAL 56 8.282 18.794 2.581 381 H SER 57 H SER 57 9.794 14.589 4.760 382 HA SER 57 HA SER 57 7.904 12.551 4.380 383 HB2 SER 57 HB2 SER 57 10.397 12.537 6.101 384 HB3 SER 57 HB3 SER 57 9.513 11.106 5.572 385 HG SER 57 HG SER 57 10.201 12.908 3.593 386 H HIS 58 H HIS 58 8.828 14.362 7.273 387 HA HIS 58 HA HIS 58 7.356 12.760 9.107 388 HB2 HIS 58 HB2 HIS 58 9.226 14.260 9.759 389 HB3 HIS 58 HB3 HIS 58 8.214 15.652 9.374 390 HD1 HIS 58 HD1 HIS 58 7.000 16.565 11.339 391 HD2 HIS 58 HD2 HIS 58 7.737 12.484 11.774 392 HE1 HIS 58 HE1 HIS 58 6.105 15.915 13.616 393 HE2 HIS 58 HE2 HIS 58 6.551 13.431 13.899 394 H GLN 59 H GLN 59 6.698 16.161 8.234 395 HA GLN 59 HA GLN 59 4.185 16.394 9.245 396 HB2 GLN 59 HB2 GLN 59 3.778 18.178 7.679 397 HB3 GLN 59 HB3 GLN 59 5.486 18.210 8.112 398 HG2 GLN 59 HG2 GLN 59 5.907 16.790 6.044 399 HG3 GLN 59 HG3 GLN 59 4.242 17.129 5.576 400 HE21 GLN 59 HE21 GLN 59 5.327 19.809 7.277 401 HE22 GLN 59 HE22 GLN 59 5.856 20.754 5.970 402 H LEU 60 H LEU 60 5.019 14.992 6.082 403 HA LEU 60 HA LEU 60 2.459 14.578 5.078 404 HB2 LEU 60 HB2 LEU 60 4.683 14.119 3.931 405 HB3 LEU 60 HB3 LEU 60 4.749 12.622 4.850 406 HG LEU 60 HG LEU 60 2.345 12.205 3.855 407 HD11 LEU 60 HD11 LEU 60 3.498 14.249 1.932 408 HD12 LEU 60 HD12 LEU 60 1.975 14.356 2.810 409 HD13 LEU 60 HD13 LEU 60 2.171 13.160 1.535 410 HD21 LEU 60 HD21 LEU 60 3.341 11.114 1.884 411 HD22 LEU 60 HD22 LEU 60 4.326 10.846 3.322 412 HD23 LEU 60 HD23 LEU 60 4.825 12.038 2.121 413 H LYS 61 H LYS 61 4.266 12.776 7.500 414 HA LYS 61 HA LYS 61 2.676 10.463 7.609 415 HB2 LYS 61 HB2 LYS 61 4.922 10.849 8.725 416 HB3 LYS 61 HB3 LYS 61 4.054 11.742 9.974 417 HG2 LYS 61 HG2 LYS 61 2.660 9.757 10.429 418 HG3 LYS 61 HG3 LYS 61 3.525 8.863 9.178 419 HD2 LYS 61 HD2 LYS 61 5.657 9.302 10.451 420 HD3 LYS 61 HD3 LYS 61 4.674 9.977 11.751 421 HE2 LYS 61 HE2 LYS 61 5.156 7.626 12.229 422 HE3 LYS 61 HE3 LYS 61 3.437 7.817 11.888 423 HZ1 LYS 61 HZ1 LYS 61 5.421 6.336 10.456 424 HZ2 LYS 61 HZ2 LYS 61 4.553 7.387 9.443 425 HZ3 LYS 61 HZ3 LYS 61 3.729 6.233 10.377 426 H LEU 62 H LEU 62 2.269 13.636 9.077 427 HA LEU 62 HA LEU 62 0.190 12.888 10.874 428 HB2 LEU 62 HB2 LEU 62 1.081 15.530 9.722 429 HB3 LEU 62 HB3 LEU 62 -0.293 15.416 10.812 430 HG LEU 62 HG LEU 62 1.858 15.976 11.954 431 HD11 LEU 62 HD11 LEU 62 1.100 13.257 12.977 432 HD12 LEU 62 HD12 LEU 62 -0.122 14.525 12.962 433 HD13 LEU 62 HD13 LEU 62 1.378 14.758 13.849 434 HD21 LEU 62 HD21 LEU 62 3.200 14.472 10.371 435 HD22 LEU 62 HD22 LEU 62 2.697 13.133 11.404 436 HD23 LEU 62 HD23 LEU 62 3.658 14.451 12.073 437 H LEU 63 H LEU 63 0.282 13.707 7.494 438 HA LEU 63 HA LEU 63 -2.553 14.222 7.279 439 HB2 LEU 63 HB2 LEU 63 -0.707 13.571 4.987 440 HB3 LEU 63 HB3 LEU 63 -2.153 14.582 4.985 441 HG LEU 63 HG LEU 63 0.489 15.200 6.339 442 HD11 LEU 63 HD11 LEU 63 0.699 16.944 4.725 443 HD12 LEU 63 HD12 LEU 63 -0.974 16.757 4.199 444 HD13 LEU 63 HD13 LEU 63 0.215 15.516 3.813 445 HD21 LEU 63 HD21 LEU 63 -2.209 16.560 6.443 446 HD22 LEU 63 HD22 LEU 63 -0.714 17.428 6.789 447 HD23 LEU 63 HD23 LEU 63 -1.189 16.059 7.792 448 H LYS 64 H LYS 64 -0.373 11.516 6.625 449 HA LYS 64 HA LYS 64 -2.275 9.836 5.363 450 HB2 LYS 64 HB2 LYS 64 0.192 9.488 5.286 451 HB3 LYS 64 HB3 LYS 64 0.151 9.026 6.987 452 HG2 LYS 64 HG2 LYS 64 -1.307 7.145 6.492 453 HG3 LYS 64 HG3 LYS 64 -1.448 7.650 4.809 454 HD2 LYS 64 HD2 LYS 64 0.902 7.224 4.419 455 HD3 LYS 64 HD3 LYS 64 1.179 6.921 6.135 456 HE2 LYS 64 HE2 LYS 64 1.015 4.772 5.056 457 HE3 LYS 64 HE3 LYS 64 -0.480 5.012 5.962 458 HZ1 LYS 64 HZ1 LYS 64 -0.146 4.615 3.196 459 HZ2 LYS 64 HZ2 LYS 64 -0.848 6.140 3.450 460 HZ3 LYS 64 HZ3 LYS 64 -1.587 4.747 4.082 461 H SER 65 H SER 65 -1.803 10.761 8.639 462 HA SER 65 HA SER 65 -2.978 8.453 9.865 463 HB2 SER 65 HB2 SER 65 -2.934 9.743 11.900 464 HB3 SER 65 HB3 SER 65 -1.439 10.067 11.021 465 HG SER 65 HG SER 65 -2.755 11.887 10.088 466 H VAL 66 H VAL 66 -4.183 11.793 9.432 467 HA VAL 66 HA VAL 66 -6.816 11.184 10.273 468 HB VAL 66 HB VAL 66 -5.959 13.454 10.347 469 HG11 VAL 66 HG11 VAL 66 -5.390 14.706 8.395 470 HG12 VAL 66 HG12 VAL 66 -6.042 13.462 7.325 471 HG13 VAL 66 HG13 VAL 66 -4.565 13.156 8.236 472 HG21 VAL 66 HG21 VAL 66 -7.895 14.577 9.563 473 HG22 VAL 66 HG22 VAL 66 -8.443 12.939 9.914 474 HG23 VAL 66 HG23 VAL 66 -8.132 13.429 8.249 475 H HIS 67 H HIS 67 -5.206 10.238 7.552 476 HA HIS 67 HA HIS 67 -5.898 8.951 5.802 477 HB2 HIS 67 HB2 HIS 67 -8.794 9.505 6.394 478 HB3 HIS 67 HB3 HIS 67 -8.048 8.054 5.734 479 HD1 HIS 67 HD1 HIS 67 -9.456 9.253 8.775 480 HD2 HIS 67 HD2 HIS 67 -6.149 6.882 7.862 481 HE1 HIS 67 HE1 HIS 67 -8.879 7.986 10.887 482 HE2 HIS 67 HE2 HIS 67 -6.869 6.531 10.348 483 H LEU 68 H LEU 68 -5.880 12.076 5.877 484 HA LEU 68 HA LEU 68 -7.531 12.709 3.562 485 HB2 LEU 68 HB2 LEU 68 -5.519 14.262 5.183 486 HB3 LEU 68 HB3 LEU 68 -6.169 14.903 3.680 487 HG LEU 68 HG LEU 68 -7.898 13.956 5.981 488 HD11 LEU 68 HD11 LEU 68 -7.060 16.784 5.281 489 HD12 LEU 68 HD12 LEU 68 -6.430 15.854 6.639 490 HD13 LEU 68 HD13 LEU 68 -8.132 16.310 6.598 491 HD21 LEU 68 HD21 LEU 68 -9.342 14.013 4.169 492 HD22 LEU 68 HD22 LEU 68 -8.435 15.271 3.333 493 HD23 LEU 68 HD23 LEU 68 -9.470 15.681 4.696 494 H VAL 69 H VAL 69 -4.555 11.264 4.147 495 HA VAL 69 HA VAL 69 -3.812 11.461 1.295 496 HB VAL 69 HB VAL 69 -1.947 11.907 3.642 497 HG11 VAL 69 HG11 VAL 69 -0.759 10.591 2.037 498 HG12 VAL 69 HG12 VAL 69 -0.273 12.260 1.743 499 HG13 VAL 69 HG13 VAL 69 -1.454 11.486 0.686 500 HG21 VAL 69 HG21 VAL 69 -2.805 13.674 1.328 501 HG22 VAL 69 HG22 VAL 69 -1.570 14.091 2.516 502 HG23 VAL 69 HG23 VAL 69 -3.247 13.894 3.022 503 H LYS 70 H LYS 70 -2.390 9.727 0.625 504 HA LYS 70 HA LYS 70 -2.170 7.410 2.419 505 HB2 LYS 70 HB2 LYS 70 -4.381 7.262 1.221 506 HB3 LYS 70 HB3 LYS 70 -3.487 7.207 -0.299 507 HG2 LYS 70 HG2 LYS 70 -2.299 5.192 0.455 508 HG3 LYS 70 HG3 LYS 70 -3.145 5.257 2.001 509 HD2 LYS 70 HD2 LYS 70 -5.315 5.071 0.753 510 HD3 LYS 70 HD3 LYS 70 -4.391 4.837 -0.731 511 HE2 LYS 70 HE2 LYS 70 -4.100 3.095 1.733 512 HE3 LYS 70 HE3 LYS 70 -5.126 2.688 0.356 513 HZ1 LYS 70 HZ1 LYS 70 -2.330 2.381 0.638 514 HZ2 LYS 70 HZ2 LYS 70 -2.664 3.396 -0.683 515 HZ3 LYS 70 HZ3 LYS 70 -3.342 1.842 -0.613 516 H ALA 71 H ALA 71 -0.383 6.242 2.044 517 HA ALA 71 HA ALA 71 1.386 7.074 -0.176 518 HB1 ALA 71 HB1 ALA 71 2.355 7.295 2.037 519 HB2 ALA 71 HB2 ALA 71 3.150 5.967 1.191 520 HB3 ALA 71 HB3 ALA 71 1.937 5.626 2.425 521 H LYS 72 H LYS 72 2.210 5.620 -1.610 522 HA LYS 72 HA LYS 72 1.623 2.760 -1.339 523 HB2 LYS 72 HB2 LYS 72 0.654 2.710 -3.646 524 HB3 LYS 72 HB3 LYS 72 -0.362 3.555 -2.478 525 HG2 LYS 72 HG2 LYS 72 0.642 5.717 -3.239 526 HG3 LYS 72 HG3 LYS 72 1.528 4.829 -4.479 527 HD2 LYS 72 HD2 LYS 72 -0.592 4.037 -5.444 528 HD3 LYS 72 HD3 LYS 72 -1.492 4.887 -4.189 529 HE2 LYS 72 HE2 LYS 72 0.352 6.194 -6.214 530 HE3 LYS 72 HE3 LYS 72 -1.410 6.200 -6.288 531 HZ1 LYS 72 HZ1 LYS 72 0.292 7.405 -4.177 532 HZ2 LYS 72 HZ2 LYS 72 -1.399 7.283 -4.081 533 HZ3 LYS 72 HZ3 LYS 72 -0.684 8.227 -5.298 534 H ARG 73 H ARG 73 2.709 1.495 -3.042 535 HA ARG 73 HA ARG 73 5.350 2.621 -3.623 536 HB2 ARG 73 HB2 ARG 73 4.238 -0.173 -3.980 537 HB3 ARG 73 HB3 ARG 73 5.916 0.303 -4.244 538 HG2 ARG 73 HG2 ARG 73 6.086 1.020 -1.889 539 HG3 ARG 73 HG3 ARG 73 4.407 0.550 -1.623 540 HD2 ARG 73 HD2 ARG 73 6.629 -1.320 -2.498 541 HD3 ARG 73 HD3 ARG 73 5.981 -1.207 -0.863 542 HE ARG 73 HE ARG 73 4.736 -2.514 -3.123 543 HH11 ARG 73 HH21 ARG 73 4.300 -0.973 -0.055 544 HH12 ARG 73 HH22 ARG 73 2.804 -1.776 0.291 545 HH21 ARG 73 HH11 ARG 73 2.770 -3.562 -2.680 546 HH22 ARG 73 HH12 ARG 73 1.939 -3.241 -1.195 547 H GLN 74 H GLN 74 6.000 3.249 -5.591 548 HA GLN 74 HA GLN 74 4.512 2.400 -7.995 549 HB2 GLN 74 HB2 GLN 74 5.226 5.286 -7.423 550 HB3 GLN 74 HB3 GLN 74 4.336 4.660 -8.812 551 HG2 GLN 74 HG2 GLN 74 3.420 4.536 -5.923 552 HG3 GLN 74 HG3 GLN 74 2.799 5.635 -7.150 553 HE21 GLN 74 HE21 GLN 74 2.908 3.562 -9.305 554 HE22 GLN 74 HE22 GLN 74 1.622 2.503 -8.981 555 H GLY 75 H GLY 75 6.472 1.087 -8.167 556 HA2 GLY 75 HA2 GLY 75 8.365 0.721 -9.479 557 HA3 GLY 75 HA3 GLY 75 8.508 2.457 -9.728 558 H GLN 76 H GLN 76 9.832 3.635 -8.430 559 HA GLN 76 HA GLN 76 11.140 2.308 -6.118 560 HB2 GLN 76 HB2 GLN 76 12.450 3.806 -8.396 561 HB3 GLN 76 HB3 GLN 76 13.263 3.430 -6.877 562 HG2 GLN 76 HG2 GLN 76 12.877 1.032 -7.242 563 HG3 GLN 76 HG3 GLN 76 12.008 1.386 -8.734 564 HE21 GLN 76 HE21 GLN 76 14.232 -0.263 -8.951 565 HE22 GLN 76 HE22 GLN 76 15.512 0.575 -9.686 566 H SER 77 H SER 77 9.083 4.590 -6.817 567 HA SER 77 HA SER 77 10.220 6.576 -4.918 568 HB2 SER 77 HB2 SER 77 9.355 8.354 -6.196 569 HB3 SER 77 HB3 SER 77 10.085 7.285 -7.393 570 HG SER 77 HG SER 77 8.192 7.150 -8.252 571 H MET 78 H MET 78 8.938 7.139 -3.270 572 HA MET 78 HA MET 78 6.382 5.768 -2.948 573 HB2 MET 78 HB2 MET 78 7.871 7.641 -1.090 574 HB3 MET 78 HB3 MET 78 6.450 6.685 -0.672 575 HG2 MET 78 HG2 MET 78 8.316 5.417 0.103 576 HG3 MET 78 HG3 MET 78 7.803 4.632 -1.391 577 HE1 MET 78 HE1 MET 78 11.605 4.172 -1.337 578 HE2 MET 78 HE2 MET 78 10.223 3.481 -2.188 579 HE3 MET 78 HE3 MET 78 10.139 3.755 -0.447 580 H ILE 79 H ILE 79 5.113 6.846 -4.525 581 HA ILE 79 HA ILE 79 4.675 9.732 -4.249 582 HB ILE 79 HB ILE 79 3.302 7.813 -6.137 583 HG12 ILE 79 HG12 ILE 79 5.885 9.361 -6.526 584 HG13 ILE 79 HG13 ILE 79 5.752 7.608 -6.388 585 HG21 ILE 79 HG21 ILE 79 3.901 10.779 -6.340 586 HG22 ILE 79 HG22 ILE 79 2.359 10.118 -5.796 587 HG23 ILE 79 HG23 ILE 79 2.911 9.824 -7.444 588 HD11 ILE 79 HD11 ILE 79 4.150 7.721 -8.381 589 HD12 ILE 79 HD12 ILE 79 5.846 8.056 -8.728 590 HD13 ILE 79 HD13 ILE 79 4.695 9.385 -8.594 591 H TYR 80 H TYR 80 2.691 10.643 -3.714 592 HA TYR 80 HA TYR 80 0.570 8.867 -2.662 593 HB2 TYR 80 HB2 TYR 80 0.370 10.533 -0.739 594 HB3 TYR 80 HB3 TYR 80 1.751 9.440 -0.682 595 HD1 TYR 80 HD2 TYR 80 4.021 10.239 -1.205 596 HD2 TYR 80 HD1 TYR 80 0.653 12.906 -1.182 597 HE1 TYR 80 HE2 TYR 80 5.560 12.183 -1.167 598 HE2 TYR 80 HE1 TYR 80 2.193 14.849 -1.145 599 HH TYR 80 HH TYR 80 5.633 14.478 -1.601 600 H SER 81 H SER 81 -1.383 10.290 -2.048 601 HA SER 81 HA SER 81 -1.771 12.777 -3.363 602 HB2 SER 81 HB2 SER 81 -1.643 11.264 -5.358 603 HB3 SER 81 HB3 SER 81 -3.054 10.406 -4.739 604 HG SER 81 HG SER 81 -3.993 11.897 -5.940 605 H LEU 82 H LEU 82 -4.547 12.378 -3.996 606 HA LEU 82 HA LEU 82 -5.669 12.710 -1.398 607 HB2 LEU 82 HB2 LEU 82 -7.252 12.144 -3.903 608 HB3 LEU 82 HB3 LEU 82 -7.717 13.116 -2.507 609 HG LEU 82 HG LEU 82 -5.570 13.779 -4.542 610 HD11 LEU 82 HD11 LEU 82 -7.820 14.222 -5.351 611 HD12 LEU 82 HD12 LEU 82 -7.062 15.759 -4.931 612 HD13 LEU 82 HD13 LEU 82 -8.242 15.031 -3.842 613 HD21 LEU 82 HD21 LEU 82 -5.530 15.972 -3.187 614 HD22 LEU 82 HD22 LEU 82 -4.733 14.575 -2.464 615 HD23 LEU 82 HD23 LEU 82 -6.336 15.059 -1.911 616 H ASP 83 H ASP 83 -8.126 11.362 -1.645 617 HA ASP 83 HA ASP 83 -7.586 8.507 -1.856 618 HB2 ASP 83 HB2 ASP 83 -6.837 9.229 0.463 619 HB3 ASP 83 HB3 ASP 83 -8.523 9.623 0.790 620 H ASP 84 H ASP 84 -9.599 11.174 -2.017 621 HA ASP 84 HA ASP 84 -11.813 9.624 -2.952 622 HB2 ASP 84 HB2 ASP 84 -11.997 9.466 -0.411 623 HB3 ASP 84 HB3 ASP 84 -12.337 11.197 -0.429 624 H ILE 85 H ILE 85 -13.589 10.991 -3.696 625 HA ILE 85 HA ILE 85 -12.591 13.493 -4.764 626 HB ILE 85 HB ILE 85 -14.859 13.546 -5.874 627 HG12 ILE 85 HG12 ILE 85 -15.098 10.772 -4.672 628 HG13 ILE 85 HG13 ILE 85 -15.976 12.180 -4.073 629 HG21 ILE 85 HG21 ILE 85 -12.836 12.546 -6.924 630 HG22 ILE 85 HG22 ILE 85 -14.314 11.715 -7.409 631 HG23 ILE 85 HG23 ILE 85 -13.253 10.994 -6.199 632 HD11 ILE 85 HD11 ILE 85 -16.144 11.014 -6.869 633 HD12 ILE 85 HD12 ILE 85 -16.958 12.488 -6.346 634 HD13 ILE 85 HD13 ILE 85 -17.395 10.937 -5.628 635 H HIS 86 H HIS 86 -14.018 12.632 -1.895 636 HA HIS 86 HA HIS 86 -15.800 14.881 -1.575 637 HB2 HIS 86 HB2 HIS 86 -14.657 12.910 0.419 638 HB3 HIS 86 HB3 HIS 86 -15.872 14.128 0.803 639 HD1 HIS 86 HD1 HIS 86 -16.055 10.803 0.564 640 HD2 HIS 86 HD2 HIS 86 -17.806 13.698 -1.873 641 HE1 HIS 86 HE1 HIS 86 -18.032 9.693 -0.558 642 HE2 HIS 86 HE2 HIS 86 -19.109 11.442 -2.051 643 H VAL 87 H VAL 87 -12.430 14.233 -1.076 644 HA VAL 87 HA VAL 87 -11.866 16.241 0.841 645 HB VAL 87 HB VAL 87 -10.073 15.068 -1.301 646 HG11 VAL 87 HG11 VAL 87 -8.298 15.711 0.419 647 HG12 VAL 87 HG12 VAL 87 -9.543 16.688 1.199 648 HG13 VAL 87 HG13 VAL 87 -9.042 17.052 -0.452 649 HG21 VAL 87 HG21 VAL 87 -9.304 13.645 0.648 650 HG22 VAL 87 HG22 VAL 87 -10.942 13.301 0.090 651 HG23 VAL 87 HG23 VAL 87 -10.691 14.255 1.551 652 H ALA 88 H ALA 88 -11.731 16.235 -2.713 653 HA ALA 88 HA ALA 88 -10.718 18.818 -3.073 654 HB1 ALA 88 HB1 ALA 88 -11.611 18.674 -5.332 655 HB2 ALA 88 HB2 ALA 88 -12.689 17.363 -4.853 656 HB3 ALA 88 HB3 ALA 88 -10.944 17.108 -4.867 657 H THR 89 H THR 89 -14.132 17.840 -3.466 658 HA THR 89 HA THR 89 -15.303 20.293 -3.710 659 HB THR 89 HB THR 89 -17.331 19.293 -2.690 660 HG1 THR 89 HG1 THR 89 -16.383 16.833 -2.322 661 HG21 THR 89 HG21 THR 89 -15.709 17.507 -4.526 662 HG22 THR 89 HG22 THR 89 -16.840 18.770 -5.009 663 HG23 THR 89 HG23 THR 89 -17.435 17.308 -4.222 664 H MET 90 H MET 90 -14.575 18.649 -0.634 665 HA MET 90 HA MET 90 -15.628 20.331 1.214 666 HB2 MET 90 HB2 MET 90 -14.202 18.274 1.626 667 HB3 MET 90 HB3 MET 90 -12.792 19.314 1.434 668 HG2 MET 90 HG2 MET 90 -13.601 20.759 3.260 669 HG3 MET 90 HG3 MET 90 -15.021 19.730 3.449 670 HE1 MET 90 HE1 MET 90 -12.610 19.209 6.546 671 HE2 MET 90 HE2 MET 90 -13.926 20.173 5.878 672 HE3 MET 90 HE3 MET 90 -12.256 20.563 5.472 673 H LEU 91 H LEU 91 -12.479 20.822 -0.388 674 HA LEU 91 HA LEU 91 -11.888 23.267 0.911 675 HB2 LEU 91 HB2 LEU 91 -10.923 22.421 -1.826 676 HB3 LEU 91 HB3 LEU 91 -10.124 23.512 -0.697 677 HG LEU 91 HG LEU 91 -10.673 20.577 -0.153 678 HD11 LEU 91 HD11 LEU 91 -8.090 21.972 -0.919 679 HD12 LEU 91 HD12 LEU 91 -9.033 20.927 -1.980 680 HD13 LEU 91 HD13 LEU 91 -8.270 20.260 -0.536 681 HD21 LEU 91 HD21 LEU 91 -9.252 22.781 1.353 682 HD22 LEU 91 HD22 LEU 91 -8.876 21.083 1.642 683 HD23 LEU 91 HD23 LEU 91 -10.504 21.683 1.936 684 H LYS 92 H LYS 92 -13.567 22.510 -2.103 685 HA LYS 92 HA LYS 92 -13.753 25.261 -2.926 686 HB2 LYS 92 HB2 LYS 92 -15.202 22.795 -3.919 687 HB3 LYS 92 HB3 LYS 92 -15.204 24.370 -4.713 688 HG2 LYS 92 HG2 LYS 92 -12.768 24.258 -4.988 689 HG3 LYS 92 HG3 LYS 92 -12.728 22.712 -4.141 690 HD2 LYS 92 HD2 LYS 92 -14.157 21.716 -5.893 691 HD3 LYS 92 HD3 LYS 92 -14.194 23.263 -6.740 692 HE2 LYS 92 HE2 LYS 92 -11.854 23.174 -7.207 693 HE3 LYS 92 HE3 LYS 92 -11.606 21.848 -6.072 694 HZ1 LYS 92 HZ1 LYS 92 -13.437 20.798 -7.699 695 HZ2 LYS 92 HZ2 LYS 92 -11.763 20.608 -7.918 696 HZ3 LYS 92 HZ3 LYS 92 -12.605 21.796 -8.792 697 H GLN 93 H GLN 93 -15.448 23.366 -0.685 698 HA GLN 93 HA GLN 93 -18.011 24.730 -0.998 699 HB2 GLN 93 HB2 GLN 93 -16.960 22.670 0.945 700 HB3 GLN 93 HB3 GLN 93 -18.547 23.419 1.117 701 HG2 GLN 93 HG2 GLN 93 -17.656 22.070 -1.439 702 HG3 GLN 93 HG3 GLN 93 -18.491 21.201 -0.152 703 HE21 GLN 93 HE21 GLN 93 -19.026 22.951 -2.987 704 HE22 GLN 93 HE22 GLN 93 -20.656 23.351 -2.732 705 H ALA 94 H ALA 94 -15.051 25.108 0.721 706 HA ALA 94 HA ALA 94 -16.146 26.741 2.849 707 HB1 ALA 94 HB1 ALA 94 -13.264 26.417 1.983 708 HB2 ALA 94 HB2 ALA 94 -14.085 25.353 3.126 709 HB3 ALA 94 HB3 ALA 94 -13.841 27.055 3.523 710 H ILE 95 H ILE 95 -13.871 27.386 0.172 711 HA ILE 95 HA ILE 95 -13.832 30.161 0.404 712 HB ILE 95 HB ILE 95 -13.510 28.430 -2.059 713 HG12 ILE 95 HG12 ILE 95 -11.424 29.753 -0.303 714 HG13 ILE 95 HG13 ILE 95 -11.954 28.086 -0.082 715 HG21 ILE 95 HG21 ILE 95 -13.948 30.654 -2.830 716 HG22 ILE 95 HG22 ILE 95 -12.195 30.469 -2.861 717 HG23 ILE 95 HG23 ILE 95 -12.964 31.364 -1.551 718 HD11 ILE 95 HD11 ILE 95 -9.898 28.235 -1.472 719 HD12 ILE 95 HD12 ILE 95 -10.786 29.207 -2.646 720 HD13 ILE 95 HD13 ILE 95 -11.249 27.529 -2.361 721 H HIS 96 H HIS 96 -16.271 28.072 -0.932 722 HA HIS 96 HA HIS 96 -17.609 30.027 -2.521 723 HB2 HIS 96 HB2 HIS 96 -18.476 27.404 -1.297 724 HB3 HIS 96 HB3 HIS 96 -19.577 28.407 -2.240 725 HD1 HIS 96 HD1 HIS 96 -15.980 28.322 -3.219 726 HD2 HIS 96 HD2 HIS 96 -19.535 26.477 -4.377 727 HE1 HIS 96 HE1 HIS 96 -15.513 27.199 -5.438 728 HE2 HIS 96 HE2 HIS 96 -17.669 26.069 -6.159 729 H HIS 97 H HIS 97 -18.153 28.808 0.785 730 HA HIS 97 HA HIS 97 -20.376 30.458 1.353 731 HB2 HIS 97 HB2 HIS 97 -19.624 28.422 2.659 732 HB3 HIS 97 HB3 HIS 97 -18.365 29.436 3.365 733 HD1 HIS 97 HD1 HIS 97 -21.997 28.707 3.528 734 HD2 HIS 97 HD2 HIS 97 -19.392 31.600 5.020 735 HE1 HIS 97 HE1 HIS 97 -23.254 29.928 5.354 736 HE2 HIS 97 HE2 HIS 97 -21.679 31.690 6.281 737 H ALA 98 H ALA 98 -17.084 31.206 0.975 738 HA ALA 98 HA ALA 98 -16.875 33.358 2.837 739 HB1 ALA 98 HB1 ALA 98 -14.803 33.857 1.775 740 HB2 ALA 98 HB2 ALA 98 -15.293 33.057 0.282 741 HB3 ALA 98 HB3 ALA 98 -14.957 32.101 1.726 742 H ASN 99 H ASN 99 -16.910 33.525 -0.732 743 HA ASN 99 HA ASN 99 -17.658 36.285 -0.717 744 HB2 ASN 99 HB2 ASN 99 -17.530 34.214 -2.916 745 HB3 ASN 99 HB3 ASN 99 -17.938 35.906 -3.197 746 HD21 ASN 99 HD21 ASN 99 -15.440 34.288 -1.142 747 HD22 ASN 99 HD22 ASN 99 -14.145 35.192 -1.764 748 H HIS 100 H HIS 100 -19.549 35.360 0.835 749 HA HIS 100 HA HIS 100 -21.893 34.501 -0.617 750 HB2 HIS 100 HB2 HIS 100 -21.152 34.071 1.901 751 HB3 HIS 100 HB3 HIS 100 -22.041 35.557 2.199 752 HD1 HIS 100 HD1 HIS 100 -22.726 32.324 2.756 753 HD2 HIS 100 HD2 HIS 100 -24.643 35.036 0.236 754 HE1 HIS 100 HE1 HIS 100 -25.067 31.432 2.393 755 HE2 HIS 100 HE2 HIS 100 -26.246 33.069 0.852 756 HA PRO 101 HA PRO 101 -23.068 39.126 0.620 757 HB2 PRO 101 HB2 PRO 101 -20.431 40.281 -0.256 758 HB3 PRO 101 HB3 PRO 101 -21.526 40.828 1.025 759 HG2 PRO 101 HG2 PRO 101 -19.307 39.526 1.638 760 HG3 PRO 101 HG3 PRO 101 -20.814 39.170 2.502 761 HD2 PRO 101 HD2 PRO 101 -19.478 37.598 0.308 762 HD3 PRO 101 HD3 PRO 101 -20.276 37.008 1.781 763 H LYS 102 H LYS 102 -22.587 41.245 -1.102 764 HA LYS 102 HA LYS 102 -22.376 40.296 -3.829 765 HB2 LYS 102 HB2 LYS 102 -24.580 40.817 -4.551 766 HB3 LYS 102 HB3 LYS 102 -24.750 39.777 -3.142 767 HG2 LYS 102 HG2 LYS 102 -25.075 42.792 -3.227 768 HG3 LYS 102 HG3 LYS 102 -26.329 41.590 -2.946 769 HD2 LYS 102 HD2 LYS 102 -24.900 40.850 -0.916 770 HD3 LYS 102 HD3 LYS 102 -24.059 42.388 -1.120 771 HE2 LYS 102 HE2 LYS 102 -26.179 43.602 -0.905 772 HE3 LYS 102 HE3 LYS 102 -27.052 42.078 -0.749 773 HZ1 LYS 102 HZ1 LYS 102 -24.983 43.127 1.103 774 HZ2 LYS 102 HZ2 LYS 102 -25.708 41.597 1.233 775 HZ3 LYS 102 HZ3 LYS 102 -26.647 43.001 1.414 776 H GLU 103 H GLU 103 -22.567 42.084 -5.398 777 HA GLU 103 HA GLU 103 -21.676 44.097 -6.092 778 HB2 GLU 103 HB2 GLU 103 -23.615 44.889 -3.915 779 HB3 GLU 103 HB3 GLU 103 -22.792 46.075 -4.928 780 HG2 GLU 103 HG2 GLU 103 -23.739 45.072 -6.940 781 HG3 GLU 103 HG3 GLU 103 -24.481 43.789 -5.986 782 H ASN 9 H ASN 9 -1.922 35.009 -1.092 783 HA ASN 9 HA ASN 9 -4.702 36.023 -1.123 784 HB2 ASN 9 HB2 ASN 9 -5.380 33.623 -1.143 785 HB3 ASN 9 HB3 ASN 9 -4.610 34.123 -2.648 786 HD21 ASN 9 HD21 ASN 9 -4.063 32.300 0.369 787 HD22 ASN 9 HD22 ASN 9 -2.716 31.442 -0.205 788 H THR 10 H THR 10 -2.073 35.933 0.590 789 HA THR 10 HA THR 10 -2.458 34.308 2.828 790 HB THR 10 HB THR 10 -0.941 35.768 3.975 791 HG1 THR 10 HG1 THR 10 -1.964 37.724 3.565 792 HG21 THR 10 HG21 THR 10 -0.084 34.506 1.962 793 HG22 THR 10 HG22 THR 10 0.857 35.940 2.374 794 HG23 THR 10 HG23 THR 10 -0.280 35.989 1.026 795 H ASP 11 H ASP 11 -4.093 37.203 1.835 796 HA ASP 11 HA ASP 11 -5.164 37.896 4.403 797 HB2 ASP 11 HB2 ASP 11 -4.919 39.482 2.467 798 HB3 ASP 11 HB3 ASP 11 -6.243 38.631 1.674 799 H THR 12 H THR 12 -6.599 36.388 1.499 800 HA THR 12 HA THR 12 -9.106 35.827 2.643 801 HB THR 12 HB THR 12 -9.317 34.152 0.807 802 HG1 THR 12 HG1 THR 12 -6.631 34.362 0.936 803 HG21 THR 12 HG21 THR 12 -8.927 35.814 -1.052 804 HG22 THR 12 HG22 THR 12 -8.145 36.863 0.130 805 HG23 THR 12 HG23 THR 12 -9.852 36.455 0.306 806 H LEU 13 H LEU 13 -6.243 33.733 2.257 807 HA LEU 13 HA LEU 13 -7.205 31.418 3.400 808 HB2 LEU 13 HB2 LEU 13 -5.015 31.529 2.355 809 HB3 LEU 13 HB3 LEU 13 -4.440 32.636 3.596 810 HG LEU 13 HG LEU 13 -4.629 30.908 5.298 811 HD11 LEU 13 HD11 LEU 13 -5.957 29.367 3.067 812 HD12 LEU 13 HD12 LEU 13 -6.518 29.619 4.720 813 HD13 LEU 13 HD13 LEU 13 -5.182 28.520 4.405 814 HD21 LEU 13 HD21 LEU 13 -2.584 30.997 3.891 815 HD22 LEU 13 HD22 LEU 13 -3.306 29.819 2.796 816 HD23 LEU 13 HD23 LEU 13 -2.925 29.361 4.457 817 H GLU 14 H GLU 14 -6.274 34.410 4.949 818 HA GLU 14 HA GLU 14 -5.947 33.483 7.584 819 HB2 GLU 14 HB2 GLU 14 -5.431 35.811 6.637 820 HB3 GLU 14 HB3 GLU 14 -7.143 36.162 6.873 821 HG2 GLU 14 HG2 GLU 14 -6.034 36.904 8.860 822 HG3 GLU 14 HG3 GLU 14 -6.842 35.396 9.283 823 H ARG 15 H ARG 15 -8.827 35.045 6.145 824 HA ARG 15 HA ARG 15 -10.545 34.584 8.307 825 HB2 ARG 15 HB2 ARG 15 -11.295 34.716 5.377 826 HB3 ARG 15 HB3 ARG 15 -12.365 35.009 6.748 827 HG2 ARG 15 HG2 ARG 15 -10.719 36.847 7.446 828 HG3 ARG 15 HG3 ARG 15 -10.001 36.666 5.845 829 HD2 ARG 15 HD2 ARG 15 -12.205 37.117 4.815 830 HD3 ARG 15 HD3 ARG 15 -12.906 37.322 6.418 831 HE ARG 15 HE ARG 15 -11.924 39.428 6.532 832 HH11 ARG 15 HH21 ARG 15 -10.611 37.553 3.938 833 HH12 ARG 15 HH22 ARG 15 -9.723 38.870 3.249 834 HH21 ARG 15 HH11 ARG 15 -10.767 41.164 5.632 835 HH22 ARG 15 HH12 ARG 15 -9.805 40.915 4.214 836 H VAL 16 H VAL 16 -9.866 32.591 5.450 837 HA VAL 16 HA VAL 16 -11.796 30.627 5.772 838 HB VAL 16 HB VAL 16 -8.944 30.298 4.808 839 HG11 VAL 16 HG11 VAL 16 -10.009 28.374 3.526 840 HG12 VAL 16 HG12 VAL 16 -11.414 28.563 4.575 841 HG13 VAL 16 HG13 VAL 16 -9.852 28.124 5.265 842 HG21 VAL 16 HG21 VAL 16 -11.467 30.662 3.180 843 HG22 VAL 16 HG22 VAL 16 -9.795 30.768 2.628 844 HG23 VAL 16 HG23 VAL 16 -10.461 32.024 3.672 845 H THR 17 H THR 17 -8.769 31.090 7.488 846 HA THR 17 HA THR 17 -8.775 28.515 8.754 847 HB THR 17 HB THR 17 -7.348 30.992 9.732 848 HG1 THR 17 HG1 THR 17 -6.677 30.909 7.695 849 HG21 THR 17 HG21 THR 17 -5.797 29.437 10.672 850 HG22 THR 17 HG22 THR 17 -6.477 28.095 9.752 851 HG23 THR 17 HG23 THR 17 -7.397 28.815 11.072 852 H GLU 18 H GLU 18 -9.843 31.765 9.658 853 HA GLU 18 HA GLU 18 -10.436 31.250 12.358 854 HB2 GLU 18 HB2 GLU 18 -11.607 33.215 10.383 855 HB3 GLU 18 HB3 GLU 18 -12.040 33.194 12.092 856 HG2 GLU 18 HG2 GLU 18 -9.610 33.427 12.653 857 HG3 GLU 18 HG3 GLU 18 -9.268 33.597 10.932 858 H ILE 19 H ILE 19 -11.947 30.132 9.507 859 HA ILE 19 HA ILE 19 -14.611 29.858 10.501 860 HB ILE 19 HB ILE 19 -13.171 28.356 8.302 861 HG12 ILE 19 HG12 ILE 19 -15.154 30.648 8.170 862 HG13 ILE 19 HG13 ILE 19 -13.408 30.850 8.042 863 HG21 ILE 19 HG21 ILE 19 -15.577 27.916 7.557 864 HG22 ILE 19 HG22 ILE 19 -16.074 28.459 9.159 865 HG23 ILE 19 HG23 ILE 19 -15.052 27.033 8.987 866 HD11 ILE 19 HD11 ILE 19 -14.138 30.742 5.795 867 HD12 ILE 19 HD12 ILE 19 -15.280 29.444 6.139 868 HD13 ILE 19 HD13 ILE 19 -13.549 29.113 6.123 869 H PHE 20 H PHE 20 -12.331 27.228 9.726 870 HA PHE 20 HA PHE 20 -13.510 25.150 10.978 871 HB2 PHE 20 HB2 PHE 20 -10.546 25.758 11.070 872 HB3 PHE 20 HB3 PHE 20 -11.281 24.174 11.323 873 HD1 PHE 20 HD1 PHE 20 -12.891 23.330 9.436 874 HD2 PHE 20 HD2 PHE 20 -9.933 26.396 8.883 875 HE1 PHE 20 HE1 PHE 20 -12.941 22.937 6.988 876 HE2 PHE 20 HE2 PHE 20 -9.982 26.001 6.436 877 HZ PHE 20 HZ PHE 20 -11.485 24.271 5.488 878 H LYS 21 H LYS 21 -11.013 27.081 12.664 879 HA LYS 21 HA LYS 21 -11.207 26.028 15.167 880 HB2 LYS 21 HB2 LYS 21 -9.632 27.831 14.520 881 HB3 LYS 21 HB3 LYS 21 -10.965 28.986 14.564 882 HG2 LYS 21 HG2 LYS 21 -11.293 28.643 16.918 883 HG3 LYS 21 HG3 LYS 21 -10.213 27.251 16.928 884 HD2 LYS 21 HD2 LYS 21 -9.010 29.154 17.832 885 HD3 LYS 21 HD3 LYS 21 -8.336 28.769 16.249 886 HE2 LYS 21 HE2 LYS 21 -9.409 30.612 15.220 887 HE3 LYS 21 HE3 LYS 21 -10.527 30.826 16.567 888 HZ1 LYS 21 HZ1 LYS 21 -8.613 32.431 16.441 889 HZ2 LYS 21 HZ2 LYS 21 -7.599 31.137 16.865 890 HZ3 LYS 21 HZ3 LYS 21 -8.821 31.644 17.931 891 H ALA 22 H ALA 22 -13.480 28.243 13.647 892 HA ALA 22 HA ALA 22 -14.908 28.948 15.983 893 HB1 ALA 22 HB1 ALA 22 -16.135 28.802 13.234 894 HB2 ALA 22 HB2 ALA 22 -14.973 30.055 13.665 895 HB3 ALA 22 HB3 ALA 22 -16.496 29.926 14.543 896 H LEU 23 H LEU 23 -15.081 26.164 13.871 897 HA LEU 23 HA LEU 23 -17.617 25.255 15.020 898 HB2 LEU 23 HB2 LEU 23 -15.796 24.249 12.843 899 HB3 LEU 23 HB3 LEU 23 -17.098 23.247 13.467 900 HG LEU 23 HG LEU 23 -17.671 24.605 11.414 901 HD11 LEU 23 HD11 LEU 23 -19.458 25.552 13.639 902 HD12 LEU 23 HD12 LEU 23 -19.334 23.827 13.309 903 HD13 LEU 23 HD13 LEU 23 -19.872 24.927 12.048 904 HD21 LEU 23 HD21 LEU 23 -16.347 26.613 12.235 905 HD22 LEU 23 HD22 LEU 23 -17.705 26.958 13.307 906 HD23 LEU 23 HD23 LEU 23 -17.936 26.967 11.558 907 H GLY 24 H GLY 24 -14.737 25.403 16.336 908 HA2 GLY 24 HA2 GLY 24 -14.197 22.669 17.031 909 HA3 GLY 24 HA3 GLY 24 -13.472 24.098 17.763 910 H ASP 25 H ASP 25 -13.750 22.822 19.769 911 HA ASP 25 HA ASP 25 -14.795 22.455 21.779 912 HB2 ASP 25 HB2 ASP 25 -16.926 24.378 20.861 913 HB3 ASP 25 HB3 ASP 25 -16.392 24.046 22.507 914 H TYR 26 H TYR 26 -15.698 20.553 22.105 915 HA TYR 26 HA TYR 26 -17.356 19.141 20.414 916 HB2 TYR 26 HB2 TYR 26 -16.116 18.260 22.420 917 HB3 TYR 26 HB3 TYR 26 -17.392 18.935 23.431 918 HD1 TYR 26 HD2 TYR 26 -19.686 18.041 23.338 919 HD2 TYR 26 HD1 TYR 26 -16.508 16.320 21.015 920 HE1 TYR 26 HE2 TYR 26 -21.060 16.011 22.959 921 HE2 TYR 26 HE1 TYR 26 -17.882 14.290 20.639 922 HH TYR 26 HH TYR 26 -20.553 13.524 22.415 923 H ASN 27 H ASN 27 -18.404 20.841 23.373 924 HA ASN 27 HA ASN 27 -21.089 20.403 23.268 925 HB2 ASN 27 HB2 ASN 27 -19.826 21.690 25.027 926 HB3 ASN 27 HB3 ASN 27 -19.890 23.090 23.959 927 HD21 ASN 27 HD21 ASN 27 -22.014 24.068 23.554 928 HD22 ASN 27 HD22 ASN 27 -23.340 23.717 24.554 929 H ARG 28 H ARG 28 -19.295 22.803 21.379 930 HA ARG 28 HA ARG 28 -21.592 24.135 20.368 931 HB2 ARG 28 HB2 ARG 28 -18.731 24.000 19.409 932 HB3 ARG 28 HB3 ARG 28 -19.958 25.001 18.636 933 HG2 ARG 28 HG2 ARG 28 -20.389 26.083 20.861 934 HG3 ARG 28 HG3 ARG 28 -19.031 25.171 21.519 935 HD2 ARG 28 HD2 ARG 28 -17.655 26.206 19.585 936 HD3 ARG 28 HD3 ARG 28 -18.999 27.333 19.415 937 HE ARG 28 HE ARG 28 -17.024 27.336 21.501 938 HH11 ARG 28 HH21 ARG 28 -20.303 28.061 20.667 939 HH12 ARG 28 HH22 ARG 28 -20.504 29.245 21.915 940 HH21 ARG 28 HH11 ARG 28 -17.284 28.877 23.148 941 HH22 ARG 28 HH12 ARG 28 -18.791 29.714 23.314 942 H ILE 29 H ILE 29 -19.553 21.531 19.050 943 HA ILE 29 HA ILE 29 -20.603 21.370 16.499 944 HB ILE 29 HB ILE 29 -19.706 19.116 18.307 945 HG12 ILE 29 HG12 ILE 29 -18.266 20.547 16.054 946 HG13 ILE 29 HG13 ILE 29 -18.076 20.975 17.753 947 HG21 ILE 29 HG21 ILE 29 -19.319 17.961 16.059 948 HG22 ILE 29 HG22 ILE 29 -20.328 19.219 15.344 949 HG23 ILE 29 HG23 ILE 29 -21.003 18.124 16.550 950 HD11 ILE 29 HD11 ILE 29 -17.445 18.528 18.154 951 HD12 ILE 29 HD12 ILE 29 -16.274 19.488 17.251 952 HD13 ILE 29 HD13 ILE 29 -17.341 18.370 16.402 953 H ARG 30 H ARG 30 -22.057 20.356 19.529 954 HA ARG 30 HA ARG 30 -24.112 18.754 18.342 955 HB2 ARG 30 HB2 ARG 30 -23.803 20.033 21.064 956 HB3 ARG 30 HB3 ARG 30 -25.194 19.044 20.621 957 HG2 ARG 30 HG2 ARG 30 -23.591 17.196 20.012 958 HG3 ARG 30 HG3 ARG 30 -22.288 18.185 20.675 959 HD2 ARG 30 HD2 ARG 30 -24.756 17.409 22.248 960 HD3 ARG 30 HD3 ARG 30 -23.256 16.489 22.287 961 HE ARG 30 HE ARG 30 -22.640 19.171 22.850 962 HH11 ARG 30 HH21 ARG 30 -24.400 16.496 24.165 963 HH12 ARG 30 HH22 ARG 30 -24.156 16.968 25.813 964 HH21 ARG 30 HH11 ARG 30 -22.322 19.800 25.010 965 HH22 ARG 30 HH12 ARG 30 -22.985 18.841 26.291 966 H ILE 31 H ILE 31 -23.780 22.149 19.199 967 HA ILE 31 HA ILE 31 -26.495 22.884 19.074 968 HB ILE 31 HB ILE 31 -24.108 24.577 18.298 969 HG12 ILE 31 HG12 ILE 31 -25.408 24.158 21.008 970 HG13 ILE 31 HG13 ILE 31 -23.853 23.482 20.522 971 HG21 ILE 31 HG21 ILE 31 -26.324 25.522 17.709 972 HG22 ILE 31 HG22 ILE 31 -25.565 26.436 19.009 973 HG23 ILE 31 HG23 ILE 31 -26.855 25.292 19.373 974 HD11 ILE 31 HD11 ILE 31 -23.305 25.467 21.708 975 HD12 ILE 31 HD12 ILE 31 -24.588 26.386 20.920 976 HD13 ILE 31 HD13 ILE 31 -23.156 25.907 20.008 977 H MET 32 H MET 32 -24.010 22.679 16.551 978 HA MET 32 HA MET 32 -25.683 23.682 14.462 979 HB2 MET 32 HB2 MET 32 -23.132 23.598 14.485 980 HB3 MET 32 HB3 MET 32 -23.285 21.881 14.111 981 HG2 MET 32 HG2 MET 32 -23.060 22.999 12.005 982 HG3 MET 32 HG3 MET 32 -24.765 22.573 12.152 983 HE1 MET 32 HE1 MET 32 -23.971 24.780 10.046 984 HE2 MET 32 HE2 MET 32 -25.357 25.819 10.373 985 HE3 MET 32 HE3 MET 32 -25.533 24.067 10.455 986 H GLU 33 H GLU 33 -24.824 20.450 15.611 987 HA GLU 33 HA GLU 33 -25.887 18.897 13.588 988 HB2 GLU 33 HB2 GLU 33 -24.586 18.138 15.634 989 HB3 GLU 33 HB3 GLU 33 -26.110 18.204 16.519 990 HG2 GLU 33 HG2 GLU 33 -27.115 16.641 14.879 991 HG3 GLU 33 HG3 GLU 33 -25.573 16.552 14.032 992 H LEU 34 H LEU 34 -27.585 19.908 16.573 993 HA LEU 34 HA LEU 34 -30.045 18.762 15.772 994 HB2 LEU 34 HB2 LEU 34 -31.012 20.057 17.657 995 HB3 LEU 34 HB3 LEU 34 -29.612 19.091 18.086 996 HG LEU 34 HG LEU 34 -28.343 21.428 17.478 997 HD11 LEU 34 HD11 LEU 34 -30.409 22.658 16.976 998 HD12 LEU 34 HD12 LEU 34 -29.653 23.301 18.432 999 HD13 LEU 34 HD13 LEU 34 -31.056 22.241 18.561 1000 HD21 LEU 34 HD21 LEU 34 -27.993 20.315 19.574 1001 HD22 LEU 34 HD22 LEU 34 -29.641 20.658 20.099 1002 HD23 LEU 34 HD23 LEU 34 -28.475 21.971 19.942 1003 H LEU 35 H LEU 35 -28.610 21.896 15.182 1004 HA LEU 35 HA LEU 35 -30.986 23.251 14.398 1005 HB2 LEU 35 HB2 LEU 35 -28.060 23.649 13.801 1006 HB3 LEU 35 HB3 LEU 35 -29.275 24.649 13.015 1007 HG LEU 35 HG LEU 35 -29.065 24.315 16.019 1008 HD11 LEU 35 HD11 LEU 35 -28.093 26.687 15.849 1009 HD12 LEU 35 HD12 LEU 35 -27.813 26.327 14.146 1010 HD13 LEU 35 HD13 LEU 35 -27.033 25.354 15.393 1011 HD21 LEU 35 HD21 LEU 35 -30.299 26.662 15.740 1012 HD22 LEU 35 HD22 LEU 35 -31.200 25.158 15.691 1013 HD23 LEU 35 HD23 LEU 35 -30.775 25.977 14.190 1014 H SER 36 H SER 36 -28.640 21.247 12.677 1015 HA SER 36 HA SER 36 -29.538 21.628 10.061 1016 HB2 SER 36 HB2 SER 36 -28.433 19.568 9.529 1017 HB3 SER 36 HB3 SER 36 -27.489 20.342 10.801 1018 HG SER 36 HG SER 36 -29.232 18.139 10.953 1019 H VAL 37 H VAL 37 -30.662 19.361 12.550 1020 HA VAL 37 HA VAL 37 -32.586 18.053 10.913 1021 HB VAL 37 HB VAL 37 -32.591 18.376 13.923 1022 HG11 VAL 37 HG11 VAL 37 -34.710 17.540 13.063 1023 HG12 VAL 37 HG12 VAL 37 -33.829 16.199 13.797 1024 HG13 VAL 37 HG13 VAL 37 -33.872 16.371 12.042 1025 HG21 VAL 37 HG21 VAL 37 -31.418 16.171 13.886 1026 HG22 VAL 37 HG22 VAL 37 -30.453 17.462 13.170 1027 HG23 VAL 37 HG23 VAL 37 -31.285 16.303 12.133 1028 H SER 38 H SER 38 -32.857 20.677 13.309 1029 HA SER 38 HA SER 38 -35.027 21.885 11.840 1030 HB2 SER 38 HB2 SER 38 -36.393 20.285 12.957 1031 HB3 SER 38 HB3 SER 38 -35.532 20.506 14.479 1032 HG SER 38 HG SER 38 -37.674 21.764 13.676 1033 H GLU 39 H GLU 39 -35.436 24.009 12.492 1034 HA GLU 39 HA GLU 39 -33.296 25.374 13.743 1035 HB2 GLU 39 HB2 GLU 39 -34.802 27.348 13.634 1036 HB3 GLU 39 HB3 GLU 39 -34.726 26.477 12.102 1037 HG2 GLU 39 HG2 GLU 39 -36.818 25.281 12.702 1038 HG3 GLU 39 HG3 GLU 39 -36.905 26.213 14.196 1039 H ALA 40 H ALA 40 -33.899 27.048 15.567 1040 HA ALA 40 HA ALA 40 -35.676 26.016 17.614 1041 HB1 ALA 40 HB1 ALA 40 -34.042 25.520 19.262 1042 HB2 ALA 40 HB2 ALA 40 -32.741 26.209 18.290 1043 HB3 ALA 40 HB3 ALA 40 -33.497 24.691 17.804 1044 H SER 41 H SER 41 -36.389 27.626 18.900 1045 HA SER 41 HA SER 41 -35.663 30.325 18.300 1046 HB2 SER 41 HB2 SER 41 -37.266 29.301 20.655 1047 HB3 SER 41 HB3 SER 41 -37.269 30.940 20.003 1048 HG SER 41 HG SER 41 -38.376 28.590 18.966 1049 H VAL 42 H VAL 42 -35.563 31.648 20.673 1050 HA VAL 42 HA VAL 42 -32.832 31.246 21.407 1051 HB VAL 42 HB VAL 42 -33.838 33.480 21.305 1052 HG11 VAL 42 HG11 VAL 42 -35.505 34.240 22.759 1053 HG12 VAL 42 HG12 VAL 42 -35.233 32.948 23.922 1054 HG13 VAL 42 HG13 VAL 42 -36.050 32.606 22.396 1055 HG21 VAL 42 HG21 VAL 42 -32.811 34.331 23.353 1056 HG22 VAL 42 HG22 VAL 42 -31.835 33.020 22.692 1057 HG23 VAL 42 HG23 VAL 42 -32.882 32.725 24.079 1058 H GLY 43 H GLY 43 -35.777 31.182 23.472 1059 HA2 GLY 43 HA2 GLY 43 -34.381 29.910 25.606 1060 HA3 GLY 43 HA3 GLY 43 -36.119 30.163 25.506 1061 H HIS 44 H HIS 44 -36.392 28.746 22.968 1062 HA HIS 44 HA HIS 44 -37.106 26.232 23.830 1063 HB2 HIS 44 HB2 HIS 44 -36.227 27.167 21.093 1064 HB3 HIS 44 HB3 HIS 44 -36.864 25.549 21.387 1065 HD1 HIS 44 HD1 HIS 44 -38.098 28.751 23.005 1066 HD2 HIS 44 HD2 HIS 44 -39.424 25.862 20.307 1067 HE1 HIS 44 HE1 HIS 44 -40.544 29.239 22.582 1068 HE2 HIS 44 HE2 HIS 44 -41.370 27.490 20.936 1069 H ILE 45 H ILE 45 -33.946 27.415 23.209 1070 HA ILE 45 HA ILE 45 -32.707 24.875 22.718 1071 HB ILE 45 HB ILE 45 -31.829 27.184 22.053 1072 HG12 ILE 45 HG12 ILE 45 -29.957 25.273 23.478 1073 HG13 ILE 45 HG13 ILE 45 -30.533 25.095 21.820 1074 HG21 ILE 45 HG21 ILE 45 -32.072 27.979 24.535 1075 HG22 ILE 45 HG22 ILE 45 -30.674 28.511 23.601 1076 HG23 ILE 45 HG23 ILE 45 -30.513 27.197 24.766 1077 HD11 ILE 45 HD11 ILE 45 -29.561 27.427 21.392 1078 HD12 ILE 45 HD12 ILE 45 -28.391 26.130 21.638 1079 HD13 ILE 45 HD13 ILE 45 -28.745 27.258 22.946 1080 H SER 46 H SER 46 -33.591 26.665 25.538 1081 HA SER 46 HA SER 46 -31.849 25.770 27.475 1082 HB2 SER 46 HB2 SER 46 -34.842 26.172 27.685 1083 HB3 SER 46 HB3 SER 46 -33.763 25.985 29.065 1084 HG SER 46 HG SER 46 -33.928 28.144 28.720 1085 H HIS 47 H HIS 47 -34.954 24.198 26.665 1086 HA HIS 47 HA HIS 47 -34.849 21.998 28.253 1087 HB2 HIS 47 HB2 HIS 47 -35.671 21.863 25.347 1088 HB3 HIS 47 HB3 HIS 47 -36.268 20.872 26.677 1089 HD1 HIS 47 HD1 HIS 47 -38.245 22.581 25.032 1090 HD2 HIS 47 HD2 HIS 47 -36.429 23.899 28.546 1091 HE1 HIS 47 HE1 HIS 47 -39.722 24.416 25.956 1092 HE2 HIS 47 HE2 HIS 47 -38.632 25.229 28.100 1093 H GLN 48 H GLN 48 -32.667 22.730 25.720 1094 HA GLN 48 HA GLN 48 -31.726 19.957 25.441 1095 HB2 GLN 48 HB2 GLN 48 -31.960 21.594 23.482 1096 HB3 GLN 48 HB3 GLN 48 -30.538 22.406 24.136 1097 HG2 GLN 48 HG2 GLN 48 -29.719 20.842 22.525 1098 HG3 GLN 48 HG3 GLN 48 -29.381 20.137 24.105 1099 HE21 GLN 48 HE21 GLN 48 -32.274 20.204 21.929 1100 HE22 GLN 48 HE22 GLN 48 -32.552 18.532 22.023 1101 H LEU 49 H LEU 49 -30.269 23.140 26.155 1102 HA LEU 49 HA LEU 49 -28.080 21.803 27.626 1103 HB2 LEU 49 HB2 LEU 49 -28.273 24.734 26.938 1104 HB3 LEU 49 HB3 LEU 49 -26.836 23.789 27.325 1105 HG LEU 49 HG LEU 49 -28.562 23.486 24.849 1106 HD11 LEU 49 HD11 LEU 49 -27.143 25.472 24.770 1107 HD12 LEU 49 HD12 LEU 49 -26.477 24.240 23.698 1108 HD13 LEU 49 HD13 LEU 49 -25.743 24.524 25.276 1109 HD21 LEU 49 HD21 LEU 49 -27.751 21.313 25.359 1110 HD22 LEU 49 HD22 LEU 49 -26.193 21.933 25.905 1111 HD23 LEU 49 HD23 LEU 49 -26.599 21.951 24.188 1112 H ASN 50 H ASN 50 -30.459 24.431 27.961 1113 HA ASN 50 HA ASN 50 -31.385 25.421 29.814 1114 HB2 ASN 50 HB2 ASN 50 -32.053 23.021 30.198 1115 HB3 ASN 50 HB3 ASN 50 -30.633 22.855 31.228 1116 HD21 ASN 50 HD21 ASN 50 -33.908 23.987 31.119 1117 HD22 ASN 50 HD22 ASN 50 -33.943 24.676 32.670 1118 H LEU 51 H LEU 51 -29.772 27.020 29.979 1119 HA LEU 51 HA LEU 51 -27.978 26.714 32.318 1120 HB2 LEU 51 HB2 LEU 51 -27.244 28.013 29.682 1121 HB3 LEU 51 HB3 LEU 51 -26.235 27.962 31.122 1122 HG LEU 51 HG LEU 51 -27.263 25.491 29.696 1123 HD11 LEU 51 HD11 LEU 51 -24.944 25.337 28.778 1124 HD12 LEU 51 HD12 LEU 51 -24.615 26.942 29.430 1125 HD13 LEU 51 HD13 LEU 51 -25.833 26.734 28.171 1126 HD21 LEU 51 HD21 LEU 51 -25.299 25.993 31.935 1127 HD22 LEU 51 HD22 LEU 51 -25.188 24.538 30.947 1128 HD23 LEU 51 HD23 LEU 51 -26.644 24.856 31.882 1129 H SER 52 H SER 52 -28.255 29.431 30.086 1130 HA SER 52 HA SER 52 -30.057 30.898 31.789 1131 HB2 SER 52 HB2 SER 52 -27.801 31.100 32.941 1132 HB3 SER 52 HB3 SER 52 -27.246 31.976 31.516 1133 HG SER 52 HG SER 52 -29.467 33.113 32.064 1134 H GLN 53 H GLN 53 -31.237 32.193 30.466 1135 HA GLN 53 HA GLN 53 -30.969 32.322 27.745 1136 HB2 GLN 53 HB2 GLN 53 -32.904 33.144 29.189 1137 HB3 GLN 53 HB3 GLN 53 -31.996 34.643 29.385 1138 HG2 GLN 53 HG2 GLN 53 -31.908 34.881 26.911 1139 HG3 GLN 53 HG3 GLN 53 -32.882 33.420 26.754 1140 HE21 GLN 53 HE21 GLN 53 -33.056 36.823 27.110 1141 HE22 GLN 53 HE22 GLN 53 -34.708 36.929 27.483 1142 H SER 54 H SER 54 -29.429 34.374 30.163 1143 HA SER 54 HA SER 54 -28.410 36.347 28.427 1144 HB2 SER 54 HB2 SER 54 -26.690 36.667 30.269 1145 HB3 SER 54 HB3 SER 54 -28.375 36.783 30.774 1146 HG SER 54 HG SER 54 -27.456 34.230 30.836 1147 H ASN 55 H ASN 55 -27.381 33.096 29.126 1148 HA ASN 55 HA ASN 55 -24.708 33.377 28.132 1149 HB2 ASN 55 HB2 ASN 55 -25.405 31.593 29.719 1150 HB3 ASN 55 HB3 ASN 55 -26.375 30.869 28.437 1151 HD21 ASN 55 HD21 ASN 55 -23.667 32.247 26.992 1152 HD22 ASN 55 HD22 ASN 55 -22.672 30.872 26.945 1153 H VAL 56 H VAL 56 -27.787 32.286 26.757 1154 HA VAL 56 HA VAL 56 -26.677 31.457 24.257 1155 HB VAL 56 HB VAL 56 -29.515 32.232 24.979 1156 HG11 VAL 56 HG11 VAL 56 -28.292 30.883 22.559 1157 HG12 VAL 56 HG12 VAL 56 -29.280 32.344 22.594 1158 HG13 VAL 56 HG13 VAL 56 -30.011 30.777 22.946 1159 HG21 VAL 56 HG21 VAL 56 -29.886 29.894 25.330 1160 HG22 VAL 56 HG22 VAL 56 -28.416 30.291 26.220 1161 HG23 VAL 56 HG23 VAL 56 -28.309 29.475 24.660 1162 H SER 57 H SER 57 -28.337 34.406 25.352 1163 HA SER 57 HA SER 57 -28.437 35.773 22.916 1164 HB2 SER 57 HB2 SER 57 -29.530 36.539 25.017 1165 HB3 SER 57 HB3 SER 57 -27.943 36.966 25.656 1166 HG SER 57 HG SER 57 -29.097 38.716 24.632 1167 H HIS 58 H HIS 58 -25.817 35.368 25.229 1168 HA HIS 58 HA HIS 58 -24.044 37.199 23.869 1169 HB2 HIS 58 HB2 HIS 58 -23.953 36.712 26.334 1170 HB3 HIS 58 HB3 HIS 58 -23.354 35.102 25.937 1171 HD1 HIS 58 HD1 HIS 58 -20.971 34.936 24.876 1172 HD2 HIS 58 HD2 HIS 58 -22.074 38.806 25.970 1173 HE1 HIS 58 HE1 HIS 58 -18.852 36.319 24.845 1174 HE2 HIS 58 HE2 HIS 58 -19.506 38.681 25.506 1175 H GLN 59 H GLN 59 -23.692 33.710 24.565 1176 HA GLN 59 HA GLN 59 -21.649 33.175 22.809 1177 HB2 GLN 59 HB2 GLN 59 -22.720 31.600 24.496 1178 HB3 GLN 59 HB3 GLN 59 -23.937 31.258 23.266 1179 HG2 GLN 59 HG2 GLN 59 -22.168 30.554 21.701 1180 HG3 GLN 59 HG3 GLN 59 -20.945 30.904 22.922 1181 HE21 GLN 59 HE21 GLN 59 -23.186 28.511 21.799 1182 HE22 GLN 59 HE22 GLN 59 -22.939 27.392 23.051 1183 H LEU 60 H LEU 60 -25.030 33.707 22.040 1184 HA LEU 60 HA LEU 60 -24.926 32.476 19.476 1185 HB2 LEU 60 HB2 LEU 60 -27.035 32.703 20.658 1186 HB3 LEU 60 HB3 LEU 60 -26.876 34.456 20.678 1187 HG LEU 60 HG LEU 60 -27.089 34.555 18.257 1188 HD11 LEU 60 HD11 LEU 60 -26.018 32.629 17.421 1189 HD12 LEU 60 HD12 LEU 60 -27.716 32.305 17.098 1190 HD13 LEU 60 HD13 LEU 60 -26.926 31.549 18.480 1191 HD21 LEU 60 HD21 LEU 60 -29.147 32.806 19.625 1192 HD22 LEU 60 HD22 LEU 60 -29.390 33.537 18.039 1193 HD23 LEU 60 HD23 LEU 60 -29.176 34.562 19.458 1194 H LYS 61 H LYS 61 -24.612 35.849 20.588 1195 HA LYS 61 HA LYS 61 -24.663 36.988 18.012 1196 HB2 LYS 61 HB2 LYS 61 -24.161 39.011 19.038 1197 HB3 LYS 61 HB3 LYS 61 -24.849 38.094 20.371 1198 HG2 LYS 61 HG2 LYS 61 -22.368 37.405 20.848 1199 HG3 LYS 61 HG3 LYS 61 -21.965 38.785 19.834 1200 HD2 LYS 61 HD2 LYS 61 -23.741 38.904 22.288 1201 HD3 LYS 61 HD3 LYS 61 -22.049 39.398 22.238 1202 HE2 LYS 61 HE2 LYS 61 -22.709 40.979 20.343 1203 HE3 LYS 61 HE3 LYS 61 -24.387 40.628 20.761 1204 HZ1 LYS 61 HZ1 LYS 61 -22.401 41.574 22.746 1205 HZ2 LYS 61 HZ2 LYS 61 -24.090 41.505 22.911 1206 HZ3 LYS 61 HZ3 LYS 61 -23.384 42.633 21.855 1207 H LEU 62 H LEU 62 -22.222 35.242 19.677 1208 HA LEU 62 HA LEU 62 -19.962 36.270 18.238 1209 HB2 LEU 62 HB2 LEU 62 -20.178 33.537 19.505 1210 HB3 LEU 62 HB3 LEU 62 -18.724 34.495 19.235 1211 HG LEU 62 HG LEU 62 -20.994 35.221 21.111 1212 HD11 LEU 62 HD11 LEU 62 -18.137 34.480 21.779 1213 HD12 LEU 62 HD12 LEU 62 -19.453 33.306 21.777 1214 HD13 LEU 62 HD13 LEU 62 -19.489 34.670 22.894 1215 HD21 LEU 62 HD21 LEU 62 -18.437 36.617 20.309 1216 HD22 LEU 62 HD22 LEU 62 -19.218 36.949 21.855 1217 HD23 LEU 62 HD23 LEU 62 -20.075 37.269 20.350 1218 H LEU 63 H LEU 63 -22.093 33.456 17.861 1219 HA LEU 63 HA LEU 63 -20.778 32.268 15.675 1220 HB2 LEU 63 HB2 LEU 63 -23.771 32.273 16.059 1221 HB3 LEU 63 HB3 LEU 63 -22.767 31.017 15.336 1222 HG LEU 63 HG LEU 63 -22.820 31.846 18.251 1223 HD11 LEU 63 HD11 LEU 63 -23.586 29.531 18.592 1224 HD12 LEU 63 HD12 LEU 63 -23.507 29.242 16.853 1225 HD13 LEU 63 HD13 LEU 63 -24.676 30.391 17.504 1226 HD21 LEU 63 HD21 LEU 63 -21.212 29.833 18.431 1227 HD22 LEU 63 HD22 LEU 63 -20.544 31.339 17.810 1228 HD23 LEU 63 HD23 LEU 63 -20.962 30.037 16.697 1229 H LYS 64 H LYS 64 -22.966 34.989 15.882 1230 HA LYS 64 HA LYS 64 -23.640 35.162 13.131 1231 HB2 LYS 64 HB2 LYS 64 -24.806 36.337 15.047 1232 HB3 LYS 64 HB3 LYS 64 -23.446 37.458 15.091 1233 HG2 LYS 64 HG2 LYS 64 -23.878 38.180 12.826 1234 HG3 LYS 64 HG3 LYS 64 -25.094 36.922 12.605 1235 HD2 LYS 64 HD2 LYS 64 -26.422 37.964 14.461 1236 HD3 LYS 64 HD3 LYS 64 -25.251 39.281 14.504 1237 HE2 LYS 64 HE2 LYS 64 -26.720 38.492 11.978 1238 HE3 LYS 64 HE3 LYS 64 -27.343 39.701 13.101 1239 HZ1 LYS 64 HZ1 LYS 64 -25.682 41.157 12.610 1240 HZ2 LYS 64 HZ2 LYS 64 -25.808 40.371 11.110 1241 HZ3 LYS 64 HZ3 LYS 64 -24.570 39.944 12.191 1242 H SER 65 H SER 65 -20.982 36.451 15.063 1243 HA SER 65 HA SER 65 -19.865 38.249 13.260 1244 HB2 SER 65 HB2 SER 65 -18.269 36.381 15.023 1245 HB3 SER 65 HB3 SER 65 -17.815 37.994 14.472 1246 HG SER 65 HG SER 65 -19.426 38.860 15.737 1247 H VAL 66 H VAL 66 -19.500 34.732 13.458 1248 HA VAL 66 HA VAL 66 -17.639 34.611 11.257 1249 HB VAL 66 HB VAL 66 -19.271 32.306 12.322 1250 HG11 VAL 66 HG11 VAL 66 -16.423 32.497 11.293 1251 HG12 VAL 66 HG12 VAL 66 -17.802 31.974 10.326 1252 HG13 VAL 66 HG13 VAL 66 -17.288 31.020 11.716 1253 HG21 VAL 66 HG21 VAL 66 -16.820 33.618 13.531 1254 HG22 VAL 66 HG22 VAL 66 -17.401 32.016 13.982 1255 HG23 VAL 66 HG23 VAL 66 -18.405 33.434 14.284 1256 H HIS 67 H HIS 67 -20.964 35.031 11.552 1257 HA HIS 67 HA HIS 67 -22.643 35.186 10.007 1258 HB2 HIS 67 HB2 HIS 67 -20.684 34.552 7.810 1259 HB3 HIS 67 HB3 HIS 67 -22.101 35.600 7.766 1260 HD1 HIS 67 HD1 HIS 67 -21.845 37.694 9.659 1261 HD2 HIS 67 HD2 HIS 67 -18.376 36.029 8.055 1262 HE1 HIS 67 HE1 HIS 67 -20.000 39.384 10.037 1263 HE2 HIS 67 HE2 HIS 67 -17.878 38.387 9.062 1264 H LEU 68 H LEU 68 -21.442 32.524 11.068 1265 HA LEU 68 HA LEU 68 -21.965 30.517 9.166 1266 HB2 LEU 68 HB2 LEU 68 -20.690 30.067 11.184 1267 HB3 LEU 68 HB3 LEU 68 -22.073 30.474 12.193 1268 HG LEU 68 HG LEU 68 -23.308 28.550 11.355 1269 HD11 LEU 68 HD11 LEU 68 -21.929 26.907 9.872 1270 HD12 LEU 68 HD12 LEU 68 -20.955 28.321 9.477 1271 HD13 LEU 68 HD13 LEU 68 -22.675 28.296 9.094 1272 HD21 LEU 68 HD21 LEU 68 -21.884 26.771 12.267 1273 HD22 LEU 68 HD22 LEU 68 -21.732 28.235 13.237 1274 HD23 LEU 68 HD23 LEU 68 -20.465 27.802 12.091 1275 H VAL 69 H VAL 69 -24.056 32.623 10.807 1276 HA VAL 69 HA VAL 69 -26.406 31.171 9.803 1277 HB VAL 69 HB VAL 69 -27.583 31.509 11.971 1278 HG11 VAL 69 HG11 VAL 69 -26.425 29.353 11.326 1279 HG12 VAL 69 HG12 VAL 69 -26.601 29.594 13.065 1280 HG13 VAL 69 HG13 VAL 69 -25.044 29.883 12.288 1281 HG21 VAL 69 HG21 VAL 69 -26.199 31.968 13.977 1282 HG22 VAL 69 HG22 VAL 69 -26.166 33.322 12.847 1283 HG23 VAL 69 HG23 VAL 69 -24.795 32.218 12.939 1284 H LYS 70 H LYS 70 -28.412 32.567 10.167 1285 HA LYS 70 HA LYS 70 -27.920 35.442 10.255 1286 HB2 LYS 70 HB2 LYS 70 -27.589 34.405 7.843 1287 HB3 LYS 70 HB3 LYS 70 -29.347 34.383 7.819 1288 HG2 LYS 70 HG2 LYS 70 -27.664 36.842 8.397 1289 HG3 LYS 70 HG3 LYS 70 -28.374 36.456 6.831 1290 HD2 LYS 70 HD2 LYS 70 -30.628 36.331 8.101 1291 HD3 LYS 70 HD3 LYS 70 -29.782 37.162 9.408 1292 HE2 LYS 70 HE2 LYS 70 -30.138 38.149 6.565 1293 HE3 LYS 70 HE3 LYS 70 -30.868 38.829 8.019 1294 HZ1 LYS 70 HZ1 LYS 70 -28.928 39.771 8.673 1295 HZ2 LYS 70 HZ2 LYS 70 -28.659 39.792 6.996 1296 HZ3 LYS 70 HZ3 LYS 70 -27.959 38.576 7.955 1297 H ALA 71 H ALA 71 -29.489 36.263 11.456 1298 HA ALA 71 HA ALA 71 -32.031 34.789 11.765 1299 HB1 ALA 71 HB1 ALA 71 -30.528 35.426 13.739 1300 HB2 ALA 71 HB2 ALA 71 -32.234 35.856 13.863 1301 HB3 ALA 71 HB3 ALA 71 -31.041 37.088 13.451 1302 H LYS 72 H LYS 72 -33.992 36.070 12.035 1303 HA LYS 72 HA LYS 72 -34.048 38.676 10.659 1304 HB2 LYS 72 HB2 LYS 72 -35.601 36.203 9.892 1305 HB3 LYS 72 HB3 LYS 72 -36.154 37.815 9.462 1306 HG2 LYS 72 HG2 LYS 72 -33.333 36.968 8.798 1307 HG3 LYS 72 HG3 LYS 72 -34.666 36.461 7.769 1308 HD2 LYS 72 HD2 LYS 72 -35.339 38.876 7.553 1309 HD3 LYS 72 HD3 LYS 72 -33.869 39.311 8.425 1310 HE2 LYS 72 HE2 LYS 72 -32.590 37.972 6.672 1311 HE3 LYS 72 HE3 LYS 72 -34.093 37.919 5.750 1312 HZ1 LYS 72 HZ1 LYS 72 -32.594 39.786 5.157 1313 HZ2 LYS 72 HZ2 LYS 72 -32.831 40.426 6.713 1314 HZ3 LYS 72 HZ3 LYS 72 -34.143 40.281 5.643 1315 H ARG 73 H ARG 73 -35.980 39.885 11.110 1316 HA ARG 73 HA ARG 73 -36.967 39.406 13.803 1317 HB2 ARG 73 HB2 ARG 73 -37.275 41.632 11.791 1318 HB3 ARG 73 HB3 ARG 73 -38.252 41.589 13.257 1319 HG2 ARG 73 HG2 ARG 73 -36.171 42.943 13.517 1320 HG3 ARG 73 HG3 ARG 73 -36.257 41.592 14.646 1321 HD2 ARG 73 HD2 ARG 73 -34.683 40.318 13.414 1322 HD3 ARG 73 HD3 ARG 73 -34.844 41.342 11.988 1323 HE ARG 73 HE ARG 73 -33.132 41.818 14.244 1324 HH11 ARG 73 HH21 ARG 73 -35.045 43.279 11.760 1325 HH12 ARG 73 HH22 ARG 73 -34.136 44.753 11.733 1326 HH21 ARG 73 HH11 ARG 73 -31.938 43.751 14.222 1327 HH22 ARG 73 HH12 ARG 73 -32.378 45.021 13.130 1328 H GLN 74 H GLN 74 -38.643 38.128 14.167 1329 HA GLN 74 HA GLN 74 -41.054 38.351 12.524 1330 HB2 GLN 74 HB2 GLN 74 -39.646 36.511 11.517 1331 HB3 GLN 74 HB3 GLN 74 -39.800 35.647 13.046 1332 HG2 GLN 74 HG2 GLN 74 -42.226 35.614 12.835 1333 HG3 GLN 74 HG3 GLN 74 -42.144 36.603 11.378 1334 HE21 GLN 74 HE21 GLN 74 -43.256 33.850 11.606 1335 HE22 GLN 74 HE22 GLN 74 -42.345 32.893 10.540 1336 H GLY 75 H GLY 75 -42.582 38.743 13.977 1337 HA2 GLY 75 HA2 GLY 75 -43.953 38.455 15.821 1338 HA3 GLY 75 HA3 GLY 75 -43.065 36.980 16.198 1339 H GLN 76 H GLN 76 -43.395 37.954 18.443 1340 HA GLN 76 HA GLN 76 -41.715 40.211 19.134 1341 HB2 GLN 76 HB2 GLN 76 -43.267 38.259 20.852 1342 HB3 GLN 76 HB3 GLN 76 -42.443 39.701 21.449 1343 HG2 GLN 76 HG2 GLN 76 -43.832 41.073 19.876 1344 HG3 GLN 76 HG3 GLN 76 -44.725 39.613 19.454 1345 HE21 GLN 76 HE21 GLN 76 -46.692 40.655 20.390 1346 HE22 GLN 76 HE22 GLN 76 -46.898 40.700 22.074 1347 H SER 77 H SER 77 -40.386 37.929 17.907 1348 HA SER 77 HA SER 77 -38.314 37.514 19.932 1349 HB2 SER 77 HB2 SER 77 -38.307 35.114 19.723 1350 HB3 SER 77 HB3 SER 77 -39.937 35.612 20.169 1351 HG SER 77 HG SER 77 -40.363 34.381 18.487 1352 H MET 78 H MET 78 -36.406 36.411 18.982 1353 HA MET 78 HA MET 78 -36.000 37.233 16.156 1354 HB2 MET 78 HB2 MET 78 -34.048 36.943 18.452 1355 HB3 MET 78 HB3 MET 78 -33.589 37.294 16.786 1356 HG2 MET 78 HG2 MET 78 -35.162 39.293 16.902 1357 HG3 MET 78 HG3 MET 78 -35.268 38.999 18.638 1358 HE1 MET 78 HE1 MET 78 -34.604 41.442 18.792 1359 HE2 MET 78 HE2 MET 78 -34.128 41.734 17.119 1360 HE3 MET 78 HE3 MET 78 -33.016 42.121 18.432 1361 H ILE 79 H ILE 79 -36.697 35.307 15.196 1362 HA ILE 79 HA ILE 79 -35.648 32.753 16.033 1363 HB ILE 79 HB ILE 79 -37.893 33.030 14.981 1364 HG12 ILE 79 HG12 ILE 79 -36.029 31.334 13.298 1365 HG13 ILE 79 HG13 ILE 79 -36.570 30.875 14.913 1366 HG21 ILE 79 HG21 ILE 79 -36.368 33.436 12.400 1367 HG22 ILE 79 HG22 ILE 79 -37.024 34.782 13.332 1368 HG23 ILE 79 HG23 ILE 79 -38.107 33.563 12.662 1369 HD11 ILE 79 HD11 ILE 79 -38.946 31.125 14.099 1370 HD12 ILE 79 HD12 ILE 79 -38.051 29.822 13.316 1371 HD13 ILE 79 HD13 ILE 79 -38.302 31.350 12.472 1372 H TYR 80 H TYR 80 -34.157 31.464 14.916 1373 HA TYR 80 HA TYR 80 -32.741 32.557 12.612 1374 HB2 TYR 80 HB2 TYR 80 -30.559 32.515 13.635 1375 HB3 TYR 80 HB3 TYR 80 -31.602 33.538 14.620 1376 HD1 TYR 80 HD2 TYR 80 -29.872 30.292 14.410 1377 HD2 TYR 80 HD1 TYR 80 -32.352 32.831 16.830 1378 HE1 TYR 80 HE2 TYR 80 -29.418 28.857 16.381 1379 HE2 TYR 80 HE1 TYR 80 -31.900 31.395 18.801 1380 HH TYR 80 HH TYR 80 -30.487 29.768 19.603 1381 H SER 81 H SER 81 -32.297 30.940 11.250 1382 HA SER 81 HA SER 81 -32.060 28.170 12.303 1383 HB2 SER 81 HB2 SER 81 -33.265 27.376 10.433 1384 HB3 SER 81 HB3 SER 81 -34.178 28.780 10.983 1385 HG SER 81 HG SER 81 -33.077 28.362 8.611 1386 H LEU 82 H LEU 82 -31.592 27.384 9.447 1387 HA LEU 82 HA LEU 82 -28.728 27.560 9.520 1388 HB2 LEU 82 HB2 LEU 82 -30.335 26.588 7.164 1389 HB3 LEU 82 HB3 LEU 82 -28.751 26.049 7.719 1390 HG LEU 82 HG LEU 82 -31.403 25.609 9.122 1391 HD11 LEU 82 HD11 LEU 82 -30.931 24.154 7.155 1392 HD12 LEU 82 HD12 LEU 82 -30.961 23.249 8.669 1393 HD13 LEU 82 HD13 LEU 82 -29.419 23.658 7.917 1394 HD21 LEU 82 HD21 LEU 82 -28.547 25.061 9.950 1395 HD22 LEU 82 HD22 LEU 82 -29.910 24.190 10.653 1396 HD23 LEU 82 HD23 LEU 82 -29.789 25.937 10.845 1397 H ASP 83 H ASP 83 -27.445 28.280 7.631 1398 HA ASP 83 HA ASP 83 -28.195 30.973 6.912 1399 HB2 ASP 83 HB2 ASP 83 -25.855 30.271 7.486 1400 HB3 ASP 83 HB3 ASP 83 -25.810 29.366 5.974 1401 H ASP 84 H ASP 84 -27.027 28.290 4.861 1402 HA ASP 84 HA ASP 84 -29.235 28.601 3.014 1403 HB2 ASP 84 HB2 ASP 84 -26.442 29.487 2.264 1404 HB3 ASP 84 HB3 ASP 84 -27.703 29.132 1.085 1405 H ILE 85 H ILE 85 -28.552 27.286 0.890 1406 HA ILE 85 HA ILE 85 -28.081 24.612 1.809 1407 HB ILE 85 HB ILE 85 -28.192 24.104 -0.688 1408 HG12 ILE 85 HG12 ILE 85 -29.021 27.010 -0.858 1409 HG13 ILE 85 HG13 ILE 85 -27.405 26.453 -1.294 1410 HG21 ILE 85 HG21 ILE 85 -30.617 24.614 -0.793 1411 HG22 ILE 85 HG22 ILE 85 -30.439 25.691 0.593 1412 HG23 ILE 85 HG23 ILE 85 -30.159 23.960 0.780 1413 HD11 ILE 85 HD11 ILE 85 -30.013 25.509 -2.523 1414 HD12 ILE 85 HD12 ILE 85 -28.418 24.870 -2.925 1415 HD13 ILE 85 HD13 ILE 85 -28.816 26.548 -3.295 1416 H HIS 86 H HIS 86 -25.878 25.520 2.689 1417 HA HIS 86 HA HIS 86 -23.805 24.490 0.898 1418 HB2 HIS 86 HB2 HIS 86 -23.701 27.272 2.092 1419 HB3 HIS 86 HB3 HIS 86 -22.350 26.457 1.305 1420 HD1 HIS 86 HD1 HIS 86 -24.637 28.938 0.500 1421 HD2 HIS 86 HD2 HIS 86 -23.542 25.420 -1.451 1422 HE1 HIS 86 HE1 HIS 86 -25.295 29.232 -1.926 1423 HE2 HIS 86 HE2 HIS 86 -24.623 27.102 -3.134 1424 H VAL 87 H VAL 87 -24.984 25.397 4.034 1425 HA VAL 87 HA VAL 87 -22.585 24.725 5.472 1426 HB VAL 87 HB VAL 87 -24.030 24.913 7.471 1427 HG11 VAL 87 HG11 VAL 87 -23.074 26.948 6.459 1428 HG12 VAL 87 HG12 VAL 87 -24.667 27.280 7.138 1429 HG13 VAL 87 HG13 VAL 87 -24.473 27.082 5.395 1430 HG21 VAL 87 HG21 VAL 87 -26.430 25.671 7.001 1431 HG22 VAL 87 HG22 VAL 87 -26.090 23.963 6.721 1432 HG23 VAL 87 HG23 VAL 87 -26.189 25.076 5.358 1433 H ALA 88 H ALA 88 -25.641 23.089 4.737 1434 HA ALA 88 HA ALA 88 -25.047 20.772 6.315 1435 HB1 ALA 88 HB1 ALA 88 -27.356 21.373 5.837 1436 HB2 ALA 88 HB2 ALA 88 -27.006 19.791 5.140 1437 HB3 ALA 88 HB3 ALA 88 -27.066 21.217 4.103 1438 H THR 89 H THR 89 -24.250 21.805 3.112 1439 HA THR 89 HA THR 89 -23.791 19.212 1.993 1440 HB THR 89 HB THR 89 -22.521 20.518 0.250 1441 HG1 THR 89 HG1 THR 89 -22.204 22.599 0.537 1442 HG21 THR 89 HG21 THR 89 -24.887 20.109 -0.061 1443 HG22 THR 89 HG22 THR 89 -24.560 21.782 -0.514 1444 HG23 THR 89 HG23 THR 89 -25.304 21.419 1.044 1445 H MET 90 H MET 90 -21.743 21.636 3.566 1446 HA MET 90 HA MET 90 -19.324 20.109 3.172 1447 HB2 MET 90 HB2 MET 90 -19.306 22.578 3.289 1448 HB3 MET 90 HB3 MET 90 -19.862 22.493 4.960 1449 HG2 MET 90 HG2 MET 90 -17.845 21.440 5.680 1450 HG3 MET 90 HG3 MET 90 -17.347 21.101 4.023 1451 HE1 MET 90 HE1 MET 90 -16.170 22.875 6.784 1452 HE2 MET 90 HE2 MET 90 -15.012 23.844 5.874 1453 HE3 MET 90 HE3 MET 90 -15.188 22.125 5.524 1454 H LEU 91 H LEU 91 -21.750 20.449 5.666 1455 HA LEU 91 HA LEU 91 -20.249 19.417 7.824 1456 HB2 LEU 91 HB2 LEU 91 -22.445 20.656 7.977 1457 HB3 LEU 91 HB3 LEU 91 -23.235 19.191 7.412 1458 HG LEU 91 HG LEU 91 -22.134 17.975 9.363 1459 HD11 LEU 91 HD11 LEU 91 -20.415 19.384 10.135 1460 HD12 LEU 91 HD12 LEU 91 -21.682 19.638 11.323 1461 HD13 LEU 91 HD13 LEU 91 -21.422 20.827 10.050 1462 HD21 LEU 91 HD21 LEU 91 -24.144 20.187 9.859 1463 HD22 LEU 91 HD22 LEU 91 -23.822 18.873 10.991 1464 HD23 LEU 91 HD23 LEU 91 -24.492 18.520 9.398 1465 H LYS 92 H LYS 92 -22.633 17.806 5.697 1466 HA LYS 92 HA LYS 92 -22.301 15.249 6.823 1467 HB2 LYS 92 HB2 LYS 92 -23.450 14.409 4.843 1468 HB3 LYS 92 HB3 LYS 92 -24.228 15.879 5.426 1469 HG2 LYS 92 HG2 LYS 92 -22.677 17.103 3.721 1470 HG3 LYS 92 HG3 LYS 92 -22.470 15.505 3.002 1471 HD2 LYS 92 HD2 LYS 92 -25.128 16.887 3.465 1472 HD3 LYS 92 HD3 LYS 92 -24.308 16.734 1.910 1473 HE2 LYS 92 HE2 LYS 92 -24.340 14.205 2.307 1474 HE3 LYS 92 HE3 LYS 92 -25.470 14.529 3.623 1475 HZ1 LYS 92 HZ1 LYS 92 -26.831 14.157 1.803 1476 HZ2 LYS 92 HZ2 LYS 92 -25.819 15.001 0.731 1477 HZ3 LYS 92 HZ3 LYS 92 -26.750 15.851 1.870 1478 H GLN 93 H GLN 93 -20.910 16.594 3.814 1479 HA GLN 93 HA GLN 93 -19.439 14.474 2.943 1480 HB2 GLN 93 HB2 GLN 93 -18.737 17.412 2.975 1481 HB3 GLN 93 HB3 GLN 93 -17.749 16.210 2.143 1482 HG2 GLN 93 HG2 GLN 93 -19.556 15.599 0.695 1483 HG3 GLN 93 HG3 GLN 93 -20.720 16.506 1.657 1484 HE21 GLN 93 HE21 GLN 93 -20.938 17.370 -0.799 1485 HE22 GLN 93 HE22 GLN 93 -20.042 18.774 -1.121 1486 H ALA 94 H ALA 94 -18.835 16.399 5.789 1487 HA ALA 94 HA ALA 94 -16.130 15.488 6.170 1488 HB1 ALA 94 HB1 ALA 94 -18.042 16.708 8.176 1489 HB2 ALA 94 HB2 ALA 94 -16.989 17.631 7.104 1490 HB3 ALA 94 HB3 ALA 94 -16.291 16.582 8.337 1491 H ILE 95 H ILE 95 -19.321 14.619 7.443 1492 HA ILE 95 HA ILE 95 -18.329 12.596 9.218 1493 HB ILE 95 HB ILE 95 -21.107 13.021 8.085 1494 HG12 ILE 95 HG12 ILE 95 -19.994 13.797 10.795 1495 HG13 ILE 95 HG13 ILE 95 -20.083 14.915 9.433 1496 HG21 ILE 95 HG21 ILE 95 -20.039 11.314 10.348 1497 HG22 ILE 95 HG22 ILE 95 -20.919 10.771 8.920 1498 HG23 ILE 95 HG23 ILE 95 -21.747 11.713 10.161 1499 HD11 ILE 95 HD11 ILE 95 -22.068 15.217 10.798 1500 HD12 ILE 95 HD12 ILE 95 -22.404 13.486 10.761 1501 HD13 ILE 95 HD13 ILE 95 -22.545 14.443 9.286 1502 H HIS 96 H HIS 96 -19.194 12.738 5.857 1503 HA HIS 96 HA HIS 96 -19.551 9.918 5.476 1504 HB2 HIS 96 HB2 HIS 96 -19.015 12.202 3.568 1505 HB3 HIS 96 HB3 HIS 96 -19.238 10.536 3.036 1506 HD1 HIS 96 HD1 HIS 96 -21.355 10.556 5.774 1507 HD2 HIS 96 HD2 HIS 96 -21.632 12.417 2.053 1508 HE1 HIS 96 HE1 HIS 96 -23.806 11.075 5.415 1509 HE2 HIS 96 HE2 HIS 96 -23.993 12.211 3.152 1510 H HIS 97 H HIS 97 -16.834 12.067 5.629 1511 HA HIS 97 HA HIS 97 -14.984 10.218 4.358 1512 HB2 HIS 97 HB2 HIS 97 -14.775 12.740 4.254 1513 HB3 HIS 97 HB3 HIS 97 -14.332 12.696 5.961 1514 HD1 HIS 97 HD1 HIS 97 -13.019 12.018 2.556 1515 HD2 HIS 97 HD2 HIS 97 -11.828 11.317 6.490 1516 HE1 HIS 97 HE1 HIS 97 -10.576 11.366 2.457 1517 HE2 HIS 97 HE2 HIS 97 -9.831 10.937 4.847 1518 H ALA 98 H ALA 98 -16.242 10.832 7.501 1519 HA ALA 98 HA ALA 98 -14.050 9.834 9.032 1520 HB1 ALA 98 HB1 ALA 98 -15.538 9.904 10.895 1521 HB2 ALA 98 HB2 ALA 98 -16.958 9.822 9.852 1522 HB3 ALA 98 HB3 ALA 98 -15.966 11.280 9.877 1523 H ASN 99 H ASN 99 -15.726 8.272 6.775 1524 HA ASN 99 HA ASN 99 -15.114 5.667 7.873 1525 HB2 ASN 99 HB2 ASN 99 -17.393 6.177 8.794 1526 HB3 ASN 99 HB3 ASN 99 -17.983 6.288 7.137 1527 HD21 ASN 99 HD21 ASN 99 -19.387 4.375 7.674 1528 HD22 ASN 99 HD22 ASN 99 -18.705 2.820 7.648 1529 H HIS 100 H HIS 100 -17.178 7.146 5.357 1530 HA HIS 100 HA HIS 100 -17.303 6.758 3.088 1531 HB2 HIS 100 HB2 HIS 100 -15.160 7.979 3.248 1532 HB3 HIS 100 HB3 HIS 100 -14.313 6.443 3.435 1533 HD1 HIS 100 HD1 HIS 100 -16.568 8.224 0.936 1534 HD2 HIS 100 HD2 HIS 100 -13.712 5.188 1.029 1535 HE1 HIS 100 HE1 HIS 100 -16.168 7.545 -1.469 1536 HE2 HIS 100 HE2 HIS 100 -14.428 5.696 -1.432 1537 HA PRO 101 HA PRO 101 -16.720 2.144 3.639 1538 HB2 PRO 101 HB2 PRO 101 -19.329 1.391 3.801 1539 HB3 PRO 101 HB3 PRO 101 -18.436 1.981 5.214 1540 HG2 PRO 101 HG2 PRO 101 -20.332 3.461 3.428 1541 HG3 PRO 101 HG3 PRO 101 -20.242 3.453 5.197 1542 HD2 PRO 101 HD2 PRO 101 -19.145 5.449 3.661 1543 HD3 PRO 101 HD3 PRO 101 -18.479 4.981 5.238 1544 H LYS 102 H LYS 102 -16.056 2.923 1.359 1545 HA LYS 102 HA LYS 102 -17.696 3.100 -0.835 1546 HB2 LYS 102 HB2 LYS 102 -15.785 2.148 -2.140 1547 HB3 LYS 102 HB3 LYS 102 -15.307 3.432 -1.031 1548 HG2 LYS 102 HG2 LYS 102 -14.661 1.700 0.642 1549 HG3 LYS 102 HG3 LYS 102 -15.052 0.449 -0.538 1550 HD2 LYS 102 HD2 LYS 102 -13.371 1.386 -2.086 1551 HD3 LYS 102 HD3 LYS 102 -12.977 2.632 -0.902 1552 HE2 LYS 102 HE2 LYS 102 -12.700 -0.357 -0.460 1553 HE3 LYS 102 HE3 LYS 102 -11.370 0.752 -0.795 1554 HZ1 LYS 102 HZ1 LYS 102 -12.141 2.018 1.217 1555 HZ2 LYS 102 HZ2 LYS 102 -11.446 0.500 1.525 1556 HZ3 LYS 102 HZ3 LYS 102 -13.132 0.689 1.583 1557 H GLU 103 H GLU 103 -17.222 0.374 1.179 1558 HA GLU 103 HA GLU 103 -17.748 -1.711 -0.666 1559 HB2 GLU 103 HB2 GLU 103 -18.264 -1.557 2.315 1560 HB3 GLU 103 HB3 GLU 103 -18.336 -3.034 1.353 1561 HG2 GLU 103 HG2 GLU 103 -16.146 -2.944 2.349 1562 HG3 GLU 103 HG3 GLU 103 -15.954 -2.572 0.638 Start of MODEL 15 1 H ASN 9 H ASN 9 -23.163 7.616 21.849 2 HA ASN 9 HA ASN 9 -21.813 7.350 19.231 3 HB2 ASN 9 HB2 ASN 9 -23.221 9.295 18.527 4 HB3 ASN 9 HB3 ASN 9 -24.151 7.816 18.759 5 HD21 ASN 9 HD21 ASN 9 -25.990 9.486 19.051 6 HD22 ASN 9 HD22 ASN 9 -26.219 10.121 20.608 7 H THR 10 H THR 10 -20.857 7.753 21.970 8 HA THR 10 HA THR 10 -20.212 10.604 22.150 9 HB THR 10 HB THR 10 -19.340 10.110 24.294 10 HG1 THR 10 HG1 THR 10 -19.052 7.864 24.890 11 HG21 THR 10 HG21 THR 10 -21.547 8.069 23.950 12 HG22 THR 10 HG22 THR 10 -21.853 9.806 23.960 13 HG23 THR 10 HG23 THR 10 -21.171 9.023 25.385 14 H ASP 11 H ASP 11 -18.865 7.653 20.981 15 HA ASP 11 HA ASP 11 -16.107 8.615 20.995 16 HB2 ASP 11 HB2 ASP 11 -15.711 6.430 19.782 17 HB3 ASP 11 HB3 ASP 11 -16.373 6.275 21.408 18 H THR 12 H THR 12 -18.259 7.328 18.451 19 HA THR 12 HA THR 12 -16.822 8.230 16.260 20 HB THR 12 HB THR 12 -18.600 6.722 15.847 21 HG1 THR 12 HG1 THR 12 -18.405 8.913 14.559 22 HG21 THR 12 HG21 THR 12 -20.993 7.423 16.342 23 HG22 THR 12 HG22 THR 12 -20.323 8.768 17.265 24 HG23 THR 12 HG23 THR 12 -19.995 7.108 17.763 25 H LEU 13 H LEU 13 -18.811 10.024 18.465 26 HA LEU 13 HA LEU 13 -19.262 12.271 16.753 27 HB2 LEU 13 HB2 LEU 13 -20.760 11.910 18.606 28 HB3 LEU 13 HB3 LEU 13 -19.426 11.924 19.755 29 HG LEU 13 HG LEU 13 -19.029 14.273 19.376 30 HD11 LEU 13 HD11 LEU 13 -19.351 14.592 17.053 31 HD12 LEU 13 HD12 LEU 13 -20.679 15.489 17.781 32 HD13 LEU 13 HD13 LEU 13 -20.970 13.893 17.092 33 HD21 LEU 13 HD21 LEU 13 -21.049 15.182 20.266 34 HD22 LEU 13 HD22 LEU 13 -20.989 13.512 20.832 35 HD23 LEU 13 HD23 LEU 13 -22.033 13.949 19.479 36 H GLU 14 H GLU 14 -17.065 11.739 19.538 37 HA GLU 14 HA GLU 14 -15.671 14.171 19.268 38 HB2 GLU 14 HB2 GLU 14 -14.852 11.513 20.457 39 HB3 GLU 14 HB3 GLU 14 -13.887 12.982 20.592 40 HG2 GLU 14 HG2 GLU 14 -16.790 12.891 21.429 41 HG3 GLU 14 HG3 GLU 14 -15.484 12.475 22.538 42 H ARG 15 H ARG 15 -15.698 11.439 17.275 43 HA ARG 15 HA ARG 15 -12.982 11.486 16.381 44 HB2 ARG 15 HB2 ARG 15 -14.536 9.528 16.146 45 HB3 ARG 15 HB3 ARG 15 -15.401 10.431 14.901 46 HG2 ARG 15 HG2 ARG 15 -13.383 10.564 13.538 47 HG3 ARG 15 HG3 ARG 15 -12.439 9.784 14.807 48 HD2 ARG 15 HD2 ARG 15 -13.082 8.173 13.043 49 HD3 ARG 15 HD3 ARG 15 -13.804 7.752 14.594 50 HE ARG 15 HE ARG 15 -15.582 9.394 13.103 51 HH11 ARG 15 HH21 ARG 15 -14.226 6.215 13.268 52 HH12 ARG 15 HH22 ARG 15 -15.585 5.445 12.519 53 HH21 ARG 15 HH11 ARG 15 -17.366 8.394 12.114 54 HH22 ARG 15 HH12 ARG 15 -17.365 6.679 11.868 55 H VAL 16 H VAL 16 -15.994 12.463 14.718 56 HA VAL 16 HA VAL 16 -14.857 13.676 12.516 57 HB VAL 16 HB VAL 16 -16.942 15.162 12.543 58 HG11 VAL 16 HG11 VAL 16 -16.811 12.984 11.369 59 HG12 VAL 16 HG12 VAL 16 -18.420 13.268 12.035 60 HG13 VAL 16 HG13 VAL 16 -17.309 12.167 12.851 61 HG21 VAL 16 HG21 VAL 16 -17.778 13.375 14.830 62 HG22 VAL 16 HG22 VAL 16 -18.587 14.814 14.211 63 HG23 VAL 16 HG23 VAL 16 -17.082 14.971 15.116 64 H THR 17 H THR 17 -14.743 14.698 15.783 65 HA THR 17 HA THR 17 -14.257 17.494 15.242 66 HB THR 17 HB THR 17 -13.600 15.934 17.751 67 HG1 THR 17 HG1 THR 17 -15.672 16.613 18.413 68 HG21 THR 17 HG21 THR 17 -13.884 18.164 18.803 69 HG22 THR 17 HG22 THR 17 -14.159 18.866 17.209 70 HG23 THR 17 HG23 THR 17 -12.589 18.167 17.605 71 H GLU 18 H GLU 18 -12.338 14.588 15.764 72 HA GLU 18 HA GLU 18 -9.817 15.839 16.040 73 HB2 GLU 18 HB2 GLU 18 -10.641 13.082 15.121 74 HB3 GLU 18 HB3 GLU 18 -8.953 13.569 15.267 75 HG2 GLU 18 HG2 GLU 18 -9.380 14.188 17.649 76 HG3 GLU 18 HG3 GLU 18 -11.025 13.574 17.482 77 H ILE 19 H ILE 19 -11.863 15.352 13.312 78 HA ILE 19 HA ILE 19 -9.904 15.306 11.260 79 HB ILE 19 HB ILE 19 -12.710 16.439 11.115 80 HG12 ILE 19 HG12 ILE 19 -11.704 13.630 10.558 81 HG13 ILE 19 HG13 ILE 19 -12.608 14.103 11.996 82 HG21 ILE 19 HG21 ILE 19 -12.489 15.866 8.714 83 HG22 ILE 19 HG22 ILE 19 -10.834 15.332 9.000 84 HG23 ILE 19 HG23 ILE 19 -11.261 17.030 9.202 85 HD11 ILE 19 HD11 ILE 19 -13.579 14.278 9.128 86 HD12 ILE 19 HD12 ILE 19 -14.478 14.860 10.529 87 HD13 ILE 19 HD13 ILE 19 -14.138 13.137 10.350 88 H PHE 20 H PHE 20 -12.056 18.043 12.037 89 HA PHE 20 HA PHE 20 -10.822 20.061 10.723 90 HB2 PHE 20 HB2 PHE 20 -11.970 20.173 13.522 91 HB3 PHE 20 HB3 PHE 20 -11.613 21.587 12.530 92 HD1 PHE 20 HD1 PHE 20 -12.804 21.903 10.340 93 HD2 PHE 20 HD2 PHE 20 -13.923 18.846 13.141 94 HE1 PHE 20 HE1 PHE 20 -14.988 21.651 9.192 95 HE2 PHE 20 HE2 PHE 20 -16.107 18.593 11.993 96 HZ PHE 20 HZ PHE 20 -16.640 19.998 10.020 97 H LYS 21 H LYS 21 -10.023 19.238 14.109 98 HA LYS 21 HA LYS 21 -7.946 20.939 14.575 99 HB2 LYS 21 HB2 LYS 21 -8.877 19.232 16.172 100 HB3 LYS 21 HB3 LYS 21 -7.895 18.017 15.354 101 HG2 LYS 21 HG2 LYS 21 -5.855 19.229 15.908 102 HG3 LYS 21 HG3 LYS 21 -6.792 20.545 16.614 103 HD2 LYS 21 HD2 LYS 21 -7.580 19.145 18.394 104 HD3 LYS 21 HD3 LYS 21 -6.963 17.691 17.609 105 HE2 LYS 21 HE2 LYS 21 -5.541 18.624 19.522 106 HE3 LYS 21 HE3 LYS 21 -4.696 18.323 18.004 107 HZ1 LYS 21 HZ1 LYS 21 -4.299 20.483 17.717 108 HZ2 LYS 21 HZ2 LYS 21 -4.689 20.661 19.360 109 HZ3 LYS 21 HZ3 LYS 21 -5.869 20.941 18.171 110 H ALA 22 H ALA 22 -7.903 18.068 12.558 111 HA ALA 22 HA ALA 22 -5.071 17.909 12.275 112 HB1 ALA 22 HB1 ALA 22 -5.486 16.252 10.640 113 HB2 ALA 22 HB2 ALA 22 -7.075 16.912 10.253 114 HB3 ALA 22 HB3 ALA 22 -6.813 16.088 11.790 115 H LEU 23 H LEU 23 -7.585 19.711 10.634 116 HA LEU 23 HA LEU 23 -5.876 20.502 8.426 117 HB2 LEU 23 HB2 LEU 23 -8.658 21.242 9.321 118 HB3 LEU 23 HB3 LEU 23 -7.864 22.115 8.018 119 HG LEU 23 HG LEU 23 -9.351 20.217 7.278 120 HD11 LEU 23 HD11 LEU 23 -7.193 21.104 6.041 121 HD12 LEU 23 HD12 LEU 23 -8.016 19.656 5.477 122 HD13 LEU 23 HD13 LEU 23 -6.551 19.512 6.439 123 HD21 LEU 23 HD21 LEU 23 -8.739 17.959 7.677 124 HD22 LEU 23 HD22 LEU 23 -8.630 18.760 9.243 125 HD23 LEU 23 HD23 LEU 23 -7.164 18.418 8.322 126 H GLY 24 H GLY 24 -6.069 21.366 11.637 127 HA2 GLY 24 HA2 GLY 24 -5.970 24.145 11.679 128 HA3 GLY 24 HA3 GLY 24 -5.160 23.099 12.841 129 H ASP 25 H ASP 25 -3.294 21.828 11.268 130 HA ASP 25 HA ASP 25 -1.127 23.502 11.260 131 HB2 ASP 25 HB2 ASP 25 -0.116 21.916 9.584 132 HB3 ASP 25 HB3 ASP 25 -0.810 21.138 11.005 133 H TYR 26 H TYR 26 -1.649 25.538 10.456 134 HA TYR 26 HA TYR 26 -2.846 26.274 8.114 135 HB2 TYR 26 HB2 TYR 26 -2.009 27.820 9.885 136 HB3 TYR 26 HB3 TYR 26 -0.373 27.579 9.274 137 HD1 TYR 26 HD2 TYR 26 0.171 28.229 6.896 138 HD2 TYR 26 HD1 TYR 26 -3.526 29.304 8.798 139 HE1 TYR 26 HE2 TYR 26 -0.194 29.991 5.189 140 HE2 TYR 26 HE1 TYR 26 -3.888 31.070 7.096 141 HH TYR 26 HH TYR 26 -1.534 32.239 5.129 142 H ASN 27 H ASN 27 0.703 26.166 8.413 143 HA ASN 27 HA ASN 27 1.468 26.522 5.861 144 HB2 ASN 27 HB2 ASN 27 3.429 25.075 6.325 145 HB3 ASN 27 HB3 ASN 27 3.071 26.175 7.656 146 HD21 ASN 27 HD21 ASN 27 4.515 23.670 7.988 147 HD22 ASN 27 HD22 ASN 27 3.561 22.659 8.961 148 H ARG 28 H ARG 28 0.006 23.577 7.113 149 HA ARG 28 HA ARG 28 0.657 21.950 4.874 150 HB2 ARG 28 HB2 ARG 28 -0.196 21.356 7.311 151 HB3 ARG 28 HB3 ARG 28 -1.784 21.433 6.562 152 HG2 ARG 28 HG2 ARG 28 0.510 19.720 5.548 153 HG3 ARG 28 HG3 ARG 28 -0.793 19.135 6.578 154 HD2 ARG 28 HD2 ARG 28 -2.392 20.045 4.772 155 HD3 ARG 28 HD3 ARG 28 -0.966 20.139 3.740 156 HE ARG 28 HE ARG 28 -0.912 17.585 4.738 157 HH11 ARG 28 HH21 ARG 28 -3.216 19.556 3.068 158 HH12 ARG 28 HH22 ARG 28 -3.927 18.232 2.206 159 HH21 ARG 28 HH11 ARG 28 -1.838 15.848 3.607 160 HH22 ARG 28 HH12 ARG 28 -3.149 16.135 2.512 161 H ILE 29 H ILE 29 -2.339 23.636 5.805 162 HA ILE 29 HA ILE 29 -4.029 22.979 3.781 163 HB ILE 29 HB ILE 29 -3.618 25.784 4.840 164 HG12 ILE 29 HG12 ILE 29 -5.485 23.600 5.808 165 HG13 ILE 29 HG13 ILE 29 -3.942 23.977 6.573 166 HG21 ILE 29 HG21 ILE 29 -6.074 25.959 4.295 167 HG22 ILE 29 HG22 ILE 29 -5.948 24.403 3.477 168 HG23 ILE 29 HG23 ILE 29 -5.041 25.792 2.877 169 HD11 ILE 29 HD11 ILE 29 -5.606 25.188 7.795 170 HD12 ILE 29 HD12 ILE 29 -6.366 25.768 6.313 171 HD13 ILE 29 HD13 ILE 29 -4.779 26.376 6.787 172 H ARG 30 H ARG 30 -1.253 25.170 3.533 173 HA ARG 30 HA ARG 30 -1.907 26.155 0.940 174 HB2 ARG 30 HB2 ARG 30 -0.372 27.352 2.433 175 HB3 ARG 30 HB3 ARG 30 0.759 26.001 2.371 176 HG2 ARG 30 HG2 ARG 30 1.206 26.351 0.055 177 HG3 ARG 30 HG3 ARG 30 -0.174 27.436 -0.123 178 HD2 ARG 30 HD2 ARG 30 2.152 28.526 0.049 179 HD3 ARG 30 HD3 ARG 30 0.890 29.166 1.096 180 HE ARG 30 HE ARG 30 2.468 27.067 2.314 181 HH11 ARG 30 HH21 ARG 30 2.171 30.446 1.627 182 HH12 ARG 30 HH22 ARG 30 3.119 30.947 2.987 183 HH21 ARG 30 HH11 ARG 30 3.719 27.715 4.095 184 HH22 ARG 30 HH12 ARG 30 3.992 29.401 4.387 185 H ILE 31 H ILE 31 -0.144 23.368 2.141 186 HA ILE 31 HA ILE 31 1.009 22.635 -0.383 187 HB ILE 31 HB ILE 31 0.450 20.892 2.029 188 HG12 ILE 31 HG12 ILE 31 2.964 22.423 1.295 189 HG13 ILE 31 HG13 ILE 31 1.807 22.949 2.518 190 HG21 ILE 31 HG21 ILE 31 2.325 19.553 1.093 191 HG22 ILE 31 HG22 ILE 31 2.378 20.632 -0.301 192 HG23 ILE 31 HG23 ILE 31 0.955 19.630 -0.014 193 HD11 ILE 31 HD11 ILE 31 3.507 21.787 3.718 194 HD12 ILE 31 HD12 ILE 31 3.542 20.473 2.541 195 HD13 ILE 31 HD13 ILE 31 2.157 20.658 3.617 196 H MET 32 H MET 32 -2.025 22.061 1.256 197 HA MET 32 HA MET 32 -2.951 19.884 -0.298 198 HB2 MET 32 HB2 MET 32 -3.997 20.632 1.834 199 HB3 MET 32 HB3 MET 32 -4.579 22.077 1.011 200 HG2 MET 32 HG2 MET 32 -6.032 20.837 -0.387 201 HG3 MET 32 HG3 MET 32 -5.211 19.315 -0.038 202 HE1 MET 32 HE1 MET 32 -7.953 21.786 2.618 203 HE2 MET 32 HE2 MET 32 -6.899 22.303 1.301 204 HE3 MET 32 HE3 MET 32 -6.227 22.012 2.905 205 H GLU 33 H GLU 33 -2.882 23.343 -0.818 206 HA GLU 33 HA GLU 33 -4.679 23.429 -3.025 207 HB2 GLU 33 HB2 GLU 33 -2.399 25.276 -2.271 208 HB3 GLU 33 HB3 GLU 33 -3.621 25.626 -3.494 209 HG2 GLU 33 HG2 GLU 33 -5.366 25.243 -1.676 210 HG3 GLU 33 HG3 GLU 33 -4.034 25.246 -0.521 211 H LEU 34 H LEU 34 -1.266 22.710 -2.684 212 HA LEU 34 HA LEU 34 -0.617 22.922 -5.454 213 HB2 LEU 34 HB2 LEU 34 1.159 23.065 -3.846 214 HB3 LEU 34 HB3 LEU 34 0.727 21.512 -3.140 215 HG LEU 34 HG LEU 34 1.442 20.327 -5.110 216 HD11 LEU 34 HD11 LEU 34 2.486 21.733 -7.014 217 HD12 LEU 34 HD12 LEU 34 1.605 23.092 -6.316 218 HD13 LEU 34 HD13 LEU 34 0.728 21.687 -6.918 219 HD21 LEU 34 HD21 LEU 34 3.498 22.494 -4.624 220 HD22 LEU 34 HD22 LEU 34 3.790 20.815 -5.078 221 HD23 LEU 34 HD23 LEU 34 3.176 21.199 -3.471 222 H LEU 35 H LEU 35 -1.014 20.050 -3.359 223 HA LEU 35 HA LEU 35 -0.889 18.104 -5.332 224 HB2 LEU 35 HB2 LEU 35 -2.742 17.964 -2.951 225 HB3 LEU 35 HB3 LEU 35 -1.967 16.625 -3.794 226 HG LEU 35 HG LEU 35 -0.577 18.769 -2.161 227 HD11 LEU 35 HD11 LEU 35 -1.758 17.013 -0.863 228 HD12 LEU 35 HD12 LEU 35 -0.007 16.901 -0.679 229 HD13 LEU 35 HD13 LEU 35 -0.856 15.779 -1.742 230 HD21 LEU 35 HD21 LEU 35 0.468 16.566 -3.945 231 HD22 LEU 35 HD22 LEU 35 1.427 17.178 -2.597 232 HD23 LEU 35 HD23 LEU 35 0.946 18.264 -3.897 233 H SER 36 H SER 36 -3.445 20.352 -4.644 234 HA SER 36 HA SER 36 -5.594 18.939 -5.839 235 HB2 SER 36 HB2 SER 36 -5.926 20.912 -4.395 236 HB3 SER 36 HB3 SER 36 -5.155 21.928 -5.613 237 HG SER 36 HG SER 36 -7.642 20.649 -5.649 238 H VAL 37 H VAL 37 -3.494 21.521 -7.133 239 HA VAL 37 HA VAL 37 -4.493 21.512 -9.748 240 HB VAL 37 HB VAL 37 -1.660 22.089 -8.843 241 HG11 VAL 37 HG11 VAL 37 -3.236 22.790 -11.334 242 HG12 VAL 37 HG12 VAL 37 -1.736 21.868 -11.240 243 HG13 VAL 37 HG13 VAL 37 -1.734 23.595 -10.883 244 HG21 VAL 37 HG21 VAL 37 -3.449 23.375 -7.643 245 HG22 VAL 37 HG22 VAL 37 -4.016 23.966 -9.205 246 HG23 VAL 37 HG23 VAL 37 -2.404 24.397 -8.630 247 H SER 38 H SER 38 -2.017 19.519 -8.213 248 HA SER 38 HA SER 38 -2.362 17.354 -9.983 249 HB2 SER 38 HB2 SER 38 -1.302 18.610 -11.702 250 HB3 SER 38 HB3 SER 38 -0.068 19.217 -10.598 251 HG SER 38 HG SER 38 0.965 17.581 -11.500 252 H GLU 39 H GLU 39 -1.205 15.545 -9.333 253 HA GLU 39 HA GLU 39 -0.408 15.363 -6.674 254 HB2 GLU 39 HB2 GLU 39 0.654 13.213 -7.319 255 HB3 GLU 39 HB3 GLU 39 -0.967 13.387 -7.990 256 HG2 GLU 39 HG2 GLU 39 0.120 14.282 -10.101 257 HG3 GLU 39 HG3 GLU 39 1.670 13.792 -9.420 258 H ALA 40 H ALA 40 1.753 14.915 -5.788 259 HA ALA 40 HA ALA 40 4.063 15.867 -7.272 260 HB1 ALA 40 HB1 ALA 40 2.864 17.426 -4.980 261 HB2 ALA 40 HB2 ALA 40 3.266 18.005 -6.595 262 HB3 ALA 40 HB3 ALA 40 4.552 17.595 -5.461 263 H SER 41 H SER 41 6.033 15.359 -6.273 264 HA SER 41 HA SER 41 5.868 13.205 -4.309 265 HB2 SER 41 HB2 SER 41 7.317 12.931 -6.270 266 HB3 SER 41 HB3 SER 41 8.228 14.367 -5.808 267 HG SER 41 HG SER 41 8.500 11.851 -4.946 268 H VAL 42 H VAL 42 7.373 13.181 -2.469 269 HA VAL 42 HA VAL 42 6.997 15.244 -0.693 270 HB VAL 42 HB VAL 42 9.452 13.478 -0.744 271 HG11 VAL 42 HG11 VAL 42 9.270 13.720 1.716 272 HG12 VAL 42 HG12 VAL 42 7.888 14.793 1.499 273 HG13 VAL 42 HG13 VAL 42 9.484 15.282 0.927 274 HG21 VAL 42 HG21 VAL 42 7.974 11.986 0.709 275 HG22 VAL 42 HG22 VAL 42 7.579 12.012 -1.009 276 HG23 VAL 42 HG23 VAL 42 6.607 12.938 0.134 277 H GLY 43 H GLY 43 9.881 14.710 -2.723 278 HA2 GLY 43 HA2 GLY 43 11.380 16.893 -1.838 279 HA3 GLY 43 HA3 GLY 43 11.532 16.150 -3.426 280 H HIS 44 H HIS 44 9.070 16.690 -4.530 281 HA HIS 44 HA HIS 44 9.395 19.205 -5.626 282 HB2 HIS 44 HB2 HIS 44 6.892 17.541 -5.322 283 HB3 HIS 44 HB3 HIS 44 6.966 19.011 -6.293 284 HD1 HIS 44 HD1 HIS 44 10.171 17.383 -6.457 285 HD2 HIS 44 HD2 HIS 44 6.525 16.867 -8.412 286 HE1 HIS 44 HE1 HIS 44 10.666 16.054 -8.553 287 HE2 HIS 44 HE2 HIS 44 8.453 15.724 -9.755 288 H ILE 45 H ILE 45 7.767 18.314 -2.653 289 HA ILE 45 HA ILE 45 6.313 20.723 -2.282 290 HB ILE 45 HB ILE 45 7.413 18.984 -0.074 291 HG12 ILE 45 HG12 ILE 45 6.389 17.459 -1.627 292 HG13 ILE 45 HG13 ILE 45 5.237 17.724 -0.322 293 HG21 ILE 45 HG21 ILE 45 4.851 20.585 -0.330 294 HG22 ILE 45 HG22 ILE 45 6.295 21.132 0.523 295 HG23 ILE 45 HG23 ILE 45 5.408 19.723 1.104 296 HD11 ILE 45 HD11 ILE 45 5.182 18.847 -3.124 297 HD12 ILE 45 HD12 ILE 45 4.251 19.585 -1.821 298 HD13 ILE 45 HD13 ILE 45 3.937 17.915 -2.291 299 H SER 46 H SER 46 9.648 19.843 -1.729 300 HA SER 46 HA SER 46 10.429 21.718 0.153 301 HB2 SER 46 HB2 SER 46 12.031 20.899 -2.281 302 HB3 SER 46 HB3 SER 46 12.664 21.508 -0.753 303 HG SER 46 HG SER 46 12.563 19.560 -0.022 304 H HIS 47 H HIS 47 10.766 22.140 -3.380 305 HA HIS 47 HA HIS 47 11.491 24.821 -3.327 306 HB2 HIS 47 HB2 HIS 47 11.682 23.413 -5.328 307 HB3 HIS 47 HB3 HIS 47 9.925 23.357 -5.465 308 HD1 HIS 47 HD1 HIS 47 9.289 24.863 -7.351 309 HD2 HIS 47 HD2 HIS 47 12.276 26.551 -4.980 310 HE1 HIS 47 HE1 HIS 47 9.725 27.174 -8.286 311 HE2 HIS 47 HE2 HIS 47 11.543 28.217 -6.853 312 H GLN 48 H GLN 48 8.413 23.427 -2.711 313 HA GLN 48 HA GLN 48 6.806 25.628 -3.543 314 HB2 GLN 48 HB2 GLN 48 6.071 23.202 -3.100 315 HB3 GLN 48 HB3 GLN 48 6.034 23.652 -1.397 316 HG2 GLN 48 HG2 GLN 48 3.819 24.003 -2.217 317 HG3 GLN 48 HG3 GLN 48 4.543 25.602 -2.069 318 HE21 GLN 48 HE21 GLN 48 6.022 24.080 -4.681 319 HE22 GLN 48 HE22 GLN 48 5.042 24.694 -5.923 320 H LEU 49 H LEU 49 8.687 25.003 -0.696 321 HA LEU 49 HA LEU 49 8.137 27.643 0.312 322 HB2 LEU 49 HB2 LEU 49 6.201 26.061 1.054 323 HB3 LEU 49 HB3 LEU 49 7.385 25.390 2.163 324 HG LEU 49 HG LEU 49 7.797 27.920 2.816 325 HD11 LEU 49 HD11 LEU 49 5.015 27.994 1.607 326 HD12 LEU 49 HD12 LEU 49 6.404 28.966 1.117 327 HD13 LEU 49 HD13 LEU 49 5.661 29.222 2.692 328 HD21 LEU 49 HD21 LEU 49 5.327 26.363 3.626 329 HD22 LEU 49 HD22 LEU 49 5.951 27.763 4.496 330 HD23 LEU 49 HD23 LEU 49 6.917 26.292 4.387 331 H ASN 50 H ASN 50 10.364 25.741 -0.454 332 HA ASN 50 HA ASN 50 12.434 25.059 0.316 333 HB2 ASN 50 HB2 ASN 50 12.121 27.700 1.764 334 HB3 ASN 50 HB3 ASN 50 13.647 26.859 1.496 335 HD21 ASN 50 HD21 ASN 50 10.870 28.258 -0.322 336 HD22 ASN 50 HD22 ASN 50 11.784 28.657 -1.695 337 H LEU 51 H LEU 51 11.924 23.226 1.538 338 HA LEU 51 HA LEU 51 12.334 23.520 4.410 339 HB2 LEU 51 HB2 LEU 51 9.770 23.602 3.612 340 HB3 LEU 51 HB3 LEU 51 9.964 21.859 3.603 341 HG LEU 51 HG LEU 51 10.986 22.235 6.008 342 HD11 LEU 51 HD11 LEU 51 9.866 24.144 7.171 343 HD12 LEU 51 HD12 LEU 51 9.338 24.748 5.602 344 HD13 LEU 51 HD13 LEU 51 11.058 24.667 5.984 345 HD21 LEU 51 HD21 LEU 51 8.650 22.176 6.974 346 HD22 LEU 51 HD22 LEU 51 8.951 20.985 5.707 347 HD23 LEU 51 HD23 LEU 51 8.041 22.452 5.343 348 H SER 52 H SER 52 12.384 21.279 5.452 349 HA SER 52 HA SER 52 14.130 19.598 3.846 350 HB2 SER 52 HB2 SER 52 14.710 20.034 6.181 351 HB3 SER 52 HB3 SER 52 13.175 19.348 6.710 352 HG SER 52 HG SER 52 15.172 17.977 5.233 353 H GLN 53 H GLN 53 13.760 17.390 3.406 354 HA GLN 53 HA GLN 53 11.047 16.750 2.748 355 HB2 GLN 53 HB2 GLN 53 13.495 14.966 2.730 356 HB3 GLN 53 HB3 GLN 53 11.968 14.654 1.905 357 HG2 GLN 53 HG2 GLN 53 12.286 16.728 0.577 358 HG3 GLN 53 HG3 GLN 53 13.838 16.981 1.372 359 HE21 GLN 53 HE21 GLN 53 15.643 15.793 0.592 360 HE22 GLN 53 HE22 GLN 53 15.541 14.671 -0.679 361 H SER 54 H SER 54 13.403 15.345 5.031 362 HA SER 54 HA SER 54 11.912 13.344 6.156 363 HB2 SER 54 HB2 SER 54 13.607 15.247 7.784 364 HB3 SER 54 HB3 SER 54 13.277 13.548 8.116 365 HG SER 54 HG SER 54 14.393 14.205 5.650 366 H ASN 55 H ASN 55 11.651 16.808 6.755 367 HA ASN 55 HA ASN 55 9.884 16.622 8.977 368 HB2 ASN 55 HB2 ASN 55 10.471 18.836 7.008 369 HB3 ASN 55 HB3 ASN 55 9.363 19.029 8.365 370 HD21 ASN 55 HD21 ASN 55 11.891 16.842 9.111 371 HD22 ASN 55 HD22 ASN 55 12.883 17.923 9.966 372 H VAL 56 H VAL 56 9.359 17.080 5.491 373 HA VAL 56 HA VAL 56 6.522 17.287 5.688 374 HB VAL 56 HB VAL 56 8.325 16.604 3.355 375 HG11 VAL 56 HG11 VAL 56 6.170 15.753 2.788 376 HG12 VAL 56 HG12 VAL 56 6.252 17.346 2.039 377 HG13 VAL 56 HG13 VAL 56 5.351 17.122 3.538 378 HG21 VAL 56 HG21 VAL 56 8.604 18.863 4.365 379 HG22 VAL 56 HG22 VAL 56 6.882 19.156 4.131 380 HG23 VAL 56 HG23 VAL 56 7.937 18.943 2.734 381 H SER 57 H SER 57 8.764 14.611 5.127 382 HA SER 57 HA SER 57 6.837 12.651 4.462 383 HB2 SER 57 HB2 SER 57 8.566 11.088 4.698 384 HB3 SER 57 HB3 SER 57 9.435 12.570 4.305 385 HG SER 57 HG SER 57 9.347 11.123 6.651 386 H HIS 58 H HIS 58 8.282 13.611 7.561 387 HA HIS 58 HA HIS 58 7.009 11.693 9.179 388 HB2 HIS 58 HB2 HIS 58 7.924 14.502 9.842 389 HB3 HIS 58 HB3 HIS 58 7.455 13.291 11.035 390 HD1 HIS 58 HD1 HIS 58 8.929 11.233 8.681 391 HD2 HIS 58 HD2 HIS 58 10.557 14.065 11.270 392 HE1 HIS 58 HE1 HIS 58 11.378 10.648 8.931 393 HE2 HIS 58 HE2 HIS 58 12.387 12.364 10.507 394 H GLN 59 H GLN 59 6.075 15.069 8.481 395 HA GLN 59 HA GLN 59 3.725 15.183 9.941 396 HB2 GLN 59 HB2 GLN 59 4.784 17.088 8.708 397 HB3 GLN 59 HB3 GLN 59 4.148 16.412 7.208 398 HG2 GLN 59 HG2 GLN 59 1.863 16.622 8.033 399 HG3 GLN 59 HG3 GLN 59 2.449 17.176 9.600 400 HE21 GLN 59 HE21 GLN 59 3.226 18.089 6.188 401 HE22 GLN 59 HE22 GLN 59 3.020 19.755 6.442 402 H LEU 60 H LEU 60 3.952 14.431 6.456 403 HA LEU 60 HA LEU 60 1.364 13.784 5.913 404 HB2 LEU 60 HB2 LEU 60 3.901 12.465 4.951 405 HB3 LEU 60 HB3 LEU 60 2.326 12.073 4.275 406 HG LEU 60 HG LEU 60 3.223 14.955 4.437 407 HD11 LEU 60 HD11 LEU 60 5.047 13.756 3.305 408 HD12 LEU 60 HD12 LEU 60 4.146 14.749 2.160 409 HD13 LEU 60 HD13 LEU 60 3.885 13.006 2.212 410 HD21 LEU 60 HD21 LEU 60 0.911 14.636 3.800 411 HD22 LEU 60 HD22 LEU 60 1.350 13.392 2.629 412 HD23 LEU 60 HD23 LEU 60 1.809 15.069 2.350 413 H LYS 61 H LYS 61 3.557 11.969 7.918 414 HA LYS 61 HA LYS 61 2.147 9.489 7.795 415 HB2 LYS 61 HB2 LYS 61 4.559 9.909 8.605 416 HB3 LYS 61 HB3 LYS 61 3.827 10.393 10.135 417 HG2 LYS 61 HG2 LYS 61 2.580 8.164 10.084 418 HG3 LYS 61 HG3 LYS 61 3.658 7.702 8.769 419 HD2 LYS 61 HD2 LYS 61 5.608 8.209 10.252 420 HD3 LYS 61 HD3 LYS 61 4.479 8.518 11.572 421 HE2 LYS 61 HE2 LYS 61 3.571 6.194 11.244 422 HE3 LYS 61 HE3 LYS 61 4.862 5.909 10.078 423 HZ1 LYS 61 HZ1 LYS 61 6.420 5.819 11.682 424 HZ2 LYS 61 HZ2 LYS 61 5.102 5.387 12.662 425 HZ3 LYS 61 HZ3 LYS 61 5.667 6.988 12.654 426 H LEU 62 H LEU 62 2.030 12.288 9.963 427 HA LEU 62 HA LEU 62 0.245 11.204 11.864 428 HB2 LEU 62 HB2 LEU 62 0.913 14.017 11.005 429 HB3 LEU 62 HB3 LEU 62 -0.321 13.710 12.225 430 HG LEU 62 HG LEU 62 1.315 12.478 13.587 431 HD11 LEU 62 HD11 LEU 62 2.816 11.540 12.013 432 HD12 LEU 62 HD12 LEU 62 3.774 12.759 12.849 433 HD13 LEU 62 HD13 LEU 62 3.121 13.100 11.246 434 HD21 LEU 62 HD21 LEU 62 2.120 15.251 12.676 435 HD22 LEU 62 HD22 LEU 62 2.840 14.450 14.071 436 HD23 LEU 62 HD23 LEU 62 1.118 14.827 14.063 437 H LEU 63 H LEU 63 -0.230 12.622 8.703 438 HA LEU 63 HA LEU 63 -3.094 12.900 8.993 439 HB2 LEU 63 HB2 LEU 63 -1.163 13.160 6.690 440 HB3 LEU 63 HB3 LEU 63 -2.906 13.225 6.437 441 HG LEU 63 HG LEU 63 -3.108 15.116 7.948 442 HD11 LEU 63 HD11 LEU 63 -0.887 16.139 8.791 443 HD12 LEU 63 HD12 LEU 63 -0.184 14.556 8.462 444 HD13 LEU 63 HD13 LEU 63 -1.494 14.716 9.632 445 HD21 LEU 63 HD21 LEU 63 -1.729 16.774 6.694 446 HD22 LEU 63 HD22 LEU 63 -2.551 15.634 5.627 447 HD23 LEU 63 HD23 LEU 63 -0.831 15.439 5.969 448 H LYS 64 H LYS 64 -0.844 10.500 7.803 449 HA LYS 64 HA LYS 64 -2.699 8.887 6.384 450 HB2 LYS 64 HB2 LYS 64 -0.135 8.811 6.318 451 HB3 LYS 64 HB3 LYS 64 -0.236 7.868 7.805 452 HG2 LYS 64 HG2 LYS 64 -1.867 6.343 6.540 453 HG3 LYS 64 HG3 LYS 64 -1.334 7.167 5.076 454 HD2 LYS 64 HD2 LYS 64 0.482 5.730 7.039 455 HD3 LYS 64 HD3 LYS 64 -0.033 5.096 5.476 456 HE2 LYS 64 HE2 LYS 64 0.968 7.249 4.470 457 HE3 LYS 64 HE3 LYS 64 1.757 7.466 6.033 458 HZ1 LYS 64 HZ1 LYS 64 2.903 6.133 4.119 459 HZ2 LYS 64 HZ2 LYS 64 1.956 4.857 4.719 460 HZ3 LYS 64 HZ3 LYS 64 3.064 5.645 5.738 461 H SER 65 H SER 65 -2.068 9.370 9.738 462 HA SER 65 HA SER 65 -3.061 6.854 10.674 463 HB2 SER 65 HB2 SER 65 -2.581 9.512 12.027 464 HB3 SER 65 HB3 SER 65 -3.187 8.096 12.884 465 HG SER 65 HG SER 65 -1.302 6.988 11.997 466 H VAL 66 H VAL 66 -4.469 10.135 10.525 467 HA VAL 66 HA VAL 66 -7.005 9.227 11.510 468 HB VAL 66 HB VAL 66 -5.957 11.553 11.750 469 HG11 VAL 66 HG11 VAL 66 -5.620 11.686 9.183 470 HG12 VAL 66 HG12 VAL 66 -6.179 13.129 10.027 471 HG13 VAL 66 HG13 VAL 66 -7.324 12.134 9.130 472 HG21 VAL 66 HG21 VAL 66 -8.829 11.429 10.788 473 HG22 VAL 66 HG22 VAL 66 -8.125 12.628 11.870 474 HG23 VAL 66 HG23 VAL 66 -8.295 10.958 12.402 475 H HIS 67 H HIS 67 -5.987 7.878 9.151 476 HA HIS 67 HA HIS 67 -6.794 6.954 7.229 477 HB2 HIS 67 HB2 HIS 67 -9.416 8.109 8.200 478 HB3 HIS 67 HB3 HIS 67 -9.218 6.814 7.021 479 HD1 HIS 67 HD1 HIS 67 -8.065 7.519 10.601 480 HD2 HIS 67 HD2 HIS 67 -9.297 4.332 8.210 481 HE1 HIS 67 HE1 HIS 67 -8.062 5.469 12.084 482 HE2 HIS 67 HE2 HIS 67 -8.813 3.516 10.645 483 H LEU 68 H LEU 68 -6.301 10.104 7.424 484 HA LEU 68 HA LEU 68 -7.570 10.814 4.844 485 HB2 LEU 68 HB2 LEU 68 -7.750 12.364 6.847 486 HB3 LEU 68 HB3 LEU 68 -6.013 12.602 6.710 487 HG LEU 68 HG LEU 68 -6.562 13.185 4.196 488 HD11 LEU 68 HD11 LEU 68 -9.241 13.600 5.554 489 HD12 LEU 68 HD12 LEU 68 -8.904 12.588 4.148 490 HD13 LEU 68 HD13 LEU 68 -8.785 14.339 4.022 491 HD21 LEU 68 HD21 LEU 68 -5.674 14.795 5.829 492 HD22 LEU 68 HD22 LEU 68 -7.299 15.057 6.462 493 HD23 LEU 68 HD23 LEU 68 -6.905 15.549 4.815 494 H VAL 69 H VAL 69 -6.337 11.380 3.081 495 HA VAL 69 HA VAL 69 -4.548 11.388 1.659 496 HB VAL 69 HB VAL 69 -2.714 11.440 4.058 497 HG11 VAL 69 HG11 VAL 69 -1.690 11.131 1.836 498 HG12 VAL 69 HG12 VAL 69 -1.286 12.713 2.502 499 HG13 VAL 69 HG13 VAL 69 -2.521 12.572 1.251 500 HG21 VAL 69 HG21 VAL 69 -2.888 13.981 3.730 501 HG22 VAL 69 HG22 VAL 69 -4.251 13.197 4.525 502 HG23 VAL 69 HG23 VAL 69 -4.366 13.652 2.825 503 H LYS 70 H LYS 70 -3.103 9.912 0.731 504 HA LYS 70 HA LYS 70 -2.611 7.368 2.141 505 HB2 LYS 70 HB2 LYS 70 -4.166 7.729 -0.422 506 HB3 LYS 70 HB3 LYS 70 -3.349 6.215 -0.040 507 HG2 LYS 70 HG2 LYS 70 -4.671 5.867 1.904 508 HG3 LYS 70 HG3 LYS 70 -5.266 7.526 1.893 509 HD2 LYS 70 HD2 LYS 70 -6.947 5.879 1.043 510 HD3 LYS 70 HD3 LYS 70 -6.528 7.112 -0.145 511 HE2 LYS 70 HE2 LYS 70 -5.174 5.617 -1.388 512 HE3 LYS 70 HE3 LYS 70 -5.090 4.457 -0.062 513 HZ1 LYS 70 HZ1 LYS 70 -7.070 4.745 -2.101 514 HZ2 LYS 70 HZ2 LYS 70 -7.758 4.740 -0.548 515 HZ3 LYS 70 HZ3 LYS 70 -6.782 3.443 -1.050 516 H ALA 71 H ALA 71 -1.284 5.911 0.605 517 HA ALA 71 HA ALA 71 0.678 7.503 -0.952 518 HB1 ALA 71 HB1 ALA 71 2.494 6.289 0.043 519 HB2 ALA 71 HB2 ALA 71 1.385 5.235 0.921 520 HB3 ALA 71 HB3 ALA 71 1.518 6.937 1.361 521 H LYS 72 H LYS 72 1.101 6.679 -2.887 522 HA LYS 72 HA LYS 72 0.235 3.901 -3.512 523 HB2 LYS 72 HB2 LYS 72 0.325 6.317 -5.335 524 HB3 LYS 72 HB3 LYS 72 -0.205 4.695 -5.779 525 HG2 LYS 72 HG2 LYS 72 -2.042 4.818 -4.170 526 HG3 LYS 72 HG3 LYS 72 -1.485 6.397 -3.617 527 HD2 LYS 72 HD2 LYS 72 -1.958 7.394 -5.762 528 HD3 LYS 72 HD3 LYS 72 -2.284 5.817 -6.482 529 HE2 LYS 72 HE2 LYS 72 -4.344 7.173 -5.833 530 HE3 LYS 72 HE3 LYS 72 -4.276 5.535 -5.180 531 HZ1 LYS 72 HZ1 LYS 72 -4.793 7.579 -3.653 532 HZ2 LYS 72 HZ2 LYS 72 -3.099 7.708 -3.609 533 HZ3 LYS 72 HZ3 LYS 72 -3.856 6.280 -3.086 534 H ARG 73 H ARG 73 1.662 2.581 -4.479 535 HA ARG 73 HA ARG 73 4.431 3.506 -4.776 536 HB2 ARG 73 HB2 ARG 73 3.879 1.384 -3.555 537 HB3 ARG 73 HB3 ARG 73 3.303 0.716 -5.082 538 HG2 ARG 73 HG2 ARG 73 5.502 1.009 -6.091 539 HG3 ARG 73 HG3 ARG 73 6.095 1.812 -4.637 540 HD2 ARG 73 HD2 ARG 73 6.752 -0.605 -4.779 541 HD3 ARG 73 HD3 ARG 73 5.818 -0.216 -3.337 542 HE ARG 73 HE ARG 73 4.117 -1.581 -4.132 543 HH11 ARG 73 HH21 ARG 73 6.349 -0.773 -6.650 544 HH12 ARG 73 HH22 ARG 73 5.661 -1.868 -7.802 545 HH21 ARG 73 HH11 ARG 73 3.196 -3.007 -5.645 546 HH22 ARG 73 HH12 ARG 73 3.876 -3.132 -7.233 547 H GLN 74 H GLN 74 5.308 3.962 -6.696 548 HA GLN 74 HA GLN 74 4.267 2.736 -9.153 549 HB2 GLN 74 HB2 GLN 74 3.045 4.928 -8.722 550 HB3 GLN 74 HB3 GLN 74 4.602 5.730 -8.932 551 HG2 GLN 74 HG2 GLN 74 4.818 4.809 -11.179 552 HG3 GLN 74 HG3 GLN 74 3.333 3.883 -10.975 553 HE21 GLN 74 HE21 GLN 74 1.619 4.875 -12.032 554 HE22 GLN 74 HE22 GLN 74 1.396 6.552 -12.168 555 H GLY 75 H GLY 75 6.176 1.684 -9.515 556 HA2 GLY 75 HA2 GLY 75 8.272 1.493 -10.485 557 HA3 GLY 75 HA3 GLY 75 8.353 3.250 -10.573 558 H GLN 76 H GLN 76 9.439 4.365 -9.027 559 HA GLN 76 HA GLN 76 10.555 2.878 -6.706 560 HB2 GLN 76 HB2 GLN 76 11.964 4.861 -8.510 561 HB3 GLN 76 HB3 GLN 76 12.630 4.198 -7.018 562 HG2 GLN 76 HG2 GLN 76 12.431 1.916 -7.952 563 HG3 GLN 76 HG3 GLN 76 11.787 2.590 -9.449 564 HE21 GLN 76 HE21 GLN 76 13.445 2.410 -10.974 565 HE22 GLN 76 HE22 GLN 76 15.055 2.879 -10.709 566 H SER 77 H SER 77 9.197 5.798 -8.022 567 HA SER 77 HA SER 77 9.641 7.331 -5.567 568 HB2 SER 77 HB2 SER 77 9.852 8.648 -7.516 569 HB3 SER 77 HB3 SER 77 8.409 7.947 -8.248 570 HG SER 77 HG SER 77 7.923 9.069 -5.816 571 H MET 78 H MET 78 8.044 7.967 -4.168 572 HA MET 78 HA MET 78 5.549 6.391 -4.210 573 HB2 MET 78 HB2 MET 78 6.699 8.098 -1.992 574 HB3 MET 78 HB3 MET 78 5.369 6.946 -1.868 575 HG2 MET 78 HG2 MET 78 6.890 5.101 -2.430 576 HG3 MET 78 HG3 MET 78 8.222 6.240 -2.621 577 HE1 MET 78 HE1 MET 78 6.599 3.792 -0.450 578 HE2 MET 78 HE2 MET 78 5.415 5.066 -0.161 579 HE3 MET 78 HE3 MET 78 6.432 4.495 1.161 580 H ILE 79 H ILE 79 4.157 7.478 -5.541 581 HA ILE 79 HA ILE 79 3.933 10.353 -5.496 582 HB ILE 79 HB ILE 79 1.980 8.422 -6.748 583 HG12 ILE 79 HG12 ILE 79 4.150 7.667 -7.478 584 HG13 ILE 79 HG13 ILE 79 3.444 8.605 -8.792 585 HG21 ILE 79 HG21 ILE 79 2.928 11.196 -7.522 586 HG22 ILE 79 HG22 ILE 79 1.405 10.833 -6.711 587 HG23 ILE 79 HG23 ILE 79 1.690 10.255 -8.352 588 HD11 ILE 79 HD11 ILE 79 5.684 9.379 -8.619 589 HD12 ILE 79 HD12 ILE 79 5.610 9.442 -6.858 590 HD13 ILE 79 HD13 ILE 79 4.717 10.619 -7.822 591 H TYR 80 H TYR 80 2.569 11.572 -4.356 592 HA TYR 80 HA TYR 80 0.543 10.255 -2.627 593 HB2 TYR 80 HB2 TYR 80 2.038 12.867 -2.298 594 HB3 TYR 80 HB3 TYR 80 0.759 12.297 -1.226 595 HD1 TYR 80 HD1 TYR 80 1.104 10.375 0.248 596 HD2 TYR 80 HD2 TYR 80 4.223 11.772 -2.354 597 HE1 TYR 80 HE1 TYR 80 2.757 9.013 1.498 598 HE2 TYR 80 HE2 TYR 80 5.875 10.403 -1.109 599 HH TYR 80 HH TYR 80 5.909 9.461 1.465 600 H SER 81 H SER 81 -1.539 11.005 -2.628 601 HA SER 81 HA SER 81 -2.267 13.405 -4.118 602 HB2 SER 81 HB2 SER 81 -3.727 12.292 -5.669 603 HB3 SER 81 HB3 SER 81 -2.136 11.546 -5.816 604 HG SER 81 HG SER 81 -3.966 10.072 -5.635 605 H LEU 82 H LEU 82 -4.855 13.362 -4.220 606 HA LEU 82 HA LEU 82 -5.695 13.465 -1.494 607 HB2 LEU 82 HB2 LEU 82 -7.538 13.537 -3.882 608 HB3 LEU 82 HB3 LEU 82 -7.729 14.338 -2.322 609 HG LEU 82 HG LEU 82 -5.667 14.981 -4.449 610 HD11 LEU 82 HD11 LEU 82 -6.836 17.090 -4.630 611 HD12 LEU 82 HD12 LEU 82 -7.876 16.684 -3.264 612 HD13 LEU 82 HD13 LEU 82 -8.028 15.799 -4.782 613 HD21 LEU 82 HD21 LEU 82 -5.165 16.905 -2.809 614 HD22 LEU 82 HD22 LEU 82 -4.550 15.311 -2.380 615 HD23 LEU 82 HD23 LEU 82 -6.004 15.934 -1.600 616 H ASP 83 H ASP 83 -7.661 12.377 -0.680 617 HA ASP 83 HA ASP 83 -7.405 9.544 -0.926 618 HB2 ASP 83 HB2 ASP 83 -9.480 11.265 0.451 619 HB3 ASP 83 HB3 ASP 83 -9.393 9.509 0.594 620 H ASP 84 H ASP 84 -10.192 11.684 -1.586 621 HA ASP 84 HA ASP 84 -10.781 10.332 -4.059 622 HB2 ASP 84 HB2 ASP 84 -11.675 8.816 -2.179 623 HB3 ASP 84 HB3 ASP 84 -12.873 10.076 -1.899 624 H ILE 85 H ILE 85 -13.371 11.030 -4.460 625 HA ILE 85 HA ILE 85 -13.181 13.868 -4.804 626 HB ILE 85 HB ILE 85 -15.675 12.209 -5.173 627 HG12 ILE 85 HG12 ILE 85 -13.934 10.949 -6.267 628 HG13 ILE 85 HG13 ILE 85 -14.818 11.827 -7.513 629 HG21 ILE 85 HG21 ILE 85 -16.098 13.834 -6.967 630 HG22 ILE 85 HG22 ILE 85 -14.552 14.616 -6.636 631 HG23 ILE 85 HG23 ILE 85 -15.841 14.666 -5.433 632 HD11 ILE 85 HD11 ILE 85 -12.520 12.154 -8.035 633 HD12 ILE 85 HD12 ILE 85 -12.104 12.471 -6.351 634 HD13 ILE 85 HD13 ILE 85 -13.031 13.658 -7.268 635 H HIS 86 H HIS 86 -12.896 14.206 -2.402 636 HA HIS 86 HA HIS 86 -15.432 15.098 -1.284 637 HB2 HIS 86 HB2 HIS 86 -13.734 12.963 0.018 638 HB3 HIS 86 HB3 HIS 86 -14.855 13.967 0.936 639 HD1 HIS 86 HD1 HIS 86 -14.922 10.751 -0.090 640 HD2 HIS 86 HD2 HIS 86 -17.450 13.921 -1.062 641 HE1 HIS 86 HE1 HIS 86 -17.099 9.719 -0.867 642 HE2 HIS 86 HE2 HIS 86 -18.651 11.636 -1.463 643 H VAL 87 H VAL 87 -11.943 14.886 -1.204 644 HA VAL 87 HA VAL 87 -11.634 16.917 0.838 645 HB VAL 87 HB VAL 87 -9.590 15.729 -1.055 646 HG11 VAL 87 HG11 VAL 87 -8.040 16.464 0.825 647 HG12 VAL 87 HG12 VAL 87 -9.397 17.387 1.469 648 HG13 VAL 87 HG13 VAL 87 -8.747 17.772 -0.124 649 HG21 VAL 87 HG21 VAL 87 -9.038 14.240 0.812 650 HG22 VAL 87 HG22 VAL 87 -10.735 14.041 0.373 651 HG23 VAL 87 HG23 VAL 87 -10.298 14.982 1.799 652 H ALA 88 H ALA 88 -11.566 16.723 -2.673 653 HA ALA 88 HA ALA 88 -10.419 19.231 -3.224 654 HB1 ALA 88 HB1 ALA 88 -11.574 19.015 -5.428 655 HB2 ALA 88 HB2 ALA 88 -12.429 17.606 -4.798 656 HB3 ALA 88 HB3 ALA 88 -10.674 17.569 -4.969 657 H THR 89 H THR 89 -13.883 18.352 -3.342 658 HA THR 89 HA THR 89 -14.881 20.934 -3.649 659 HB THR 89 HB THR 89 -16.433 19.209 -3.998 660 HG1 THR 89 HG1 THR 89 -17.817 20.407 -2.996 661 HG21 THR 89 HG21 THR 89 -16.949 17.541 -2.153 662 HG22 THR 89 HG22 THR 89 -15.542 18.172 -1.297 663 HG23 THR 89 HG23 THR 89 -15.344 17.392 -2.867 664 H MET 90 H MET 90 -14.052 19.164 -0.701 665 HA MET 90 HA MET 90 -15.150 20.815 1.230 666 HB2 MET 90 HB2 MET 90 -13.922 18.664 1.640 667 HB3 MET 90 HB3 MET 90 -12.410 19.538 1.396 668 HG2 MET 90 HG2 MET 90 -12.916 21.024 3.258 669 HG3 MET 90 HG3 MET 90 -14.505 20.284 3.458 670 HE1 MET 90 HE1 MET 90 -14.825 18.365 5.355 671 HE2 MET 90 HE2 MET 90 -14.024 16.891 4.813 672 HE3 MET 90 HE3 MET 90 -14.881 17.905 3.653 673 H LEU 91 H LEU 91 -12.014 21.146 -0.415 674 HA LEU 91 HA LEU 91 -11.103 23.417 0.948 675 HB2 LEU 91 HB2 LEU 91 -9.632 22.119 -0.484 676 HB3 LEU 91 HB3 LEU 91 -10.610 22.500 -1.897 677 HG LEU 91 HG LEU 91 -10.006 24.857 -1.737 678 HD11 LEU 91 HD11 LEU 91 -9.826 25.332 0.565 679 HD12 LEU 91 HD12 LEU 91 -8.157 25.411 0.016 680 HD13 LEU 91 HD13 LEU 91 -8.738 23.976 0.858 681 HD21 LEU 91 HD21 LEU 91 -8.475 23.234 -2.878 682 HD22 LEU 91 HD22 LEU 91 -7.534 23.142 -1.389 683 HD23 LEU 91 HD23 LEU 91 -7.650 24.668 -2.266 684 H LYS 92 H LYS 92 -13.111 23.103 -1.957 685 HA LYS 92 HA LYS 92 -13.278 25.884 -2.519 686 HB2 LYS 92 HB2 LYS 92 -15.223 23.680 -3.250 687 HB3 LYS 92 HB3 LYS 92 -15.105 25.265 -4.014 688 HG2 LYS 92 HG2 LYS 92 -12.746 24.733 -4.652 689 HG3 LYS 92 HG3 LYS 92 -12.968 23.112 -3.989 690 HD2 LYS 92 HD2 LYS 92 -14.675 22.598 -5.601 691 HD3 LYS 92 HD3 LYS 92 -14.762 24.277 -6.133 692 HE2 LYS 92 HE2 LYS 92 -12.309 22.513 -6.407 693 HE3 LYS 92 HE3 LYS 92 -13.458 22.837 -7.705 694 HZ1 LYS 92 HZ1 LYS 92 -11.957 24.475 -8.096 695 HZ2 LYS 92 HZ2 LYS 92 -11.493 24.615 -6.469 696 HZ3 LYS 92 HZ3 LYS 92 -12.953 25.302 -6.999 697 H GLN 93 H GLN 93 -15.814 23.707 -1.270 698 HA GLN 93 HA GLN 93 -17.779 25.433 -0.655 699 HB2 GLN 93 HB2 GLN 93 -17.701 22.933 -0.202 700 HB3 GLN 93 HB3 GLN 93 -16.925 23.328 1.331 701 HG2 GLN 93 HG2 GLN 93 -19.255 23.176 1.819 702 HG3 GLN 93 HG3 GLN 93 -18.898 24.900 1.759 703 HE21 GLN 93 HE21 GLN 93 -19.444 22.543 -0.915 704 HE22 GLN 93 HE22 GLN 93 -20.727 23.413 -1.610 705 H ALA 94 H ALA 94 -14.754 25.139 1.128 706 HA ALA 94 HA ALA 94 -15.591 26.626 3.403 707 HB1 ALA 94 HB1 ALA 94 -13.641 25.142 3.464 708 HB2 ALA 94 HB2 ALA 94 -13.180 26.788 3.898 709 HB3 ALA 94 HB3 ALA 94 -12.813 26.164 2.289 710 H ILE 95 H ILE 95 -13.258 27.601 0.882 711 HA ILE 95 HA ILE 95 -13.300 30.332 1.551 712 HB ILE 95 HB ILE 95 -12.482 28.813 -0.924 713 HG12 ILE 95 HG12 ILE 95 -10.238 29.509 -0.212 714 HG13 ILE 95 HG13 ILE 95 -10.931 30.435 1.118 715 HG21 ILE 95 HG21 ILE 95 -11.404 31.012 -1.643 716 HG22 ILE 95 HG22 ILE 95 -12.464 31.808 -0.480 717 HG23 ILE 95 HG23 ILE 95 -13.152 30.920 -1.840 718 HD11 ILE 95 HD11 ILE 95 -10.029 28.074 1.650 719 HD12 ILE 95 HD12 ILE 95 -11.465 27.479 0.820 720 HD13 ILE 95 HD13 ILE 95 -11.630 28.484 2.260 721 H HIS 96 H HIS 96 -15.759 28.481 0.302 722 HA HIS 96 HA HIS 96 -16.905 30.368 -1.537 723 HB2 HIS 96 HB2 HIS 96 -17.392 27.864 -1.453 724 HB3 HIS 96 HB3 HIS 96 -18.388 28.202 -0.037 725 HD1 HIS 96 HD1 HIS 96 -18.037 29.847 -3.474 726 HD2 HIS 96 HD2 HIS 96 -20.998 28.520 -0.855 727 HE1 HIS 96 HE1 HIS 96 -20.254 30.396 -4.564 728 HE2 HIS 96 HE2 HIS 96 -22.070 29.599 -2.980 729 H HIS 97 H HIS 97 -18.034 29.272 1.678 730 HA HIS 97 HA HIS 97 -19.890 31.327 2.076 731 HB2 HIS 97 HB2 HIS 97 -19.777 29.279 3.462 732 HB3 HIS 97 HB3 HIS 97 -18.276 29.862 4.180 733 HD1 HIS 97 HD1 HIS 97 -21.961 30.278 4.308 734 HD2 HIS 97 HD2 HIS 97 -18.611 32.228 5.842 735 HE1 HIS 97 HE1 HIS 97 -22.808 31.854 6.099 736 HE2 HIS 97 HE2 HIS 97 -20.779 33.047 7.049 737 H ALA 98 H ALA 98 -16.484 31.422 2.066 738 HA ALA 98 HA ALA 98 -16.078 33.592 3.880 739 HB1 ALA 98 HB1 ALA 98 -14.330 32.856 1.526 740 HB2 ALA 98 HB2 ALA 98 -14.309 31.972 3.051 741 HB3 ALA 98 HB3 ALA 98 -13.850 33.674 3.012 742 H ASN 99 H ASN 99 -15.563 33.641 0.352 743 HA ASN 99 HA ASN 99 -16.005 36.474 0.223 744 HB2 ASN 99 HB2 ASN 99 -14.485 35.184 -1.314 745 HB3 ASN 99 HB3 ASN 99 -15.923 34.505 -2.071 746 HD21 ASN 99 HD21 ASN 99 -15.012 37.834 -0.984 747 HD22 ASN 99 HD22 ASN 99 -15.422 38.576 -2.455 748 H HIS 100 H HIS 100 -17.755 33.702 -1.198 749 HA HIS 100 HA HIS 100 -19.924 33.533 -1.969 750 HB2 HIS 100 HB2 HIS 100 -20.116 33.507 0.564 751 HB3 HIS 100 HB3 HIS 100 -20.561 35.210 0.463 752 HD1 HIS 100 HD1 HIS 100 -22.737 33.518 1.548 753 HD2 HIS 100 HD2 HIS 100 -22.206 33.956 -2.564 754 HE1 HIS 100 HE1 HIS 100 -24.949 32.920 0.472 755 HE2 HIS 100 HE2 HIS 100 -24.643 33.181 -2.035 756 HA PRO 101 HA PRO 101 -20.052 37.934 -3.511 757 HB2 PRO 101 HB2 PRO 101 -19.189 37.559 -6.048 758 HB3 PRO 101 HB3 PRO 101 -18.049 37.661 -4.691 759 HG2 PRO 101 HG2 PRO 101 -19.113 35.232 -6.085 760 HG3 PRO 101 HG3 PRO 101 -17.450 35.604 -5.609 761 HD2 PRO 101 HD2 PRO 101 -19.132 33.993 -4.118 762 HD3 PRO 101 HD3 PRO 101 -17.802 34.929 -3.407 763 H LYS 102 H LYS 102 -22.021 38.627 -4.122 764 HA LYS 102 HA LYS 102 -24.003 36.831 -5.138 765 HB2 LYS 102 HB2 LYS 102 -24.051 39.849 -4.878 766 HB3 LYS 102 HB3 LYS 102 -25.453 38.821 -5.181 767 HG2 LYS 102 HG2 LYS 102 -25.128 37.686 -3.043 768 HG3 LYS 102 HG3 LYS 102 -23.654 38.610 -2.748 769 HD2 LYS 102 HD2 LYS 102 -25.010 40.711 -2.833 770 HD3 LYS 102 HD3 LYS 102 -26.464 39.725 -2.987 771 HE2 LYS 102 HE2 LYS 102 -24.504 39.454 -0.695 772 HE3 LYS 102 HE3 LYS 102 -25.945 40.467 -0.624 773 HZ1 LYS 102 HZ1 LYS 102 -26.186 37.657 -1.452 774 HZ2 LYS 102 HZ2 LYS 102 -27.333 38.661 -0.705 775 HZ3 LYS 102 HZ3 LYS 102 -26.041 38.027 0.199 776 H GLU 103 H GLU 103 -22.175 39.549 -6.514 777 HA GLU 103 HA GLU 103 -23.369 39.680 -9.022 778 HB2 GLU 103 HB2 GLU 103 -20.441 40.074 -8.351 779 HB3 GLU 103 HB3 GLU 103 -21.259 40.669 -9.796 780 HG2 GLU 103 HG2 GLU 103 -22.720 42.071 -8.444 781 HG3 GLU 103 HG3 GLU 103 -22.043 41.402 -6.960 782 H ASN 9 H ASN 9 -6.443 40.446 -1.716 783 HA ASN 9 HA ASN 9 -7.315 38.393 -1.734 784 HB2 ASN 9 HB2 ASN 9 -5.770 38.584 -3.720 785 HB3 ASN 9 HB3 ASN 9 -4.562 37.698 -2.791 786 HD21 ASN 9 HD21 ASN 9 -6.314 36.976 -5.273 787 HD22 ASN 9 HD22 ASN 9 -6.961 35.463 -4.859 788 H THR 10 H THR 10 -3.913 37.639 -0.941 789 HA THR 10 HA THR 10 -4.312 35.351 0.525 790 HB THR 10 HB THR 10 -2.296 37.495 1.235 791 HG1 THR 10 HG1 THR 10 -1.005 36.431 -0.308 792 HG21 THR 10 HG21 THR 10 -2.393 35.678 2.849 793 HG22 THR 10 HG22 THR 10 -0.941 35.485 1.868 794 HG23 THR 10 HG23 THR 10 -2.356 34.480 1.556 795 H ASP 11 H ASP 11 -5.191 38.566 1.365 796 HA ASP 11 HA ASP 11 -5.167 38.501 4.155 797 HB2 ASP 11 HB2 ASP 11 -5.725 40.478 2.688 798 HB3 ASP 11 HB3 ASP 11 -7.326 39.774 2.464 799 H THR 12 H THR 12 -7.630 37.344 1.877 800 HA THR 12 HA THR 12 -9.573 36.587 3.766 801 HB THR 12 HB THR 12 -10.480 35.166 1.991 802 HG1 THR 12 HG1 THR 12 -8.408 35.816 0.270 803 HG21 THR 12 HG21 THR 12 -9.302 37.732 0.880 804 HG22 THR 12 HG22 THR 12 -10.769 37.633 1.854 805 HG23 THR 12 HG23 THR 12 -10.717 36.882 0.259 806 H LEU 13 H LEU 13 -6.873 34.772 2.342 807 HA LEU 13 HA LEU 13 -7.300 32.254 3.293 808 HB2 LEU 13 HB2 LEU 13 -5.263 33.417 2.015 809 HB3 LEU 13 HB3 LEU 13 -4.537 33.393 3.609 810 HG LEU 13 HG LEU 13 -3.843 31.396 2.519 811 HD11 LEU 13 HD11 LEU 13 -6.140 30.445 4.222 812 HD12 LEU 13 HD12 LEU 13 -4.745 31.268 4.923 813 HD13 LEU 13 HD13 LEU 13 -4.528 29.752 4.054 814 HD21 LEU 13 HD21 LEU 13 -5.900 31.506 0.874 815 HD22 LEU 13 HD22 LEU 13 -6.646 30.417 2.040 816 HD23 LEU 13 HD23 LEU 13 -5.143 29.965 1.248 817 H GLU 14 H GLU 14 -6.161 35.045 5.101 818 HA GLU 14 HA GLU 14 -5.496 33.710 7.508 819 HB2 GLU 14 HB2 GLU 14 -4.896 36.090 6.867 820 HB3 GLU 14 HB3 GLU 14 -6.553 36.531 7.276 821 HG2 GLU 14 HG2 GLU 14 -6.227 35.633 9.554 822 HG3 GLU 14 HG3 GLU 14 -4.566 35.204 9.145 823 H ARG 15 H ARG 15 -8.411 35.613 6.704 824 HA ARG 15 HA ARG 15 -9.893 35.072 8.977 825 HB2 ARG 15 HB2 ARG 15 -10.554 36.695 7.230 826 HB3 ARG 15 HB3 ARG 15 -10.954 35.357 6.155 827 HG2 ARG 15 HG2 ARG 15 -12.705 34.599 7.615 828 HG3 ARG 15 HG3 ARG 15 -12.191 35.695 8.898 829 HD2 ARG 15 HD2 ARG 15 -13.247 36.554 6.187 830 HD3 ARG 15 HD3 ARG 15 -14.177 36.558 7.683 831 HE ARG 15 HE ARG 15 -11.962 38.061 8.272 832 HH11 ARG 15 HH21 ARG 15 -14.412 38.077 5.828 833 HH12 ARG 15 HH22 ARG 15 -14.353 39.791 5.585 834 HH21 ARG 15 HH11 ARG 15 -11.882 40.310 7.961 835 HH22 ARG 15 HH12 ARG 15 -12.921 41.055 6.794 836 H VAL 16 H VAL 16 -9.738 33.193 5.962 837 HA VAL 16 HA VAL 16 -11.661 31.294 6.379 838 HB VAL 16 HB VAL 16 -8.875 30.883 5.269 839 HG11 VAL 16 HG11 VAL 16 -10.041 28.955 4.066 840 HG12 VAL 16 HG12 VAL 16 -11.352 29.146 5.230 841 HG13 VAL 16 HG13 VAL 16 -9.735 28.711 5.785 842 HG21 VAL 16 HG21 VAL 16 -11.487 31.223 3.782 843 HG22 VAL 16 HG22 VAL 16 -9.848 31.337 3.142 844 HG23 VAL 16 HG23 VAL 16 -10.468 32.597 4.208 845 H THR 17 H THR 17 -8.734 31.752 8.161 846 HA THR 17 HA THR 17 -8.673 29.129 9.345 847 HB THR 17 HB THR 17 -7.356 31.670 10.329 848 HG1 THR 17 HG1 THR 17 -5.558 30.773 9.143 849 HG21 THR 17 HG21 THR 17 -7.383 29.860 11.972 850 HG22 THR 17 HG22 THR 17 -5.752 30.040 11.324 851 HG23 THR 17 HG23 THR 17 -6.785 28.723 10.765 852 H GLU 18 H GLU 18 -9.852 32.330 10.288 853 HA GLU 18 HA GLU 18 -10.569 31.779 12.931 854 HB2 GLU 18 HB2 GLU 18 -10.581 34.040 11.870 855 HB3 GLU 18 HB3 GLU 18 -12.047 33.584 11.003 856 HG2 GLU 18 HG2 GLU 18 -13.257 33.281 13.074 857 HG3 GLU 18 HG3 GLU 18 -11.786 33.500 14.020 858 H ILE 19 H ILE 19 -11.913 30.605 10.001 859 HA ILE 19 HA ILE 19 -14.572 30.126 10.939 860 HB ILE 19 HB ILE 19 -13.094 28.679 8.729 861 HG12 ILE 19 HG12 ILE 19 -14.783 31.200 8.620 862 HG13 ILE 19 HG13 ILE 19 -13.027 31.152 8.464 863 HG21 ILE 19 HG21 ILE 19 -15.221 27.641 9.484 864 HG22 ILE 19 HG22 ILE 19 -15.370 28.303 7.859 865 HG23 ILE 19 HG23 ILE 19 -16.047 29.178 9.232 866 HD11 ILE 19 HD11 ILE 19 -13.303 29.620 6.496 867 HD12 ILE 19 HD12 ILE 19 -14.000 31.220 6.237 868 HD13 ILE 19 HD13 ILE 19 -15.046 29.853 6.613 869 H PHE 20 H PHE 20 -11.957 27.779 10.241 870 HA PHE 20 HA PHE 20 -13.104 25.552 11.367 871 HB2 PHE 20 HB2 PHE 20 -10.168 26.125 11.745 872 HB3 PHE 20 HB3 PHE 20 -10.959 24.580 11.441 873 HD1 PHE 20 HD2 PHE 20 -12.612 24.796 9.208 874 HD2 PHE 20 HD1 PHE 20 -8.916 26.872 9.911 875 HE1 PHE 20 HE2 PHE 20 -12.322 25.110 6.768 876 HE2 PHE 20 HE1 PHE 20 -8.628 27.185 7.469 877 HZ PHE 20 HZ PHE 20 -10.330 26.303 5.896 878 H LYS 21 H LYS 21 -10.697 27.552 13.083 879 HA LYS 21 HA LYS 21 -10.874 26.434 15.561 880 HB2 LYS 21 HB2 LYS 21 -10.478 29.329 14.794 881 HB3 LYS 21 HB3 LYS 21 -10.299 28.746 16.450 882 HG2 LYS 21 HG2 LYS 21 -8.506 27.283 15.836 883 HG3 LYS 21 HG3 LYS 21 -8.822 27.509 14.115 884 HD2 LYS 21 HD2 LYS 21 -8.125 29.834 14.241 885 HD3 LYS 21 HD3 LYS 21 -7.957 29.727 15.993 886 HE2 LYS 21 HE2 LYS 21 -6.357 28.112 13.984 887 HE3 LYS 21 HE3 LYS 21 -5.763 29.526 14.854 888 HZ1 LYS 21 HZ1 LYS 21 -5.057 27.907 16.252 889 HZ2 LYS 21 HZ2 LYS 21 -6.295 26.826 15.829 890 HZ3 LYS 21 HZ3 LYS 21 -6.616 28.111 16.892 891 H ALA 22 H ALA 22 -13.100 28.796 14.159 892 HA ALA 22 HA ALA 22 -14.570 29.239 16.571 893 HB1 ALA 22 HB1 ALA 22 -16.233 30.300 15.072 894 HB2 ALA 22 HB2 ALA 22 -15.342 29.691 13.676 895 HB3 ALA 22 HB3 ALA 22 -14.597 30.874 14.751 896 H LEU 23 H LEU 23 -14.211 26.482 14.948 897 HA LEU 23 HA LEU 23 -16.986 25.527 15.415 898 HB2 LEU 23 HB2 LEU 23 -16.105 25.651 13.000 899 HB3 LEU 23 HB3 LEU 23 -15.006 24.361 13.462 900 HG LEU 23 HG LEU 23 -17.195 23.165 14.322 901 HD11 LEU 23 HD11 LEU 23 -18.768 24.990 14.025 902 HD12 LEU 23 HD12 LEU 23 -19.149 23.731 12.855 903 HD13 LEU 23 HD13 LEU 23 -18.292 25.179 12.337 904 HD21 LEU 23 HD21 LEU 23 -17.573 22.245 12.017 905 HD22 LEU 23 HD22 LEU 23 -15.879 22.268 12.502 906 HD23 LEU 23 HD23 LEU 23 -16.494 23.493 11.394 907 H GLY 24 H GLY 24 -13.650 25.210 16.163 908 HA2 GLY 24 HA2 GLY 24 -13.677 22.454 16.952 909 HA3 GLY 24 HA3 GLY 24 -12.446 23.645 17.358 910 H ASP 25 H ASP 25 -15.722 22.566 18.196 911 HA ASP 25 HA ASP 25 -15.157 22.771 21.004 912 HB2 ASP 25 HB2 ASP 25 -15.627 25.147 20.451 913 HB3 ASP 25 HB3 ASP 25 -17.214 24.670 19.851 914 H TYR 26 H TYR 26 -16.061 20.960 21.716 915 HA TYR 26 HA TYR 26 -17.937 19.387 20.418 916 HB2 TYR 26 HB2 TYR 26 -16.600 18.562 22.286 917 HB3 TYR 26 HB3 TYR 26 -17.436 19.651 23.393 918 HD1 TYR 26 HD1 TYR 26 -19.890 19.350 23.826 919 HD2 TYR 26 HD2 TYR 26 -17.586 16.492 21.595 920 HE1 TYR 26 HE1 TYR 26 -21.662 17.650 24.171 921 HE2 TYR 26 HE2 TYR 26 -19.361 14.795 21.936 922 HH TYR 26 HH TYR 26 -22.046 15.011 22.427 923 H ASN 27 H ASN 27 -18.416 22.231 22.362 924 HA ASN 27 HA ASN 27 -21.198 21.776 22.897 925 HB2 ASN 27 HB2 ASN 27 -19.648 23.236 24.263 926 HB3 ASN 27 HB3 ASN 27 -19.730 24.417 22.956 927 HD21 ASN 27 HD21 ASN 27 -22.683 23.230 22.633 928 HD22 ASN 27 HD22 ASN 27 -23.545 24.136 23.781 929 H ARG 28 H ARG 28 -19.420 23.845 20.605 930 HA ARG 28 HA ARG 28 -21.816 24.880 19.419 931 HB2 ARG 28 HB2 ARG 28 -18.989 24.921 18.339 932 HB3 ARG 28 HB3 ARG 28 -20.326 25.947 17.819 933 HG2 ARG 28 HG2 ARG 28 -20.463 26.945 20.053 934 HG3 ARG 28 HG3 ARG 28 -19.177 25.881 20.626 935 HD2 ARG 28 HD2 ARG 28 -17.555 26.923 19.220 936 HD3 ARG 28 HD3 ARG 28 -18.794 27.762 18.291 937 HE ARG 28 HE ARG 28 -18.937 28.537 21.021 938 HH11 ARG 28 HH21 ARG 28 -17.030 28.855 18.151 939 HH12 ARG 28 HH22 ARG 28 -16.415 30.420 18.566 940 HH21 ARG 28 HH11 ARG 28 -18.136 30.592 21.570 941 HH22 ARG 28 HH12 ARG 28 -17.041 31.403 20.500 942 H ILE 29 H ILE 29 -19.585 22.261 18.652 943 HA ILE 29 HA ILE 29 -20.396 21.793 16.011 944 HB ILE 29 HB ILE 29 -19.305 19.893 18.095 945 HG12 ILE 29 HG12 ILE 29 -17.929 21.140 15.705 946 HG13 ILE 29 HG13 ILE 29 -17.943 21.911 17.290 947 HG21 ILE 29 HG21 ILE 29 -19.807 19.545 15.130 948 HG22 ILE 29 HG22 ILE 29 -20.371 18.519 16.449 949 HG23 ILE 29 HG23 ILE 29 -18.660 18.547 16.023 950 HD11 ILE 29 HD11 ILE 29 -17.022 19.060 16.867 951 HD12 ILE 29 HD12 ILE 29 -16.790 20.067 18.296 952 HD13 ILE 29 HD13 ILE 29 -15.921 20.436 16.806 953 H ARG 30 H ARG 30 -21.684 20.451 19.069 954 HA ARG 30 HA ARG 30 -23.525 18.730 17.732 955 HB2 ARG 30 HB2 ARG 30 -22.607 18.465 20.098 956 HB3 ARG 30 HB3 ARG 30 -23.763 19.708 20.579 957 HG2 ARG 30 HG2 ARG 30 -25.594 18.317 19.588 958 HG3 ARG 30 HG3 ARG 30 -24.410 17.052 19.265 959 HD2 ARG 30 HD2 ARG 30 -23.847 17.172 21.771 960 HD3 ARG 30 HD3 ARG 30 -25.331 18.105 21.941 961 HE ARG 30 HE ARG 30 -25.160 15.283 21.607 962 HH11 ARG 30 HH21 ARG 30 -26.977 18.096 20.738 963 HH12 ARG 30 HH22 ARG 30 -28.444 17.226 20.438 964 HH21 ARG 30 HH11 ARG 30 -27.082 14.135 21.222 965 HH22 ARG 30 HH12 ARG 30 -28.505 14.983 20.716 966 H ILE 31 H ILE 31 -23.698 22.020 18.970 967 HA ILE 31 HA ILE 31 -26.533 22.265 18.869 968 HB ILE 31 HB ILE 31 -24.328 24.333 18.748 969 HG12 ILE 31 HG12 ILE 31 -26.278 23.713 20.977 970 HG13 ILE 31 HG13 ILE 31 -24.719 22.902 20.843 971 HG21 ILE 31 HG21 ILE 31 -27.337 24.630 18.872 972 HG22 ILE 31 HG22 ILE 31 -26.228 25.357 17.709 973 HG23 ILE 31 HG23 ILE 31 -26.234 25.906 19.386 974 HD11 ILE 31 HD11 ILE 31 -25.038 25.915 20.899 975 HD12 ILE 31 HD12 ILE 31 -23.535 25.000 21.016 976 HD13 ILE 31 HD13 ILE 31 -24.706 24.944 22.334 977 H MET 32 H MET 32 -23.948 22.713 16.519 978 HA MET 32 HA MET 32 -25.449 23.958 14.478 979 HB2 MET 32 HB2 MET 32 -23.020 22.163 14.409 980 HB3 MET 32 HB3 MET 32 -23.704 22.891 12.958 981 HG2 MET 32 HG2 MET 32 -22.983 24.553 15.378 982 HG3 MET 32 HG3 MET 32 -21.804 24.183 14.121 983 HE1 MET 32 HE1 MET 32 -21.224 26.049 12.811 984 HE2 MET 32 HE2 MET 32 -21.758 26.965 14.220 985 HE3 MET 32 HE3 MET 32 -22.207 27.500 12.601 986 H GLU 33 H GLU 33 -25.033 20.582 15.407 987 HA GLU 33 HA GLU 33 -26.253 19.390 13.158 988 HB2 GLU 33 HB2 GLU 33 -24.932 18.152 14.863 989 HB3 GLU 33 HB3 GLU 33 -26.244 18.394 16.018 990 HG2 GLU 33 HG2 GLU 33 -27.765 17.097 14.697 991 HG3 GLU 33 HG3 GLU 33 -26.656 17.073 13.327 992 H LEU 34 H LEU 34 -27.573 20.807 16.093 993 HA LEU 34 HA LEU 34 -30.226 19.817 15.743 994 HB2 LEU 34 HB2 LEU 34 -29.526 20.512 17.934 995 HB3 LEU 34 HB3 LEU 34 -29.089 22.114 17.348 996 HG LEU 34 HG LEU 34 -31.404 22.675 16.946 997 HD11 LEU 34 HD11 LEU 34 -31.860 19.738 17.491 998 HD12 LEU 34 HD12 LEU 34 -32.370 20.686 16.094 999 HD13 LEU 34 HD13 LEU 34 -33.167 20.913 17.647 1000 HD21 LEU 34 HD21 LEU 34 -32.322 22.439 19.238 1001 HD22 LEU 34 HD22 LEU 34 -30.622 22.910 19.261 1002 HD23 LEU 34 HD23 LEU 34 -31.080 21.240 19.598 1003 H LEU 35 H LEU 35 -28.783 23.040 15.200 1004 HA LEU 35 HA LEU 35 -31.045 24.228 14.033 1005 HB2 LEU 35 HB2 LEU 35 -28.171 24.856 13.334 1006 HB3 LEU 35 HB3 LEU 35 -29.558 25.937 13.229 1007 HG LEU 35 HG LEU 35 -28.525 24.723 15.811 1008 HD11 LEU 35 HD11 LEU 35 -28.186 27.521 14.689 1009 HD12 LEU 35 HD12 LEU 35 -26.912 26.306 14.804 1010 HD13 LEU 35 HD13 LEU 35 -27.633 26.968 16.271 1011 HD21 LEU 35 HD21 LEU 35 -30.702 26.704 15.124 1012 HD22 LEU 35 HD22 LEU 35 -29.966 26.670 16.725 1013 HD23 LEU 35 HD23 LEU 35 -30.814 25.252 16.119 1014 H SER 36 H SER 36 -29.060 21.747 12.852 1015 HA SER 36 HA SER 36 -29.342 22.356 10.042 1016 HB2 SER 36 HB2 SER 36 -27.465 20.985 11.102 1017 HB3 SER 36 HB3 SER 36 -28.639 19.677 11.242 1018 HG SER 36 HG SER 36 -28.217 21.036 8.808 1019 H VAL 37 H VAL 37 -30.914 20.224 12.390 1020 HA VAL 37 HA VAL 37 -32.606 18.935 10.481 1021 HB VAL 37 HB VAL 37 -32.959 19.217 13.476 1022 HG11 VAL 37 HG11 VAL 37 -35.012 18.503 12.385 1023 HG12 VAL 37 HG12 VAL 37 -34.278 17.104 13.170 1024 HG13 VAL 37 HG13 VAL 37 -34.131 17.314 11.426 1025 HG21 VAL 37 HG21 VAL 37 -31.511 17.178 11.764 1026 HG22 VAL 37 HG22 VAL 37 -31.940 16.896 13.452 1027 HG23 VAL 37 HG23 VAL 37 -30.822 18.194 13.031 1028 H SER 38 H SER 38 -32.925 21.752 12.575 1029 HA SER 38 HA SER 38 -34.911 22.949 10.947 1030 HB2 SER 38 HB2 SER 38 -36.881 22.723 12.237 1031 HB3 SER 38 HB3 SER 38 -36.226 21.090 12.143 1032 HG SER 38 HG SER 38 -36.340 21.191 14.236 1033 H GLU 39 H GLU 39 -35.703 24.992 11.861 1034 HA GLU 39 HA GLU 39 -33.637 26.361 13.300 1035 HB2 GLU 39 HB2 GLU 39 -36.425 27.256 12.524 1036 HB3 GLU 39 HB3 GLU 39 -35.150 28.309 13.137 1037 HG2 GLU 39 HG2 GLU 39 -35.053 28.514 10.764 1038 HG3 GLU 39 HG3 GLU 39 -33.714 27.454 11.199 1039 H ALA 40 H ALA 40 -33.902 27.482 15.326 1040 HA ALA 40 HA ALA 40 -36.110 26.751 17.068 1041 HB1 ALA 40 HB1 ALA 40 -34.497 25.796 18.790 1042 HB2 ALA 40 HB2 ALA 40 -33.317 25.676 17.486 1043 HB3 ALA 40 HB3 ALA 40 -34.825 24.767 17.395 1044 H SER 41 H SER 41 -36.310 28.107 18.823 1045 HA SER 41 HA SER 41 -34.778 30.567 18.728 1046 HB2 SER 41 HB2 SER 41 -36.862 29.759 20.764 1047 HB3 SER 41 HB3 SER 41 -36.336 31.391 20.348 1048 HG SER 41 HG SER 41 -37.106 30.859 18.170 1049 H VAL 42 H VAL 42 -33.914 31.486 20.828 1050 HA VAL 42 HA VAL 42 -31.850 29.899 21.803 1051 HB VAL 42 HB VAL 42 -31.551 31.598 23.535 1052 HG11 VAL 42 HG11 VAL 42 -32.485 32.878 20.953 1053 HG12 VAL 42 HG12 VAL 42 -30.950 32.027 21.121 1054 HG13 VAL 42 HG13 VAL 42 -31.255 33.488 22.060 1055 HG21 VAL 42 HG21 VAL 42 -33.285 33.523 23.486 1056 HG22 VAL 42 HG22 VAL 42 -33.726 32.051 24.346 1057 HG23 VAL 42 HG23 VAL 42 -34.363 32.352 22.727 1058 H GLY 43 H GLY 43 -34.961 30.658 23.394 1059 HA2 GLY 43 HA2 GLY 43 -34.543 29.107 25.693 1060 HA3 GLY 43 HA3 GLY 43 -36.118 29.555 25.047 1061 H HIS 44 H HIS 44 -35.736 28.228 22.494 1062 HA HIS 44 HA HIS 44 -36.724 25.659 23.167 1063 HB2 HIS 44 HB2 HIS 44 -35.700 26.776 20.548 1064 HB3 HIS 44 HB3 HIS 44 -36.520 25.222 20.712 1065 HD1 HIS 44 HD1 HIS 44 -38.091 26.944 18.986 1066 HD2 HIS 44 HD2 HIS 44 -38.342 27.387 23.125 1067 HE1 HIS 44 HE1 HIS 44 -40.277 28.132 19.447 1068 HE2 HIS 44 HE2 HIS 44 -40.446 28.411 21.964 1069 H ILE 45 H ILE 45 -33.536 26.885 22.533 1070 HA ILE 45 HA ILE 45 -32.300 24.362 21.984 1071 HB ILE 45 HB ILE 45 -31.135 26.997 22.907 1072 HG12 ILE 45 HG12 ILE 45 -31.035 25.595 20.221 1073 HG13 ILE 45 HG13 ILE 45 -32.214 26.839 20.625 1074 HG21 ILE 45 HG21 ILE 45 -28.966 25.933 22.088 1075 HG22 ILE 45 HG22 ILE 45 -29.817 24.390 22.107 1076 HG23 ILE 45 HG23 ILE 45 -29.593 25.293 23.605 1077 HD11 ILE 45 HD11 ILE 45 -29.211 27.117 20.415 1078 HD12 ILE 45 HD12 ILE 45 -30.208 28.327 21.221 1079 HD13 ILE 45 HD13 ILE 45 -30.449 27.985 19.508 1080 H SER 46 H SER 46 -33.315 25.977 24.877 1081 HA SER 46 HA SER 46 -31.617 24.902 26.793 1082 HB2 SER 46 HB2 SER 46 -34.607 25.176 27.141 1083 HB3 SER 46 HB3 SER 46 -33.358 25.298 28.380 1084 HG SER 46 HG SER 46 -32.578 27.150 27.268 1085 H HIS 47 H HIS 47 -34.712 23.522 25.657 1086 HA HIS 47 HA HIS 47 -34.773 21.173 27.056 1087 HB2 HIS 47 HB2 HIS 47 -35.436 21.422 24.112 1088 HB3 HIS 47 HB3 HIS 47 -36.084 20.236 25.245 1089 HD1 HIS 47 HD1 HIS 47 -36.513 22.280 27.629 1090 HD2 HIS 47 HD2 HIS 47 -37.852 22.830 23.719 1091 HE1 HIS 47 HE1 HIS 47 -38.440 23.916 27.756 1092 HE2 HIS 47 HE2 HIS 47 -39.267 24.265 25.382 1093 H GLN 48 H GLN 48 -32.492 22.098 24.659 1094 HA GLN 48 HA GLN 48 -31.529 19.362 24.208 1095 HB2 GLN 48 HB2 GLN 48 -31.652 21.211 22.406 1096 HB3 GLN 48 HB3 GLN 48 -30.227 21.888 23.192 1097 HG2 GLN 48 HG2 GLN 48 -29.351 20.481 21.503 1098 HG3 GLN 48 HG3 GLN 48 -29.204 19.536 22.985 1099 HE21 GLN 48 HE21 GLN 48 -29.276 17.551 21.610 1100 HE22 GLN 48 HE22 GLN 48 -30.766 16.998 21.013 1101 H LEU 49 H LEU 49 -30.419 22.429 25.609 1102 HA LEU 49 HA LEU 49 -28.493 20.939 27.301 1103 HB2 LEU 49 HB2 LEU 49 -27.935 23.578 25.925 1104 HB3 LEU 49 HB3 LEU 49 -26.837 22.695 26.979 1105 HG LEU 49 HG LEU 49 -27.955 21.550 24.404 1106 HD11 LEU 49 HD11 LEU 49 -25.392 23.071 24.929 1107 HD12 LEU 49 HD12 LEU 49 -26.667 23.481 23.783 1108 HD13 LEU 49 HD13 LEU 49 -25.649 22.069 23.500 1109 HD21 LEU 49 HD21 LEU 49 -27.160 19.782 25.780 1110 HD22 LEU 49 HD22 LEU 49 -25.779 20.724 26.339 1111 HD23 LEU 49 HD23 LEU 49 -25.826 20.121 24.684 1112 H ASN 50 H ASN 50 -30.780 21.392 28.427 1113 HA ASN 50 HA ASN 50 -31.535 23.847 29.402 1114 HB2 ASN 50 HB2 ASN 50 -31.483 21.266 30.983 1115 HB3 ASN 50 HB3 ASN 50 -32.506 22.665 31.302 1116 HD21 ASN 50 HD21 ASN 50 -32.112 19.827 29.280 1117 HD22 ASN 50 HD22 ASN 50 -33.556 20.017 28.407 1118 H LEU 51 H LEU 51 -29.901 25.264 29.895 1119 HA LEU 51 HA LEU 51 -28.415 24.744 32.400 1120 HB2 LEU 51 HB2 LEU 51 -27.271 25.844 29.824 1121 HB3 LEU 51 HB3 LEU 51 -26.444 25.900 31.374 1122 HG LEU 51 HG LEU 51 -27.427 23.322 30.118 1123 HD11 LEU 51 HD11 LEU 51 -25.824 24.386 28.603 1124 HD12 LEU 51 HD12 LEU 51 -25.089 22.983 29.377 1125 HD13 LEU 51 HD13 LEU 51 -24.689 24.607 29.934 1126 HD21 LEU 51 HD21 LEU 51 -27.004 22.906 32.400 1127 HD22 LEU 51 HD22 LEU 51 -25.633 24.014 32.449 1128 HD23 LEU 51 HD23 LEU 51 -25.487 22.460 31.634 1129 H SER 52 H SER 52 -28.319 27.424 30.077 1130 HA SER 52 HA SER 52 -29.966 29.116 31.732 1131 HB2 SER 52 HB2 SER 52 -28.083 29.503 33.073 1132 HB3 SER 52 HB3 SER 52 -26.973 29.408 31.707 1133 HG SER 52 HG SER 52 -28.920 31.372 31.577 1134 H GLN 53 H GLN 53 -30.944 30.605 30.462 1135 HA GLN 53 HA GLN 53 -30.522 30.631 27.674 1136 HB2 GLN 53 HB2 GLN 53 -31.944 32.641 29.437 1137 HB3 GLN 53 HB3 GLN 53 -32.066 32.568 27.680 1138 HG2 GLN 53 HG2 GLN 53 -33.958 31.369 28.502 1139 HG3 GLN 53 HG3 GLN 53 -32.810 30.139 27.975 1140 HE21 GLN 53 HE21 GLN 53 -32.810 32.086 31.004 1141 HE22 GLN 53 HE22 GLN 53 -32.875 30.742 32.039 1142 H SER 54 H SER 54 -29.699 33.041 30.172 1143 HA SER 54 HA SER 54 -28.557 35.001 28.613 1144 HB2 SER 54 HB2 SER 54 -27.074 35.451 30.609 1145 HB3 SER 54 HB3 SER 54 -28.797 35.351 30.971 1146 HG SER 54 HG SER 54 -26.793 33.397 31.379 1147 H ASN 55 H ASN 55 -27.256 31.866 29.466 1148 HA ASN 55 HA ASN 55 -24.574 32.424 28.597 1149 HB2 ASN 55 HB2 ASN 55 -25.993 29.782 29.018 1150 HB3 ASN 55 HB3 ASN 55 -24.259 29.982 28.769 1151 HD21 ASN 55 HD21 ASN 55 -24.251 28.899 31.039 1152 HD22 ASN 55 HD22 ASN 55 -24.361 29.935 32.379 1153 H VAL 56 H VAL 56 -27.447 30.952 27.151 1154 HA VAL 56 HA VAL 56 -26.162 30.190 24.713 1155 HB VAL 56 HB VAL 56 -29.081 30.627 25.392 1156 HG11 VAL 56 HG11 VAL 56 -29.400 29.185 23.310 1157 HG12 VAL 56 HG12 VAL 56 -27.715 29.532 22.923 1158 HG13 VAL 56 HG13 VAL 56 -28.887 30.846 23.015 1159 HG21 VAL 56 HG21 VAL 56 -27.372 28.134 25.123 1160 HG22 VAL 56 HG22 VAL 56 -29.108 28.147 25.436 1161 HG23 VAL 56 HG23 VAL 56 -27.991 28.802 26.634 1162 H SER 57 H SER 57 -28.129 32.979 25.710 1163 HA SER 57 HA SER 57 -28.193 34.294 23.214 1164 HB2 SER 57 HB2 SER 57 -28.809 36.269 24.452 1165 HB3 SER 57 HB3 SER 57 -29.580 34.887 25.226 1166 HG SER 57 HG SER 57 -28.573 36.222 26.757 1167 H HIS 58 H HIS 58 -25.849 34.299 25.845 1168 HA HIS 58 HA HIS 58 -24.187 36.367 24.817 1169 HB2 HIS 58 HB2 HIS 58 -24.059 35.697 27.155 1170 HB3 HIS 58 HB3 HIS 58 -23.553 34.074 26.689 1171 HD1 HIS 58 HD1 HIS 58 -22.242 37.413 27.421 1172 HD2 HIS 58 HD2 HIS 58 -20.929 34.074 25.297 1173 HE1 HIS 58 HE1 HIS 58 -19.749 37.706 27.096 1174 HE2 HIS 58 HE2 HIS 58 -18.932 35.681 25.801 1175 H GLN 59 H GLN 59 -24.204 32.847 24.462 1176 HA GLN 59 HA GLN 59 -21.745 32.647 23.073 1177 HB2 GLN 59 HB2 GLN 59 -22.946 30.753 24.192 1178 HB3 GLN 59 HB3 GLN 59 -24.117 30.780 22.873 1179 HG2 GLN 59 HG2 GLN 59 -22.338 30.344 21.248 1180 HG3 GLN 59 HG3 GLN 59 -21.127 30.405 22.526 1181 HE21 GLN 59 HE21 GLN 59 -20.677 28.094 21.714 1182 HE22 GLN 59 HE22 GLN 59 -21.621 26.840 22.358 1183 H LEU 60 H LEU 60 -25.062 32.296 21.753 1184 HA LEU 60 HA LEU 60 -24.475 32.143 19.097 1185 HB2 LEU 60 HB2 LEU 60 -26.738 33.755 20.291 1186 HB3 LEU 60 HB3 LEU 60 -26.678 33.130 18.648 1187 HG LEU 60 HG LEU 60 -26.447 31.336 21.076 1188 HD11 LEU 60 HD11 LEU 60 -28.922 32.229 19.578 1189 HD12 LEU 60 HD12 LEU 60 -28.579 32.441 21.294 1190 HD13 LEU 60 HD13 LEU 60 -28.884 30.828 20.648 1191 HD21 LEU 60 HD21 LEU 60 -27.397 29.681 19.346 1192 HD22 LEU 60 HD22 LEU 60 -25.723 30.178 19.136 1193 HD23 LEU 60 HD23 LEU 60 -26.987 30.889 18.133 1194 H LYS 61 H LYS 61 -24.212 34.987 21.112 1195 HA LYS 61 HA LYS 61 -24.117 36.882 18.977 1196 HB2 LYS 61 HB2 LYS 61 -23.250 36.958 21.867 1197 HB3 LYS 61 HB3 LYS 61 -22.975 38.320 20.781 1198 HG2 LYS 61 HG2 LYS 61 -25.330 38.566 20.362 1199 HG3 LYS 61 HG3 LYS 61 -25.693 37.050 21.185 1200 HD2 LYS 61 HD2 LYS 61 -26.215 38.895 22.681 1201 HD3 LYS 61 HD3 LYS 61 -24.806 38.040 23.303 1202 HE2 LYS 61 HE2 LYS 61 -23.321 39.742 22.612 1203 HE3 LYS 61 HE3 LYS 61 -24.496 40.440 21.496 1204 HZ1 LYS 61 HZ1 LYS 61 -25.862 41.047 23.415 1205 HZ2 LYS 61 HZ2 LYS 61 -24.332 41.782 23.468 1206 HZ3 LYS 61 HZ3 LYS 61 -24.668 40.444 24.460 1207 H LEU 62 H LEU 62 -21.673 34.975 20.681 1208 HA LEU 62 HA LEU 62 -19.403 36.263 19.589 1209 HB2 LEU 62 HB2 LEU 62 -19.532 33.332 20.290 1210 HB3 LEU 62 HB3 LEU 62 -18.144 34.415 20.377 1211 HG LEU 62 HG LEU 62 -20.618 34.474 22.124 1212 HD11 LEU 62 HD11 LEU 62 -17.678 34.036 22.736 1213 HD12 LEU 62 HD12 LEU 62 -18.918 32.783 22.711 1214 HD13 LEU 62 HD13 LEU 62 -18.981 34.060 23.925 1215 HD21 LEU 62 HD21 LEU 62 -18.345 36.441 21.796 1216 HD22 LEU 62 HD22 LEU 62 -19.278 36.345 23.289 1217 HD23 LEU 62 HD23 LEU 62 -20.079 36.763 21.776 1218 H LEU 63 H LEU 63 -21.488 33.689 18.395 1219 HA LEU 63 HA LEU 63 -19.822 32.946 16.197 1220 HB2 LEU 63 HB2 LEU 63 -22.735 32.522 16.858 1221 HB3 LEU 63 HB3 LEU 63 -22.062 31.990 15.320 1222 HG LEU 63 HG LEU 63 -20.426 30.595 16.468 1223 HD11 LEU 63 HD11 LEU 63 -20.747 30.354 19.021 1224 HD12 LEU 63 HD12 LEU 63 -21.599 31.896 18.930 1225 HD13 LEU 63 HD13 LEU 63 -19.906 31.792 18.447 1226 HD21 LEU 63 HD21 LEU 63 -23.184 30.194 17.665 1227 HD22 LEU 63 HD22 LEU 63 -21.952 28.954 17.428 1228 HD23 LEU 63 HD23 LEU 63 -22.723 29.709 16.034 1229 H LYS 64 H LYS 64 -22.113 35.490 16.766 1230 HA LYS 64 HA LYS 64 -22.817 36.124 14.116 1231 HB2 LYS 64 HB2 LYS 64 -23.832 37.046 16.265 1232 HB3 LYS 64 HB3 LYS 64 -22.450 38.140 16.336 1233 HG2 LYS 64 HG2 LYS 64 -23.055 38.804 13.930 1234 HG3 LYS 64 HG3 LYS 64 -24.584 37.971 14.202 1235 HD2 LYS 64 HD2 LYS 64 -23.506 40.200 15.954 1236 HD3 LYS 64 HD3 LYS 64 -24.708 40.422 14.685 1237 HE2 LYS 64 HE2 LYS 64 -26.014 40.187 16.628 1238 HE3 LYS 64 HE3 LYS 64 -26.048 38.568 15.933 1239 HZ1 LYS 64 HZ1 LYS 64 -25.322 37.917 17.920 1240 HZ2 LYS 64 HZ2 LYS 64 -24.876 39.488 18.388 1241 HZ3 LYS 64 HZ3 LYS 64 -23.812 38.543 17.460 1242 H SER 65 H SER 65 -20.135 37.262 16.152 1243 HA SER 65 HA SER 65 -19.048 39.163 14.436 1244 HB2 SER 65 HB2 SER 65 -18.200 38.965 16.672 1245 HB3 SER 65 HB3 SER 65 -17.709 37.293 16.398 1246 HG SER 65 HG SER 65 -16.558 38.623 14.507 1247 H VAL 66 H VAL 66 -18.699 35.655 14.431 1248 HA VAL 66 HA VAL 66 -16.658 35.615 12.415 1249 HB VAL 66 HB VAL 66 -18.500 33.320 13.087 1250 HG11 VAL 66 HG11 VAL 66 -16.380 32.035 12.735 1251 HG12 VAL 66 HG12 VAL 66 -15.580 33.541 12.290 1252 HG13 VAL 66 HG13 VAL 66 -16.894 32.913 11.296 1253 HG21 VAL 66 HG21 VAL 66 -17.851 34.215 15.230 1254 HG22 VAL 66 HG22 VAL 66 -16.185 34.431 14.694 1255 HG23 VAL 66 HG23 VAL 66 -16.836 32.807 14.919 1256 H HIS 67 H HIS 67 -19.776 36.544 12.245 1257 HA HIS 67 HA HIS 67 -21.211 36.946 10.508 1258 HB2 HIS 67 HB2 HIS 67 -19.118 35.899 8.611 1259 HB3 HIS 67 HB3 HIS 67 -20.336 37.143 8.334 1260 HD1 HIS 67 HD1 HIS 67 -16.977 36.582 9.885 1261 HD2 HIS 67 HD2 HIS 67 -19.706 39.705 9.455 1262 HE1 HIS 67 HE1 HIS 67 -15.760 38.694 10.565 1263 HE2 HIS 67 HE2 HIS 67 -17.407 40.607 10.309 1264 H LEU 68 H LEU 68 -20.580 34.080 11.648 1265 HA LEU 68 HA LEU 68 -21.556 32.346 9.560 1266 HB2 LEU 68 HB2 LEU 68 -21.207 31.924 12.534 1267 HB3 LEU 68 HB3 LEU 68 -21.689 30.660 11.412 1268 HG LEU 68 HG LEU 68 -19.148 32.281 11.090 1269 HD11 LEU 68 HD11 LEU 68 -19.499 29.566 12.392 1270 HD12 LEU 68 HD12 LEU 68 -19.133 31.065 13.245 1271 HD13 LEU 68 HD13 LEU 68 -17.964 30.387 12.112 1272 HD21 LEU 68 HD21 LEU 68 -20.286 29.819 9.771 1273 HD22 LEU 68 HD22 LEU 68 -18.545 30.073 9.817 1274 HD23 LEU 68 HD23 LEU 68 -19.580 31.252 9.027 1275 H VAL 69 H VAL 69 -23.091 31.674 12.498 1276 HA VAL 69 HA VAL 69 -25.637 31.470 11.576 1277 HB VAL 69 HB VAL 69 -26.408 31.634 13.855 1278 HG11 VAL 69 HG11 VAL 69 -24.857 29.738 13.160 1279 HG12 VAL 69 HG12 VAL 69 -24.945 30.043 14.895 1280 HG13 VAL 69 HG13 VAL 69 -23.559 30.618 13.968 1281 HG21 VAL 69 HG21 VAL 69 -23.819 33.143 14.272 1282 HG22 VAL 69 HG22 VAL 69 -24.739 32.458 15.612 1283 HG23 VAL 69 HG23 VAL 69 -25.461 33.701 14.592 1284 H LYS 70 H LYS 70 -27.548 32.775 11.756 1285 HA LYS 70 HA LYS 70 -27.220 35.673 12.042 1286 HB2 LYS 70 HB2 LYS 70 -28.479 35.947 9.823 1287 HB3 LYS 70 HB3 LYS 70 -26.773 35.508 9.716 1288 HG2 LYS 70 HG2 LYS 70 -27.294 33.215 9.283 1289 HG3 LYS 70 HG3 LYS 70 -28.986 33.445 9.721 1290 HD2 LYS 70 HD2 LYS 70 -28.620 33.349 7.246 1291 HD3 LYS 70 HD3 LYS 70 -29.348 34.863 7.778 1292 HE2 LYS 70 HE2 LYS 70 -27.331 36.064 7.508 1293 HE3 LYS 70 HE3 LYS 70 -26.353 34.595 7.483 1294 HZ1 LYS 70 HZ1 LYS 70 -28.320 35.387 5.404 1295 HZ2 LYS 70 HZ2 LYS 70 -27.348 33.995 5.378 1296 HZ3 LYS 70 HZ3 LYS 70 -26.634 35.531 5.268 1297 H ALA 71 H ALA 71 -29.447 36.734 11.707 1298 HA ALA 71 HA ALA 71 -31.730 35.024 12.315 1299 HB1 ALA 71 HB1 ALA 71 -32.249 36.329 14.395 1300 HB2 ALA 71 HB2 ALA 71 -30.633 37.029 14.300 1301 HB3 ALA 71 HB3 ALA 71 -30.831 35.292 14.539 1302 H LYS 72 H LYS 72 -33.523 35.849 11.478 1303 HA LYS 72 HA LYS 72 -33.525 38.670 10.544 1304 HB2 LYS 72 HB2 LYS 72 -34.970 36.217 9.525 1305 HB3 LYS 72 HB3 LYS 72 -35.294 37.858 8.967 1306 HG2 LYS 72 HG2 LYS 72 -33.115 38.095 8.052 1307 HG3 LYS 72 HG3 LYS 72 -32.507 36.690 8.925 1308 HD2 LYS 72 HD2 LYS 72 -32.899 36.165 6.540 1309 HD3 LYS 72 HD3 LYS 72 -33.950 35.216 7.588 1310 HE2 LYS 72 HE2 LYS 72 -34.880 37.846 6.433 1311 HE3 LYS 72 HE3 LYS 72 -35.013 36.350 5.513 1312 HZ1 LYS 72 HZ1 LYS 72 -36.581 37.263 7.713 1313 HZ2 LYS 72 HZ2 LYS 72 -35.954 35.711 7.995 1314 HZ3 LYS 72 HZ3 LYS 72 -36.894 36.011 6.612 1315 H ARG 73 H ARG 73 -35.627 39.742 10.559 1316 HA ARG 73 HA ARG 73 -37.087 39.214 13.049 1317 HB2 ARG 73 HB2 ARG 73 -37.006 41.514 11.094 1318 HB3 ARG 73 HB3 ARG 73 -38.235 41.410 12.353 1319 HG2 ARG 73 HG2 ARG 73 -36.334 42.755 13.127 1320 HG3 ARG 73 HG3 ARG 73 -36.461 41.271 14.068 1321 HD2 ARG 73 HD2 ARG 73 -34.614 40.283 12.986 1322 HD3 ARG 73 HD3 ARG 73 -34.687 41.409 11.632 1323 HE ARG 73 HE ARG 73 -33.296 41.815 14.094 1324 HH11 ARG 73 HH21 ARG 73 -35.130 43.368 11.606 1325 HH12 ARG 73 HH22 ARG 73 -34.399 44.921 11.843 1326 HH21 ARG 73 HH11 ARG 73 -32.331 43.847 14.413 1327 HH22 ARG 73 HH12 ARG 73 -32.816 45.193 13.435 1328 H GLN 74 H GLN 74 -38.956 38.142 13.065 1329 HA GLN 74 HA GLN 74 -40.809 38.305 10.814 1330 HB2 GLN 74 HB2 GLN 74 -39.568 35.689 11.703 1331 HB3 GLN 74 HB3 GLN 74 -40.975 35.822 10.649 1332 HG2 GLN 74 HG2 GLN 74 -39.514 37.296 9.142 1333 HG3 GLN 74 HG3 GLN 74 -38.146 36.734 10.101 1334 HE21 GLN 74 HE21 GLN 74 -39.594 36.100 7.237 1335 HE22 GLN 74 HE22 GLN 74 -39.328 34.427 7.127 1336 H GLY 75 H GLY 75 -42.285 39.236 12.205 1337 HA2 GLY 75 HA2 GLY 75 -44.189 39.068 13.514 1338 HA3 GLY 75 HA3 GLY 75 -43.796 37.378 13.806 1339 H GLN 76 H GLN 76 -41.470 39.918 14.408 1340 HA GLN 76 HA GLN 76 -40.596 40.809 16.318 1341 HB2 GLN 76 HB2 GLN 76 -43.143 41.005 16.891 1342 HB3 GLN 76 HB3 GLN 76 -42.838 39.647 17.969 1343 HG2 GLN 76 HG2 GLN 76 -41.059 40.930 19.093 1344 HG3 GLN 76 HG3 GLN 76 -41.353 42.289 18.010 1345 HE21 GLN 76 HE21 GLN 76 -43.084 40.216 20.398 1346 HE22 GLN 76 HE22 GLN 76 -44.129 41.446 20.922 1347 H SER 77 H SER 77 -40.416 37.903 15.386 1348 HA SER 77 HA SER 77 -39.095 36.821 17.820 1349 HB2 SER 77 HB2 SER 77 -40.970 35.424 17.549 1350 HB3 SER 77 HB3 SER 77 -40.853 35.458 15.790 1351 HG SER 77 HG SER 77 -38.902 34.341 17.517 1352 H MET 78 H MET 78 -37.029 36.263 17.568 1353 HA MET 78 HA MET 78 -35.755 36.672 14.983 1354 HB2 MET 78 HB2 MET 78 -33.671 36.058 16.411 1355 HB3 MET 78 HB3 MET 78 -34.493 37.579 16.735 1356 HG2 MET 78 HG2 MET 78 -35.317 35.110 18.249 1357 HG3 MET 78 HG3 MET 78 -33.881 36.006 18.740 1358 HE1 MET 78 HE1 MET 78 -36.282 37.247 21.411 1359 HE2 MET 78 HE2 MET 78 -34.721 36.533 21.010 1360 HE3 MET 78 HE3 MET 78 -36.204 35.622 20.727 1361 H ILE 79 H ILE 79 -35.823 35.078 13.556 1362 HA ILE 79 HA ILE 79 -35.852 32.267 14.414 1363 HB ILE 79 HB ILE 79 -35.993 33.335 11.596 1364 HG12 ILE 79 HG12 ILE 79 -37.763 34.452 12.792 1365 HG13 ILE 79 HG13 ILE 79 -38.489 33.120 11.896 1366 HG21 ILE 79 HG21 ILE 79 -35.561 30.915 11.912 1367 HG22 ILE 79 HG22 ILE 79 -37.141 31.206 11.186 1368 HG23 ILE 79 HG23 ILE 79 -37.019 30.796 12.897 1369 HD11 ILE 79 HD11 ILE 79 -39.451 32.962 14.053 1370 HD12 ILE 79 HD12 ILE 79 -37.916 33.297 14.855 1371 HD13 ILE 79 HD13 ILE 79 -38.178 31.743 14.065 1372 H TYR 80 H TYR 80 -34.026 31.165 14.566 1373 HA TYR 80 HA TYR 80 -31.578 32.130 13.241 1374 HB2 TYR 80 HB2 TYR 80 -32.069 30.074 15.405 1375 HB3 TYR 80 HB3 TYR 80 -30.487 30.408 14.705 1376 HD1 TYR 80 HD1 TYR 80 -33.337 31.950 16.541 1377 HD2 TYR 80 HD2 TYR 80 -29.217 32.310 15.378 1378 HE1 TYR 80 HE1 TYR 80 -33.073 33.880 18.075 1379 HE2 TYR 80 HE2 TYR 80 -28.954 34.243 16.910 1380 HH TYR 80 HH TYR 80 -31.219 36.034 18.015 1381 H SER 81 H SER 81 -30.666 31.102 11.573 1382 HA SER 81 HA SER 81 -31.555 28.362 10.858 1383 HB2 SER 81 HB2 SER 81 -31.391 29.121 8.457 1384 HB3 SER 81 HB3 SER 81 -32.741 29.811 9.358 1385 HG SER 81 HG SER 81 -30.499 31.014 8.312 1386 H LEU 82 H LEU 82 -30.031 27.240 9.457 1387 HA LEU 82 HA LEU 82 -27.335 27.633 10.380 1388 HB2 LEU 82 HB2 LEU 82 -28.469 25.391 9.972 1389 HB3 LEU 82 HB3 LEU 82 -28.289 25.715 8.253 1390 HG LEU 82 HG LEU 82 -25.760 26.124 8.851 1391 HD11 LEU 82 HD11 LEU 82 -26.723 24.489 11.218 1392 HD12 LEU 82 HD12 LEU 82 -25.893 26.045 11.267 1393 HD13 LEU 82 HD13 LEU 82 -25.037 24.606 10.725 1394 HD21 LEU 82 HD21 LEU 82 -26.958 23.340 8.916 1395 HD22 LEU 82 HD22 LEU 82 -25.283 23.730 8.526 1396 HD23 LEU 82 HD23 LEU 82 -26.584 24.263 7.460 1397 H ASP 83 H ASP 83 -27.443 29.893 9.299 1398 HA ASP 83 HA ASP 83 -26.705 31.328 7.660 1399 HB2 ASP 83 HB2 ASP 83 -24.938 28.918 7.201 1400 HB3 ASP 83 HB3 ASP 83 -24.683 30.477 6.421 1401 H ASP 84 H ASP 84 -26.021 28.485 5.722 1402 HA ASP 84 HA ASP 84 -28.332 28.965 3.970 1403 HB2 ASP 84 HB2 ASP 84 -25.526 28.993 2.854 1404 HB3 ASP 84 HB3 ASP 84 -27.032 29.367 2.017 1405 H ILE 85 H ILE 85 -28.348 27.375 2.139 1406 HA ILE 85 HA ILE 85 -28.248 24.751 3.143 1407 HB ILE 85 HB ILE 85 -28.550 24.115 0.695 1408 HG12 ILE 85 HG12 ILE 85 -28.702 27.122 0.346 1409 HG13 ILE 85 HG13 ILE 85 -27.298 26.163 -0.126 1410 HG21 ILE 85 HG21 ILE 85 -30.374 26.254 1.840 1411 HG22 ILE 85 HG22 ILE 85 -30.437 24.540 2.246 1412 HG23 ILE 85 HG23 ILE 85 -30.813 25.071 0.607 1413 HD11 ILE 85 HD11 ILE 85 -30.128 25.862 -1.174 1414 HD12 ILE 85 HD12 ILE 85 -28.800 24.770 -1.568 1415 HD13 ILE 85 HD13 ILE 85 -28.732 26.459 -2.071 1416 H HIS 86 H HIS 86 -25.700 26.684 2.346 1417 HA HIS 86 HA HIS 86 -24.008 24.848 0.949 1418 HB2 HIS 86 HB2 HIS 86 -23.294 27.259 2.639 1419 HB3 HIS 86 HB3 HIS 86 -22.204 26.418 1.537 1420 HD1 HIS 86 HD1 HIS 86 -23.921 29.399 1.515 1421 HD2 HIS 86 HD2 HIS 86 -23.977 26.191 -1.150 1422 HE1 HIS 86 HE1 HIS 86 -24.797 30.308 -0.679 1423 HE2 HIS 86 HE2 HIS 86 -24.844 28.365 -2.313 1424 H VAL 87 H VAL 87 -23.202 26.200 4.117 1425 HA VAL 87 HA VAL 87 -21.596 24.190 5.024 1426 HB VAL 87 HB VAL 87 -23.550 25.791 6.697 1427 HG11 VAL 87 HG11 VAL 87 -21.022 24.260 7.361 1428 HG12 VAL 87 HG12 VAL 87 -22.639 23.991 8.012 1429 HG13 VAL 87 HG13 VAL 87 -21.747 25.450 8.445 1430 HG21 VAL 87 HG21 VAL 87 -22.151 27.231 5.301 1431 HG22 VAL 87 HG22 VAL 87 -20.707 26.350 5.798 1432 HG23 VAL 87 HG23 VAL 87 -21.597 27.318 6.973 1433 H ALA 88 H ALA 88 -25.013 24.074 4.609 1434 HA ALA 88 HA ALA 88 -25.736 22.095 6.462 1435 HB1 ALA 88 HB1 ALA 88 -27.666 21.703 5.052 1436 HB2 ALA 88 HB2 ALA 88 -26.867 22.469 3.679 1437 HB3 ALA 88 HB3 ALA 88 -27.331 23.434 5.080 1438 H THR 89 H THR 89 -25.061 21.635 2.980 1439 HA THR 89 HA THR 89 -24.950 18.823 3.098 1440 HB THR 89 HB THR 89 -25.243 19.782 0.954 1441 HG1 THR 89 HG1 THR 89 -23.750 18.007 1.057 1442 HG21 THR 89 HG21 THR 89 -24.432 21.996 1.237 1443 HG22 THR 89 HG22 THR 89 -23.382 21.286 0.011 1444 HG23 THR 89 HG23 THR 89 -22.817 21.435 1.675 1445 H MET 90 H MET 90 -22.574 21.288 3.780 1446 HA MET 90 HA MET 90 -20.239 19.702 3.626 1447 HB2 MET 90 HB2 MET 90 -20.332 22.220 3.823 1448 HB3 MET 90 HB3 MET 90 -20.713 22.003 5.532 1449 HG2 MET 90 HG2 MET 90 -18.622 20.814 5.897 1450 HG3 MET 90 HG3 MET 90 -18.259 20.854 4.171 1451 HE1 MET 90 HE1 MET 90 -16.340 22.197 3.609 1452 HE2 MET 90 HE2 MET 90 -15.928 21.723 5.256 1453 HE3 MET 90 HE3 MET 90 -15.632 23.374 4.716 1454 H LEU 91 H LEU 91 -22.595 20.251 6.193 1455 HA LEU 91 HA LEU 91 -21.246 19.002 8.308 1456 HB2 LEU 91 HB2 LEU 91 -23.538 20.326 8.166 1457 HB3 LEU 91 HB3 LEU 91 -24.231 18.719 8.003 1458 HG LEU 91 HG LEU 91 -22.521 19.747 10.285 1459 HD11 LEU 91 HD11 LEU 91 -25.340 18.648 10.314 1460 HD12 LEU 91 HD12 LEU 91 -24.987 20.368 10.135 1461 HD13 LEU 91 HD13 LEU 91 -24.505 19.515 11.602 1462 HD21 LEU 91 HD21 LEU 91 -23.141 17.425 11.254 1463 HD22 LEU 91 HD22 LEU 91 -21.853 17.491 10.054 1464 HD23 LEU 91 HD23 LEU 91 -23.471 16.967 9.582 1465 H LYS 92 H LYS 92 -23.500 17.658 5.903 1466 HA LYS 92 HA LYS 92 -23.366 14.978 6.826 1467 HB2 LYS 92 HB2 LYS 92 -25.112 15.961 5.277 1468 HB3 LYS 92 HB3 LYS 92 -23.912 15.868 3.989 1469 HG2 LYS 92 HG2 LYS 92 -23.659 13.410 4.528 1470 HG3 LYS 92 HG3 LYS 92 -25.041 13.572 5.612 1471 HD2 LYS 92 HD2 LYS 92 -26.419 14.377 3.721 1472 HD3 LYS 92 HD3 LYS 92 -25.040 14.181 2.639 1473 HE2 LYS 92 HE2 LYS 92 -26.549 12.229 2.510 1474 HE3 LYS 92 HE3 LYS 92 -24.974 11.769 3.156 1475 HZ1 LYS 92 HZ1 LYS 92 -26.935 10.882 4.395 1476 HZ2 LYS 92 HZ2 LYS 92 -27.285 12.474 4.870 1477 HZ3 LYS 92 HZ3 LYS 92 -25.825 11.748 5.344 1478 H GLN 93 H GLN 93 -21.810 16.531 4.015 1479 HA GLN 93 HA GLN 93 -20.316 14.466 3.051 1480 HB2 GLN 93 HB2 GLN 93 -20.387 16.693 2.017 1481 HB3 GLN 93 HB3 GLN 93 -19.408 17.341 3.333 1482 HG2 GLN 93 HG2 GLN 93 -17.530 15.976 2.717 1483 HG3 GLN 93 HG3 GLN 93 -18.504 15.044 1.581 1484 HE21 GLN 93 HE21 GLN 93 -19.522 18.229 1.340 1485 HE22 GLN 93 HE22 GLN 93 -18.546 18.719 0.041 1486 H ALA 94 H ALA 94 -19.746 16.247 6.011 1487 HA ALA 94 HA ALA 94 -17.032 15.438 6.361 1488 HB1 ALA 94 HB1 ALA 94 -19.085 16.369 8.384 1489 HB2 ALA 94 HB2 ALA 94 -17.936 17.392 7.522 1490 HB3 ALA 94 HB3 ALA 94 -17.357 16.205 8.692 1491 H ILE 95 H ILE 95 -19.894 14.490 8.272 1492 HA ILE 95 HA ILE 95 -18.724 12.309 9.542 1493 HB ILE 95 HB ILE 95 -20.833 13.221 10.301 1494 HG12 ILE 95 HG12 ILE 95 -21.426 10.441 9.265 1495 HG13 ILE 95 HG13 ILE 95 -20.296 10.733 10.588 1496 HG21 ILE 95 HG21 ILE 95 -21.758 13.897 8.146 1497 HG22 ILE 95 HG22 ILE 95 -22.905 12.836 8.966 1498 HG23 ILE 95 HG23 ILE 95 -21.908 12.211 7.651 1499 HD11 ILE 95 HD11 ILE 95 -22.084 11.907 11.839 1500 HD12 ILE 95 HD12 ILE 95 -22.539 10.244 11.472 1501 HD13 ILE 95 HD13 ILE 95 -23.211 11.571 10.526 1502 H HIS 96 H HIS 96 -19.548 12.649 6.265 1503 HA HIS 96 HA HIS 96 -20.195 9.943 5.647 1504 HB2 HIS 96 HB2 HIS 96 -20.705 11.858 4.146 1505 HB3 HIS 96 HB3 HIS 96 -18.978 12.047 3.841 1506 HD1 HIS 96 HD1 HIS 96 -17.792 9.698 2.945 1507 HD2 HIS 96 HD2 HIS 96 -21.903 10.101 2.382 1508 HE1 HIS 96 HE1 HIS 96 -18.442 7.996 1.188 1509 HE2 HIS 96 HE2 HIS 96 -20.945 8.227 0.831 1510 H HIS 97 H HIS 97 -17.190 11.800 5.081 1511 HA HIS 97 HA HIS 97 -15.626 9.597 4.303 1512 HB2 HIS 97 HB2 HIS 97 -15.014 12.006 3.979 1513 HB3 HIS 97 HB3 HIS 97 -14.647 12.095 5.703 1514 HD1 HIS 97 HD1 HIS 97 -13.329 10.823 2.466 1515 HD2 HIS 97 HD2 HIS 97 -12.371 10.488 6.510 1516 HE1 HIS 97 HE1 HIS 97 -11.007 9.826 2.570 1517 HE2 HIS 97 HE2 HIS 97 -10.405 9.615 5.028 1518 H ALA 98 H ALA 98 -16.732 10.614 7.403 1519 HA ALA 98 HA ALA 98 -14.706 9.429 9.013 1520 HB1 ALA 98 HB1 ALA 98 -16.383 11.118 9.812 1521 HB2 ALA 98 HB2 ALA 98 -16.255 9.695 10.845 1522 HB3 ALA 98 HB3 ALA 98 -17.614 9.857 9.733 1523 H ASN 99 H ASN 99 -18.075 8.314 8.903 1524 HA ASN 99 HA ASN 99 -17.242 5.580 9.383 1525 HB2 ASN 99 HB2 ASN 99 -19.725 5.144 9.246 1526 HB3 ASN 99 HB3 ASN 99 -19.249 6.308 10.482 1527 HD21 ASN 99 HD21 ASN 99 -18.990 7.509 7.253 1528 HD22 ASN 99 HD22 ASN 99 -20.416 8.429 7.252 1529 H HIS 100 H HIS 100 -15.954 5.689 7.278 1530 HA HIS 100 HA HIS 100 -17.406 5.605 4.818 1531 HB2 HIS 100 HB2 HIS 100 -14.956 6.275 5.154 1532 HB3 HIS 100 HB3 HIS 100 -14.607 4.549 5.225 1533 HD1 HIS 100 HD1 HIS 100 -15.811 7.228 2.876 1534 HD2 HIS 100 HD2 HIS 100 -14.827 3.179 2.752 1535 HE1 HIS 100 HE1 HIS 100 -15.682 6.600 0.429 1536 HE2 HIS 100 HE2 HIS 100 -15.079 4.135 0.333 1537 HA PRO 101 HA PRO 101 -16.358 0.806 5.409 1538 HB2 PRO 101 HB2 PRO 101 -17.525 0.771 8.187 1539 HB3 PRO 101 HB3 PRO 101 -16.261 -0.259 7.489 1540 HG2 PRO 101 HG2 PRO 101 -15.602 1.706 9.121 1541 HG3 PRO 101 HG3 PRO 101 -14.643 1.416 7.659 1542 HD2 PRO 101 HD2 PRO 101 -16.704 3.548 8.177 1543 HD3 PRO 101 HD3 PRO 101 -15.156 3.675 7.313 1544 H LYS 102 H LYS 102 -17.915 -0.083 4.193 1545 HA LYS 102 HA LYS 102 -20.607 0.856 4.221 1546 HB2 LYS 102 HB2 LYS 102 -19.371 -1.563 2.886 1547 HB3 LYS 102 HB3 LYS 102 -21.001 -0.964 2.580 1548 HG2 LYS 102 HG2 LYS 102 -20.182 1.099 1.688 1549 HG3 LYS 102 HG3 LYS 102 -18.555 0.786 2.280 1550 HD2 LYS 102 HD2 LYS 102 -18.494 0.318 -0.058 1551 HD3 LYS 102 HD3 LYS 102 -18.516 -1.250 0.739 1552 HE2 LYS 102 HE2 LYS 102 -20.087 -1.100 -1.204 1553 HE3 LYS 102 HE3 LYS 102 -20.898 -1.491 0.309 1554 HZ1 LYS 102 HZ1 LYS 102 -20.721 1.315 -0.030 1555 HZ2 LYS 102 HZ2 LYS 102 -22.102 0.346 0.154 1556 HZ3 LYS 102 HZ3 LYS 102 -21.451 0.612 -1.392 1557 H GLU 103 H GLU 103 -19.330 -2.419 4.855 1558 HA GLU 103 HA GLU 103 -21.192 -2.755 7.092 1559 HB2 GLU 103 HB2 GLU 103 -21.255 -4.445 4.583 1560 HB3 GLU 103 HB3 GLU 103 -21.976 -4.944 6.112 1561 HG2 GLU 103 HG2 GLU 103 -23.309 -2.800 6.084 1562 HG3 GLU 103 HG3 GLU 103 -22.703 -2.514 4.455 Start of MODEL 16 1 H ASN 9 H ASN 9 -23.486 7.918 20.803 2 HA ASN 9 HA ASN 9 -21.577 6.373 19.693 3 HB2 ASN 9 HB2 ASN 9 -23.001 6.587 17.560 4 HB3 ASN 9 HB3 ASN 9 -22.506 8.279 17.540 5 HD21 ASN 9 HD21 ASN 9 -19.804 7.611 18.703 6 HD22 ASN 9 HD22 ASN 9 -18.935 6.896 17.433 7 H THR 10 H THR 10 -20.482 7.427 21.324 8 HA THR 10 HA THR 10 -20.296 10.342 21.359 9 HB THR 10 HB THR 10 -20.458 9.058 23.473 10 HG1 THR 10 HG1 THR 10 -19.432 10.994 23.634 11 HG21 THR 10 HG21 THR 10 -18.718 7.589 24.182 12 HG22 THR 10 HG22 THR 10 -17.659 8.090 22.864 13 HG23 THR 10 HG23 THR 10 -19.088 7.113 22.524 14 H ASP 11 H ASP 11 -18.692 7.735 19.899 15 HA ASP 11 HA ASP 11 -16.030 8.812 19.900 16 HB2 ASP 11 HB2 ASP 11 -16.684 6.370 19.568 17 HB3 ASP 11 HB3 ASP 11 -17.162 6.821 17.933 18 H THR 12 H THR 12 -18.790 8.893 17.695 19 HA THR 12 HA THR 12 -17.592 9.959 15.429 20 HB THR 12 HB THR 12 -20.333 10.619 16.538 21 HG1 THR 12 HG1 THR 12 -20.152 8.835 14.506 22 HG21 THR 12 HG21 THR 12 -20.819 10.907 14.055 23 HG22 THR 12 HG22 THR 12 -19.074 10.883 13.798 24 HG23 THR 12 HG23 THR 12 -19.804 12.156 14.777 25 H LEU 13 H LEU 13 -19.422 11.907 17.797 26 HA LEU 13 HA LEU 13 -18.674 14.410 16.963 27 HB2 LEU 13 HB2 LEU 13 -19.263 13.329 19.715 28 HB3 LEU 13 HB3 LEU 13 -18.896 15.034 19.468 29 HG LEU 13 HG LEU 13 -20.741 15.161 17.802 30 HD11 LEU 13 HD11 LEU 13 -21.053 12.264 18.601 31 HD12 LEU 13 HD12 LEU 13 -20.951 12.949 16.980 32 HD13 LEU 13 HD13 LEU 13 -22.403 13.188 17.946 33 HD21 LEU 13 HD21 LEU 13 -21.509 14.090 20.535 34 HD22 LEU 13 HD22 LEU 13 -22.579 14.994 19.462 35 HD23 LEU 13 HD23 LEU 13 -21.151 15.773 20.143 36 H GLU 14 H GLU 14 -16.804 12.128 18.875 37 HA GLU 14 HA GLU 14 -14.709 13.978 19.532 38 HB2 GLU 14 HB2 GLU 14 -15.301 11.765 20.716 39 HB3 GLU 14 HB3 GLU 14 -14.424 10.973 19.409 40 HG2 GLU 14 HG2 GLU 14 -13.252 13.154 21.161 41 HG3 GLU 14 HG3 GLU 14 -13.016 11.431 21.435 42 H ARG 15 H ARG 15 -15.343 11.684 16.952 43 HA ARG 15 HA ARG 15 -12.740 11.897 15.754 44 HB2 ARG 15 HB2 ARG 15 -14.368 9.952 15.504 45 HB3 ARG 15 HB3 ARG 15 -15.275 10.980 14.394 46 HG2 ARG 15 HG2 ARG 15 -13.327 11.208 12.947 47 HG3 ARG 15 HG3 ARG 15 -12.337 10.295 14.085 48 HD2 ARG 15 HD2 ARG 15 -14.809 9.199 12.714 49 HD3 ARG 15 HD3 ARG 15 -13.161 8.918 12.158 50 HE ARG 15 HE ARG 15 -13.201 8.146 14.820 51 HH11 ARG 15 HH21 ARG 15 -14.840 7.345 11.880 52 HH12 ARG 15 HH22 ARG 15 -15.111 5.691 12.319 53 HH21 ARG 15 HH11 ARG 15 -13.544 5.977 15.400 54 HH22 ARG 15 HH12 ARG 15 -14.372 4.915 14.311 55 H VAL 16 H VAL 16 -15.966 13.135 14.869 56 HA VAL 16 HA VAL 16 -15.310 14.547 12.588 57 HB VAL 16 HB VAL 16 -17.271 15.398 14.733 58 HG11 VAL 16 HG11 VAL 16 -18.433 16.439 12.760 59 HG12 VAL 16 HG12 VAL 16 -17.013 16.059 11.785 60 HG13 VAL 16 HG13 VAL 16 -16.879 17.182 13.137 61 HG21 VAL 16 HG21 VAL 16 -18.903 14.085 13.514 62 HG22 VAL 16 HG22 VAL 16 -17.531 13.039 13.883 63 HG23 VAL 16 HG23 VAL 16 -17.724 13.702 12.261 64 H THR 17 H THR 17 -14.940 15.519 15.966 65 HA THR 17 HA THR 17 -14.161 18.203 15.439 66 HB THR 17 HB THR 17 -13.393 16.535 17.841 67 HG1 THR 17 HG1 THR 17 -15.684 16.527 17.246 68 HG21 THR 17 HG21 THR 17 -13.518 18.748 18.969 69 HG22 THR 17 HG22 THR 17 -13.864 19.501 17.413 70 HG23 THR 17 HG23 THR 17 -12.305 18.725 17.690 71 H GLU 18 H GLU 18 -12.397 15.166 15.755 72 HA GLU 18 HA GLU 18 -9.790 16.190 15.906 73 HB2 GLU 18 HB2 GLU 18 -10.392 13.816 16.306 74 HB3 GLU 18 HB3 GLU 18 -10.694 13.621 14.579 75 HG2 GLU 18 HG2 GLU 18 -8.397 14.067 14.043 76 HG3 GLU 18 HG3 GLU 18 -8.052 14.596 15.689 77 H ILE 19 H ILE 19 -12.004 16.032 13.257 78 HA ILE 19 HA ILE 19 -10.089 16.099 11.140 79 HB ILE 19 HB ILE 19 -12.907 17.176 11.037 80 HG12 ILE 19 HG12 ILE 19 -13.073 14.989 12.039 81 HG13 ILE 19 HG13 ILE 19 -13.518 14.832 10.341 82 HG21 ILE 19 HG21 ILE 19 -11.449 17.586 9.079 83 HG22 ILE 19 HG22 ILE 19 -12.757 16.470 8.690 84 HG23 ILE 19 HG23 ILE 19 -11.127 15.856 8.968 85 HD11 ILE 19 HD11 ILE 19 -11.017 14.237 9.960 86 HD12 ILE 19 HD12 ILE 19 -12.051 13.020 10.706 87 HD13 ILE 19 HD13 ILE 19 -10.965 13.984 11.704 88 H PHE 20 H PHE 20 -11.638 18.546 13.127 89 HA PHE 20 HA PHE 20 -10.796 20.755 11.481 90 HB2 PHE 20 HB2 PHE 20 -11.970 20.545 14.256 91 HB3 PHE 20 HB3 PHE 20 -11.487 22.089 13.556 92 HD1 PHE 20 HD1 PHE 20 -13.679 19.118 13.036 93 HD2 PHE 20 HD2 PHE 20 -12.844 23.186 11.936 94 HE1 PHE 20 HE1 PHE 20 -15.809 19.215 11.771 95 HE2 PHE 20 HE2 PHE 20 -14.977 23.283 10.675 96 HZ PHE 20 HZ PHE 20 -16.458 21.297 10.590 97 H LYS 21 H LYS 21 -9.915 19.886 14.841 98 HA LYS 21 HA LYS 21 -7.771 21.593 15.115 99 HB2 LYS 21 HB2 LYS 21 -8.823 20.016 16.857 100 HB3 LYS 21 HB3 LYS 21 -7.717 18.791 16.240 101 HG2 LYS 21 HG2 LYS 21 -5.848 20.507 16.617 102 HG3 LYS 21 HG3 LYS 21 -7.030 21.430 17.545 103 HD2 LYS 21 HD2 LYS 21 -6.113 18.592 18.094 104 HD3 LYS 21 HD3 LYS 21 -5.770 20.017 19.074 105 HE2 LYS 21 HE2 LYS 21 -8.343 20.265 19.261 106 HE3 LYS 21 HE3 LYS 21 -8.405 18.600 18.682 107 HZ1 LYS 21 HZ1 LYS 21 -8.126 18.059 20.810 108 HZ2 LYS 21 HZ2 LYS 21 -7.622 19.620 21.250 109 HZ3 LYS 21 HZ3 LYS 21 -6.504 18.517 20.604 110 H ALA 22 H ALA 22 -7.972 18.646 13.295 111 HA ALA 22 HA ALA 22 -5.142 18.235 13.034 112 HB1 ALA 22 HB1 ALA 22 -7.495 17.152 11.468 113 HB2 ALA 22 HB2 ALA 22 -6.624 16.345 12.772 114 HB3 ALA 22 HB3 ALA 22 -5.825 16.639 11.227 115 H LEU 23 H LEU 23 -6.961 20.697 11.962 116 HA LEU 23 HA LEU 23 -5.293 21.135 9.542 117 HB2 LEU 23 HB2 LEU 23 -8.190 21.944 9.872 118 HB3 LEU 23 HB3 LEU 23 -7.190 22.158 8.440 119 HG LEU 23 HG LEU 23 -7.792 19.439 9.639 120 HD11 LEU 23 HD11 LEU 23 -9.483 19.226 7.827 121 HD12 LEU 23 HD12 LEU 23 -9.237 20.926 7.428 122 HD13 LEU 23 HD13 LEU 23 -9.906 20.475 8.997 123 HD21 LEU 23 HD21 LEU 23 -7.260 18.769 7.228 124 HD22 LEU 23 HD22 LEU 23 -5.896 19.331 8.189 125 HD23 LEU 23 HD23 LEU 23 -6.643 20.404 7.008 126 H GLY 24 H GLY 24 -5.462 22.030 12.537 127 HA2 GLY 24 HA2 GLY 24 -6.079 24.747 12.680 128 HA3 GLY 24 HA3 GLY 24 -4.888 23.935 13.693 129 H ASP 25 H ASP 25 -2.778 23.409 12.415 130 HA ASP 25 HA ASP 25 -1.412 25.732 11.865 131 HB2 ASP 25 HB2 ASP 25 -0.866 23.040 10.591 132 HB3 ASP 25 HB3 ASP 25 0.293 24.348 10.822 133 H TYR 26 H TYR 26 -1.609 27.214 10.324 134 HA TYR 26 HA TYR 26 -3.268 26.867 8.046 135 HB2 TYR 26 HB2 TYR 26 -2.384 29.102 7.382 136 HB3 TYR 26 HB3 TYR 26 -2.974 29.060 9.044 137 HD1 TYR 26 HD1 TYR 26 -1.428 29.134 10.939 138 HD2 TYR 26 HD2 TYR 26 0.008 29.226 6.892 139 HE1 TYR 26 HE1 TYR 26 0.809 29.833 11.749 140 HE2 TYR 26 HE2 TYR 26 2.245 29.928 7.701 141 HH TYR 26 HH TYR 26 3.564 29.702 9.879 142 H ASN 27 H ASN 27 0.116 26.355 8.630 143 HA ASN 27 HA ASN 27 1.167 26.621 6.060 144 HB2 ASN 27 HB2 ASN 27 2.496 26.249 8.138 145 HB3 ASN 27 HB3 ASN 27 1.973 24.566 8.129 146 HD21 ASN 27 HD21 ASN 27 4.479 24.300 7.924 147 HD22 ASN 27 HD22 ASN 27 5.114 24.294 6.350 148 H ARG 28 H ARG 28 -0.547 23.915 7.548 149 HA ARG 28 HA ARG 28 -0.061 22.099 5.387 150 HB2 ARG 28 HB2 ARG 28 -2.152 22.021 7.578 151 HB3 ARG 28 HB3 ARG 28 -1.731 20.680 6.512 152 HG2 ARG 28 HG2 ARG 28 0.611 20.788 7.352 153 HG3 ARG 28 HG3 ARG 28 0.128 22.063 8.470 154 HD2 ARG 28 HD2 ARG 28 -1.560 20.500 9.449 155 HD3 ARG 28 HD3 ARG 28 -0.939 19.227 8.401 156 HE ARG 28 HE ARG 28 1.258 20.214 9.771 157 HH11 ARG 28 HH21 ARG 28 -1.805 18.784 10.513 158 HH12 ARG 28 HH22 ARG 28 -1.247 18.006 11.957 159 HH21 ARG 28 HH11 ARG 28 1.994 19.202 11.664 160 HH22 ARG 28 HH12 ARG 28 0.904 18.243 12.608 161 H ILE 29 H ILE 29 -2.360 24.612 5.977 162 HA ILE 29 HA ILE 29 -4.392 23.600 4.210 163 HB ILE 29 HB ILE 29 -4.020 26.442 5.177 164 HG12 ILE 29 HG12 ILE 29 -5.481 24.115 6.465 165 HG13 ILE 29 HG13 ILE 29 -4.008 24.867 7.075 166 HG21 ILE 29 HG21 ILE 29 -6.527 24.913 4.425 167 HG22 ILE 29 HG22 ILE 29 -5.673 25.984 3.315 168 HG23 ILE 29 HG23 ILE 29 -6.398 26.635 4.784 169 HD11 ILE 29 HD11 ILE 29 -6.789 26.025 6.924 170 HD12 ILE 29 HD12 ILE 29 -5.379 27.077 7.049 171 HD13 ILE 29 HD13 ILE 29 -5.722 25.907 8.323 172 H ARG 30 H ARG 30 -1.654 25.837 3.899 173 HA ARG 30 HA ARG 30 -2.390 26.796 1.316 174 HB2 ARG 30 HB2 ARG 30 0.266 26.746 2.768 175 HB3 ARG 30 HB3 ARG 30 -0.006 27.567 1.231 176 HG2 ARG 30 HG2 ARG 30 -1.820 28.901 2.307 177 HG3 ARG 30 HG3 ARG 30 -1.434 28.131 3.847 178 HD2 ARG 30 HD2 ARG 30 0.343 29.934 2.187 179 HD3 ARG 30 HD3 ARG 30 -0.265 30.229 3.814 180 HE ARG 30 HE ARG 30 1.241 27.848 3.839 181 HH11 ARG 30 HH21 ARG 30 1.586 31.264 3.412 182 HH12 ARG 30 HH22 ARG 30 3.212 31.314 4.007 183 HH21 ARG 30 HH11 ARG 30 3.368 27.906 4.631 184 HH22 ARG 30 HH12 ARG 30 4.221 29.412 4.697 185 H ILE 31 H ILE 31 -0.566 24.042 2.491 186 HA ILE 31 HA ILE 31 0.600 23.344 -0.032 187 HB ILE 31 HB ILE 31 0.109 21.700 2.464 188 HG12 ILE 31 HG12 ILE 31 2.675 22.914 1.411 189 HG13 ILE 31 HG13 ILE 31 1.648 23.721 2.595 190 HG21 ILE 31 HG21 ILE 31 1.623 21.134 -0.094 191 HG22 ILE 31 HG22 ILE 31 0.361 20.158 0.656 192 HG23 ILE 31 HG23 ILE 31 1.951 20.271 1.408 193 HD11 ILE 31 HD11 ILE 31 1.847 21.696 4.062 194 HD12 ILE 31 HD12 ILE 31 3.389 22.503 3.779 195 HD13 ILE 31 HD13 ILE 31 2.995 21.022 2.905 196 H MET 32 H MET 32 -2.120 21.993 1.842 197 HA MET 32 HA MET 32 -2.983 20.055 0.081 198 HB2 MET 32 HB2 MET 32 -4.562 21.868 1.913 199 HB3 MET 32 HB3 MET 32 -5.293 20.527 1.029 200 HG2 MET 32 HG2 MET 32 -3.899 18.922 2.141 201 HG3 MET 32 HG3 MET 32 -2.879 20.188 2.825 202 HE1 MET 32 HE1 MET 32 -4.543 18.776 5.983 203 HE2 MET 32 HE2 MET 32 -3.061 19.079 5.078 204 HE3 MET 32 HE3 MET 32 -4.181 17.828 4.539 205 H GLU 33 H GLU 33 -3.477 23.535 -0.078 206 HA GLU 33 HA GLU 33 -5.461 23.525 -2.109 207 HB2 GLU 33 HB2 GLU 33 -5.038 25.501 -0.730 208 HB3 GLU 33 HB3 GLU 33 -3.413 25.641 -1.401 209 HG2 GLU 33 HG2 GLU 33 -4.250 26.142 -3.579 210 HG3 GLU 33 HG3 GLU 33 -5.886 25.657 -3.138 211 H LEU 34 H LEU 34 -1.923 23.633 -2.189 212 HA LEU 34 HA LEU 34 -1.642 24.083 -4.954 213 HB2 LEU 34 HB2 LEU 34 0.101 24.084 -2.967 214 HB3 LEU 34 HB3 LEU 34 0.330 22.405 -3.420 215 HG LEU 34 HG LEU 34 1.967 23.673 -4.608 216 HD11 LEU 34 HD11 LEU 34 0.654 21.883 -5.843 217 HD12 LEU 34 HD12 LEU 34 1.505 23.049 -6.857 218 HD13 LEU 34 HD13 LEU 34 -0.235 23.197 -6.616 219 HD21 LEU 34 HD21 LEU 34 1.651 25.675 -5.710 220 HD22 LEU 34 HD22 LEU 34 0.474 25.856 -4.417 221 HD23 LEU 34 HD23 LEU 34 -0.053 25.384 -6.031 222 H LEU 35 H LEU 35 -1.409 21.013 -3.137 223 HA LEU 35 HA LEU 35 -1.203 19.313 -5.337 224 HB2 LEU 35 HB2 LEU 35 -2.287 18.941 -2.550 225 HB3 LEU 35 HB3 LEU 35 -2.349 17.619 -3.714 226 HG LEU 35 HG LEU 35 0.090 17.793 -4.045 227 HD11 LEU 35 HD11 LEU 35 -0.221 20.039 -2.047 228 HD12 LEU 35 HD12 LEU 35 0.562 20.081 -3.627 229 HD13 LEU 35 HD13 LEU 35 1.320 19.217 -2.290 230 HD21 LEU 35 HD21 LEU 35 -0.709 17.598 -1.126 231 HD22 LEU 35 HD22 LEU 35 0.750 16.918 -1.847 232 HD23 LEU 35 HD23 LEU 35 -0.834 16.290 -2.302 233 H SER 36 H SER 36 -3.946 21.087 -4.183 234 HA SER 36 HA SER 36 -6.002 19.471 -5.275 235 HB2 SER 36 HB2 SER 36 -6.159 22.476 -5.143 236 HB3 SER 36 HB3 SER 36 -7.440 21.290 -4.911 237 HG SER 36 HG SER 36 -5.345 22.023 -3.187 238 H VAL 37 H VAL 37 -3.850 21.886 -6.624 239 HA VAL 37 HA VAL 37 -5.198 21.991 -9.182 240 HB VAL 37 HB VAL 37 -2.386 22.896 -8.536 241 HG11 VAL 37 HG11 VAL 37 -3.111 22.762 -10.937 242 HG12 VAL 37 HG12 VAL 37 -2.733 24.403 -10.409 243 HG13 VAL 37 HG13 VAL 37 -4.414 23.890 -10.559 244 HG21 VAL 37 HG21 VAL 37 -3.940 23.881 -6.909 245 HG22 VAL 37 HG22 VAL 37 -5.017 24.375 -8.216 246 HG23 VAL 37 HG23 VAL 37 -3.420 25.106 -8.065 247 H SER 38 H SER 38 -2.375 20.364 -7.798 248 HA SER 38 HA SER 38 -2.514 18.241 -9.702 249 HB2 SER 38 HB2 SER 38 -0.505 18.636 -10.947 250 HB3 SER 38 HB3 SER 38 -1.470 20.108 -11.056 251 HG SER 38 HG SER 38 0.988 19.831 -10.131 252 H GLU 39 H GLU 39 -1.676 16.476 -8.796 253 HA GLU 39 HA GLU 39 -0.753 16.316 -6.207 254 HB2 GLU 39 HB2 GLU 39 0.237 14.103 -6.880 255 HB3 GLU 39 HB3 GLU 39 -1.447 14.321 -7.351 256 HG2 GLU 39 HG2 GLU 39 0.814 15.008 -9.236 257 HG3 GLU 39 HG3 GLU 39 0.182 13.369 -9.121 258 H ALA 40 H ALA 40 1.487 15.409 -5.573 259 HA ALA 40 HA ALA 40 3.734 16.438 -7.089 260 HB1 ALA 40 HB1 ALA 40 4.525 17.992 -5.424 261 HB2 ALA 40 HB2 ALA 40 3.197 17.579 -4.338 262 HB3 ALA 40 HB3 ALA 40 2.871 18.442 -5.841 263 H SER 41 H SER 41 5.688 15.549 -6.449 264 HA SER 41 HA SER 41 5.493 13.208 -4.699 265 HB2 SER 41 HB2 SER 41 6.583 12.993 -6.903 266 HB3 SER 41 HB3 SER 41 7.771 14.206 -6.428 267 HG SER 41 HG SER 41 7.830 11.615 -5.966 268 H VAL 42 H VAL 42 7.980 12.947 -3.695 269 HA VAL 42 HA VAL 42 7.957 14.720 -1.459 270 HB VAL 42 HB VAL 42 10.008 12.693 -2.381 271 HG11 VAL 42 HG11 VAL 42 11.165 14.193 -0.939 272 HG12 VAL 42 HG12 VAL 42 10.683 12.846 0.092 273 HG13 VAL 42 HG13 VAL 42 9.773 14.358 0.132 274 HG21 VAL 42 HG21 VAL 42 7.794 12.607 -0.309 275 HG22 VAL 42 HG22 VAL 42 8.996 11.338 -0.550 276 HG23 VAL 42 HG23 VAL 42 7.838 11.710 -1.827 277 H GLY 43 H GLY 43 10.514 14.152 -3.903 278 HA2 GLY 43 HA2 GLY 43 12.073 16.360 -3.218 279 HA3 GLY 43 HA3 GLY 43 12.083 15.582 -4.798 280 H HIS 44 H HIS 44 9.340 16.107 -5.463 281 HA HIS 44 HA HIS 44 9.682 18.674 -6.613 282 HB2 HIS 44 HB2 HIS 44 7.215 16.927 -6.473 283 HB3 HIS 44 HB3 HIS 44 7.449 18.298 -7.558 284 HD1 HIS 44 HD1 HIS 44 10.659 17.202 -7.686 285 HD2 HIS 44 HD2 HIS 44 7.147 15.388 -9.012 286 HE1 HIS 44 HE1 HIS 44 11.345 15.513 -9.442 287 HE2 HIS 44 HE2 HIS 44 9.216 14.401 -10.264 288 H ILE 45 H ILE 45 7.565 17.509 -3.975 289 HA ILE 45 HA ILE 45 6.224 20.029 -3.762 290 HB ILE 45 HB ILE 45 5.274 17.793 -3.045 291 HG12 ILE 45 HG12 ILE 45 5.256 20.046 -1.014 292 HG13 ILE 45 HG13 ILE 45 4.252 19.972 -2.462 293 HG21 ILE 45 HG21 ILE 45 7.337 17.138 -1.733 294 HG22 ILE 45 HG22 ILE 45 5.817 16.940 -0.868 295 HG23 ILE 45 HG23 ILE 45 6.855 18.320 -0.518 296 HD11 ILE 45 HD11 ILE 45 2.935 19.179 -0.586 297 HD12 ILE 45 HD12 ILE 45 4.206 18.051 -0.116 298 HD13 ILE 45 HD13 ILE 45 3.313 17.798 -1.615 299 H SER 46 H SER 46 9.242 18.857 -2.583 300 HA SER 46 HA SER 46 9.474 20.396 -0.234 301 HB2 SER 46 HB2 SER 46 11.750 19.726 -2.103 302 HB3 SER 46 HB3 SER 46 11.809 19.949 -0.356 303 HG SER 46 HG SER 46 10.741 17.820 -1.854 304 H HIS 47 H HIS 47 9.326 21.311 -3.499 305 HA HIS 47 HA HIS 47 10.858 23.765 -3.242 306 HB2 HIS 47 HB2 HIS 47 8.981 22.832 -5.430 307 HB3 HIS 47 HB3 HIS 47 10.077 24.209 -5.527 308 HD1 HIS 47 HD1 HIS 47 11.371 21.251 -3.725 309 HD2 HIS 47 HD2 HIS 47 11.483 22.728 -7.622 310 HE1 HIS 47 HE1 HIS 47 13.182 19.955 -4.929 311 HE2 HIS 47 HE2 HIS 47 13.264 20.841 -7.306 312 H GLN 48 H GLN 48 7.787 22.700 -2.383 313 HA GLN 48 HA GLN 48 6.312 25.113 -2.867 314 HB2 GLN 48 HB2 GLN 48 5.321 22.793 -2.615 315 HB3 GLN 48 HB3 GLN 48 5.630 22.935 -0.885 316 HG2 GLN 48 HG2 GLN 48 3.366 23.655 -1.245 317 HG3 GLN 48 HG3 GLN 48 4.317 25.105 -0.935 318 HE21 GLN 48 HE21 GLN 48 2.351 26.078 -2.189 319 HE22 GLN 48 HE22 GLN 48 2.486 26.140 -3.880 320 H LEU 49 H LEU 49 7.827 23.661 0.020 321 HA LEU 49 HA LEU 49 8.391 26.212 1.161 322 HB2 LEU 49 HB2 LEU 49 5.892 26.024 1.496 323 HB3 LEU 49 HB3 LEU 49 6.200 24.618 2.504 324 HG LEU 49 HG LEU 49 7.743 26.131 3.894 325 HD11 LEU 49 HD11 LEU 49 6.352 28.194 2.171 326 HD12 LEU 49 HD12 LEU 49 8.071 28.050 2.537 327 HD13 LEU 49 HD13 LEU 49 6.951 28.584 3.780 328 HD21 LEU 49 HD21 LEU 49 4.767 26.708 3.784 329 HD22 LEU 49 HD22 LEU 49 5.821 27.053 5.157 330 HD23 LEU 49 HD23 LEU 49 5.534 25.385 4.662 331 H ASN 50 H ASN 50 8.053 22.741 1.509 332 HA ASN 50 HA ASN 50 9.672 22.623 3.921 333 HB2 ASN 50 HB2 ASN 50 8.833 20.325 2.151 334 HB3 ASN 50 HB3 ASN 50 9.291 20.271 3.853 335 HD21 ASN 50 HD21 ASN 50 7.787 21.598 5.357 336 HD22 ASN 50 HD22 ASN 50 6.135 21.625 4.968 337 H LEU 51 H LEU 51 11.830 22.393 4.005 338 HA LEU 51 HA LEU 51 13.344 22.162 1.512 339 HB2 LEU 51 HB2 LEU 51 14.062 22.779 4.377 340 HB3 LEU 51 HB3 LEU 51 15.300 22.447 3.167 341 HG LEU 51 HG LEU 51 14.478 24.287 1.777 342 HD11 LEU 51 HD11 LEU 51 12.147 24.357 2.169 343 HD12 LEU 51 HD12 LEU 51 12.741 25.836 2.918 344 HD13 LEU 51 HD13 LEU 51 12.352 24.439 3.919 345 HD21 LEU 51 HD21 LEU 51 16.157 24.808 3.480 346 HD22 LEU 51 HD22 LEU 51 14.891 25.052 4.684 347 HD23 LEU 51 HD23 LEU 51 15.037 26.160 3.318 348 H SER 52 H SER 52 13.578 20.630 4.731 349 HA SER 52 HA SER 52 15.010 18.372 3.710 350 HB2 SER 52 HB2 SER 52 13.572 18.591 6.361 351 HB3 SER 52 HB3 SER 52 14.917 17.526 5.956 352 HG SER 52 HG SER 52 15.388 19.577 7.110 353 H GLN 53 H GLN 53 14.311 16.322 3.270 354 HA GLN 53 HA GLN 53 11.521 16.031 2.562 355 HB2 GLN 53 HB2 GLN 53 13.634 13.878 2.474 356 HB3 GLN 53 HB3 GLN 53 12.177 14.021 1.490 357 HG2 GLN 53 HG2 GLN 53 14.585 15.862 1.414 358 HG3 GLN 53 HG3 GLN 53 14.119 14.702 0.172 359 HE21 GLN 53 HE21 GLN 53 14.318 17.711 -0.025 360 HE22 GLN 53 HE22 GLN 53 12.782 18.217 -0.542 361 H SER 54 H SER 54 13.769 14.316 4.741 362 HA SER 54 HA SER 54 12.133 12.420 5.822 363 HB2 SER 54 HB2 SER 54 14.362 12.429 6.578 364 HB3 SER 54 HB3 SER 54 14.276 14.116 7.086 365 HG SER 54 HG SER 54 12.379 12.848 8.377 366 H ASN 55 H ASN 55 11.974 15.862 6.322 367 HA ASN 55 HA ASN 55 10.378 15.848 8.672 368 HB2 ASN 55 HB2 ASN 55 10.730 17.907 6.485 369 HB3 ASN 55 HB3 ASN 55 9.799 18.192 7.956 370 HD21 ASN 55 HD21 ASN 55 11.400 19.868 8.589 371 HD22 ASN 55 HD22 ASN 55 12.911 19.407 9.209 372 H VAL 56 H VAL 56 9.576 16.008 5.212 373 HA VAL 56 HA VAL 56 6.752 16.174 5.643 374 HB VAL 56 HB VAL 56 8.283 15.323 3.172 375 HG11 VAL 56 HG11 VAL 56 6.141 16.168 2.071 376 HG12 VAL 56 HG12 VAL 56 5.413 16.144 3.677 377 HG13 VAL 56 HG13 VAL 56 5.997 14.646 2.952 378 HG21 VAL 56 HG21 VAL 56 7.838 17.709 2.497 379 HG22 VAL 56 HG22 VAL 56 8.954 17.551 3.853 380 HG23 VAL 56 HG23 VAL 56 7.277 18.013 4.141 381 H SER 57 H SER 57 9.037 13.542 5.143 382 HA SER 57 HA SER 57 7.228 11.460 4.607 383 HB2 SER 57 HB2 SER 57 8.983 9.962 5.427 384 HB3 SER 57 HB3 SER 57 9.686 11.232 4.427 385 HG SER 57 HG SER 57 10.132 10.654 7.016 386 H HIS 58 H HIS 58 8.343 12.873 7.647 387 HA HIS 58 HA HIS 58 7.031 11.057 9.387 388 HB2 HIS 58 HB2 HIS 58 7.937 13.919 9.745 389 HB3 HIS 58 HB3 HIS 58 7.240 12.958 11.048 390 HD1 HIS 58 HD1 HIS 58 9.389 11.248 8.527 391 HD2 HIS 58 HD2 HIS 58 9.811 12.845 12.355 392 HE1 HIS 58 HE1 HIS 58 11.596 10.390 9.420 393 HE2 HIS 58 HE2 HIS 58 11.870 11.354 11.754 394 H GLN 59 H GLN 59 6.105 14.309 8.242 395 HA GLN 59 HA GLN 59 3.661 14.571 9.487 396 HB2 GLN 59 HB2 GLN 59 4.478 15.440 6.706 397 HB3 GLN 59 HB3 GLN 59 3.011 15.984 7.523 398 HG2 GLN 59 HG2 GLN 59 5.749 16.262 8.776 399 HG3 GLN 59 HG3 GLN 59 5.065 17.507 7.731 400 HE21 GLN 59 HE21 GLN 59 2.624 18.057 8.434 401 HE22 GLN 59 HE22 GLN 59 2.405 18.267 10.104 402 H LEU 60 H LEU 60 4.040 13.420 6.124 403 HA LEU 60 HA LEU 60 1.500 12.651 5.567 404 HB2 LEU 60 HB2 LEU 60 3.978 11.052 4.894 405 HB3 LEU 60 HB3 LEU 60 2.431 10.933 4.065 406 HG LEU 60 HG LEU 60 3.916 13.559 4.299 407 HD11 LEU 60 HD11 LEU 60 4.235 11.356 2.254 408 HD12 LEU 60 HD12 LEU 60 5.495 12.162 3.189 409 HD13 LEU 60 HD13 LEU 60 4.660 13.030 1.901 410 HD21 LEU 60 HD21 LEU 60 1.652 13.880 3.600 411 HD22 LEU 60 HD22 LEU 60 1.714 12.497 2.507 412 HD23 LEU 60 HD23 LEU 60 2.619 13.959 2.131 413 H LYS 61 H LYS 61 3.621 11.096 7.856 414 HA LYS 61 HA LYS 61 2.233 8.605 7.946 415 HB2 LYS 61 HB2 LYS 61 4.604 9.122 8.792 416 HB3 LYS 61 HB3 LYS 61 3.821 9.782 10.227 417 HG2 LYS 61 HG2 LYS 61 2.711 7.643 10.646 418 HG3 LYS 61 HG3 LYS 61 3.405 6.971 9.170 419 HD2 LYS 61 HD2 LYS 61 5.665 7.253 10.070 420 HD3 LYS 61 HD3 LYS 61 5.014 8.016 11.521 421 HE2 LYS 61 HE2 LYS 61 5.588 5.537 11.738 422 HE3 LYS 61 HE3 LYS 61 3.954 5.990 12.224 423 HZ1 LYS 61 HZ1 LYS 61 4.600 5.057 9.490 424 HZ2 LYS 61 HZ2 LYS 61 3.071 5.188 10.219 425 HZ3 LYS 61 HZ3 LYS 61 4.159 3.990 10.734 426 H LEU 62 H LEU 62 2.019 11.596 9.846 427 HA LEU 62 HA LEU 62 0.131 10.606 11.724 428 HB2 LEU 62 HB2 LEU 62 0.980 13.364 10.865 429 HB3 LEU 62 HB3 LEU 62 -0.318 13.150 12.030 430 HG LEU 62 HG LEU 62 1.978 13.491 13.027 431 HD11 LEU 62 HD11 LEU 62 1.573 12.113 14.837 432 HD12 LEU 62 HD12 LEU 62 1.054 10.751 13.851 433 HD13 LEU 62 HD13 LEU 62 -0.018 12.129 14.089 434 HD21 LEU 62 HD21 LEU 62 3.086 12.076 11.228 435 HD22 LEU 62 HD22 LEU 62 2.508 10.663 12.110 436 HD23 LEU 62 HD23 LEU 62 3.631 11.785 12.878 437 H LEU 63 H LEU 63 -0.240 12.553 8.762 438 HA LEU 63 HA LEU 63 -3.002 12.929 8.880 439 HB2 LEU 63 HB2 LEU 63 -1.431 12.469 6.339 440 HB3 LEU 63 HB3 LEU 63 -2.917 13.396 6.527 441 HG LEU 63 HG LEU 63 -0.267 14.091 7.829 442 HD11 LEU 63 HD11 LEU 63 -0.128 15.873 6.180 443 HD12 LEU 63 HD12 LEU 63 -1.690 15.413 5.502 444 HD13 LEU 63 HD13 LEU 63 -0.305 14.332 5.338 445 HD21 LEU 63 HD21 LEU 63 -1.971 15.000 9.195 446 HD22 LEU 63 HD22 LEU 63 -3.006 15.367 7.815 447 HD23 LEU 63 HD23 LEU 63 -1.556 16.325 8.114 448 H LYS 64 H LYS 64 -1.156 10.098 8.028 449 HA LYS 64 HA LYS 64 -3.262 8.733 6.674 450 HB2 LYS 64 HB2 LYS 64 -0.946 8.098 6.304 451 HB3 LYS 64 HB3 LYS 64 -0.741 7.718 8.010 452 HG2 LYS 64 HG2 LYS 64 -1.079 5.697 6.597 453 HG3 LYS 64 HG3 LYS 64 -2.313 5.867 7.838 454 HD2 LYS 64 HD2 LYS 64 -3.960 6.539 6.296 455 HD3 LYS 64 HD3 LYS 64 -2.770 6.989 5.074 456 HE2 LYS 64 HE2 LYS 64 -3.188 4.141 6.018 457 HE3 LYS 64 HE3 LYS 64 -4.009 4.827 4.615 458 HZ1 LYS 64 HZ1 LYS 64 -2.218 4.346 3.434 459 HZ2 LYS 64 HZ2 LYS 64 -1.374 3.828 4.814 460 HZ3 LYS 64 HZ3 LYS 64 -1.328 5.463 4.352 461 H SER 65 H SER 65 -2.261 9.020 10.021 462 HA SER 65 HA SER 65 -3.580 6.843 11.157 463 HB2 SER 65 HB2 SER 65 -2.037 8.451 12.338 464 HB3 SER 65 HB3 SER 65 -3.378 9.595 12.396 465 HG SER 65 HG SER 65 -4.439 7.450 13.262 466 H VAL 66 H VAL 66 -4.817 10.185 10.870 467 HA VAL 66 HA VAL 66 -7.448 9.562 11.696 468 HB VAL 66 HB VAL 66 -6.713 11.830 11.797 469 HG11 VAL 66 HG11 VAL 66 -6.149 11.482 8.850 470 HG12 VAL 66 HG12 VAL 66 -5.006 11.881 10.131 471 HG13 VAL 66 HG13 VAL 66 -6.212 13.064 9.626 472 HG21 VAL 66 HG21 VAL 66 -8.591 11.896 9.437 473 HG22 VAL 66 HG22 VAL 66 -8.546 12.947 10.850 474 HG23 VAL 66 HG23 VAL 66 -9.133 11.294 11.003 475 H HIS 67 H HIS 67 -5.867 8.431 9.084 476 HA HIS 67 HA HIS 67 -6.511 7.312 7.203 477 HB2 HIS 67 HB2 HIS 67 -8.274 6.462 8.850 478 HB3 HIS 67 HB3 HIS 67 -9.369 7.640 8.127 479 HD1 HIS 67 HD1 HIS 67 -7.464 4.494 7.326 480 HD2 HIS 67 HD2 HIS 67 -10.256 7.004 5.514 481 HE1 HIS 67 HE1 HIS 67 -8.265 3.291 5.248 482 HE2 HIS 67 HE2 HIS 67 -9.963 4.808 4.128 483 H LEU 68 H LEU 68 -6.742 10.398 7.531 484 HA LEU 68 HA LEU 68 -8.677 11.268 5.658 485 HB2 LEU 68 HB2 LEU 68 -7.456 12.708 7.338 486 HB3 LEU 68 HB3 LEU 68 -6.047 12.618 6.296 487 HG LEU 68 HG LEU 68 -7.501 13.543 4.423 488 HD11 LEU 68 HD11 LEU 68 -9.432 13.753 6.726 489 HD12 LEU 68 HD12 LEU 68 -9.731 13.245 5.065 490 HD13 LEU 68 HD13 LEU 68 -9.476 14.942 5.429 491 HD21 LEU 68 HD21 LEU 68 -5.872 14.888 5.726 492 HD22 LEU 68 HD22 LEU 68 -7.141 15.270 6.889 493 HD23 LEU 68 HD23 LEU 68 -7.265 15.845 5.226 494 H VAL 69 H VAL 69 -5.742 12.501 4.547 495 HA VAL 69 HA VAL 69 -6.010 11.764 1.930 496 HB VAL 69 HB VAL 69 -3.628 12.234 1.659 497 HG11 VAL 69 HG11 VAL 69 -4.917 13.969 3.788 498 HG12 VAL 69 HG12 VAL 69 -5.155 14.131 2.049 499 HG13 VAL 69 HG13 VAL 69 -3.570 14.448 2.755 500 HG21 VAL 69 HG21 VAL 69 -3.607 11.845 4.658 501 HG22 VAL 69 HG22 VAL 69 -2.318 12.700 3.812 502 HG23 VAL 69 HG23 VAL 69 -2.637 11.004 3.448 503 H LYS 70 H LYS 70 -4.358 10.361 0.690 504 HA LYS 70 HA LYS 70 -3.775 7.798 2.021 505 HB2 LYS 70 HB2 LYS 70 -5.537 8.189 -0.401 506 HB3 LYS 70 HB3 LYS 70 -4.718 6.660 -0.075 507 HG2 LYS 70 HG2 LYS 70 -5.851 6.421 2.041 508 HG3 LYS 70 HG3 LYS 70 -6.516 8.049 1.928 509 HD2 LYS 70 HD2 LYS 70 -8.250 6.476 1.298 510 HD3 LYS 70 HD3 LYS 70 -7.740 7.349 -0.144 511 HE2 LYS 70 HE2 LYS 70 -6.533 5.500 -0.982 512 HE3 LYS 70 HE3 LYS 70 -6.489 4.700 0.589 513 HZ1 LYS 70 HZ1 LYS 70 -8.125 3.577 -0.595 514 HZ2 LYS 70 HZ2 LYS 70 -8.770 5.000 -1.262 515 HZ3 LYS 70 HZ3 LYS 70 -9.008 4.648 0.382 516 H ALA 71 H ALA 71 -2.596 6.346 0.346 517 HA ALA 71 HA ALA 71 -1.023 7.784 -1.633 518 HB1 ALA 71 HB1 ALA 71 0.390 6.486 0.708 519 HB2 ALA 71 HB2 ALA 71 0.111 8.223 0.582 520 HB3 ALA 71 HB3 ALA 71 1.118 7.403 -0.611 521 H LYS 72 H LYS 72 0.358 6.341 -2.875 522 HA LYS 72 HA LYS 72 -0.009 3.464 -2.504 523 HB2 LYS 72 HB2 LYS 72 -1.984 4.186 -3.833 524 HB3 LYS 72 HB3 LYS 72 -0.889 4.822 -5.062 525 HG2 LYS 72 HG2 LYS 72 0.045 2.623 -5.457 526 HG3 LYS 72 HG3 LYS 72 -0.869 1.943 -4.114 527 HD2 LYS 72 HD2 LYS 72 -2.136 3.219 -6.558 528 HD3 LYS 72 HD3 LYS 72 -1.867 1.489 -6.385 529 HE2 LYS 72 HE2 LYS 72 -3.196 1.819 -4.110 530 HE3 LYS 72 HE3 LYS 72 -3.816 3.250 -4.934 531 HZ1 LYS 72 HZ1 LYS 72 -4.914 0.880 -5.198 532 HZ2 LYS 72 HZ2 LYS 72 -3.770 0.761 -6.447 533 HZ3 LYS 72 HZ3 LYS 72 -4.909 2.019 -6.456 534 H ARG 73 H ARG 73 1.987 2.690 -2.672 535 HA ARG 73 HA ARG 73 4.150 4.088 -3.711 536 HB2 ARG 73 HB2 ARG 73 3.844 1.100 -3.337 537 HB3 ARG 73 HB3 ARG 73 5.376 1.947 -3.556 538 HG2 ARG 73 HG2 ARG 73 4.746 3.358 -1.532 539 HG3 ARG 73 HG3 ARG 73 3.422 2.225 -1.260 540 HD2 ARG 73 HD2 ARG 73 5.161 0.370 -1.296 541 HD3 ARG 73 HD3 ARG 73 6.389 1.633 -1.256 542 HE ARG 73 HE ARG 73 4.698 0.805 0.941 543 HH11 ARG 73 HH21 ARG 73 6.612 3.322 -0.465 544 HH12 ARG 73 HH22 ARG 73 6.932 4.110 1.043 545 HH21 ARG 73 HH11 ARG 73 5.115 1.832 2.923 546 HH22 ARG 73 HH12 ARG 73 6.076 3.274 2.960 547 H GLN 74 H GLN 74 5.437 3.809 -5.529 548 HA GLN 74 HA GLN 74 4.494 2.229 -7.785 549 HB2 GLN 74 HB2 GLN 74 4.592 5.254 -7.900 550 HB3 GLN 74 HB3 GLN 74 4.436 4.203 -9.307 551 HG2 GLN 74 HG2 GLN 74 2.388 3.196 -8.131 552 HG3 GLN 74 HG3 GLN 74 2.481 4.570 -7.031 553 HE21 GLN 74 HE21 GLN 74 3.506 6.349 -9.275 554 HE22 GLN 74 HE22 GLN 74 2.138 6.683 -10.222 555 H GLY 75 H GLY 75 6.513 1.198 -7.505 556 HA2 GLY 75 HA2 GLY 75 8.683 0.822 -8.212 557 HA3 GLY 75 HA3 GLY 75 8.658 2.403 -8.988 558 H GLN 76 H GLN 76 8.583 1.060 -5.672 559 HA GLN 76 HA GLN 76 9.675 1.664 -3.759 560 HB2 GLN 76 HB2 GLN 76 11.761 2.679 -5.705 561 HB3 GLN 76 HB3 GLN 76 12.013 2.330 -3.995 562 HG2 GLN 76 HG2 GLN 76 11.026 0.270 -5.984 563 HG3 GLN 76 HG3 GLN 76 12.726 0.476 -5.566 564 HE21 GLN 76 HE21 GLN 76 9.573 -0.552 -4.295 565 HE22 GLN 76 HE22 GLN 76 10.194 -1.309 -2.908 566 H SER 77 H SER 77 8.374 3.890 -5.783 567 HA SER 77 HA SER 77 9.166 6.231 -4.138 568 HB2 SER 77 HB2 SER 77 7.876 6.090 -6.875 569 HB3 SER 77 HB3 SER 77 8.284 7.569 -6.006 570 HG SER 77 HG SER 77 10.247 5.610 -6.414 571 H MET 78 H MET 78 7.694 7.177 -2.871 572 HA MET 78 HA MET 78 4.935 6.120 -2.851 573 HB2 MET 78 HB2 MET 78 4.785 7.154 -0.632 574 HB3 MET 78 HB3 MET 78 6.141 6.033 -0.729 575 HG2 MET 78 HG2 MET 78 7.544 8.142 -1.351 576 HG3 MET 78 HG3 MET 78 6.185 9.045 -0.677 577 HE1 MET 78 HE1 MET 78 9.129 9.294 0.598 578 HE2 MET 78 HE2 MET 78 8.540 9.418 2.256 579 HE3 MET 78 HE3 MET 78 7.624 10.150 0.939 580 H ILE 79 H ILE 79 3.444 7.237 -3.879 581 HA ILE 79 HA ILE 79 3.862 10.080 -4.495 582 HB ILE 79 HB ILE 79 3.207 8.340 -6.238 583 HG12 ILE 79 HG12 ILE 79 1.506 9.894 -7.280 584 HG13 ILE 79 HG13 ILE 79 1.509 10.807 -5.776 585 HG21 ILE 79 HG21 ILE 79 0.422 8.667 -5.127 586 HG22 ILE 79 HG22 ILE 79 1.456 7.332 -4.627 587 HG23 ILE 79 HG23 ILE 79 1.008 7.510 -6.323 588 HD11 ILE 79 HD11 ILE 79 3.096 11.453 -7.828 589 HD12 ILE 79 HD12 ILE 79 4.169 10.290 -7.058 590 HD13 ILE 79 HD13 ILE 79 3.598 11.696 -6.160 591 H TYR 80 H TYR 80 2.938 11.616 -3.325 592 HA TYR 80 HA TYR 80 0.726 10.943 -1.488 593 HB2 TYR 80 HB2 TYR 80 2.568 11.917 -0.353 594 HB3 TYR 80 HB3 TYR 80 2.788 13.142 -1.594 595 HD1 TYR 80 HD1 TYR 80 -0.152 11.929 0.431 596 HD2 TYR 80 HD2 TYR 80 2.255 15.275 -0.788 597 HE1 TYR 80 HE1 TYR 80 -1.625 13.456 1.704 598 HE2 TYR 80 HE2 TYR 80 0.783 16.799 0.497 599 HH TYR 80 HH TYR 80 -1.120 15.991 2.823 600 H SER 81 H SER 81 -1.254 11.848 -1.695 601 HA SER 81 HA SER 81 -1.741 14.232 -3.215 602 HB2 SER 81 HB2 SER 81 -2.882 13.331 -5.085 603 HB3 SER 81 HB3 SER 81 -1.390 12.399 -4.971 604 HG SER 81 HG SER 81 -3.067 10.965 -5.198 605 H LEU 82 H LEU 82 -4.421 13.696 -3.906 606 HA LEU 82 HA LEU 82 -5.652 13.974 -1.313 607 HB2 LEU 82 HB2 LEU 82 -7.105 13.745 -3.948 608 HB3 LEU 82 HB3 LEU 82 -7.615 14.586 -2.485 609 HG LEU 82 HG LEU 82 -5.266 15.357 -4.244 610 HD11 LEU 82 HD11 LEU 82 -7.875 16.815 -3.747 611 HD12 LEU 82 HD12 LEU 82 -7.587 15.785 -5.151 612 HD13 LEU 82 HD13 LEU 82 -6.617 17.239 -4.909 613 HD21 LEU 82 HD21 LEU 82 -4.708 15.998 -2.021 614 HD22 LEU 82 HD22 LEU 82 -6.370 16.463 -1.654 615 HD23 LEU 82 HD23 LEU 82 -5.398 17.449 -2.746 616 H ASP 83 H ASP 83 -7.893 12.813 -1.099 617 HA ASP 83 HA ASP 83 -7.331 9.931 -1.125 618 HB2 ASP 83 HB2 ASP 83 -8.096 11.093 0.956 619 HB3 ASP 83 HB3 ASP 83 -9.628 11.428 0.150 620 H ASP 84 H ASP 84 -10.214 11.938 -1.728 621 HA ASP 84 HA ASP 84 -10.845 10.349 -4.131 622 HB2 ASP 84 HB2 ASP 84 -12.674 10.662 -1.742 623 HB3 ASP 84 HB3 ASP 84 -13.177 10.037 -3.312 624 H ILE 85 H ILE 85 -12.957 12.444 -2.238 625 HA ILE 85 HA ILE 85 -12.563 14.717 -3.972 626 HB ILE 85 HB ILE 85 -14.979 14.774 -4.701 627 HG12 ILE 85 HG12 ILE 85 -16.083 12.499 -4.816 628 HG13 ILE 85 HG13 ILE 85 -14.853 11.912 -3.707 629 HG21 ILE 85 HG21 ILE 85 -14.606 13.453 -6.637 630 HG22 ILE 85 HG22 ILE 85 -13.539 12.346 -5.778 631 HG23 ILE 85 HG23 ILE 85 -13.006 13.989 -6.135 632 HD11 ILE 85 HD11 ILE 85 -17.208 12.806 -2.840 633 HD12 ILE 85 HD12 ILE 85 -16.383 14.360 -2.896 634 HD13 ILE 85 HD13 ILE 85 -15.736 13.049 -1.908 635 H HIS 86 H HIS 86 -13.368 13.336 -1.093 636 HA HIS 86 HA HIS 86 -15.214 15.327 -0.114 637 HB2 HIS 86 HB2 HIS 86 -13.531 13.275 1.350 638 HB3 HIS 86 HB3 HIS 86 -14.797 14.262 2.083 639 HD1 HIS 86 HD1 HIS 86 -14.276 11.108 0.349 640 HD2 HIS 86 HD2 HIS 86 -17.449 13.780 0.764 641 HE1 HIS 86 HE1 HIS 86 -16.367 9.841 -0.303 642 HE2 HIS 86 HE2 HIS 86 -18.312 11.453 -0.058 643 H VAL 87 H VAL 87 -11.741 14.765 -0.041 644 HA VAL 87 HA VAL 87 -11.089 16.797 1.835 645 HB VAL 87 HB VAL 87 -9.378 15.685 -0.403 646 HG11 VAL 87 HG11 VAL 87 -8.712 17.021 2.237 647 HG12 VAL 87 HG12 VAL 87 -8.450 17.698 0.630 648 HG13 VAL 87 HG13 VAL 87 -7.530 16.288 1.153 649 HG21 VAL 87 HG21 VAL 87 -8.552 14.169 1.464 650 HG22 VAL 87 HG22 VAL 87 -10.181 13.824 0.885 651 HG23 VAL 87 HG23 VAL 87 -9.951 14.695 2.401 652 H ALA 88 H ALA 88 -11.270 16.735 -1.711 653 HA ALA 88 HA ALA 88 -10.410 19.445 -2.044 654 HB1 ALA 88 HB1 ALA 88 -10.917 19.151 -4.343 655 HB2 ALA 88 HB2 ALA 88 -12.076 17.865 -4.003 656 HB3 ALA 88 HB3 ALA 88 -10.349 17.575 -3.790 657 H THR 89 H THR 89 -13.601 17.860 -2.295 658 HA THR 89 HA THR 89 -15.185 20.072 -2.772 659 HB THR 89 HB THR 89 -15.815 17.701 -0.995 660 HG1 THR 89 HG1 THR 89 -15.909 18.212 -3.754 661 HG21 THR 89 HG21 THR 89 -17.548 19.814 -2.299 662 HG22 THR 89 HG22 THR 89 -17.433 19.429 -0.582 663 HG23 THR 89 HG23 THR 89 -18.185 18.285 -1.693 664 H MET 90 H MET 90 -13.634 19.068 0.200 665 HA MET 90 HA MET 90 -15.074 20.686 2.008 666 HB2 MET 90 HB2 MET 90 -13.432 18.819 2.563 667 HB3 MET 90 HB3 MET 90 -12.146 19.985 2.252 668 HG2 MET 90 HG2 MET 90 -12.564 20.087 4.604 669 HG3 MET 90 HG3 MET 90 -13.322 21.524 3.917 670 HE1 MET 90 HE1 MET 90 -13.661 18.586 6.141 671 HE2 MET 90 HE2 MET 90 -13.943 17.748 4.615 672 HE3 MET 90 HE3 MET 90 -15.233 17.854 5.811 673 H LEU 91 H LEU 91 -12.184 21.314 0.054 674 HA LEU 91 HA LEU 91 -11.729 23.931 1.118 675 HB2 LEU 91 HB2 LEU 91 -10.803 22.926 -1.573 676 HB3 LEU 91 HB3 LEU 91 -10.038 24.133 -0.541 677 HG LEU 91 HG LEU 91 -10.341 21.189 0.128 678 HD11 LEU 91 HD11 LEU 91 -8.700 21.748 -1.694 679 HD12 LEU 91 HD12 LEU 91 -7.954 21.045 -0.260 680 HD13 LEU 91 HD13 LEU 91 -7.853 22.783 -0.545 681 HD21 LEU 91 HD21 LEU 91 -10.334 22.384 2.183 682 HD22 LEU 91 HD22 LEU 91 -9.151 23.551 1.593 683 HD23 LEU 91 HD23 LEU 91 -8.657 21.896 1.948 684 H LYS 92 H LYS 92 -13.121 22.759 -1.949 685 HA LYS 92 HA LYS 92 -13.660 25.237 -3.096 686 HB2 LYS 92 HB2 LYS 92 -15.241 22.670 -3.366 687 HB3 LYS 92 HB3 LYS 92 -15.335 24.051 -4.459 688 HG2 LYS 92 HG2 LYS 92 -12.762 23.755 -4.708 689 HG3 LYS 92 HG3 LYS 92 -13.024 22.161 -4.004 690 HD2 LYS 92 HD2 LYS 92 -14.312 23.250 -6.523 691 HD3 LYS 92 HD3 LYS 92 -13.083 21.989 -6.437 692 HE2 LYS 92 HE2 LYS 92 -14.719 20.677 -4.985 693 HE3 LYS 92 HE3 LYS 92 -15.941 21.860 -5.450 694 HZ1 LYS 92 HZ1 LYS 92 -16.091 20.067 -6.960 695 HZ2 LYS 92 HZ2 LYS 92 -14.413 20.047 -7.227 696 HZ3 LYS 92 HZ3 LYS 92 -15.350 21.342 -7.802 697 H GLN 93 H GLN 93 -15.283 23.617 -0.492 698 HA GLN 93 HA GLN 93 -17.705 25.233 -0.709 699 HB2 GLN 93 HB2 GLN 93 -16.759 23.120 1.231 700 HB3 GLN 93 HB3 GLN 93 -18.239 24.043 1.484 701 HG2 GLN 93 HG2 GLN 93 -19.177 23.241 -0.592 702 HG3 GLN 93 HG3 GLN 93 -17.651 22.485 -1.045 703 HE21 GLN 93 HE21 GLN 93 -20.473 21.340 -0.404 704 HE22 GLN 93 HE22 GLN 93 -20.145 20.105 0.713 705 H ALA 94 H ALA 94 -14.638 25.295 0.902 706 HA ALA 94 HA ALA 94 -15.401 27.033 3.049 707 HB1 ALA 94 HB1 ALA 94 -13.364 25.528 3.013 708 HB2 ALA 94 HB2 ALA 94 -13.055 27.190 3.516 709 HB3 ALA 94 HB3 ALA 94 -12.634 26.671 1.884 710 H ILE 95 H ILE 95 -13.762 27.519 -0.071 711 HA ILE 95 HA ILE 95 -13.508 30.343 0.201 712 HB ILE 95 HB ILE 95 -13.650 28.820 -2.402 713 HG12 ILE 95 HG12 ILE 95 -12.131 27.565 -1.012 714 HG13 ILE 95 HG13 ILE 95 -11.160 28.545 -2.109 715 HG21 ILE 95 HG21 ILE 95 -12.025 30.561 -3.097 716 HG22 ILE 95 HG22 ILE 95 -12.155 31.298 -1.499 717 HG23 ILE 95 HG23 ILE 95 -13.556 31.260 -2.570 718 HD11 ILE 95 HD11 ILE 95 -10.141 28.841 0.010 719 HD12 ILE 95 HD12 ILE 95 -11.694 28.995 0.829 720 HD13 ILE 95 HD13 ILE 95 -11.112 30.295 -0.210 721 H HIS 96 H HIS 96 -16.094 28.246 -0.753 722 HA HIS 96 HA HIS 96 -17.593 30.089 -2.309 723 HB2 HIS 96 HB2 HIS 96 -17.956 27.615 -2.271 724 HB3 HIS 96 HB3 HIS 96 -18.638 27.780 -0.653 725 HD1 HIS 96 HD1 HIS 96 -19.346 28.520 -4.259 726 HD2 HIS 96 HD2 HIS 96 -21.206 29.027 -0.563 727 HE1 HIS 96 HE1 HIS 96 -21.740 29.179 -4.748 728 HE2 HIS 96 HE2 HIS 96 -22.890 29.490 -2.506 729 H HIS 97 H HIS 97 -18.150 28.980 1.046 730 HA HIS 97 HA HIS 97 -20.118 30.911 1.629 731 HB2 HIS 97 HB2 HIS 97 -19.705 28.795 2.916 732 HB3 HIS 97 HB3 HIS 97 -18.274 29.556 3.608 733 HD1 HIS 97 HD1 HIS 97 -21.897 30.681 3.106 734 HD2 HIS 97 HD2 HIS 97 -18.941 30.649 6.046 735 HE1 HIS 97 HE1 HIS 97 -22.906 31.787 5.145 736 HE2 HIS 97 HE2 HIS 97 -21.118 31.777 6.948 737 H ALA 98 H ALA 98 -16.704 31.167 1.413 738 HA ALA 98 HA ALA 98 -16.082 33.122 3.281 739 HB1 ALA 98 HB1 ALA 98 -14.457 31.930 1.790 740 HB2 ALA 98 HB2 ALA 98 -14.193 33.671 1.883 741 HB3 ALA 98 HB3 ALA 98 -14.981 32.973 0.467 742 H ASN 99 H ASN 99 -16.351 33.982 -0.155 743 HA ASN 99 HA ASN 99 -17.287 36.646 0.574 744 HB2 ASN 99 HB2 ASN 99 -17.137 37.008 -1.923 745 HB3 ASN 99 HB3 ASN 99 -15.622 36.577 -1.136 746 HD21 ASN 99 HD21 ASN 99 -15.334 35.957 -3.648 747 HD22 ASN 99 HD22 ASN 99 -15.679 34.336 -4.014 748 H HIS 100 H HIS 100 -19.075 37.598 -0.787 749 HA HIS 100 HA HIS 100 -21.140 35.788 -1.713 750 HB2 HIS 100 HB2 HIS 100 -21.447 37.355 0.853 751 HB3 HIS 100 HB3 HIS 100 -22.823 36.751 -0.071 752 HD1 HIS 100 HD1 HIS 100 -23.165 34.171 -0.169 753 HD2 HIS 100 HD2 HIS 100 -19.949 35.351 2.208 754 HE1 HIS 100 HE1 HIS 100 -22.505 32.145 1.197 755 HE2 HIS 100 HE2 HIS 100 -20.547 32.846 2.653 756 HA PRO 101 HA PRO 101 -21.201 40.107 -3.425 757 HB2 PRO 101 HB2 PRO 101 -20.293 39.641 -5.918 758 HB3 PRO 101 HB3 PRO 101 -19.177 39.712 -4.541 759 HG2 PRO 101 HG2 PRO 101 -20.317 37.314 -5.925 760 HG3 PRO 101 HG3 PRO 101 -18.652 37.615 -5.408 761 HD2 PRO 101 HD2 PRO 101 -20.490 36.123 -3.940 762 HD3 PRO 101 HD3 PRO 101 -19.089 36.944 -3.224 763 H LYS 102 H LYS 102 -22.443 37.042 -4.512 764 HA LYS 102 HA LYS 102 -24.178 37.964 -6.556 765 HB2 LYS 102 HB2 LYS 102 -23.459 35.563 -6.103 766 HB3 LYS 102 HB3 LYS 102 -24.652 35.549 -4.804 767 HG2 LYS 102 HG2 LYS 102 -26.388 36.247 -6.484 768 HG3 LYS 102 HG3 LYS 102 -25.176 36.047 -7.749 769 HD2 LYS 102 HD2 LYS 102 -24.859 33.673 -6.952 770 HD3 LYS 102 HD3 LYS 102 -26.240 33.910 -5.881 771 HE2 LYS 102 HE2 LYS 102 -27.675 34.413 -7.807 772 HE3 LYS 102 HE3 LYS 102 -26.297 34.248 -8.895 773 HZ1 LYS 102 HZ1 LYS 102 -27.991 32.248 -8.070 774 HZ2 LYS 102 HZ2 LYS 102 -26.555 31.978 -7.205 775 HZ3 LYS 102 HZ3 LYS 102 -26.522 32.057 -8.901 776 H GLU 103 H GLU 103 -26.271 38.648 -6.521 777 HA GLU 103 HA GLU 103 -27.986 38.465 -4.258 778 HB2 GLU 103 HB2 GLU 103 -26.342 40.215 -3.479 779 HB3 GLU 103 HB3 GLU 103 -26.907 41.238 -4.800 780 HG2 GLU 103 HG2 GLU 103 -29.179 41.192 -3.923 781 HG3 GLU 103 HG3 GLU 103 -28.705 40.050 -2.667 782 H ASN 9 H ASN 9 -3.696 40.319 -2.500 783 HA ASN 9 HA ASN 9 -5.296 39.351 -1.215 784 HB2 ASN 9 HB2 ASN 9 -5.884 37.182 -2.279 785 HB3 ASN 9 HB3 ASN 9 -5.434 38.405 -3.465 786 HD21 ASN 9 HD21 ASN 9 -5.049 36.204 -4.715 787 HD22 ASN 9 HD22 ASN 9 -3.482 35.562 -4.600 788 H THR 10 H THR 10 -3.267 39.396 0.535 789 HA THR 10 HA THR 10 -2.631 36.729 1.506 790 HB THR 10 HB THR 10 -0.970 38.528 1.686 791 HG1 THR 10 HG1 THR 10 -0.451 37.403 3.363 792 HG21 THR 10 HG21 THR 10 -2.925 39.820 3.609 793 HG22 THR 10 HG22 THR 10 -2.656 40.368 1.955 794 HG23 THR 10 HG23 THR 10 -1.345 40.442 3.132 795 H ASP 11 H ASP 11 -5.149 38.990 1.884 796 HA ASP 11 HA ASP 11 -5.877 38.314 4.586 797 HB2 ASP 11 HB2 ASP 11 -7.364 39.720 2.359 798 HB3 ASP 11 HB3 ASP 11 -8.016 39.496 3.980 799 H THR 12 H THR 12 -6.620 37.124 1.383 800 HA THR 12 HA THR 12 -8.967 35.716 1.809 801 HB THR 12 HB THR 12 -8.036 34.111 0.063 802 HG1 THR 12 HG1 THR 12 -6.068 34.816 -0.866 803 HG21 THR 12 HG21 THR 12 -7.824 37.078 -0.532 804 HG22 THR 12 HG22 THR 12 -9.335 36.171 -0.469 805 HG23 THR 12 HG23 THR 12 -8.134 35.797 -1.704 806 H LEU 13 H LEU 13 -5.653 34.836 2.661 807 HA LEU 13 HA LEU 13 -6.378 32.196 3.571 808 HB2 LEU 13 HB2 LEU 13 -3.877 33.875 3.727 809 HB3 LEU 13 HB3 LEU 13 -3.999 32.344 4.591 810 HG LEU 13 HG LEU 13 -4.443 31.155 2.515 811 HD11 LEU 13 HD11 LEU 13 -4.186 32.533 0.343 812 HD12 LEU 13 HD12 LEU 13 -4.493 33.944 1.356 813 HD13 LEU 13 HD13 LEU 13 -5.709 32.674 1.217 814 HD21 LEU 13 HD21 LEU 13 -2.279 31.341 1.523 815 HD22 LEU 13 HD22 LEU 13 -2.064 31.769 3.221 816 HD23 LEU 13 HD23 LEU 13 -2.131 33.035 1.993 817 H GLU 14 H GLU 14 -5.872 35.367 5.031 818 HA GLU 14 HA GLU 14 -5.893 34.561 7.736 819 HB2 GLU 14 HB2 GLU 14 -6.741 37.157 6.432 820 HB3 GLU 14 HB3 GLU 14 -6.589 36.931 8.174 821 HG2 GLU 14 HG2 GLU 14 -4.227 36.388 7.944 822 HG3 GLU 14 HG3 GLU 14 -4.351 36.447 6.187 823 H ARG 15 H ARG 15 -8.318 34.413 5.415 824 HA ARG 15 HA ARG 15 -10.552 34.733 7.297 825 HB2 ARG 15 HB2 ARG 15 -10.399 34.273 4.316 826 HB3 ARG 15 HB3 ARG 15 -11.916 34.270 5.217 827 HG2 ARG 15 HG2 ARG 15 -11.492 36.551 5.997 828 HG3 ARG 15 HG3 ARG 15 -9.925 36.560 5.186 829 HD2 ARG 15 HD2 ARG 15 -11.214 36.075 3.024 830 HD3 ARG 15 HD3 ARG 15 -12.673 36.480 3.927 831 HE ARG 15 HE ARG 15 -11.038 38.614 4.383 832 HH11 ARG 15 HH21 ARG 15 -12.116 36.914 1.567 833 HH12 ARG 15 HH22 ARG 15 -12.058 38.306 0.538 834 HH21 ARG 15 HH11 ARG 15 -10.954 40.440 3.038 835 HH22 ARG 15 HH12 ARG 15 -11.400 40.302 1.369 836 H VAL 16 H VAL 16 -9.870 32.315 4.773 837 HA VAL 16 HA VAL 16 -11.456 30.283 5.643 838 HB VAL 16 HB VAL 16 -9.947 28.734 4.509 839 HG11 VAL 16 HG11 VAL 16 -11.324 30.196 3.110 840 HG12 VAL 16 HG12 VAL 16 -9.753 29.954 2.346 841 HG13 VAL 16 HG13 VAL 16 -10.100 31.462 3.191 842 HG21 VAL 16 HG21 VAL 16 -7.769 29.752 3.607 843 HG22 VAL 16 HG22 VAL 16 -7.799 29.360 5.326 844 HG23 VAL 16 HG23 VAL 16 -8.001 31.031 4.798 845 H THR 17 H THR 17 -8.757 31.541 7.314 846 HA THR 17 HA THR 17 -8.087 29.142 8.764 847 HB THR 17 HB THR 17 -6.785 30.817 10.200 848 HG1 THR 17 HG1 THR 17 -7.439 32.561 8.077 849 HG21 THR 17 HG21 THR 17 -5.558 29.654 8.545 850 HG22 THR 17 HG22 THR 17 -5.221 31.354 8.220 851 HG23 THR 17 HG23 THR 17 -6.385 30.480 7.225 852 H GLU 18 H GLU 18 -9.711 32.204 9.642 853 HA GLU 18 HA GLU 18 -10.315 31.417 12.286 854 HB2 GLU 18 HB2 GLU 18 -12.077 33.271 12.102 855 HB3 GLU 18 HB3 GLU 18 -10.397 33.736 11.839 856 HG2 GLU 18 HG2 GLU 18 -10.673 33.844 9.491 857 HG3 GLU 18 HG3 GLU 18 -12.188 32.943 9.539 858 H ILE 19 H ILE 19 -11.672 30.453 9.304 859 HA ILE 19 HA ILE 19 -14.344 29.938 10.155 860 HB ILE 19 HB ILE 19 -12.757 28.512 8.008 861 HG12 ILE 19 HG12 ILE 19 -12.672 30.882 7.556 862 HG13 ILE 19 HG13 ILE 19 -13.850 30.159 6.467 863 HG21 ILE 19 HG21 ILE 19 -14.799 27.343 8.559 864 HG22 ILE 19 HG22 ILE 19 -15.039 28.180 7.026 865 HG23 ILE 19 HG23 ILE 19 -15.724 28.843 8.510 866 HD11 ILE 19 HD11 ILE 19 -14.319 31.906 8.868 867 HD12 ILE 19 HD12 ILE 19 -15.583 30.804 8.326 868 HD13 ILE 19 HD13 ILE 19 -14.981 32.055 7.242 869 H PHE 20 H PHE 20 -11.358 28.054 10.226 870 HA PHE 20 HA PHE 20 -12.594 25.610 11.021 871 HB2 PHE 20 HB2 PHE 20 -9.750 26.615 11.179 872 HB3 PHE 20 HB3 PHE 20 -10.225 25.001 11.704 873 HD1 PHE 20 HD1 PHE 20 -11.365 23.453 10.048 874 HD2 PHE 20 HD2 PHE 20 -9.450 27.112 8.872 875 HE1 PHE 20 HE1 PHE 20 -11.291 22.658 7.700 876 HE2 PHE 20 HE2 PHE 20 -9.376 26.318 6.522 877 HZ PHE 20 HZ PHE 20 -10.297 24.092 5.936 878 H LYS 21 H LYS 21 -10.391 27.679 12.917 879 HA LYS 21 HA LYS 21 -10.893 26.511 15.375 880 HB2 LYS 21 HB2 LYS 21 -10.142 29.382 14.775 881 HB3 LYS 21 HB3 LYS 21 -10.022 28.616 16.360 882 HG2 LYS 21 HG2 LYS 21 -8.363 27.083 15.609 883 HG3 LYS 21 HG3 LYS 21 -8.681 27.450 13.914 884 HD2 LYS 21 HD2 LYS 21 -6.596 28.533 14.757 885 HD3 LYS 21 HD3 LYS 21 -7.789 29.700 14.188 886 HE2 LYS 21 HE2 LYS 21 -8.402 30.316 16.393 887 HE3 LYS 21 HE3 LYS 21 -7.641 28.887 17.094 888 HZ1 LYS 21 HZ1 LYS 21 -5.909 30.647 15.562 889 HZ2 LYS 21 HZ2 LYS 21 -5.608 29.812 17.009 890 HZ3 LYS 21 HZ3 LYS 21 -6.482 31.268 17.034 891 H ALA 22 H ALA 22 -12.899 28.690 13.592 892 HA ALA 22 HA ALA 22 -14.341 29.992 15.547 893 HB1 ALA 22 HB1 ALA 22 -14.864 30.576 13.336 894 HB2 ALA 22 HB2 ALA 22 -16.314 29.736 13.879 895 HB3 ALA 22 HB3 ALA 22 -15.142 28.903 12.860 896 H LEU 23 H LEU 23 -14.556 26.615 14.583 897 HA LEU 23 HA LEU 23 -16.436 26.130 16.827 898 HB2 LEU 23 HB2 LEU 23 -17.473 24.349 15.491 899 HB3 LEU 23 HB3 LEU 23 -17.749 25.948 14.820 900 HG LEU 23 HG LEU 23 -15.389 24.352 13.826 901 HD11 LEU 23 HD11 LEU 23 -16.928 23.429 12.029 902 HD12 LEU 23 HD12 LEU 23 -18.279 23.904 13.058 903 HD13 LEU 23 HD13 LEU 23 -17.116 22.706 13.627 904 HD21 LEU 23 HD21 LEU 23 -15.575 26.600 12.961 905 HD22 LEU 23 HD22 LEU 23 -17.283 26.372 12.585 906 HD23 LEU 23 HD23 LEU 23 -16.055 25.494 11.680 907 H GLY 24 H GLY 24 -13.970 25.921 17.522 908 HA2 GLY 24 HA2 GLY 24 -12.907 23.236 17.026 909 HA3 GLY 24 HA3 GLY 24 -12.142 24.512 17.965 910 H ASP 25 H ASP 25 -14.815 24.938 19.364 911 HA ASP 25 HA ASP 25 -14.284 23.113 21.546 912 HB2 ASP 25 HB2 ASP 25 -14.916 25.557 21.798 913 HB3 ASP 25 HB3 ASP 25 -16.550 25.097 21.321 914 H TYR 26 H TYR 26 -15.321 21.275 21.995 915 HA TYR 26 HA TYR 26 -16.956 19.945 20.227 916 HB2 TYR 26 HB2 TYR 26 -16.957 19.630 23.238 917 HB3 TYR 26 HB3 TYR 26 -17.501 18.431 22.066 918 HD1 TYR 26 HD1 TYR 26 -14.553 20.276 23.350 919 HD2 TYR 26 HD2 TYR 26 -15.937 17.092 20.820 920 HE1 TYR 26 HE1 TYR 26 -12.229 19.436 23.134 921 HE2 TYR 26 HE2 TYR 26 -13.614 16.252 20.606 922 HH TYR 26 HH TYR 26 -10.882 18.023 22.008 923 H ASN 27 H ASN 27 -18.203 21.099 23.352 924 HA ASN 27 HA ASN 27 -20.824 20.792 23.131 925 HB2 ASN 27 HB2 ASN 27 -19.614 21.990 24.980 926 HB3 ASN 27 HB3 ASN 27 -19.684 23.452 23.998 927 HD21 ASN 27 HD21 ASN 27 -21.104 24.459 25.643 928 HD22 ASN 27 HD22 ASN 27 -22.738 24.013 25.750 929 H ARG 28 H ARG 28 -19.055 23.267 21.345 930 HA ARG 28 HA ARG 28 -21.365 24.636 20.409 931 HB2 ARG 28 HB2 ARG 28 -18.506 24.591 19.438 932 HB3 ARG 28 HB3 ARG 28 -19.749 25.627 18.739 933 HG2 ARG 28 HG2 ARG 28 -20.178 26.567 21.021 934 HG3 ARG 28 HG3 ARG 28 -18.822 25.614 21.626 935 HD2 ARG 28 HD2 ARG 28 -17.382 26.748 19.874 936 HD3 ARG 28 HD3 ARG 28 -18.740 27.825 19.559 937 HE ARG 28 HE ARG 28 -18.136 27.784 22.340 938 HH11 ARG 28 HH21 ARG 28 -17.018 28.924 19.269 939 HH12 ARG 28 HH22 ARG 28 -16.214 30.311 19.921 940 HH21 ARG 28 HH11 ARG 28 -17.090 29.608 23.201 941 HH22 ARG 28 HH12 ARG 28 -16.256 30.699 22.147 942 H ILE 29 H ILE 29 -19.466 21.954 19.109 943 HA ILE 29 HA ILE 29 -20.428 22.037 16.491 944 HB ILE 29 HB ILE 29 -18.552 20.581 17.544 945 HG12 ILE 29 HG12 ILE 29 -20.423 19.486 15.429 946 HG13 ILE 29 HG13 ILE 29 -19.058 20.570 15.162 947 HG21 ILE 29 HG21 ILE 29 -19.065 18.447 18.350 948 HG22 ILE 29 HG22 ILE 29 -20.669 18.437 17.618 949 HG23 ILE 29 HG23 ILE 29 -20.362 19.415 19.045 950 HD11 ILE 29 HD11 ILE 29 -17.604 18.757 16.244 951 HD12 ILE 29 HD12 ILE 29 -18.244 18.389 14.642 952 HD13 ILE 29 HD13 ILE 29 -18.996 17.688 16.075 953 H ARG 30 H ARG 30 -21.929 20.867 19.413 954 HA ARG 30 HA ARG 30 -23.977 19.359 18.066 955 HB2 ARG 30 HB2 ARG 30 -23.104 18.949 20.423 956 HB3 ARG 30 HB3 ARG 30 -24.043 20.358 20.915 957 HG2 ARG 30 HG2 ARG 30 -26.060 19.238 19.834 958 HG3 ARG 30 HG3 ARG 30 -25.074 17.783 19.702 959 HD2 ARG 30 HD2 ARG 30 -25.825 19.250 22.245 960 HD3 ARG 30 HD3 ARG 30 -26.357 17.644 21.753 961 HE ARG 30 HE ARG 30 -23.530 17.694 21.858 962 HH11 ARG 30 HH21 ARG 30 -26.343 17.819 23.872 963 HH12 ARG 30 HH22 ARG 30 -25.563 17.099 25.241 964 HH21 ARG 30 HH11 ARG 30 -22.499 16.762 23.654 965 HH22 ARG 30 HH12 ARG 30 -23.387 16.501 25.117 966 H ILE 31 H ILE 31 -23.671 22.625 19.354 967 HA ILE 31 HA ILE 31 -26.379 23.330 19.429 968 HB ILE 31 HB ILE 31 -24.023 25.105 18.745 969 HG12 ILE 31 HG12 ILE 31 -25.331 24.506 21.417 970 HG13 ILE 31 HG13 ILE 31 -23.810 23.800 20.877 971 HG21 ILE 31 HG21 ILE 31 -25.525 26.874 19.723 972 HG22 ILE 31 HG22 ILE 31 -26.823 25.681 19.762 973 HG23 ILE 31 HG23 ILE 31 -26.136 26.188 18.219 974 HD11 ILE 31 HD11 ILE 31 -24.413 26.670 21.567 975 HD12 ILE 31 HD12 ILE 31 -23.043 26.267 20.532 976 HD13 ILE 31 HD13 ILE 31 -23.121 25.637 22.177 977 H MET 32 H MET 32 -24.031 23.628 16.766 978 HA MET 32 HA MET 32 -25.903 24.761 14.937 979 HB2 MET 32 HB2 MET 32 -23.251 23.372 14.497 980 HB3 MET 32 HB3 MET 32 -24.166 24.185 13.227 981 HG2 MET 32 HG2 MET 32 -24.018 26.303 14.402 982 HG3 MET 32 HG3 MET 32 -23.268 25.524 15.795 983 HE1 MET 32 HE1 MET 32 -19.853 24.525 14.838 984 HE2 MET 32 HE2 MET 32 -21.344 24.088 15.673 985 HE3 MET 32 HE3 MET 32 -20.546 25.617 16.039 986 H GLU 33 H GLU 33 -24.845 21.469 15.641 987 HA GLU 33 HA GLU 33 -25.925 20.141 13.435 988 HB2 GLU 33 HB2 GLU 33 -24.469 19.184 15.303 989 HB3 GLU 33 HB3 GLU 33 -25.950 19.040 16.248 990 HG2 GLU 33 HG2 GLU 33 -26.949 17.616 14.534 991 HG3 GLU 33 HG3 GLU 33 -25.536 17.826 13.499 992 H LEU 34 H LEU 34 -27.474 21.384 16.331 993 HA LEU 34 HA LEU 34 -29.951 20.017 15.959 994 HB2 LEU 34 HB2 LEU 34 -29.365 20.839 18.154 995 HB3 LEU 34 HB3 LEU 34 -29.211 22.485 17.548 996 HG LEU 34 HG LEU 34 -31.591 22.615 17.112 997 HD11 LEU 34 HD11 LEU 34 -31.516 19.662 17.745 998 HD12 LEU 34 HD12 LEU 34 -32.213 20.468 16.339 999 HD13 LEU 34 HD13 LEU 34 -33.010 20.585 17.904 1000 HD21 LEU 34 HD21 LEU 34 -31.146 21.308 19.810 1001 HD22 LEU 34 HD22 LEU 34 -32.434 22.436 19.385 1002 HD23 LEU 34 HD23 LEU 34 -30.761 22.990 19.442 1003 H LEU 35 H LEU 35 -28.818 23.306 15.196 1004 HA LEU 35 HA LEU 35 -31.252 24.232 14.092 1005 HB2 LEU 35 HB2 LEU 35 -28.483 25.122 13.267 1006 HB3 LEU 35 HB3 LEU 35 -29.979 26.051 13.192 1007 HG LEU 35 HG LEU 35 -28.580 25.104 15.710 1008 HD11 LEU 35 HD11 LEU 35 -29.081 27.897 14.640 1009 HD12 LEU 35 HD12 LEU 35 -27.549 27.036 14.495 1010 HD13 LEU 35 HD13 LEU 35 -28.166 27.475 16.088 1011 HD21 LEU 35 HD21 LEU 35 -31.243 26.449 15.229 1012 HD22 LEU 35 HD22 LEU 35 -30.380 26.664 16.752 1013 HD23 LEU 35 HD23 LEU 35 -30.880 25.054 16.247 1014 H SER 36 H SER 36 -29.269 21.780 13.004 1015 HA SER 36 HA SER 36 -29.585 22.281 10.152 1016 HB2 SER 36 HB2 SER 36 -27.580 21.118 11.209 1017 HB3 SER 36 HB3 SER 36 -28.645 19.740 11.485 1018 HG SER 36 HG SER 36 -27.659 19.456 9.516 1019 H VAL 37 H VAL 37 -30.587 19.697 12.409 1020 HA VAL 37 HA VAL 37 -32.399 18.446 10.664 1021 HB VAL 37 HB VAL 37 -32.633 18.559 13.676 1022 HG11 VAL 37 HG11 VAL 37 -33.535 16.257 13.324 1023 HG12 VAL 37 HG12 VAL 37 -33.415 16.508 11.582 1024 HG13 VAL 37 HG13 VAL 37 -34.517 17.496 12.541 1025 HG21 VAL 37 HG21 VAL 37 -30.867 16.845 11.902 1026 HG22 VAL 37 HG22 VAL 37 -31.158 16.529 13.612 1027 HG23 VAL 37 HG23 VAL 37 -30.330 18.006 13.116 1028 H SER 38 H SER 38 -32.835 21.070 12.997 1029 HA SER 38 HA SER 38 -35.110 22.081 11.571 1030 HB2 SER 38 HB2 SER 38 -35.532 20.729 14.244 1031 HB3 SER 38 HB3 SER 38 -36.675 21.874 13.542 1032 HG SER 38 HG SER 38 -37.381 20.010 12.752 1033 H GLU 39 H GLU 39 -35.788 24.140 12.353 1034 HA GLU 39 HA GLU 39 -33.701 25.677 13.527 1035 HB2 GLU 39 HB2 GLU 39 -36.614 26.386 13.084 1036 HB3 GLU 39 HB3 GLU 39 -35.321 27.529 13.448 1037 HG2 GLU 39 HG2 GLU 39 -35.572 27.584 11.077 1038 HG3 GLU 39 HG3 GLU 39 -34.129 26.617 11.377 1039 H ALA 40 H ALA 40 -33.972 27.033 15.480 1040 HA ALA 40 HA ALA 40 -35.828 26.124 17.518 1041 HB1 ALA 40 HB1 ALA 40 -34.181 24.414 17.832 1042 HB2 ALA 40 HB2 ALA 40 -33.942 25.594 19.119 1043 HB3 ALA 40 HB3 ALA 40 -32.861 25.579 17.725 1044 H SER 41 H SER 41 -36.271 27.724 18.919 1045 HA SER 41 HA SER 41 -34.999 30.299 18.523 1046 HB2 SER 41 HB2 SER 41 -36.773 31.190 19.774 1047 HB3 SER 41 HB3 SER 41 -37.511 29.814 18.957 1048 HG SER 41 HG SER 41 -36.896 30.192 21.633 1049 H VAL 42 H VAL 42 -35.160 31.396 21.043 1050 HA VAL 42 HA VAL 42 -32.691 30.465 22.191 1051 HB VAL 42 HB VAL 42 -34.619 32.625 23.076 1052 HG11 VAL 42 HG11 VAL 42 -32.551 33.400 24.362 1053 HG12 VAL 42 HG12 VAL 42 -31.881 31.795 24.065 1054 HG13 VAL 42 HG13 VAL 42 -33.362 31.972 25.005 1055 HG21 VAL 42 HG21 VAL 42 -32.053 32.607 21.465 1056 HG22 VAL 42 HG22 VAL 42 -32.724 34.074 22.178 1057 HG23 VAL 42 HG23 VAL 42 -33.640 33.188 20.957 1058 H GLY 43 H GLY 43 -35.850 31.071 23.751 1059 HA2 GLY 43 HA2 GLY 43 -35.324 29.668 26.097 1060 HA3 GLY 43 HA3 GLY 43 -36.934 29.971 25.456 1061 H HIS 44 H HIS 44 -35.979 28.440 22.951 1062 HA HIS 44 HA HIS 44 -37.047 25.902 23.811 1063 HB2 HIS 44 HB2 HIS 44 -36.081 26.952 21.148 1064 HB3 HIS 44 HB3 HIS 44 -36.659 25.301 21.369 1065 HD1 HIS 44 HD1 HIS 44 -38.730 26.710 23.660 1066 HD2 HIS 44 HD2 HIS 44 -38.560 27.212 19.524 1067 HE1 HIS 44 HE1 HIS 44 -41.020 27.514 22.944 1068 HE2 HIS 44 HE2 HIS 44 -40.934 27.829 20.425 1069 H ILE 45 H ILE 45 -33.907 27.204 23.640 1070 HA ILE 45 HA ILE 45 -32.544 24.776 22.950 1071 HB ILE 45 HB ILE 45 -31.704 27.202 22.697 1072 HG12 ILE 45 HG12 ILE 45 -29.327 26.474 23.118 1073 HG13 ILE 45 HG13 ILE 45 -29.963 25.012 23.860 1074 HG21 ILE 45 HG21 ILE 45 -30.677 28.276 24.507 1075 HG22 ILE 45 HG22 ILE 45 -30.582 26.798 25.465 1076 HG23 ILE 45 HG23 ILE 45 -32.131 27.599 25.240 1077 HD11 ILE 45 HD11 ILE 45 -30.594 24.104 21.849 1078 HD12 ILE 45 HD12 ILE 45 -29.290 25.132 21.266 1079 HD13 ILE 45 HD13 ILE 45 -30.961 25.665 21.115 1080 H SER 46 H SER 46 -33.846 26.095 25.847 1081 HA SER 46 HA SER 46 -32.232 24.964 27.813 1082 HB2 SER 46 HB2 SER 46 -35.245 25.217 27.929 1083 HB3 SER 46 HB3 SER 46 -34.131 25.167 29.294 1084 HG SER 46 HG SER 46 -34.621 27.295 28.871 1085 H HIS 47 H HIS 47 -33.974 23.365 25.437 1086 HA HIS 47 HA HIS 47 -34.608 20.984 26.994 1087 HB2 HIS 47 HB2 HIS 47 -34.767 21.482 24.011 1088 HB3 HIS 47 HB3 HIS 47 -35.450 20.103 24.874 1089 HD1 HIS 47 HD1 HIS 47 -35.894 22.823 27.089 1090 HD2 HIS 47 HD2 HIS 47 -37.845 21.638 23.601 1091 HE1 HIS 47 HE1 HIS 47 -38.153 23.963 27.112 1092 HE2 HIS 47 HE2 HIS 47 -39.357 23.250 24.993 1093 H GLN 48 H GLN 48 -32.140 22.140 24.805 1094 HA GLN 48 HA GLN 48 -30.831 19.499 24.701 1095 HB2 GLN 48 HB2 GLN 48 -31.151 21.032 22.652 1096 HB3 GLN 48 HB3 GLN 48 -29.879 22.026 23.355 1097 HG2 GLN 48 HG2 GLN 48 -28.731 20.546 21.906 1098 HG3 GLN 48 HG3 GLN 48 -28.506 19.847 23.508 1099 HE21 GLN 48 HE21 GLN 48 -28.484 17.611 23.047 1100 HE22 GLN 48 HE22 GLN 48 -29.738 16.802 22.240 1101 H LEU 49 H LEU 49 -29.906 22.892 25.345 1102 HA LEU 49 HA LEU 49 -27.674 21.965 27.040 1103 HB2 LEU 49 HB2 LEU 49 -28.376 24.601 25.750 1104 HB3 LEU 49 HB3 LEU 49 -27.166 24.498 27.024 1105 HG LEU 49 HG LEU 49 -25.967 22.758 25.660 1106 HD11 LEU 49 HD11 LEU 49 -28.118 23.538 23.681 1107 HD12 LEU 49 HD12 LEU 49 -27.673 21.919 24.220 1108 HD13 LEU 49 HD13 LEU 49 -26.587 22.828 23.173 1109 HD21 LEU 49 HD21 LEU 49 -25.018 24.392 24.084 1110 HD22 LEU 49 HD22 LEU 49 -25.296 25.136 25.658 1111 HD23 LEU 49 HD23 LEU 49 -26.412 25.445 24.328 1112 H ASN 50 H ASN 50 -30.038 21.391 28.218 1113 HA ASN 50 HA ASN 50 -31.409 23.240 29.701 1114 HB2 ASN 50 HB2 ASN 50 -30.453 20.585 30.791 1115 HB3 ASN 50 HB3 ASN 50 -31.884 21.487 31.289 1116 HD21 ASN 50 HD21 ASN 50 -33.612 20.210 30.552 1117 HD22 ASN 50 HD22 ASN 50 -33.778 19.657 28.956 1118 H LEU 51 H LEU 51 -30.012 24.964 30.243 1119 HA LEU 51 HA LEU 51 -28.721 24.656 32.827 1120 HB2 LEU 51 HB2 LEU 51 -26.912 23.902 31.447 1121 HB3 LEU 51 HB3 LEU 51 -27.142 25.229 30.314 1122 HG LEU 51 HG LEU 51 -26.364 26.841 31.920 1123 HD11 LEU 51 HD11 LEU 51 -25.579 25.940 34.213 1124 HD12 LEU 51 HD12 LEU 51 -26.582 24.534 33.860 1125 HD13 LEU 51 HD13 LEU 51 -27.313 26.135 33.976 1126 HD21 LEU 51 HD21 LEU 51 -24.086 25.933 32.424 1127 HD22 LEU 51 HD22 LEU 51 -24.593 25.641 30.760 1128 HD23 LEU 51 HD23 LEU 51 -24.658 24.335 31.945 1129 H SER 52 H SER 52 -28.432 26.946 30.086 1130 HA SER 52 HA SER 52 -29.946 28.960 31.474 1131 HB2 SER 52 HB2 SER 52 -27.003 29.499 31.034 1132 HB3 SER 52 HB3 SER 52 -28.182 30.579 31.776 1133 HG SER 52 HG SER 52 -28.440 29.006 33.425 1134 H GLN 53 H GLN 53 -30.753 30.445 30.042 1135 HA GLN 53 HA GLN 53 -30.291 29.972 27.237 1136 HB2 GLN 53 HB2 GLN 53 -31.917 32.123 28.617 1137 HB3 GLN 53 HB3 GLN 53 -31.973 31.728 26.899 1138 HG2 GLN 53 HG2 GLN 53 -33.809 30.561 27.864 1139 HG3 GLN 53 HG3 GLN 53 -32.561 29.340 27.627 1140 HE21 GLN 53 HE21 GLN 53 -33.313 28.001 29.407 1141 HE22 GLN 53 HE22 GLN 53 -33.151 28.495 31.023 1142 H SER 54 H SER 54 -29.726 32.705 29.455 1143 HA SER 54 HA SER 54 -28.655 34.545 27.707 1144 HB2 SER 54 HB2 SER 54 -29.071 34.851 30.184 1145 HB3 SER 54 HB3 SER 54 -27.543 34.017 30.468 1146 HG SER 54 HG SER 54 -27.883 36.336 28.869 1147 H ASN 55 H ASN 55 -27.205 31.621 28.944 1148 HA ASN 55 HA ASN 55 -24.507 32.215 28.270 1149 HB2 ASN 55 HB2 ASN 55 -25.997 29.630 28.719 1150 HB3 ASN 55 HB3 ASN 55 -24.285 29.661 28.305 1151 HD21 ASN 55 HD21 ASN 55 -25.398 32.371 30.163 1152 HD22 ASN 55 HD22 ASN 55 -24.781 31.862 31.661 1153 H VAL 56 H VAL 56 -27.145 30.617 26.523 1154 HA VAL 56 HA VAL 56 -25.545 29.981 24.230 1155 HB VAL 56 HB VAL 56 -28.553 30.150 24.537 1156 HG11 VAL 56 HG11 VAL 56 -26.765 28.946 22.405 1157 HG12 VAL 56 HG12 VAL 56 -27.951 30.235 22.195 1158 HG13 VAL 56 HG13 VAL 56 -28.487 28.592 22.551 1159 HG21 VAL 56 HG21 VAL 56 -27.403 28.544 26.066 1160 HG22 VAL 56 HG22 VAL 56 -26.674 27.770 24.660 1161 HG23 VAL 56 HG23 VAL 56 -28.424 27.734 24.879 1162 H SER 57 H SER 57 -27.695 32.631 25.136 1163 HA SER 57 HA SER 57 -27.875 33.911 22.640 1164 HB2 SER 57 HB2 SER 57 -28.602 35.833 23.839 1165 HB3 SER 57 HB3 SER 57 -29.161 34.449 24.778 1166 HG SER 57 HG SER 57 -27.553 34.767 26.225 1167 H HIS 58 H HIS 58 -25.358 33.850 25.067 1168 HA HIS 58 HA HIS 58 -23.828 36.009 23.922 1169 HB2 HIS 58 HB2 HIS 58 -22.879 33.845 25.812 1170 HB3 HIS 58 HB3 HIS 58 -22.139 35.420 25.535 1171 HD1 HIS 58 HD1 HIS 58 -23.212 34.484 28.352 1172 HD2 HIS 58 HD2 HIS 58 -25.306 36.898 25.675 1173 HE1 HIS 58 HE1 HIS 58 -24.900 35.776 29.725 1174 HE2 HIS 58 HE2 HIS 58 -26.183 37.256 28.110 1175 H GLN 59 H GLN 59 -23.126 32.520 24.252 1176 HA GLN 59 HA GLN 59 -20.968 32.331 22.573 1177 HB2 GLN 59 HB2 GLN 59 -22.105 30.493 23.957 1178 HB3 GLN 59 HB3 GLN 59 -23.169 30.263 22.571 1179 HG2 GLN 59 HG2 GLN 59 -20.144 30.161 22.385 1180 HG3 GLN 59 HG3 GLN 59 -21.156 28.739 22.617 1181 HE21 GLN 59 HE21 GLN 59 -23.340 29.462 20.894 1182 HE22 GLN 59 HE22 GLN 59 -22.763 29.466 19.298 1183 H LEU 60 H LEU 60 -24.408 32.247 21.640 1184 HA LEU 60 HA LEU 60 -24.048 31.727 18.915 1185 HB2 LEU 60 HB2 LEU 60 -26.225 31.810 20.298 1186 HB3 LEU 60 HB3 LEU 60 -26.194 33.542 20.008 1187 HG LEU 60 HG LEU 60 -25.896 32.849 17.480 1188 HD11 LEU 60 HD11 LEU 60 -27.084 30.342 18.710 1189 HD12 LEU 60 HD12 LEU 60 -25.608 30.458 17.752 1190 HD13 LEU 60 HD13 LEU 60 -27.173 30.734 16.996 1191 HD21 LEU 60 HD21 LEU 60 -28.486 32.592 19.027 1192 HD22 LEU 60 HD22 LEU 60 -28.405 32.645 17.267 1193 HD23 LEU 60 HD23 LEU 60 -27.860 34.028 18.216 1194 H LYS 61 H LYS 61 -23.788 34.709 20.751 1195 HA LYS 61 HA LYS 61 -23.829 36.530 18.605 1196 HB2 LYS 61 HB2 LYS 61 -23.927 37.020 21.123 1197 HB3 LYS 61 HB3 LYS 61 -22.176 36.863 21.109 1198 HG2 LYS 61 HG2 LYS 61 -22.422 39.160 20.773 1199 HG3 LYS 61 HG3 LYS 61 -22.302 38.586 19.115 1200 HD2 LYS 61 HD2 LYS 61 -24.726 38.662 18.866 1201 HD3 LYS 61 HD3 LYS 61 -24.922 39.061 20.572 1202 HE2 LYS 61 HE2 LYS 61 -23.534 41.132 20.150 1203 HE3 LYS 61 HE3 LYS 61 -23.628 40.762 18.428 1204 HZ1 LYS 61 HZ1 LYS 61 -25.654 41.801 20.205 1205 HZ2 LYS 61 HZ2 LYS 61 -26.193 40.558 19.182 1206 HZ3 LYS 61 HZ3 LYS 61 -25.499 41.961 18.522 1207 H LEU 62 H LEU 62 -21.306 34.465 19.875 1208 HA LEU 62 HA LEU 62 -19.183 35.752 18.390 1209 HB2 LEU 62 HB2 LEU 62 -19.392 33.215 20.004 1210 HB3 LEU 62 HB3 LEU 62 -17.946 33.584 19.076 1211 HG LEU 62 HG LEU 62 -17.882 34.290 21.502 1212 HD11 LEU 62 HD11 LEU 62 -16.603 35.426 19.500 1213 HD12 LEU 62 HD12 LEU 62 -16.609 36.181 21.088 1214 HD13 LEU 62 HD13 LEU 62 -17.679 36.782 19.829 1215 HD21 LEU 62 HD21 LEU 62 -19.199 36.112 22.272 1216 HD22 LEU 62 HD22 LEU 62 -20.322 35.018 21.465 1217 HD23 LEU 62 HD23 LEU 62 -19.773 36.484 20.647 1218 H LEU 63 H LEU 63 -21.513 33.234 17.852 1219 HA LEU 63 HA LEU 63 -20.139 31.985 15.669 1220 HB2 LEU 63 HB2 LEU 63 -21.936 30.890 17.058 1221 HB3 LEU 63 HB3 LEU 63 -23.102 31.952 16.282 1222 HG LEU 63 HG LEU 63 -22.313 31.050 14.050 1223 HD11 LEU 63 HD11 LEU 63 -21.296 28.648 14.356 1224 HD12 LEU 63 HD12 LEU 63 -20.734 29.271 15.903 1225 HD13 LEU 63 HD13 LEU 63 -20.230 30.042 14.401 1226 HD21 LEU 63 HD21 LEU 63 -23.490 29.063 16.014 1227 HD22 LEU 63 HD22 LEU 63 -23.657 29.009 14.259 1228 HD23 LEU 63 HD23 LEU 63 -24.393 30.324 15.174 1229 H LYS 64 H LYS 64 -22.436 34.612 16.026 1230 HA LYS 64 HA LYS 64 -23.068 34.852 13.250 1231 HB2 LYS 64 HB2 LYS 64 -24.429 35.743 15.206 1232 HB3 LYS 64 HB3 LYS 64 -23.246 37.045 15.320 1233 HG2 LYS 64 HG2 LYS 64 -23.678 37.618 12.942 1234 HG3 LYS 64 HG3 LYS 64 -24.909 36.361 12.875 1235 HD2 LYS 64 HD2 LYS 64 -25.038 38.544 14.962 1236 HD3 LYS 64 HD3 LYS 64 -25.655 38.817 13.337 1237 HE2 LYS 64 HE2 LYS 64 -27.088 36.762 13.607 1238 HE3 LYS 64 HE3 LYS 64 -26.565 36.685 15.290 1239 HZ1 LYS 64 HZ1 LYS 64 -28.188 38.101 15.740 1240 HZ2 LYS 64 HZ2 LYS 64 -28.524 38.351 14.095 1241 HZ3 LYS 64 HZ3 LYS 64 -27.340 39.289 14.871 1242 H SER 65 H SER 65 -20.491 36.011 15.285 1243 HA SER 65 HA SER 65 -19.527 38.206 13.911 1244 HB2 SER 65 HB2 SER 65 -18.575 37.149 16.020 1245 HB3 SER 65 HB3 SER 65 -17.754 35.998 14.967 1246 HG SER 65 HG SER 65 -16.994 38.436 15.607 1247 H VAL 66 H VAL 66 -18.755 34.779 13.296 1248 HA VAL 66 HA VAL 66 -17.406 35.402 10.810 1249 HB VAL 66 HB VAL 66 -18.284 32.669 11.750 1250 HG11 VAL 66 HG11 VAL 66 -15.986 33.701 10.057 1251 HG12 VAL 66 HG12 VAL 66 -17.363 32.752 9.498 1252 HG13 VAL 66 HG13 VAL 66 -16.168 32.025 10.570 1253 HG21 VAL 66 HG21 VAL 66 -15.931 34.351 12.641 1254 HG22 VAL 66 HG22 VAL 66 -15.983 32.599 12.834 1255 HG23 VAL 66 HG23 VAL 66 -17.171 33.612 13.654 1256 H HIS 67 H HIS 67 -20.569 35.254 11.747 1257 HA HIS 67 HA HIS 67 -22.570 35.115 10.643 1258 HB2 HIS 67 HB2 HIS 67 -20.791 35.664 8.254 1259 HB3 HIS 67 HB3 HIS 67 -22.548 35.817 8.277 1260 HD1 HIS 67 HD1 HIS 67 -19.609 37.802 8.708 1261 HD2 HIS 67 HD2 HIS 67 -23.341 37.710 10.565 1262 HE1 HIS 67 HE1 HIS 67 -19.878 40.027 9.885 1263 HE2 HIS 67 HE2 HIS 67 -22.146 39.987 11.024 1264 H LEU 68 H LEU 68 -20.875 32.643 10.932 1265 HA LEU 68 HA LEU 68 -21.066 30.973 8.710 1266 HB2 LEU 68 HB2 LEU 68 -21.155 30.475 11.675 1267 HB3 LEU 68 HB3 LEU 68 -21.337 29.133 10.554 1268 HG LEU 68 HG LEU 68 -19.026 31.051 10.226 1269 HD11 LEU 68 HD11 LEU 68 -19.191 28.726 12.158 1270 HD12 LEU 68 HD12 LEU 68 -18.828 30.408 12.539 1271 HD13 LEU 68 HD13 LEU 68 -17.673 29.444 11.619 1272 HD21 LEU 68 HD21 LEU 68 -19.473 28.116 9.592 1273 HD22 LEU 68 HD22 LEU 68 -17.939 28.953 9.378 1274 HD23 LEU 68 HD23 LEU 68 -19.343 29.439 8.434 1275 H VAL 69 H VAL 69 -23.536 32.469 10.417 1276 HA VAL 69 HA VAL 69 -25.577 30.865 9.035 1277 HB VAL 69 HB VAL 69 -26.935 30.833 11.161 1278 HG11 VAL 69 HG11 VAL 69 -25.818 28.860 12.042 1279 HG12 VAL 69 HG12 VAL 69 -24.294 29.347 11.300 1280 HG13 VAL 69 HG13 VAL 69 -25.653 28.862 10.287 1281 HG21 VAL 69 HG21 VAL 69 -24.245 31.552 12.370 1282 HG22 VAL 69 HG22 VAL 69 -25.681 31.084 13.279 1283 HG23 VAL 69 HG23 VAL 69 -25.673 32.585 12.355 1284 H LYS 70 H LYS 70 -27.789 31.916 9.425 1285 HA LYS 70 HA LYS 70 -27.610 34.862 9.654 1286 HB2 LYS 70 HB2 LYS 70 -27.532 34.059 7.232 1287 HB3 LYS 70 HB3 LYS 70 -29.176 33.469 7.478 1288 HG2 LYS 70 HG2 LYS 70 -29.867 35.757 8.169 1289 HG3 LYS 70 HG3 LYS 70 -28.233 36.332 7.834 1290 HD2 LYS 70 HD2 LYS 70 -28.480 35.565 5.477 1291 HD3 LYS 70 HD3 LYS 70 -30.140 35.088 5.829 1292 HE2 LYS 70 HE2 LYS 70 -30.206 37.291 4.833 1293 HE3 LYS 70 HE3 LYS 70 -30.585 37.466 6.546 1294 HZ1 LYS 70 HZ1 LYS 70 -28.863 39.031 5.497 1295 HZ2 LYS 70 HZ2 LYS 70 -27.806 37.705 5.593 1296 HZ3 LYS 70 HZ3 LYS 70 -28.509 38.335 7.005 1297 H ALA 71 H ALA 71 -29.518 35.862 10.313 1298 HA ALA 71 HA ALA 71 -31.740 34.107 11.203 1299 HB1 ALA 71 HB1 ALA 71 -30.102 34.721 13.060 1300 HB2 ALA 71 HB2 ALA 71 -31.788 35.156 13.337 1301 HB3 ALA 71 HB3 ALA 71 -30.629 36.389 12.840 1302 H LYS 72 H LYS 72 -33.736 35.251 11.573 1303 HA LYS 72 HA LYS 72 -33.977 37.874 10.208 1304 HB2 LYS 72 HB2 LYS 72 -34.580 35.887 8.720 1305 HB3 LYS 72 HB3 LYS 72 -35.928 35.599 9.821 1306 HG2 LYS 72 HG2 LYS 72 -36.577 38.042 9.443 1307 HG3 LYS 72 HG3 LYS 72 -35.407 38.050 8.123 1308 HD2 LYS 72 HD2 LYS 72 -37.816 36.224 8.388 1309 HD3 LYS 72 HD3 LYS 72 -37.624 37.543 7.234 1310 HE2 LYS 72 HE2 LYS 72 -36.182 34.897 7.323 1311 HE3 LYS 72 HE3 LYS 72 -37.053 35.631 5.978 1312 HZ1 LYS 72 HZ1 LYS 72 -34.348 36.133 6.938 1313 HZ2 LYS 72 HZ2 LYS 72 -35.220 37.483 6.388 1314 HZ3 LYS 72 HZ3 LYS 72 -34.963 36.159 5.355 1315 H ARG 73 H ARG 73 -35.621 39.184 10.951 1316 HA ARG 73 HA ARG 73 -36.646 38.545 13.629 1317 HB2 ARG 73 HB2 ARG 73 -36.753 41.098 12.002 1318 HB3 ARG 73 HB3 ARG 73 -37.298 40.921 13.670 1319 HG2 ARG 73 HG2 ARG 73 -35.067 40.423 14.427 1320 HG3 ARG 73 HG3 ARG 73 -34.474 40.297 12.770 1321 HD2 ARG 73 HD2 ARG 73 -35.599 42.816 14.027 1322 HD3 ARG 73 HD3 ARG 73 -33.884 42.476 13.817 1323 HE ARG 73 HE ARG 73 -35.762 43.262 11.746 1324 HH11 ARG 73 HH21 ARG 73 -32.722 41.822 12.560 1325 HH12 ARG 73 HH22 ARG 73 -32.022 42.086 10.998 1326 HH21 ARG 73 HH11 ARG 73 -34.853 43.605 9.694 1327 HH22 ARG 73 HH12 ARG 73 -33.230 43.091 9.375 1328 H GLN 74 H GLN 74 -38.748 38.136 14.055 1329 HA GLN 74 HA GLN 74 -40.797 38.626 11.983 1330 HB2 GLN 74 HB2 GLN 74 -39.929 36.258 11.811 1331 HB3 GLN 74 HB3 GLN 74 -40.537 35.993 13.446 1332 HG2 GLN 74 HG2 GLN 74 -42.803 36.620 12.714 1333 HG3 GLN 74 HG3 GLN 74 -42.202 36.913 11.083 1334 HE21 GLN 74 HE21 GLN 74 -40.524 34.700 10.680 1335 HE22 GLN 74 HE22 GLN 74 -41.435 33.270 10.761 1336 H GLY 75 H GLY 75 -41.677 40.255 13.247 1337 HA2 GLY 75 HA2 GLY 75 -43.317 40.996 14.705 1338 HA3 GLY 75 HA3 GLY 75 -43.467 39.351 15.314 1339 H GLN 76 H GLN 76 -41.739 38.599 16.787 1340 HA GLN 76 HA GLN 76 -40.188 40.645 18.173 1341 HB2 GLN 76 HB2 GLN 76 -42.539 40.705 19.117 1342 HB3 GLN 76 HB3 GLN 76 -42.287 39.054 19.668 1343 HG2 GLN 76 HG2 GLN 76 -40.354 41.258 20.407 1344 HG3 GLN 76 HG3 GLN 76 -41.820 40.978 21.336 1345 HE21 GLN 76 HE21 GLN 76 -38.859 40.494 22.005 1346 HE22 GLN 76 HE22 GLN 76 -38.816 38.877 22.520 1347 H SER 77 H SER 77 -40.909 37.385 17.379 1348 HA SER 77 HA SER 77 -38.971 36.239 19.246 1349 HB2 SER 77 HB2 SER 77 -40.640 34.998 17.046 1350 HB3 SER 77 HB3 SER 77 -39.581 34.105 18.137 1351 HG SER 77 HG SER 77 -40.847 34.702 19.846 1352 H MET 78 H MET 78 -36.924 35.739 18.756 1353 HA MET 78 HA MET 78 -35.876 36.488 16.116 1354 HB2 MET 78 HB2 MET 78 -34.511 35.729 18.710 1355 HB3 MET 78 HB3 MET 78 -33.669 36.179 17.225 1356 HG2 MET 78 HG2 MET 78 -34.606 38.388 17.264 1357 HG3 MET 78 HG3 MET 78 -35.733 37.955 18.549 1358 HE1 MET 78 HE1 MET 78 -34.792 40.270 19.130 1359 HE2 MET 78 HE2 MET 78 -33.178 40.435 18.438 1360 HE3 MET 78 HE3 MET 78 -33.399 40.521 20.185 1361 H ILE 79 H ILE 79 -36.431 34.804 14.755 1362 HA ILE 79 HA ILE 79 -35.926 32.045 15.502 1363 HB ILE 79 HB ILE 79 -36.901 33.379 12.971 1364 HG12 ILE 79 HG12 ILE 79 -38.989 32.206 13.536 1365 HG13 ILE 79 HG13 ILE 79 -38.220 31.497 14.952 1366 HG21 ILE 79 HG21 ILE 79 -35.702 31.452 12.201 1367 HG22 ILE 79 HG22 ILE 79 -37.401 30.982 12.253 1368 HG23 ILE 79 HG23 ILE 79 -36.304 30.465 13.533 1369 HD11 ILE 79 HD11 ILE 79 -39.688 33.649 15.229 1370 HD12 ILE 79 HD12 ILE 79 -38.265 34.492 14.624 1371 HD13 ILE 79 HD13 ILE 79 -38.163 33.531 16.102 1372 H TYR 80 H TYR 80 -34.415 30.682 14.497 1373 HA TYR 80 HA TYR 80 -32.177 31.987 13.047 1374 HB2 TYR 80 HB2 TYR 80 -31.918 29.878 15.205 1375 HB3 TYR 80 HB3 TYR 80 -30.602 30.648 14.320 1376 HD1 TYR 80 HD1 TYR 80 -30.055 33.029 14.687 1377 HD2 TYR 80 HD2 TYR 80 -33.093 31.036 16.977 1378 HE1 TYR 80 HE1 TYR 80 -30.021 34.877 16.342 1379 HE2 TYR 80 HE2 TYR 80 -33.057 32.881 18.632 1380 HH TYR 80 HH TYR 80 -30.888 35.685 18.213 1381 H SER 81 H SER 81 -31.194 30.745 11.478 1382 HA SER 81 HA SER 81 -31.897 27.964 11.094 1383 HB2 SER 81 HB2 SER 81 -32.738 29.931 8.959 1384 HB3 SER 81 HB3 SER 81 -33.053 28.197 9.014 1385 HG SER 81 HG SER 81 -34.008 29.051 11.235 1386 H LEU 82 H LEU 82 -31.201 27.597 8.511 1387 HA LEU 82 HA LEU 82 -28.362 27.867 8.582 1388 HB2 LEU 82 HB2 LEU 82 -30.310 26.920 6.479 1389 HB3 LEU 82 HB3 LEU 82 -28.582 26.995 6.165 1390 HG LEU 82 HG LEU 82 -29.392 24.748 6.925 1391 HD11 LEU 82 HD11 LEU 82 -27.489 24.272 8.142 1392 HD12 LEU 82 HD12 LEU 82 -27.566 25.749 9.092 1393 HD13 LEU 82 HD13 LEU 82 -27.019 25.805 7.418 1394 HD21 LEU 82 HD21 LEU 82 -30.203 24.389 9.117 1395 HD22 LEU 82 HD22 LEU 82 -31.085 25.798 8.535 1396 HD23 LEU 82 HD23 LEU 82 -29.731 26.001 9.648 1397 H ASP 83 H ASP 83 -27.196 28.725 6.564 1398 HA ASP 83 HA ASP 83 -27.891 31.534 6.305 1399 HB2 ASP 83 HB2 ASP 83 -25.568 30.953 6.679 1400 HB3 ASP 83 HB3 ASP 83 -25.564 29.907 5.261 1401 H ASP 84 H ASP 84 -26.447 29.743 3.687 1402 HA ASP 84 HA ASP 84 -28.855 29.991 2.006 1403 HB2 ASP 84 HB2 ASP 84 -27.471 32.127 1.891 1404 HB3 ASP 84 HB3 ASP 84 -26.214 31.158 1.125 1405 H ILE 85 H ILE 85 -27.628 27.656 2.982 1406 HA ILE 85 HA ILE 85 -27.065 25.581 2.234 1407 HB ILE 85 HB ILE 85 -27.220 26.688 -0.582 1408 HG12 ILE 85 HG12 ILE 85 -29.453 25.367 0.977 1409 HG13 ILE 85 HG13 ILE 85 -29.296 27.118 0.846 1410 HG21 ILE 85 HG21 ILE 85 -26.258 24.541 -0.673 1411 HG22 ILE 85 HG22 ILE 85 -27.965 24.245 -0.966 1412 HG23 ILE 85 HG23 ILE 85 -27.278 23.922 0.623 1413 HD11 ILE 85 HD11 ILE 85 -30.815 26.308 -0.884 1414 HD12 ILE 85 HD12 ILE 85 -29.592 25.176 -1.461 1415 HD13 ILE 85 HD13 ILE 85 -29.337 26.913 -1.631 1416 H HIS 86 H HIS 86 -25.311 24.420 1.019 1417 HA HIS 86 HA HIS 86 -23.135 24.185 0.279 1418 HB2 HIS 86 HB2 HIS 86 -22.499 27.069 0.866 1419 HB3 HIS 86 HB3 HIS 86 -21.724 25.966 -0.261 1420 HD1 HIS 86 HD1 HIS 86 -23.394 28.837 -0.705 1421 HD2 HIS 86 HD2 HIS 86 -24.358 24.985 -1.976 1422 HE1 HIS 86 HE1 HIS 86 -24.936 29.106 -2.694 1423 HE2 HIS 86 HE2 HIS 86 -25.554 26.768 -3.467 1424 H VAL 87 H VAL 87 -23.779 26.261 3.084 1425 HA VAL 87 HA VAL 87 -21.428 25.442 4.507 1426 HB VAL 87 HB VAL 87 -24.001 26.700 5.499 1427 HG11 VAL 87 HG11 VAL 87 -22.840 25.690 7.352 1428 HG12 VAL 87 HG12 VAL 87 -22.490 27.419 7.398 1429 HG13 VAL 87 HG13 VAL 87 -21.285 26.292 6.775 1430 HG21 VAL 87 HG21 VAL 87 -22.703 28.001 3.778 1431 HG22 VAL 87 HG22 VAL 87 -21.319 27.968 4.871 1432 HG23 VAL 87 HG23 VAL 87 -22.800 28.800 5.347 1433 H ALA 88 H ALA 88 -24.885 24.608 4.743 1434 HA ALA 88 HA ALA 88 -24.762 22.812 6.849 1435 HB1 ALA 88 HB1 ALA 88 -26.870 23.580 5.858 1436 HB2 ALA 88 HB2 ALA 88 -26.813 21.817 5.907 1437 HB3 ALA 88 HB3 ALA 88 -26.523 22.667 4.389 1438 H THR 89 H THR 89 -24.634 21.982 3.371 1439 HA THR 89 HA THR 89 -24.250 19.275 3.570 1440 HB THR 89 HB THR 89 -24.517 20.206 1.402 1441 HG1 THR 89 HG1 THR 89 -23.206 18.792 0.625 1442 HG21 THR 89 HG21 THR 89 -22.893 21.766 0.415 1443 HG22 THR 89 HG22 THR 89 -21.933 21.715 1.893 1444 HG23 THR 89 HG23 THR 89 -23.548 22.429 1.913 1445 H MET 90 H MET 90 -21.797 21.815 3.891 1446 HA MET 90 HA MET 90 -19.480 20.317 3.933 1447 HB2 MET 90 HB2 MET 90 -19.719 22.843 4.193 1448 HB3 MET 90 HB3 MET 90 -20.019 22.540 5.905 1449 HG2 MET 90 HG2 MET 90 -17.844 21.205 5.915 1450 HG3 MET 90 HG3 MET 90 -17.527 21.887 4.320 1451 HE1 MET 90 HE1 MET 90 -16.708 24.036 3.796 1452 HE2 MET 90 HE2 MET 90 -16.861 25.509 4.752 1453 HE3 MET 90 HE3 MET 90 -18.304 24.716 4.120 1454 H LEU 91 H LEU 91 -21.760 20.887 6.592 1455 HA LEU 91 HA LEU 91 -20.334 19.444 8.559 1456 HB2 LEU 91 HB2 LEU 91 -22.293 21.067 8.840 1457 HB3 LEU 91 HB3 LEU 91 -23.344 19.733 8.401 1458 HG LEU 91 HG LEU 91 -21.339 19.336 10.625 1459 HD11 LEU 91 HD11 LEU 91 -22.452 21.443 11.199 1460 HD12 LEU 91 HD12 LEU 91 -23.003 20.144 12.256 1461 HD13 LEU 91 HD13 LEU 91 -24.027 20.696 10.931 1462 HD21 LEU 91 HD21 LEU 91 -24.110 18.258 10.027 1463 HD22 LEU 91 HD22 LEU 91 -23.229 17.931 11.514 1464 HD23 LEU 91 HD23 LEU 91 -22.587 17.370 9.975 1465 H LYS 92 H LYS 92 -22.800 18.512 6.201 1466 HA LYS 92 HA LYS 92 -23.104 15.825 7.072 1467 HB2 LYS 92 HB2 LYS 92 -24.660 17.129 5.541 1468 HB3 LYS 92 HB3 LYS 92 -23.492 16.839 4.252 1469 HG2 LYS 92 HG2 LYS 92 -23.701 14.410 4.590 1470 HG3 LYS 92 HG3 LYS 92 -24.845 14.685 5.905 1471 HD2 LYS 92 HD2 LYS 92 -26.321 15.903 4.269 1472 HD3 LYS 92 HD3 LYS 92 -25.219 15.405 2.984 1473 HE2 LYS 92 HE2 LYS 92 -26.616 13.480 4.864 1474 HE3 LYS 92 HE3 LYS 92 -27.198 13.881 3.249 1475 HZ1 LYS 92 HZ1 LYS 92 -24.411 13.058 3.491 1476 HZ2 LYS 92 HZ2 LYS 92 -25.537 12.739 2.259 1477 HZ3 LYS 92 HZ3 LYS 92 -25.587 11.852 3.706 1478 H GLN 93 H GLN 93 -21.455 17.053 4.148 1479 HA GLN 93 HA GLN 93 -20.251 14.762 3.289 1480 HB2 GLN 93 HB2 GLN 93 -19.016 17.526 3.321 1481 HB3 GLN 93 HB3 GLN 93 -18.494 16.184 2.301 1482 HG2 GLN 93 HG2 GLN 93 -21.303 17.322 2.292 1483 HG3 GLN 93 HG3 GLN 93 -20.050 17.791 1.146 1484 HE21 GLN 93 HE21 GLN 93 -19.164 16.003 -0.265 1485 HE22 GLN 93 HE22 GLN 93 -20.167 14.686 -0.636 1486 H ALA 94 H ALA 94 -19.576 16.439 6.207 1487 HA ALA 94 HA ALA 94 -16.891 15.467 6.556 1488 HB1 ALA 94 HB1 ALA 94 -17.879 17.534 7.655 1489 HB2 ALA 94 HB2 ALA 94 -17.001 16.446 8.730 1490 HB3 ALA 94 HB3 ALA 94 -18.765 16.440 8.718 1491 H ILE 95 H ILE 95 -20.099 14.536 7.761 1492 HA ILE 95 HA ILE 95 -19.124 12.367 9.355 1493 HB ILE 95 HB ILE 95 -21.924 12.659 8.270 1494 HG12 ILE 95 HG12 ILE 95 -21.368 14.821 9.180 1495 HG13 ILE 95 HG13 ILE 95 -22.352 13.980 10.375 1496 HG21 ILE 95 HG21 ILE 95 -22.483 11.589 10.445 1497 HG22 ILE 95 HG22 ILE 95 -20.762 11.481 10.810 1498 HG23 ILE 95 HG23 ILE 95 -21.433 10.575 9.454 1499 HD11 ILE 95 HD11 ILE 95 -20.561 14.900 11.624 1500 HD12 ILE 95 HD12 ILE 95 -19.370 14.453 10.404 1501 HD13 ILE 95 HD13 ILE 95 -20.114 13.209 11.408 1502 H HIS 96 H HIS 96 -19.677 12.781 6.010 1503 HA HIS 96 HA HIS 96 -20.304 10.051 5.374 1504 HB2 HIS 96 HB2 HIS 96 -20.861 12.001 3.902 1505 HB3 HIS 96 HB3 HIS 96 -19.141 12.181 3.563 1506 HD1 HIS 96 HD1 HIS 96 -22.106 10.077 2.765 1507 HD2 HIS 96 HD2 HIS 96 -18.001 9.995 2.041 1508 HE1 HIS 96 HE1 HIS 96 -21.731 8.336 0.968 1509 HE2 HIS 96 HE2 HIS 96 -19.235 8.275 0.510 1510 H HIS 97 H HIS 97 -17.350 12.031 5.235 1511 HA HIS 97 HA HIS 97 -15.708 9.841 4.350 1512 HB2 HIS 97 HB2 HIS 97 -15.198 12.240 3.864 1513 HB3 HIS 97 HB3 HIS 97 -14.856 12.473 5.579 1514 HD1 HIS 97 HD1 HIS 97 -13.286 11.445 2.464 1515 HD2 HIS 97 HD2 HIS 97 -12.658 10.659 6.509 1516 HE1 HIS 97 HE1 HIS 97 -10.941 10.515 2.654 1517 HE2 HIS 97 HE2 HIS 97 -10.542 10.022 5.114 1518 H ALA 98 H ALA 98 -16.718 11.141 7.417 1519 HA ALA 98 HA ALA 98 -14.788 10.440 9.186 1520 HB1 ALA 98 HB1 ALA 98 -16.837 11.434 9.957 1521 HB2 ALA 98 HB2 ALA 98 -16.645 9.893 10.792 1522 HB3 ALA 98 HB3 ALA 98 -17.773 10.030 9.442 1523 H ASN 99 H ASN 99 -16.679 8.245 7.259 1524 HA ASN 99 HA ASN 99 -15.007 6.034 8.043 1525 HB2 ASN 99 HB2 ASN 99 -16.851 4.614 8.882 1526 HB3 ASN 99 HB3 ASN 99 -16.568 6.008 9.922 1527 HD21 ASN 99 HD21 ASN 99 -18.936 4.388 7.986 1528 HD22 ASN 99 HD22 ASN 99 -20.157 5.559 8.124 1529 H HIS 100 H HIS 100 -14.566 5.344 6.042 1530 HA HIS 100 HA HIS 100 -16.576 5.312 3.947 1531 HB2 HIS 100 HB2 HIS 100 -13.665 4.514 4.104 1532 HB3 HIS 100 HB3 HIS 100 -14.638 4.191 2.671 1533 HD1 HIS 100 HD1 HIS 100 -13.920 5.930 1.016 1534 HD2 HIS 100 HD2 HIS 100 -14.568 7.563 4.797 1535 HE1 HIS 100 HE1 HIS 100 -13.674 8.436 0.763 1536 HE2 HIS 100 HE2 HIS 100 -14.060 9.449 3.059 1537 HA PRO 101 HA PRO 101 -17.797 1.127 4.778 1538 HB2 PRO 101 HB2 PRO 101 -18.712 0.295 2.348 1539 HB3 PRO 101 HB3 PRO 101 -19.549 1.542 3.292 1540 HG2 PRO 101 HG2 PRO 101 -17.633 1.873 1.011 1541 HG3 PRO 101 HG3 PRO 101 -19.193 2.668 1.281 1542 HD2 PRO 101 HD2 PRO 101 -16.814 3.872 1.892 1543 HD3 PRO 101 HD3 PRO 101 -18.297 4.185 2.817 1544 H LYS 102 H LYS 102 -17.634 -1.163 3.384 1545 HA LYS 102 HA LYS 102 -14.857 -1.824 3.523 1546 HB2 LYS 102 HB2 LYS 102 -17.283 -3.370 2.588 1547 HB3 LYS 102 HB3 LYS 102 -15.662 -4.061 2.658 1548 HG2 LYS 102 HG2 LYS 102 -15.534 -3.653 5.050 1549 HG3 LYS 102 HG3 LYS 102 -17.070 -2.787 5.023 1550 HD2 LYS 102 HD2 LYS 102 -18.281 -4.790 4.467 1551 HD3 LYS 102 HD3 LYS 102 -16.787 -5.679 4.169 1552 HE2 LYS 102 HE2 LYS 102 -17.781 -6.214 6.392 1553 HE3 LYS 102 HE3 LYS 102 -16.173 -5.502 6.530 1554 HZ1 LYS 102 HZ1 LYS 102 -18.356 -3.604 6.496 1555 HZ2 LYS 102 HZ2 LYS 102 -16.977 -3.662 7.488 1556 HZ3 LYS 102 HZ3 LYS 102 -18.328 -4.627 7.851 1557 H GLU 103 H GLU 103 -13.925 -3.213 1.647 1558 HA GLU 103 HA GLU 103 -14.572 -2.170 -1.018 1559 HB2 GLU 103 HB2 GLU 103 -11.782 -1.959 0.138 1560 HB3 GLU 103 HB3 GLU 103 -12.315 -1.427 -1.456 1561 HG2 GLU 103 HG2 GLU 103 -13.947 0.118 -0.280 1562 HG3 GLU 103 HG3 GLU 103 -13.132 -0.292 1.229 Start of MODEL 17 1 H ASN 9 H ASN 9 -23.661 4.756 19.434 2 HA ASN 9 HA ASN 9 -22.367 4.539 16.783 3 HB2 ASN 9 HB2 ASN 9 -24.887 4.312 17.114 4 HB3 ASN 9 HB3 ASN 9 -24.877 5.995 17.637 5 HD21 ASN 9 HD21 ASN 9 -26.247 6.400 15.648 6 HD22 ASN 9 HD22 ASN 9 -25.476 6.557 14.143 7 H THR 10 H THR 10 -23.274 6.720 19.431 8 HA THR 10 HA THR 10 -22.481 9.148 18.370 9 HB THR 10 HB THR 10 -22.200 9.901 20.683 10 HG1 THR 10 HG1 THR 10 -22.547 8.122 22.275 11 HG21 THR 10 HG21 THR 10 -24.488 9.527 19.790 12 HG22 THR 10 HG22 THR 10 -24.407 9.239 21.529 13 HG23 THR 10 HG23 THR 10 -24.442 7.876 20.410 14 H ASP 11 H ASP 11 -20.522 6.478 18.779 15 HA ASP 11 HA ASP 11 -18.092 7.560 19.701 16 HB2 ASP 11 HB2 ASP 11 -18.392 5.415 17.589 17 HB3 ASP 11 HB3 ASP 11 -17.034 5.655 18.687 18 H THR 12 H THR 12 -19.708 7.712 16.605 19 HA THR 12 HA THR 12 -17.474 8.667 15.101 20 HB THR 12 HB THR 12 -19.501 7.616 14.088 21 HG1 THR 12 HG1 THR 12 -19.745 9.514 12.539 22 HG21 THR 12 HG21 THR 12 -21.563 8.808 13.956 23 HG22 THR 12 HG22 THR 12 -20.833 10.285 14.586 24 HG23 THR 12 HG23 THR 12 -21.075 8.898 15.648 25 H LEU 13 H LEU 13 -20.117 10.200 16.877 26 HA LEU 13 HA LEU 13 -19.772 12.839 16.057 27 HB2 LEU 13 HB2 LEU 13 -21.629 11.905 17.501 28 HB3 LEU 13 HB3 LEU 13 -20.498 11.929 18.846 29 HG LEU 13 HG LEU 13 -20.156 14.425 18.315 30 HD11 LEU 13 HD11 LEU 13 -22.295 15.426 17.280 31 HD12 LEU 13 HD12 LEU 13 -22.588 13.820 16.620 32 HD13 LEU 13 HD13 LEU 13 -21.133 14.710 16.173 33 HD21 LEU 13 HD21 LEU 13 -22.140 15.050 19.620 34 HD22 LEU 13 HD22 LEU 13 -21.414 13.576 20.262 35 HD23 LEU 13 HD23 LEU 13 -22.872 13.483 19.274 36 H GLU 14 H GLU 14 -17.897 10.880 18.222 37 HA GLU 14 HA GLU 14 -16.559 12.977 19.596 38 HB2 GLU 14 HB2 GLU 14 -16.731 10.509 20.260 39 HB3 GLU 14 HB3 GLU 14 -15.436 10.217 19.100 40 HG2 GLU 14 HG2 GLU 14 -15.224 12.235 21.354 41 HG3 GLU 14 HG3 GLU 14 -14.671 10.570 21.486 42 H ARG 15 H ARG 15 -15.288 10.776 17.079 43 HA ARG 15 HA ARG 15 -12.843 11.983 16.755 44 HB2 ARG 15 HB2 ARG 15 -12.940 11.014 14.383 45 HB3 ARG 15 HB3 ARG 15 -13.159 9.892 15.724 46 HG2 ARG 15 HG2 ARG 15 -15.590 10.012 15.466 47 HG3 ARG 15 HG3 ARG 15 -15.414 11.184 14.159 48 HD2 ARG 15 HD2 ARG 15 -14.539 8.286 14.176 49 HD3 ARG 15 HD3 ARG 15 -15.731 9.041 13.122 50 HE ARG 15 HE ARG 15 -13.421 10.428 12.616 51 HH11 ARG 15 HH21 ARG 15 -14.371 7.099 12.642 52 HH12 ARG 15 HH22 ARG 15 -13.250 6.628 11.408 53 HH21 ARG 15 HH11 ARG 15 -11.950 9.817 11.001 54 HH22 ARG 15 HH12 ARG 15 -11.875 8.166 10.483 55 H VAL 16 H VAL 16 -15.899 13.223 15.675 56 HA VAL 16 HA VAL 16 -15.258 14.698 13.451 57 HB VAL 16 HB VAL 16 -16.933 15.739 15.744 58 HG11 VAL 16 HG11 VAL 16 -18.149 16.840 13.823 59 HG12 VAL 16 HG12 VAL 16 -16.840 16.306 12.768 60 HG13 VAL 16 HG13 VAL 16 -16.510 17.440 14.078 61 HG21 VAL 16 HG21 VAL 16 -18.808 14.672 14.419 62 HG22 VAL 16 HG22 VAL 16 -17.711 13.530 15.193 63 HG23 VAL 16 HG23 VAL 16 -17.574 13.848 13.464 64 H THR 17 H THR 17 -14.820 15.733 16.838 65 HA THR 17 HA THR 17 -13.722 18.248 16.276 66 HB THR 17 HB THR 17 -14.528 17.413 18.518 67 HG1 THR 17 HG1 THR 17 -11.901 18.449 18.580 68 HG21 THR 17 HG21 THR 17 -11.741 16.341 18.896 69 HG22 THR 17 HG22 THR 17 -13.019 15.290 18.288 70 HG23 THR 17 HG23 THR 17 -13.181 16.049 19.870 71 H GLU 18 H GLU 18 -12.164 15.083 16.627 72 HA GLU 18 HA GLU 18 -9.499 15.894 16.647 73 HB2 GLU 18 HB2 GLU 18 -10.650 13.425 15.324 74 HB3 GLU 18 HB3 GLU 18 -8.971 13.655 15.812 75 HG2 GLU 18 HG2 GLU 18 -11.323 13.779 17.719 76 HG3 GLU 18 HG3 GLU 18 -10.332 12.344 17.470 77 H ILE 19 H ILE 19 -11.808 16.011 14.095 78 HA ILE 19 HA ILE 19 -10.002 15.947 11.892 79 HB ILE 19 HB ILE 19 -12.713 17.283 12.020 80 HG12 ILE 19 HG12 ILE 19 -12.018 14.424 11.282 81 HG13 ILE 19 HG13 ILE 19 -12.745 14.908 12.814 82 HG21 ILE 19 HG21 ILE 19 -11.111 16.095 9.732 83 HG22 ILE 19 HG22 ILE 19 -11.348 17.817 10.029 84 HG23 ILE 19 HG23 ILE 19 -12.722 16.802 9.598 85 HD11 ILE 19 HD11 ILE 19 -14.504 14.177 11.289 86 HD12 ILE 19 HD12 ILE 19 -13.936 15.299 10.052 87 HD13 ILE 19 HD13 ILE 19 -14.646 15.916 11.544 88 H PHE 20 H PHE 20 -11.916 18.745 12.992 89 HA PHE 20 HA PHE 20 -10.622 20.727 11.659 90 HB2 PHE 20 HB2 PHE 20 -11.400 21.155 14.537 91 HB3 PHE 20 HB3 PHE 20 -11.550 22.261 13.174 92 HD1 PHE 20 HD1 PHE 20 -12.877 20.968 11.080 93 HD2 PHE 20 HD2 PHE 20 -13.475 20.368 15.294 94 HE1 PHE 20 HE1 PHE 20 -15.166 20.131 10.638 95 HE2 PHE 20 HE2 PHE 20 -15.768 19.541 14.849 96 HZ PHE 20 HZ PHE 20 -16.614 19.420 12.521 97 H LYS 21 H LYS 21 -9.824 19.971 15.055 98 HA LYS 21 HA LYS 21 -7.642 21.536 15.424 99 HB2 LYS 21 HB2 LYS 21 -8.640 19.977 17.109 100 HB3 LYS 21 HB3 LYS 21 -7.778 18.652 16.328 101 HG2 LYS 21 HG2 LYS 21 -5.634 19.744 16.775 102 HG3 LYS 21 HG3 LYS 21 -6.463 21.134 17.476 103 HD2 LYS 21 HD2 LYS 21 -7.461 19.611 19.193 104 HD3 LYS 21 HD3 LYS 21 -6.494 18.291 18.534 105 HE2 LYS 21 HE2 LYS 21 -5.415 20.877 19.699 106 HE3 LYS 21 HE3 LYS 21 -5.360 19.293 20.472 107 HZ1 LYS 21 HZ1 LYS 21 -3.407 19.069 19.461 108 HZ2 LYS 21 HZ2 LYS 21 -3.681 20.383 18.419 109 HZ3 LYS 21 HZ3 LYS 21 -4.281 18.844 18.023 110 H ALA 22 H ALA 22 -7.682 18.433 13.720 111 HA ALA 22 HA ALA 22 -4.899 18.152 13.416 112 HB1 ALA 22 HB1 ALA 22 -5.398 16.472 11.791 113 HB2 ALA 22 HB2 ALA 22 -6.983 17.172 11.460 114 HB3 ALA 22 HB3 ALA 22 -6.671 16.387 13.008 115 H LEU 23 H LEU 23 -7.233 20.068 11.667 116 HA LEU 23 HA LEU 23 -5.263 20.744 9.567 117 HB2 LEU 23 HB2 LEU 23 -8.255 21.006 9.812 118 HB3 LEU 23 HB3 LEU 23 -7.367 21.971 8.635 119 HG LEU 23 HG LEU 23 -6.441 19.932 7.633 120 HD11 LEU 23 HD11 LEU 23 -7.959 18.615 9.885 121 HD12 LEU 23 HD12 LEU 23 -6.282 18.374 9.394 122 HD13 LEU 23 HD13 LEU 23 -7.586 17.733 8.403 123 HD21 LEU 23 HD21 LEU 23 -9.453 19.892 7.988 124 HD22 LEU 23 HD22 LEU 23 -8.577 19.039 6.718 125 HD23 LEU 23 HD23 LEU 23 -8.560 20.801 6.769 126 H GLY 24 H GLY 24 -5.332 21.696 12.475 127 HA2 GLY 24 HA2 GLY 24 -6.161 24.346 12.663 128 HA3 GLY 24 HA3 GLY 24 -4.834 23.646 13.582 129 H ASP 25 H ASP 25 -2.712 23.512 12.441 130 HA ASP 25 HA ASP 25 -1.730 25.944 11.709 131 HB2 ASP 25 HB2 ASP 25 -0.305 24.008 12.196 132 HB3 ASP 25 HB3 ASP 25 -0.783 23.262 10.673 133 H TYR 26 H TYR 26 -1.554 27.175 9.907 134 HA TYR 26 HA TYR 26 -3.413 26.796 7.799 135 HB2 TYR 26 HB2 TYR 26 -2.372 28.793 6.816 136 HB3 TYR 26 HB3 TYR 26 -2.671 29.022 8.539 137 HD1 TYR 26 HD2 TYR 26 -0.801 28.866 10.173 138 HD2 TYR 26 HD1 TYR 26 -0.133 28.682 5.933 139 HE1 TYR 26 HE2 TYR 26 1.610 29.324 10.532 140 HE2 TYR 26 HE1 TYR 26 2.278 29.140 6.293 141 HH TYR 26 HH TYR 26 3.617 30.419 8.359 142 H ASN 27 H ASN 27 0.092 26.332 8.042 143 HA ASN 27 HA ASN 27 0.822 25.947 5.437 144 HB2 ASN 27 HB2 ASN 27 2.312 25.767 7.458 145 HB3 ASN 27 HB3 ASN 27 1.696 24.132 7.694 146 HD21 ASN 27 HD21 ASN 27 3.806 23.170 7.227 147 HD22 ASN 27 HD22 ASN 27 4.429 23.148 5.648 148 H ARG 28 H ARG 28 -0.980 23.726 7.492 149 HA ARG 28 HA ARG 28 -0.838 21.465 5.792 150 HB2 ARG 28 HB2 ARG 28 -2.973 22.216 7.804 151 HB3 ARG 28 HB3 ARG 28 -2.715 20.610 7.121 152 HG2 ARG 28 HG2 ARG 28 -0.579 20.403 8.177 153 HG3 ARG 28 HG3 ARG 28 -0.548 22.114 8.603 154 HD2 ARG 28 HD2 ARG 28 -2.543 21.738 10.061 155 HD3 ARG 28 HD3 ARG 28 -2.436 20.016 9.707 156 HE ARG 28 HE ARG 28 0.046 20.563 10.629 157 HH11 ARG 28 HH21 ARG 28 -3.137 21.295 11.767 158 HH12 ARG 28 HH22 ARG 28 -2.686 21.307 13.440 159 HH21 ARG 28 HH11 ARG 28 0.650 20.590 12.817 160 HH22 ARG 28 HH12 ARG 28 -0.540 20.910 14.034 161 H ILE 29 H ILE 29 -3.006 24.230 5.926 162 HA ILE 29 HA ILE 29 -4.999 23.157 4.201 163 HB ILE 29 HB ILE 29 -4.338 26.071 4.663 164 HG12 ILE 29 HG12 ILE 29 -4.583 25.018 6.825 165 HG13 ILE 29 HG13 ILE 29 -6.057 25.917 6.480 166 HG21 ILE 29 HG21 ILE 29 -6.879 24.627 3.861 167 HG22 ILE 29 HG22 ILE 29 -5.902 25.676 2.832 168 HG23 ILE 29 HG23 ILE 29 -6.767 26.352 4.213 169 HD11 ILE 29 HD11 ILE 29 -6.932 23.644 5.528 170 HD12 ILE 29 HD12 ILE 29 -6.869 23.864 7.274 171 HD13 ILE 29 HD13 ILE 29 -5.609 22.941 6.457 172 H ARG 30 H ARG 30 -1.941 24.788 3.611 173 HA ARG 30 HA ARG 30 -2.551 25.410 0.866 174 HB2 ARG 30 HB2 ARG 30 -0.951 26.716 2.283 175 HB3 ARG 30 HB3 ARG 30 0.138 25.329 2.252 176 HG2 ARG 30 HG2 ARG 30 0.304 25.454 -0.173 177 HG3 ARG 30 HG3 ARG 30 -0.903 26.740 -0.223 178 HD2 ARG 30 HD2 ARG 30 1.449 27.587 -0.389 179 HD3 ARG 30 HD3 ARG 30 0.569 28.241 0.989 180 HE ARG 30 HE ARG 30 1.959 25.905 1.784 181 HH11 ARG 30 HH21 ARG 30 2.446 29.192 0.818 182 HH12 ARG 30 HH22 ARG 30 3.913 29.385 1.719 183 HH21 ARG 30 HH11 ARG 30 3.879 26.153 2.975 184 HH22 ARG 30 HH12 ARG 30 4.725 27.663 2.936 185 H ILE 31 H ILE 31 -0.788 22.871 2.594 186 HA ILE 31 HA ILE 31 0.437 21.629 0.402 187 HB ILE 31 HB ILE 31 -0.599 20.491 3.006 188 HG12 ILE 31 HG12 ILE 31 2.223 21.047 2.055 189 HG13 ILE 31 HG13 ILE 31 1.274 22.200 2.992 190 HG21 ILE 31 HG21 ILE 31 0.992 19.205 0.774 191 HG22 ILE 31 HG22 ILE 31 -0.500 18.624 1.511 192 HG23 ILE 31 HG23 ILE 31 1.007 18.586 2.426 193 HD11 ILE 31 HD11 ILE 31 1.211 20.779 4.887 194 HD12 ILE 31 HD12 ILE 31 2.868 20.653 4.299 195 HD13 ILE 31 HD13 ILE 31 1.712 19.369 3.954 196 H MET 32 H MET 32 -2.872 21.665 1.457 197 HA MET 32 HA MET 32 -3.685 19.413 -0.181 198 HB2 MET 32 HB2 MET 32 -4.799 20.157 1.994 199 HB3 MET 32 HB3 MET 32 -5.477 21.496 1.068 200 HG2 MET 32 HG2 MET 32 -6.313 19.695 -0.583 201 HG3 MET 32 HG3 MET 32 -5.952 18.538 0.699 202 HE1 MET 32 HE1 MET 32 -8.150 19.426 3.598 203 HE2 MET 32 HE2 MET 32 -6.675 20.369 3.392 204 HE3 MET 32 HE3 MET 32 -6.689 18.656 2.977 205 H GLU 33 H GLU 33 -3.622 22.920 -0.404 206 HA GLU 33 HA GLU 33 -5.353 23.219 -2.613 207 HB2 GLU 33 HB2 GLU 33 -4.545 25.060 -1.104 208 HB3 GLU 33 HB3 GLU 33 -2.986 24.970 -1.921 209 HG2 GLU 33 HG2 GLU 33 -4.017 25.514 -4.055 210 HG3 GLU 33 HG3 GLU 33 -5.623 25.460 -3.332 211 H LEU 34 H LEU 34 -1.814 22.862 -2.447 212 HA LEU 34 HA LEU 34 -1.425 23.082 -5.251 213 HB2 LEU 34 HB2 LEU 34 0.243 23.277 -3.200 214 HB3 LEU 34 HB3 LEU 34 0.486 21.566 -3.492 215 HG LEU 34 HG LEU 34 2.166 22.719 -4.729 216 HD11 LEU 34 HD11 LEU 34 1.798 21.889 -6.918 217 HD12 LEU 34 HD12 LEU 34 0.052 22.090 -6.786 218 HD13 LEU 34 HD13 LEU 34 0.870 20.833 -5.854 219 HD21 LEU 34 HD21 LEU 34 0.201 24.303 -6.363 220 HD22 LEU 34 HD22 LEU 34 1.897 24.614 -6.022 221 HD23 LEU 34 HD23 LEU 34 0.687 24.913 -4.783 222 H LEU 35 H LEU 35 -1.398 20.243 -3.086 223 HA LEU 35 HA LEU 35 -1.098 18.341 -5.135 224 HB2 LEU 35 HB2 LEU 35 -0.832 18.089 -2.571 225 HB3 LEU 35 HB3 LEU 35 -2.564 17.797 -2.561 226 HG LEU 35 HG LEU 35 -2.028 16.037 -4.437 227 HD11 LEU 35 HD11 LEU 35 0.299 16.521 -4.853 228 HD12 LEU 35 HD12 LEU 35 0.232 14.975 -4.016 229 HD13 LEU 35 HD13 LEU 35 0.685 16.428 -3.134 230 HD21 LEU 35 HD21 LEU 35 -1.387 15.706 -1.501 231 HD22 LEU 35 HD22 LEU 35 -1.429 14.343 -2.618 232 HD23 LEU 35 HD23 LEU 35 -2.885 15.297 -2.338 233 H SER 36 H SER 36 -3.887 19.982 -3.864 234 HA SER 36 HA SER 36 -5.948 18.312 -4.668 235 HB2 SER 36 HB2 SER 36 -6.675 20.130 -3.404 236 HB3 SER 36 HB3 SER 36 -5.721 21.283 -4.336 237 HG SER 36 HG SER 36 -8.246 20.670 -4.658 238 H VAL 37 H VAL 37 -5.044 21.231 -6.526 239 HA VAL 37 HA VAL 37 -6.497 20.618 -8.787 240 HB VAL 37 HB VAL 37 -5.374 22.801 -8.312 241 HG11 VAL 37 HG11 VAL 37 -3.054 23.110 -8.851 242 HG12 VAL 37 HG12 VAL 37 -2.924 21.476 -9.500 243 HG13 VAL 37 HG13 VAL 37 -3.145 21.723 -7.768 244 HG21 VAL 37 HG21 VAL 37 -4.984 23.330 -10.650 245 HG22 VAL 37 HG22 VAL 37 -6.319 22.182 -10.553 246 HG23 VAL 37 HG23 VAL 37 -4.713 21.629 -11.029 247 H SER 38 H SER 38 -3.382 19.364 -7.820 248 HA SER 38 HA SER 38 -3.530 17.323 -9.867 249 HB2 SER 38 HB2 SER 38 -2.509 18.925 -11.281 250 HB3 SER 38 HB3 SER 38 -1.459 19.513 -9.992 251 HG SER 38 HG SER 38 -0.148 17.877 -10.288 252 H GLU 39 H GLU 39 -2.248 15.540 -9.391 253 HA GLU 39 HA GLU 39 -1.378 15.319 -6.667 254 HB2 GLU 39 HB2 GLU 39 -0.759 13.319 -8.836 255 HB3 GLU 39 HB3 GLU 39 -1.062 13.033 -7.123 256 HG2 GLU 39 HG2 GLU 39 -3.079 13.935 -9.198 257 HG3 GLU 39 HG3 GLU 39 -3.030 12.370 -8.389 258 H ALA 40 H ALA 40 0.767 14.758 -5.964 259 HA ALA 40 HA ALA 40 2.997 15.133 -7.783 260 HB1 ALA 40 HB1 ALA 40 2.464 17.459 -7.292 261 HB2 ALA 40 HB2 ALA 40 3.967 17.013 -6.484 262 HB3 ALA 40 HB3 ALA 40 2.468 17.122 -5.561 263 H SER 41 H SER 41 5.010 14.540 -6.867 264 HA SER 41 HA SER 41 4.782 12.700 -4.605 265 HB2 SER 41 HB2 SER 41 6.036 12.129 -6.725 266 HB3 SER 41 HB3 SER 41 7.222 13.352 -6.269 267 HG SER 41 HG SER 41 7.397 10.965 -5.564 268 H VAL 42 H VAL 42 6.483 12.771 -2.905 269 HA VAL 42 HA VAL 42 6.465 15.092 -1.430 270 HB VAL 42 HB VAL 42 7.199 12.859 -0.608 271 HG11 VAL 42 HG11 VAL 42 9.907 13.529 -1.769 272 HG12 VAL 42 HG12 VAL 42 8.749 12.529 -2.645 273 HG13 VAL 42 HG13 VAL 42 9.358 12.005 -1.076 274 HG21 VAL 42 HG21 VAL 42 7.647 14.978 0.642 275 HG22 VAL 42 HG22 VAL 42 9.225 15.067 -0.141 276 HG23 VAL 42 HG23 VAL 42 8.856 13.732 0.952 277 H GLY 43 H GLY 43 8.981 14.028 -3.714 278 HA2 GLY 43 HA2 GLY 43 10.734 16.171 -3.296 279 HA3 GLY 43 HA3 GLY 43 10.699 15.153 -4.729 280 H HIS 44 H HIS 44 8.065 15.823 -5.636 281 HA HIS 44 HA HIS 44 8.738 18.193 -7.068 282 HB2 HIS 44 HB2 HIS 44 6.248 16.482 -6.969 283 HB3 HIS 44 HB3 HIS 44 6.407 17.885 -8.025 284 HD1 HIS 44 HD1 HIS 44 6.173 15.857 -9.898 285 HD2 HIS 44 HD2 HIS 44 9.772 16.117 -7.810 286 HE1 HIS 44 HE1 HIS 44 7.878 14.564 -11.249 287 HE2 HIS 44 HE2 HIS 44 10.078 14.710 -9.990 288 H ILE 45 H ILE 45 6.532 17.508 -4.398 289 HA ILE 45 HA ILE 45 5.284 20.112 -4.524 290 HB ILE 45 HB ILE 45 4.073 18.169 -3.618 291 HG12 ILE 45 HG12 ILE 45 4.540 20.168 -1.397 292 HG13 ILE 45 HG13 ILE 45 3.677 20.599 -2.872 293 HG21 ILE 45 HG21 ILE 45 6.059 17.106 -2.550 294 HG22 ILE 45 HG22 ILE 45 4.683 17.232 -1.455 295 HG23 ILE 45 HG23 ILE 45 6.032 18.359 -1.310 296 HD11 ILE 45 HD11 ILE 45 2.056 19.921 -1.192 297 HD12 ILE 45 HD12 ILE 45 2.926 18.413 -0.909 298 HD13 ILE 45 HD13 ILE 45 2.111 18.687 -2.450 299 H SER 46 H SER 46 8.218 18.925 -3.327 300 HA SER 46 HA SER 46 8.644 20.402 -1.007 301 HB2 SER 46 HB2 SER 46 10.710 19.796 -3.133 302 HB3 SER 46 HB3 SER 46 11.006 20.098 -1.421 303 HG SER 46 HG SER 46 10.830 18.006 -1.301 304 H HIS 47 H HIS 47 9.222 21.356 -4.399 305 HA HIS 47 HA HIS 47 10.400 23.838 -3.859 306 HB2 HIS 47 HB2 HIS 47 9.926 24.421 -6.134 307 HB3 HIS 47 HB3 HIS 47 10.301 22.700 -6.099 308 HD1 HIS 47 HD1 HIS 47 8.696 21.314 -7.380 309 HD2 HIS 47 HD2 HIS 47 6.890 24.792 -5.957 310 HE1 HIS 47 HE1 HIS 47 6.333 21.316 -8.286 311 HE2 HIS 47 HE2 HIS 47 5.213 23.420 -7.415 312 H GLN 48 H GLN 48 7.267 22.814 -3.200 313 HA GLN 48 HA GLN 48 5.908 25.319 -3.580 314 HB2 GLN 48 HB2 GLN 48 4.910 22.918 -3.442 315 HB3 GLN 48 HB3 GLN 48 4.990 23.144 -1.698 316 HG2 GLN 48 HG2 GLN 48 3.582 25.019 -3.624 317 HG3 GLN 48 HG3 GLN 48 2.780 23.791 -2.650 318 HE21 GLN 48 HE21 GLN 48 3.979 27.030 -2.629 319 HE22 GLN 48 HE22 GLN 48 3.739 27.334 -0.976 320 H LEU 49 H LEU 49 7.364 23.615 -0.842 321 HA LEU 49 HA LEU 49 6.904 25.920 0.938 322 HB2 LEU 49 HB2 LEU 49 8.139 23.235 1.576 323 HB3 LEU 49 HB3 LEU 49 7.579 24.446 2.724 324 HG LEU 49 HG LEU 49 5.767 23.081 0.710 325 HD11 LEU 49 HD11 LEU 49 5.025 21.661 2.554 326 HD12 LEU 49 HD12 LEU 49 6.159 22.451 3.649 327 HD13 LEU 49 HD13 LEU 49 6.761 21.462 2.318 328 HD21 LEU 49 HD21 LEU 49 4.039 23.870 2.441 329 HD22 LEU 49 HD22 LEU 49 4.769 25.117 1.437 330 HD23 LEU 49 HD23 LEU 49 5.318 24.889 3.097 331 H ASN 50 H ASN 50 9.429 24.160 -0.732 332 HA ASN 50 HA ASN 50 11.680 24.539 -0.981 333 HB2 ASN 50 HB2 ASN 50 10.899 27.367 -0.228 334 HB3 ASN 50 HB3 ASN 50 12.400 26.881 -1.016 335 HD21 ASN 50 HD21 ASN 50 9.355 28.109 -1.682 336 HD22 ASN 50 HD22 ASN 50 9.216 27.607 -3.298 337 H LEU 51 H LEU 51 11.522 23.211 1.167 338 HA LEU 51 HA LEU 51 13.268 24.529 3.125 339 HB2 LEU 51 HB2 LEU 51 10.682 23.100 3.812 340 HB3 LEU 51 HB3 LEU 51 11.914 23.539 4.987 341 HG LEU 51 HG LEU 51 10.477 25.528 3.205 342 HD11 LEU 51 HD11 LEU 51 8.902 24.463 4.734 343 HD12 LEU 51 HD12 LEU 51 9.230 26.109 5.274 344 HD13 LEU 51 HD13 LEU 51 9.993 24.745 6.092 345 HD21 LEU 51 HD21 LEU 51 12.507 25.754 5.428 346 HD22 LEU 51 HD22 LEU 51 11.361 27.062 5.145 347 HD23 LEU 51 HD23 LEU 51 12.469 26.580 3.871 348 H SER 52 H SER 52 13.303 22.407 4.951 349 HA SER 52 HA SER 52 14.944 20.513 3.560 350 HB2 SER 52 HB2 SER 52 15.412 21.122 5.889 351 HB3 SER 52 HB3 SER 52 13.847 20.475 6.384 352 HG SER 52 HG SER 52 14.752 18.497 5.193 353 H GLN 53 H GLN 53 14.337 18.689 2.579 354 HA GLN 53 HA GLN 53 11.712 17.978 2.080 355 HB2 GLN 53 HB2 GLN 53 12.685 15.701 1.495 356 HB3 GLN 53 HB3 GLN 53 13.426 17.083 0.685 357 HG2 GLN 53 HG2 GLN 53 15.272 17.087 2.261 358 HG3 GLN 53 HG3 GLN 53 14.499 15.831 3.228 359 HE21 GLN 53 HE21 GLN 53 16.632 14.644 2.755 360 HE22 GLN 53 HE22 GLN 53 16.737 13.771 1.303 361 H SER 54 H SER 54 13.552 17.443 4.928 362 HA SER 54 HA SER 54 12.054 15.161 5.865 363 HB2 SER 54 HB2 SER 54 13.355 15.344 7.855 364 HB3 SER 54 HB3 SER 54 14.439 15.756 6.529 365 HG SER 54 HG SER 54 13.987 17.961 6.968 366 H ASN 55 H ASN 55 11.647 18.573 5.876 367 HA ASN 55 HA ASN 55 10.015 18.776 8.212 368 HB2 ASN 55 HB2 ASN 55 11.189 20.718 7.301 369 HB3 ASN 55 HB3 ASN 55 10.250 20.606 5.813 370 HD21 ASN 55 HD21 ASN 55 8.964 22.491 5.962 371 HD22 ASN 55 HD22 ASN 55 7.922 22.821 7.260 372 H VAL 56 H VAL 56 9.298 18.518 4.737 373 HA VAL 56 HA VAL 56 6.461 18.660 5.111 374 HB VAL 56 HB VAL 56 7.490 19.324 2.989 375 HG11 VAL 56 HG11 VAL 56 9.317 17.557 3.152 376 HG12 VAL 56 HG12 VAL 56 8.597 17.752 1.555 377 HG13 VAL 56 HG13 VAL 56 8.125 16.393 2.576 378 HG21 VAL 56 HG21 VAL 56 5.921 18.250 1.530 379 HG22 VAL 56 HG22 VAL 56 5.150 18.309 3.114 380 HG23 VAL 56 HG23 VAL 56 5.870 16.805 2.539 381 H SER 57 H SER 57 8.796 16.034 4.712 382 HA SER 57 HA SER 57 6.975 13.928 4.354 383 HB2 SER 57 HB2 SER 57 8.787 12.467 4.851 384 HB3 SER 57 HB3 SER 57 9.506 13.875 4.071 385 HG SER 57 HG SER 57 10.641 13.315 5.953 386 H HIS 58 H HIS 58 8.268 15.397 7.305 387 HA HIS 58 HA HIS 58 7.074 13.486 9.072 388 HB2 HIS 58 HB2 HIS 58 8.153 16.270 9.572 389 HB3 HIS 58 HB3 HIS 58 7.664 15.143 10.837 390 HD1 HIS 58 HD1 HIS 58 9.209 13.486 7.955 391 HD2 HIS 58 HD2 HIS 58 10.545 15.175 11.525 392 HE1 HIS 58 HE1 HIS 58 11.563 12.630 8.313 393 HE2 HIS 58 HE2 HIS 58 12.391 13.643 10.488 394 H GLN 59 H GLN 59 6.147 16.666 7.844 395 HA GLN 59 HA GLN 59 3.868 16.949 9.548 396 HB2 GLN 59 HB2 GLN 59 4.762 18.343 7.024 397 HB3 GLN 59 HB3 GLN 59 3.258 18.756 7.847 398 HG2 GLN 59 HG2 GLN 59 5.904 18.675 9.305 399 HG3 GLN 59 HG3 GLN 59 5.338 20.127 8.481 400 HE21 GLN 59 HE21 GLN 59 5.252 18.515 11.453 401 HE22 GLN 59 HE22 GLN 59 3.900 19.297 12.120 402 H LEU 60 H LEU 60 4.406 15.579 6.348 403 HA LEU 60 HA LEU 60 1.690 15.465 5.560 404 HB2 LEU 60 HB2 LEU 60 3.748 15.211 4.083 405 HB3 LEU 60 HB3 LEU 60 3.889 13.576 4.715 406 HG LEU 60 HG LEU 60 1.382 13.335 3.979 407 HD11 LEU 60 HD11 LEU 60 2.297 15.722 2.345 408 HD12 LEU 60 HD12 LEU 60 0.880 15.622 3.391 409 HD13 LEU 60 HD13 LEU 60 0.940 14.695 1.896 410 HD21 LEU 60 HD21 LEU 60 2.140 12.775 1.629 411 HD22 LEU 60 HD22 LEU 60 3.099 12.037 2.913 412 HD23 LEU 60 HD23 LEU 60 3.714 13.450 2.053 413 H LYS 61 H LYS 61 3.748 13.291 7.417 414 HA LYS 61 HA LYS 61 1.990 11.056 7.382 415 HB2 LYS 61 HB2 LYS 61 4.414 10.955 7.996 416 HB3 LYS 61 HB3 LYS 61 4.023 11.779 9.505 417 HG2 LYS 61 HG2 LYS 61 2.500 9.959 10.129 418 HG3 LYS 61 HG3 LYS 61 2.818 9.147 8.596 419 HD2 LYS 61 HD2 LYS 61 5.219 8.972 9.209 420 HD3 LYS 61 HD3 LYS 61 4.862 9.728 10.762 421 HE2 LYS 61 HE2 LYS 61 3.252 7.874 11.242 422 HE3 LYS 61 HE3 LYS 61 3.750 7.098 9.739 423 HZ1 LYS 61 HZ1 LYS 61 5.215 7.411 12.246 424 HZ2 LYS 61 HZ2 LYS 61 6.113 7.479 10.806 425 HZ3 LYS 61 HZ3 LYS 61 5.183 6.104 11.165 426 H LEU 62 H LEU 62 2.300 13.878 9.462 427 HA LEU 62 HA LEU 62 0.689 13.079 11.596 428 HB2 LEU 62 HB2 LEU 62 1.997 15.119 11.689 429 HB3 LEU 62 HB3 LEU 62 1.079 15.814 10.358 430 HG LEU 62 HG LEU 62 -0.938 15.886 11.721 431 HD11 LEU 62 HD11 LEU 62 -0.609 15.289 14.234 432 HD12 LEU 62 HD12 LEU 62 0.766 14.337 13.675 433 HD13 LEU 62 HD13 LEU 62 -0.859 13.970 13.098 434 HD21 LEU 62 HD21 LEU 62 0.533 17.793 11.935 435 HD22 LEU 62 HD22 LEU 62 1.536 16.945 13.111 436 HD23 LEU 62 HD23 LEU 62 -0.108 17.421 13.535 437 H LEU 63 H LEU 63 -0.163 14.226 8.388 438 HA LEU 63 HA LEU 63 -2.943 14.628 8.988 439 HB2 LEU 63 HB2 LEU 63 -1.788 14.168 6.240 440 HB3 LEU 63 HB3 LEU 63 -3.203 15.119 6.690 441 HG LEU 63 HG LEU 63 -0.321 15.768 7.384 442 HD11 LEU 63 HD11 LEU 63 -1.076 16.133 4.999 443 HD12 LEU 63 HD12 LEU 63 -0.558 17.597 5.835 444 HD13 LEU 63 HD13 LEU 63 -2.277 17.265 5.621 445 HD21 LEU 63 HD21 LEU 63 -1.449 17.960 8.139 446 HD22 LEU 63 HD22 LEU 63 -1.636 16.562 9.196 447 HD23 LEU 63 HD23 LEU 63 -2.958 17.046 8.132 448 H LYS 64 H LYS 64 -0.989 11.914 8.042 449 HA LYS 64 HA LYS 64 -3.087 10.302 6.969 450 HB2 LYS 64 HB2 LYS 64 -0.412 9.539 8.168 451 HB3 LYS 64 HB3 LYS 64 -1.488 8.429 7.319 452 HG2 LYS 64 HG2 LYS 64 -1.359 9.867 5.302 453 HG3 LYS 64 HG3 LYS 64 -0.266 10.950 6.158 454 HD2 LYS 64 HD2 LYS 64 1.094 9.484 4.816 455 HD3 LYS 64 HD3 LYS 64 1.291 8.999 6.497 456 HE2 LYS 64 HE2 LYS 64 0.032 7.042 6.215 457 HE3 LYS 64 HE3 LYS 64 -0.808 7.662 4.793 458 HZ1 LYS 64 HZ1 LYS 64 1.570 7.705 3.803 459 HZ2 LYS 64 HZ2 LYS 64 0.707 6.244 3.866 460 HZ3 LYS 64 HZ3 LYS 64 1.908 6.572 5.021 461 H SER 65 H SER 65 -2.374 11.314 10.118 462 HA SER 65 HA SER 65 -2.923 9.134 11.729 463 HB2 SER 65 HB2 SER 65 -3.819 11.992 12.182 464 HB3 SER 65 HB3 SER 65 -3.664 10.746 13.420 465 HG SER 65 HG SER 65 -1.733 11.623 13.539 466 H VAL 66 H VAL 66 -5.331 11.578 10.727 467 HA VAL 66 HA VAL 66 -7.509 9.758 11.420 468 HB VAL 66 HB VAL 66 -8.953 11.651 11.055 469 HG11 VAL 66 HG11 VAL 66 -7.524 11.555 13.137 470 HG12 VAL 66 HG12 VAL 66 -8.056 13.177 12.696 471 HG13 VAL 66 HG13 VAL 66 -6.405 12.665 12.346 472 HG21 VAL 66 HG21 VAL 66 -6.499 12.841 9.750 473 HG22 VAL 66 HG22 VAL 66 -7.836 13.847 10.311 474 HG23 VAL 66 HG23 VAL 66 -8.111 12.633 9.063 475 H HIS 67 H HIS 67 -5.708 9.206 9.111 476 HA HIS 67 HA HIS 67 -5.864 8.437 6.954 477 HB2 HIS 67 HB2 HIS 67 -8.785 8.235 7.727 478 HB3 HIS 67 HB3 HIS 67 -8.054 7.472 6.316 479 HD1 HIS 67 HD1 HIS 67 -5.677 7.464 9.034 480 HD2 HIS 67 HD2 HIS 67 -8.881 5.041 7.919 481 HE1 HIS 67 HE1 HIS 67 -5.390 5.282 10.282 482 HE2 HIS 67 HE2 HIS 67 -7.333 3.790 9.612 483 H LEU 68 H LEU 68 -6.062 11.337 7.375 484 HA LEU 68 HA LEU 68 -8.047 12.412 5.655 485 HB2 LEU 68 HB2 LEU 68 -6.653 13.582 7.495 486 HB3 LEU 68 HB3 LEU 68 -5.397 13.712 6.274 487 HG LEU 68 HG LEU 68 -7.325 14.737 4.788 488 HD11 LEU 68 HD11 LEU 68 -9.206 14.329 6.271 489 HD12 LEU 68 HD12 LEU 68 -8.919 16.063 6.201 490 HD13 LEU 68 HD13 LEU 68 -8.383 15.142 7.603 491 HD21 LEU 68 HD21 LEU 68 -6.105 16.255 7.112 492 HD22 LEU 68 HD22 LEU 68 -6.800 16.988 5.665 493 HD23 LEU 68 HD23 LEU 68 -5.351 15.989 5.540 494 H VAL 69 H VAL 69 -5.119 10.777 5.053 495 HA VAL 69 HA VAL 69 -5.262 11.454 2.178 496 HB VAL 69 HB VAL 69 -2.756 11.478 3.879 497 HG11 VAL 69 HG11 VAL 69 -3.216 11.615 0.893 498 HG12 VAL 69 HG12 VAL 69 -2.174 10.501 1.781 499 HG13 VAL 69 HG13 VAL 69 -1.734 12.204 1.647 500 HG21 VAL 69 HG21 VAL 69 -3.929 13.556 4.126 501 HG22 VAL 69 HG22 VAL 69 -4.314 13.615 2.404 502 HG23 VAL 69 HG23 VAL 69 -2.651 13.845 2.945 503 H LYS 70 H LYS 70 -4.208 9.898 0.820 504 HA LYS 70 HA LYS 70 -3.752 7.229 2.031 505 HB2 LYS 70 HB2 LYS 70 -6.044 7.484 0.952 506 HB3 LYS 70 HB3 LYS 70 -5.199 7.681 -0.583 507 HG2 LYS 70 HG2 LYS 70 -4.019 5.494 -0.108 508 HG3 LYS 70 HG3 LYS 70 -5.105 5.283 1.266 509 HD2 LYS 70 HD2 LYS 70 -5.956 5.617 -1.627 510 HD3 LYS 70 HD3 LYS 70 -5.971 4.106 -0.720 511 HE2 LYS 70 HE2 LYS 70 -7.481 5.418 0.969 512 HE3 LYS 70 HE3 LYS 70 -7.723 6.532 -0.379 513 HZ1 LYS 70 HZ1 LYS 70 -9.427 4.914 -0.471 514 HZ2 LYS 70 HZ2 LYS 70 -8.328 3.631 -0.301 515 HZ3 LYS 70 HZ3 LYS 70 -8.345 4.550 -1.729 516 H ALA 71 H ALA 71 -2.085 6.093 1.170 517 HA ALA 71 HA ALA 71 -0.362 7.516 -0.765 518 HB1 ALA 71 HB1 ALA 71 0.490 6.839 1.523 519 HB2 ALA 71 HB2 ALA 71 1.448 6.271 0.156 520 HB3 ALA 71 HB3 ALA 71 0.356 5.164 0.987 521 H LYS 72 H LYS 72 -0.085 6.775 -2.749 522 HA LYS 72 HA LYS 72 -1.040 4.061 -3.457 523 HB2 LYS 72 HB2 LYS 72 -1.845 6.343 -4.566 524 HB3 LYS 72 HB3 LYS 72 -0.372 6.163 -5.506 525 HG2 LYS 72 HG2 LYS 72 -2.662 4.187 -5.306 526 HG3 LYS 72 HG3 LYS 72 -2.195 5.131 -6.720 527 HD2 LYS 72 HD2 LYS 72 0.091 3.952 -6.527 528 HD3 LYS 72 HD3 LYS 72 -0.717 2.833 -5.429 529 HE2 LYS 72 HE2 LYS 72 -1.311 3.338 -8.345 530 HE3 LYS 72 HE3 LYS 72 -0.907 1.812 -7.559 531 HZ1 LYS 72 HZ1 LYS 72 -3.294 2.061 -8.072 532 HZ2 LYS 72 HZ2 LYS 72 -3.366 3.376 -6.999 533 HZ3 LYS 72 HZ3 LYS 72 -2.988 1.825 -6.420 534 H ARG 73 H ARG 73 0.472 2.570 -3.804 535 HA ARG 73 HA ARG 73 3.278 3.328 -3.888 536 HB2 ARG 73 HB2 ARG 73 2.078 0.559 -4.061 537 HB3 ARG 73 HB3 ARG 73 3.722 0.994 -3.589 538 HG2 ARG 73 HG2 ARG 73 2.763 2.265 -1.650 539 HG3 ARG 73 HG3 ARG 73 1.170 1.648 -2.087 540 HD2 ARG 73 HD2 ARG 73 2.066 -0.677 -1.863 541 HD3 ARG 73 HD3 ARG 73 3.591 0.001 -1.298 542 HE ARG 73 HE ARG 73 1.505 1.049 0.282 543 HH11 ARG 73 HH21 ARG 73 3.131 -1.928 -0.412 544 HH12 ARG 73 HH22 ARG 73 2.859 -2.602 1.160 545 HH21 ARG 73 HH11 ARG 73 1.146 0.171 2.342 546 HH22 ARG 73 HH12 ARG 73 1.737 -1.412 2.720 547 H GLN 74 H GLN 74 4.397 3.630 -5.679 548 HA GLN 74 HA GLN 74 3.620 2.229 -8.181 549 HB2 GLN 74 HB2 GLN 74 4.610 5.079 -7.907 550 HB3 GLN 74 HB3 GLN 74 4.273 4.241 -9.422 551 HG2 GLN 74 HG2 GLN 74 2.212 4.660 -7.242 552 HG3 GLN 74 HG3 GLN 74 2.402 5.735 -8.626 553 HE21 GLN 74 HE21 GLN 74 1.162 2.630 -7.590 554 HE22 GLN 74 HE22 GLN 74 0.506 2.178 -9.089 555 H GLY 75 H GLY 75 5.184 0.755 -8.436 556 HA2 GLY 75 HA2 GLY 75 7.272 -0.161 -8.735 557 HA3 GLY 75 HA3 GLY 75 7.796 1.467 -9.154 558 H GLN 76 H GLN 76 8.611 2.838 -7.504 559 HA GLN 76 HA GLN 76 9.168 1.640 -4.868 560 HB2 GLN 76 HB2 GLN 76 11.239 2.587 -6.853 561 HB3 GLN 76 HB3 GLN 76 11.568 2.445 -5.126 562 HG2 GLN 76 HG2 GLN 76 10.970 0.067 -5.188 563 HG3 GLN 76 HG3 GLN 76 10.575 0.194 -6.901 564 HE21 GLN 76 HE21 GLN 76 12.484 -1.661 -6.404 565 HE22 GLN 76 HE22 GLN 76 14.035 -1.089 -6.788 566 H SER 77 H SER 77 8.349 4.271 -6.810 567 HA SER 77 HA SER 77 9.222 6.334 -4.932 568 HB2 SER 77 HB2 SER 77 9.260 6.726 -7.390 569 HB3 SER 77 HB3 SER 77 7.506 6.563 -7.414 570 HG SER 77 HG SER 77 9.111 8.593 -6.382 571 H MET 78 H MET 78 7.982 7.182 -3.372 572 HA MET 78 HA MET 78 5.308 6.066 -2.941 573 HB2 MET 78 HB2 MET 78 6.997 7.861 -1.184 574 HB3 MET 78 HB3 MET 78 5.509 7.039 -0.714 575 HG2 MET 78 HG2 MET 78 7.932 5.552 -1.748 576 HG3 MET 78 HG3 MET 78 7.680 5.878 -0.035 577 HE1 MET 78 HE1 MET 78 5.215 3.465 1.187 578 HE2 MET 78 HE2 MET 78 5.361 5.222 1.213 579 HE3 MET 78 HE3 MET 78 6.798 4.216 1.397 580 H ILE 79 H ILE 79 4.102 7.193 -4.521 581 HA ILE 79 HA ILE 79 3.969 10.107 -4.422 582 HB ILE 79 HB ILE 79 2.516 8.007 -6.041 583 HG12 ILE 79 HG12 ILE 79 3.693 9.177 -7.907 584 HG13 ILE 79 HG13 ILE 79 4.495 10.202 -6.721 585 HG21 ILE 79 HG21 ILE 79 1.617 10.037 -7.305 586 HG22 ILE 79 HG22 ILE 79 2.102 11.003 -5.912 587 HG23 ILE 79 HG23 ILE 79 0.889 9.737 -5.727 588 HD11 ILE 79 HD11 ILE 79 5.714 8.060 -7.609 589 HD12 ILE 79 HD12 ILE 79 4.683 7.206 -6.464 590 HD13 ILE 79 HD13 ILE 79 5.799 8.449 -5.894 591 H TYR 80 H TYR 80 1.878 11.185 -4.063 592 HA TYR 80 HA TYR 80 0.015 9.738 -2.273 593 HB2 TYR 80 HB2 TYR 80 1.192 12.466 -1.689 594 HB3 TYR 80 HB3 TYR 80 0.044 11.575 -0.690 595 HD1 TYR 80 HD2 TYR 80 0.738 9.393 0.358 596 HD2 TYR 80 HD1 TYR 80 3.534 11.991 -1.612 597 HE1 TYR 80 HE2 TYR 80 2.616 8.217 1.472 598 HE2 TYR 80 HE1 TYR 80 5.411 10.819 -0.495 599 HH TYR 80 HH TYR 80 5.964 8.903 0.641 600 H SER 81 H SER 81 -2.061 10.608 -2.169 601 HA SER 81 HA SER 81 -2.780 12.882 -3.854 602 HB2 SER 81 HB2 SER 81 -2.955 11.265 -5.555 603 HB3 SER 81 HB3 SER 81 -3.557 10.034 -4.445 604 HG SER 81 HG SER 81 -5.500 11.023 -4.379 605 H LEU 82 H LEU 82 -5.367 12.951 -3.813 606 HA LEU 82 HA LEU 82 -6.085 13.318 -1.085 607 HB2 LEU 82 HB2 LEU 82 -8.025 13.090 -3.387 608 HB3 LEU 82 HB3 LEU 82 -8.216 14.004 -1.892 609 HG LEU 82 HG LEU 82 -6.145 14.580 -4.034 610 HD11 LEU 82 HD11 LEU 82 -8.290 15.173 -4.905 611 HD12 LEU 82 HD12 LEU 82 -7.585 16.672 -4.300 612 HD13 LEU 82 HD13 LEU 82 -8.814 15.831 -3.354 613 HD21 LEU 82 HD21 LEU 82 -5.269 15.331 -1.953 614 HD22 LEU 82 HD22 LEU 82 -6.852 15.875 -1.394 615 HD23 LEU 82 HD23 LEU 82 -6.012 16.761 -2.666 616 H ASP 83 H ASP 83 -7.775 12.239 0.091 617 HA ASP 83 HA ASP 83 -7.587 9.384 -0.085 618 HB2 ASP 83 HB2 ASP 83 -7.900 10.805 2.031 619 HB3 ASP 83 HB3 ASP 83 -9.596 10.917 1.566 620 H ASP 84 H ASP 84 -10.039 11.797 -0.904 621 HA ASP 84 HA ASP 84 -11.294 9.972 -2.752 622 HB2 ASP 84 HB2 ASP 84 -12.936 11.034 -0.439 623 HB3 ASP 84 HB3 ASP 84 -13.501 10.005 -1.753 624 H ILE 85 H ILE 85 -13.572 11.266 -3.366 625 HA ILE 85 HA ILE 85 -12.601 13.729 -4.503 626 HB ILE 85 HB ILE 85 -14.086 12.175 -5.742 627 HG12 ILE 85 HG12 ILE 85 -15.385 14.863 -5.207 628 HG13 ILE 85 HG13 ILE 85 -13.993 14.626 -6.263 629 HG21 ILE 85 HG21 ILE 85 -15.435 11.608 -3.648 630 HG22 ILE 85 HG22 ILE 85 -16.375 11.875 -5.116 631 HG23 ILE 85 HG23 ILE 85 -16.276 13.140 -3.891 632 HD11 ILE 85 HD11 ILE 85 -15.396 12.944 -7.550 633 HD12 ILE 85 HD12 ILE 85 -15.941 14.616 -7.673 634 HD13 ILE 85 HD13 ILE 85 -16.780 13.492 -6.604 635 H HIS 86 H HIS 86 -14.667 12.800 -1.835 636 HA HIS 86 HA HIS 86 -16.073 15.179 -1.433 637 HB2 HIS 86 HB2 HIS 86 -15.036 13.365 0.753 638 HB3 HIS 86 HB3 HIS 86 -16.459 14.405 0.808 639 HD1 HIS 86 HD1 HIS 86 -15.565 10.993 0.239 640 HD2 HIS 86 HD2 HIS 86 -18.373 13.572 -1.449 641 HE1 HIS 86 HE1 HIS 86 -17.274 9.531 -0.921 642 HE2 HIS 86 HE2 HIS 86 -18.991 11.085 -1.958 643 H VAL 87 H VAL 87 -12.729 14.562 -1.104 644 HA VAL 87 HA VAL 87 -12.120 16.414 0.967 645 HB VAL 87 HB VAL 87 -10.297 15.528 -1.277 646 HG11 VAL 87 HG11 VAL 87 -9.799 16.403 1.586 647 HG12 VAL 87 HG12 VAL 87 -9.455 17.356 0.142 648 HG13 VAL 87 HG13 VAL 87 -8.558 15.869 0.450 649 HG21 VAL 87 HG21 VAL 87 -9.679 13.657 0.210 650 HG22 VAL 87 HG22 VAL 87 -11.386 13.574 -0.226 651 HG23 VAL 87 HG23 VAL 87 -10.910 14.166 1.365 652 H ALA 88 H ALA 88 -12.045 16.657 -2.584 653 HA ALA 88 HA ALA 88 -11.080 19.333 -2.624 654 HB1 ALA 88 HB1 ALA 88 -11.706 19.281 -5.009 655 HB2 ALA 88 HB2 ALA 88 -12.577 17.770 -4.741 656 HB3 ALA 88 HB3 ALA 88 -10.825 17.826 -4.541 657 H THR 89 H THR 89 -14.147 18.017 -1.940 658 HA THR 89 HA THR 89 -15.714 20.239 -2.903 659 HB THR 89 HB THR 89 -17.581 19.128 -1.810 660 HG1 THR 89 HG1 THR 89 -17.218 17.369 -0.486 661 HG21 THR 89 HG21 THR 89 -16.777 18.215 -3.962 662 HG22 THR 89 HG22 THR 89 -17.431 16.940 -2.935 663 HG23 THR 89 HG23 THR 89 -15.685 17.136 -3.092 664 H MET 90 H MET 90 -15.255 18.975 0.406 665 HA MET 90 HA MET 90 -16.301 21.108 1.788 666 HB2 MET 90 HB2 MET 90 -15.037 20.345 3.710 667 HB3 MET 90 HB3 MET 90 -15.584 18.942 2.792 668 HG2 MET 90 HG2 MET 90 -13.297 19.057 1.601 669 HG3 MET 90 HG3 MET 90 -12.813 20.140 2.907 670 HE1 MET 90 HE1 MET 90 -10.953 18.037 2.851 671 HE2 MET 90 HE2 MET 90 -10.996 17.295 4.449 672 HE3 MET 90 HE3 MET 90 -11.157 19.042 4.287 673 H LEU 91 H LEU 91 -12.929 20.703 0.725 674 HA LEU 91 HA LEU 91 -11.862 22.966 1.944 675 HB2 LEU 91 HB2 LEU 91 -10.751 21.004 0.600 676 HB3 LEU 91 HB3 LEU 91 -10.934 22.075 -0.779 677 HG LEU 91 HG LEU 91 -8.740 22.413 0.135 678 HD11 LEU 91 HD11 LEU 91 -10.152 24.413 -0.576 679 HD12 LEU 91 HD12 LEU 91 -8.751 24.759 0.435 680 HD13 LEU 91 HD13 LEU 91 -10.363 24.745 1.145 681 HD21 LEU 91 HD21 LEU 91 -9.585 21.612 2.526 682 HD22 LEU 91 HD22 LEU 91 -9.744 23.344 2.806 683 HD23 LEU 91 HD23 LEU 91 -8.188 22.663 2.353 684 H LYS 92 H LYS 92 -12.771 22.709 -1.500 685 HA LYS 92 HA LYS 92 -12.496 25.365 -2.181 686 HB2 LYS 92 HB2 LYS 92 -13.039 23.371 -3.687 687 HB3 LYS 92 HB3 LYS 92 -14.727 23.635 -3.249 688 HG2 LYS 92 HG2 LYS 92 -14.343 26.082 -3.968 689 HG3 LYS 92 HG3 LYS 92 -12.862 25.500 -4.727 690 HD2 LYS 92 HD2 LYS 92 -15.683 24.553 -5.309 691 HD3 LYS 92 HD3 LYS 92 -14.648 25.494 -6.381 692 HE2 LYS 92 HE2 LYS 92 -12.978 23.546 -6.204 693 HE3 LYS 92 HE3 LYS 92 -14.311 22.622 -5.512 694 HZ1 LYS 92 HZ1 LYS 92 -15.623 23.155 -7.495 695 HZ2 LYS 92 HZ2 LYS 92 -14.215 22.286 -7.879 696 HZ3 LYS 92 HZ3 LYS 92 -14.286 23.959 -8.164 697 H GLN 93 H GLN 93 -15.625 23.827 -1.412 698 HA GLN 93 HA GLN 93 -17.186 26.090 -1.384 699 HB2 GLN 93 HB2 GLN 93 -18.168 23.899 -1.263 700 HB3 GLN 93 HB3 GLN 93 -17.414 23.587 0.297 701 HG2 GLN 93 HG2 GLN 93 -19.257 25.955 -0.042 702 HG3 GLN 93 HG3 GLN 93 -19.928 24.349 0.208 703 HE21 GLN 93 HE21 GLN 93 -19.517 26.953 1.983 704 HE22 GLN 93 HE22 GLN 93 -18.971 26.294 3.449 705 H ALA 94 H ALA 94 -14.741 25.244 0.861 706 HA ALA 94 HA ALA 94 -15.747 26.485 3.191 707 HB1 ALA 94 HB1 ALA 94 -13.707 24.921 2.933 708 HB2 ALA 94 HB2 ALA 94 -13.593 26.243 4.092 709 HB3 ALA 94 HB3 ALA 94 -12.811 26.382 2.518 710 H ILE 95 H ILE 95 -13.214 27.723 0.994 711 HA ILE 95 HA ILE 95 -13.228 30.311 2.110 712 HB ILE 95 HB ILE 95 -11.992 30.962 0.028 713 HG12 ILE 95 HG12 ILE 95 -12.298 28.037 -0.697 714 HG13 ILE 95 HG13 ILE 95 -13.252 29.323 -1.439 715 HG21 ILE 95 HG21 ILE 95 -10.083 29.388 0.465 716 HG22 ILE 95 HG22 ILE 95 -11.163 28.436 1.484 717 HG23 ILE 95 HG23 ILE 95 -10.764 30.094 1.931 718 HD11 ILE 95 HD11 ILE 95 -11.099 30.454 -2.083 719 HD12 ILE 95 HD12 ILE 95 -11.334 28.888 -2.860 720 HD13 ILE 95 HD13 ILE 95 -10.234 29.036 -1.490 721 H HIS 96 H HIS 96 -15.416 28.819 -0.064 722 HA HIS 96 HA HIS 96 -16.303 31.241 -1.353 723 HB2 HIS 96 HB2 HIS 96 -17.348 28.417 -1.199 724 HB3 HIS 96 HB3 HIS 96 -18.337 29.693 -1.903 725 HD1 HIS 96 HD1 HIS 96 -16.595 27.154 -3.244 726 HD2 HIS 96 HD2 HIS 96 -16.068 31.268 -3.678 727 HE1 HIS 96 HE1 HIS 96 -15.444 27.503 -5.472 728 HE2 HIS 96 HE2 HIS 96 -15.042 29.995 -5.713 729 H HIS 97 H HIS 97 -17.346 29.322 1.444 730 HA HIS 97 HA HIS 97 -19.756 30.598 2.006 731 HB2 HIS 97 HB2 HIS 97 -18.850 28.644 3.273 732 HB3 HIS 97 HB3 HIS 97 -17.705 29.733 4.058 733 HD1 HIS 97 HD1 HIS 97 -21.452 29.217 3.679 734 HD2 HIS 97 HD2 HIS 97 -18.772 31.183 6.196 735 HE1 HIS 97 HE1 HIS 97 -22.822 30.151 5.591 736 HE2 HIS 97 HE2 HIS 97 -21.206 31.361 7.132 737 H ALA 98 H ALA 98 -16.625 31.394 3.547 738 HA ALA 98 HA ALA 98 -17.349 33.819 4.673 739 HB1 ALA 98 HB1 ALA 98 -14.671 33.148 3.424 740 HB2 ALA 98 HB2 ALA 98 -15.171 32.693 5.053 741 HB3 ALA 98 HB3 ALA 98 -14.974 34.394 4.635 742 H ASN 99 H ASN 99 -15.344 33.677 1.736 743 HA ASN 99 HA ASN 99 -16.137 36.267 0.845 744 HB2 ASN 99 HB2 ASN 99 -14.790 33.967 -0.590 745 HB3 ASN 99 HB3 ASN 99 -15.023 35.566 -1.294 746 HD21 ASN 99 HD21 ASN 99 -12.606 33.851 -0.016 747 HD22 ASN 99 HD22 ASN 99 -11.769 35.054 0.840 748 H HIS 100 H HIS 100 -18.434 36.184 0.893 749 HA HIS 100 HA HIS 100 -19.878 34.245 -0.632 750 HB2 HIS 100 HB2 HIS 100 -20.706 35.488 1.429 751 HB3 HIS 100 HB3 HIS 100 -20.962 36.876 0.374 752 HD1 HIS 100 HD1 HIS 100 -21.884 33.167 0.390 753 HD2 HIS 100 HD2 HIS 100 -23.463 36.842 -0.785 754 HE1 HIS 100 HE1 HIS 100 -24.204 32.695 -0.504 755 HE2 HIS 100 HE2 HIS 100 -25.181 34.923 -1.227 756 HA PRO 101 HA PRO 101 -20.468 37.719 -3.764 757 HB2 PRO 101 HB2 PRO 101 -18.974 39.949 -3.730 758 HB3 PRO 101 HB3 PRO 101 -20.279 39.715 -2.553 759 HG2 PRO 101 HG2 PRO 101 -17.330 39.391 -2.197 760 HG3 PRO 101 HG3 PRO 101 -18.520 40.078 -1.086 761 HD2 PRO 101 HD2 PRO 101 -17.534 37.431 -1.003 762 HD3 PRO 101 HD3 PRO 101 -18.992 38.005 -0.168 763 H LYS 102 H LYS 102 -19.465 35.871 -4.896 764 HA LYS 102 HA LYS 102 -17.491 36.700 -6.759 765 HB2 LYS 102 HB2 LYS 102 -16.067 36.267 -4.712 766 HB3 LYS 102 HB3 LYS 102 -16.551 34.576 -4.822 767 HG2 LYS 102 HG2 LYS 102 -15.560 34.364 -7.014 768 HG3 LYS 102 HG3 LYS 102 -15.251 36.099 -7.096 769 HD2 LYS 102 HD2 LYS 102 -13.762 35.876 -5.094 770 HD3 LYS 102 HD3 LYS 102 -13.992 34.128 -5.167 771 HE2 LYS 102 HE2 LYS 102 -12.980 35.718 -7.533 772 HE3 LYS 102 HE3 LYS 102 -11.893 35.045 -6.319 773 HZ1 LYS 102 HZ1 LYS 102 -12.025 33.107 -7.345 774 HZ2 LYS 102 HZ2 LYS 102 -13.116 33.740 -8.481 775 HZ3 LYS 102 HZ3 LYS 102 -13.695 33.047 -7.043 776 H GLU 103 H GLU 103 -17.107 35.104 -8.401 777 HA GLU 103 HA GLU 103 -18.408 32.527 -8.246 778 HB2 GLU 103 HB2 GLU 103 -19.937 32.991 -10.169 779 HB3 GLU 103 HB3 GLU 103 -20.366 33.880 -8.708 780 HG2 GLU 103 HG2 GLU 103 -19.106 35.849 -9.588 781 HG3 GLU 103 HG3 GLU 103 -18.812 34.957 -11.079 782 H ASN 9 H ASN 9 -5.964 37.126 -2.468 783 HA ASN 9 HA ASN 9 -4.407 35.490 -1.912 784 HB2 ASN 9 HB2 ASN 9 -3.024 38.131 -1.378 785 HB3 ASN 9 HB3 ASN 9 -2.320 36.680 -2.090 786 HD21 ASN 9 HD21 ASN 9 -4.411 35.996 -3.919 787 HD22 ASN 9 HD22 ASN 9 -4.509 37.215 -5.097 788 H THR 10 H THR 10 -3.608 38.096 0.386 789 HA THR 10 HA THR 10 -2.764 36.173 2.373 790 HB THR 10 HB THR 10 -3.063 39.174 2.631 791 HG1 THR 10 HG1 THR 10 -1.504 39.161 1.238 792 HG21 THR 10 HG21 THR 10 -1.472 37.096 4.161 793 HG22 THR 10 HG22 THR 10 -2.835 38.034 4.772 794 HG23 THR 10 HG23 THR 10 -1.314 38.838 4.387 795 H ASP 11 H ASP 11 -5.564 38.174 1.748 796 HA ASP 11 HA ASP 11 -6.733 38.169 4.297 797 HB2 ASP 11 HB2 ASP 11 -8.861 38.590 3.091 798 HB3 ASP 11 HB3 ASP 11 -7.546 39.615 2.516 799 H THR 12 H THR 12 -7.284 35.946 1.559 800 HA THR 12 HA THR 12 -9.116 34.281 2.931 801 HB THR 12 HB THR 12 -9.114 34.146 0.566 802 HG1 THR 12 HG1 THR 12 -9.426 32.109 0.948 803 HG21 THR 12 HG21 THR 12 -6.140 33.670 0.862 804 HG22 THR 12 HG22 THR 12 -6.941 35.009 0.039 805 HG23 THR 12 HG23 THR 12 -7.008 33.384 -0.648 806 H LEU 13 H LEU 13 -5.664 34.485 2.963 807 HA LEU 13 HA LEU 13 -5.136 31.830 3.850 808 HB2 LEU 13 HB2 LEU 13 -3.578 33.720 2.819 809 HB3 LEU 13 HB3 LEU 13 -3.310 34.130 4.502 810 HG LEU 13 HG LEU 13 -1.575 32.620 3.879 811 HD11 LEU 13 HD11 LEU 13 -3.569 30.864 5.304 812 HD12 LEU 13 HD12 LEU 13 -2.818 32.259 6.082 813 HD13 LEU 13 HD13 LEU 13 -1.820 30.923 5.509 814 HD21 LEU 13 HD21 LEU 13 -3.460 30.411 3.101 815 HD22 LEU 13 HD22 LEU 13 -1.786 30.683 2.638 816 HD23 LEU 13 HD23 LEU 13 -3.063 31.650 1.914 817 H GLU 14 H GLU 14 -5.391 34.946 5.540 818 HA GLU 14 HA GLU 14 -5.046 33.789 8.149 819 HB2 GLU 14 HB2 GLU 14 -5.773 36.036 8.951 820 HB3 GLU 14 HB3 GLU 14 -4.450 36.115 7.787 821 HG2 GLU 14 HG2 GLU 14 -6.056 36.590 5.985 822 HG3 GLU 14 HG3 GLU 14 -7.388 36.495 7.134 823 H ARG 15 H ARG 15 -7.570 33.798 5.960 824 HA ARG 15 HA ARG 15 -9.753 33.929 7.875 825 HB2 ARG 15 HB2 ARG 15 -9.849 34.703 5.436 826 HB3 ARG 15 HB3 ARG 15 -9.896 32.998 5.010 827 HG2 ARG 15 HG2 ARG 15 -12.174 33.483 5.130 828 HG3 ARG 15 HG3 ARG 15 -11.873 32.896 6.760 829 HD2 ARG 15 HD2 ARG 15 -11.689 35.191 7.587 830 HD3 ARG 15 HD3 ARG 15 -11.841 35.819 5.949 831 HE ARG 15 HE ARG 15 -14.128 35.544 6.132 832 HH11 ARG 15 HH21 ARG 15 -12.472 33.585 8.453 833 HH12 ARG 15 HH22 ARG 15 -13.918 33.063 9.250 834 HH21 ARG 15 HH11 ARG 15 -16.028 34.869 7.174 835 HH22 ARG 15 HH12 ARG 15 -15.932 33.796 8.531 836 H VAL 16 H VAL 16 -8.539 31.438 5.626 837 HA VAL 16 HA VAL 16 -10.099 29.326 6.461 838 HB VAL 16 HB VAL 16 -8.207 27.866 5.659 839 HG11 VAL 16 HG11 VAL 16 -9.848 28.596 4.062 840 HG12 VAL 16 HG12 VAL 16 -8.269 28.851 3.317 841 HG13 VAL 16 HG13 VAL 16 -9.153 30.216 4.001 842 HG21 VAL 16 HG21 VAL 16 -6.885 30.555 5.187 843 HG22 VAL 16 HG22 VAL 16 -6.254 28.986 4.685 844 HG23 VAL 16 HG23 VAL 16 -6.377 29.379 6.400 845 H THR 17 H THR 17 -7.738 30.945 8.278 846 HA THR 17 HA THR 17 -7.000 28.678 9.946 847 HB THR 17 HB THR 17 -6.453 31.601 10.463 848 HG1 THR 17 HG1 THR 17 -5.121 31.546 8.864 849 HG21 THR 17 HG21 THR 17 -4.458 30.633 11.605 850 HG22 THR 17 HG22 THR 17 -5.072 29.018 11.249 851 HG23 THR 17 HG23 THR 17 -5.975 30.089 12.321 852 H GLU 18 H GLU 18 -8.730 31.762 10.440 853 HA GLU 18 HA GLU 18 -9.501 31.119 13.107 854 HB2 GLU 18 HB2 GLU 18 -11.038 33.115 12.802 855 HB3 GLU 18 HB3 GLU 18 -9.324 33.426 12.523 856 HG2 GLU 18 HG2 GLU 18 -9.609 33.336 10.141 857 HG3 GLU 18 HG3 GLU 18 -11.251 32.712 10.300 858 H ILE 19 H ILE 19 -10.938 30.520 9.984 859 HA ILE 19 HA ILE 19 -13.621 30.273 10.636 860 HB ILE 19 HB ILE 19 -12.618 30.064 8.342 861 HG12 ILE 19 HG12 ILE 19 -14.486 27.833 9.201 862 HG13 ILE 19 HG13 ILE 19 -14.978 29.487 8.834 863 HG21 ILE 19 HG21 ILE 19 -11.670 28.018 7.610 864 HG22 ILE 19 HG22 ILE 19 -12.215 27.152 9.045 865 HG23 ILE 19 HG23 ILE 19 -10.905 28.326 9.168 866 HD11 ILE 19 HD11 ILE 19 -13.812 27.430 6.949 867 HD12 ILE 19 HD12 ILE 19 -13.876 29.145 6.546 868 HD13 ILE 19 HD13 ILE 19 -15.369 28.251 6.832 869 H PHE 20 H PHE 20 -11.066 27.805 10.904 870 HA PHE 20 HA PHE 20 -12.774 25.775 11.932 871 HB2 PHE 20 HB2 PHE 20 -9.778 26.166 12.037 872 HB3 PHE 20 HB3 PHE 20 -10.585 24.745 12.696 873 HD1 PHE 20 HD2 PHE 20 -12.248 23.502 11.106 874 HD2 PHE 20 HD1 PHE 20 -9.184 26.194 9.756 875 HE1 PHE 20 HE2 PHE 20 -12.360 22.495 8.843 876 HE2 PHE 20 HE1 PHE 20 -9.300 25.189 7.491 877 HZ PHE 20 HZ PHE 20 -10.887 23.340 7.035 878 H LYS 21 H LYS 21 -10.403 27.910 13.530 879 HA LYS 21 HA LYS 21 -10.752 27.113 16.145 880 HB2 LYS 21 HB2 LYS 21 -9.067 28.756 15.445 881 HB3 LYS 21 HB3 LYS 21 -10.338 29.938 15.133 882 HG2 LYS 21 HG2 LYS 21 -10.913 30.081 17.440 883 HG3 LYS 21 HG3 LYS 21 -9.995 28.628 17.837 884 HD2 LYS 21 HD2 LYS 21 -7.902 29.752 17.411 885 HD3 LYS 21 HD3 LYS 21 -8.734 31.160 16.750 886 HE2 LYS 21 HE2 LYS 21 -8.088 31.695 19.016 887 HE3 LYS 21 HE3 LYS 21 -9.835 31.460 19.003 888 HZ1 LYS 21 HZ1 LYS 21 -8.094 29.161 19.543 889 HZ2 LYS 21 HZ2 LYS 21 -9.673 29.470 20.087 890 HZ3 LYS 21 HZ3 LYS 21 -8.358 30.291 20.780 891 H ALA 22 H ALA 22 -13.062 28.590 14.113 892 HA ALA 22 HA ALA 22 -14.594 29.858 16.217 893 HB1 ALA 22 HB1 ALA 22 -16.098 30.509 14.491 894 HB2 ALA 22 HB2 ALA 22 -15.504 29.256 13.401 895 HB3 ALA 22 HB3 ALA 22 -14.480 30.636 13.800 896 H LEU 23 H LEU 23 -14.189 26.682 15.315 897 HA LEU 23 HA LEU 23 -16.621 25.876 16.708 898 HB2 LEU 23 HB2 LEU 23 -17.113 24.205 14.821 899 HB3 LEU 23 HB3 LEU 23 -17.588 25.878 14.579 900 HG LEU 23 HG LEU 23 -15.356 26.192 13.344 901 HD11 LEU 23 HD11 LEU 23 -14.539 24.010 12.308 902 HD12 LEU 23 HD12 LEU 23 -15.436 23.173 13.571 903 HD13 LEU 23 HD13 LEU 23 -14.109 24.254 13.995 904 HD21 LEU 23 HD21 LEU 23 -17.403 24.273 12.206 905 HD22 LEU 23 HD22 LEU 23 -16.271 25.249 11.271 906 HD23 LEU 23 HD23 LEU 23 -17.539 26.032 12.215 907 H GLY 24 H GLY 24 -14.187 25.658 17.756 908 HA2 GLY 24 HA2 GLY 24 -12.895 23.166 17.123 909 HA3 GLY 24 HA3 GLY 24 -12.545 24.205 18.499 910 H ASP 25 H ASP 25 -14.177 24.162 20.288 911 HA ASP 25 HA ASP 25 -14.429 21.732 21.468 912 HB2 ASP 25 HB2 ASP 25 -16.462 23.963 21.694 913 HB3 ASP 25 HB3 ASP 25 -16.189 22.679 22.870 914 H TYR 26 H TYR 26 -15.961 20.106 21.639 915 HA TYR 26 HA TYR 26 -17.471 19.592 19.242 916 HB2 TYR 26 HB2 TYR 26 -18.098 17.482 20.518 917 HB3 TYR 26 HB3 TYR 26 -16.375 17.721 20.228 918 HD1 TYR 26 HD1 TYR 26 -14.870 18.426 22.042 919 HD2 TYR 26 HD2 TYR 26 -19.041 17.687 22.752 920 HE1 TYR 26 HE1 TYR 26 -14.445 18.372 24.485 921 HE2 TYR 26 HE2 TYR 26 -18.616 17.633 25.195 922 HH TYR 26 HH TYR 26 -15.469 18.475 26.530 923 H ASN 27 H ASN 27 -18.140 20.812 22.421 924 HA ASN 27 HA ASN 27 -20.818 20.128 22.737 925 HB2 ASN 27 HB2 ASN 27 -19.553 22.740 23.584 926 HB3 ASN 27 HB3 ASN 27 -20.952 21.952 24.310 927 HD21 ASN 27 HD21 ASN 27 -20.569 20.097 25.695 928 HD22 ASN 27 HD22 ASN 27 -19.009 19.668 26.206 929 H ARG 28 H ARG 28 -19.413 22.921 21.042 930 HA ARG 28 HA ARG 28 -21.922 24.145 20.461 931 HB2 ARG 28 HB2 ARG 28 -19.187 24.464 19.208 932 HB3 ARG 28 HB3 ARG 28 -20.579 25.466 18.805 933 HG2 ARG 28 HG2 ARG 28 -20.769 26.021 21.271 934 HG3 ARG 28 HG3 ARG 28 -19.223 25.206 21.501 935 HD2 ARG 28 HD2 ARG 28 -19.639 27.482 19.548 936 HD3 ARG 28 HD3 ARG 28 -19.057 27.710 21.193 937 HE ARG 28 HE ARG 28 -17.564 26.604 18.966 938 HH11 ARG 28 HH21 ARG 28 -17.908 26.926 22.394 939 HH12 ARG 28 HH22 ARG 28 -16.251 26.550 22.735 940 HH21 ARG 28 HH11 ARG 28 -15.392 26.102 19.405 941 HH22 ARG 28 HH12 ARG 28 -14.827 26.083 21.043 942 H ILE 29 H ILE 29 -20.098 21.586 19.009 943 HA ILE 29 HA ILE 29 -21.241 21.744 16.394 944 HB ILE 29 HB ILE 29 -20.046 19.352 17.810 945 HG12 ILE 29 HG12 ILE 29 -18.456 21.182 17.840 946 HG13 ILE 29 HG13 ILE 29 -17.951 20.010 16.627 947 HG21 ILE 29 HG21 ILE 29 -20.616 19.988 14.914 948 HG22 ILE 29 HG22 ILE 29 -21.209 18.623 15.861 949 HG23 ILE 29 HG23 ILE 29 -19.506 18.709 15.409 950 HD11 ILE 29 HD11 ILE 29 -19.318 21.541 14.978 951 HD12 ILE 29 HD12 ILE 29 -17.706 22.033 15.488 952 HD13 ILE 29 HD13 ILE 29 -19.126 22.748 16.247 953 H ARG 30 H ARG 30 -22.228 20.231 19.413 954 HA ARG 30 HA ARG 30 -24.185 18.492 18.301 955 HB2 ARG 30 HB2 ARG 30 -23.847 19.713 21.045 956 HB3 ARG 30 HB3 ARG 30 -25.138 18.576 20.652 957 HG2 ARG 30 HG2 ARG 30 -23.567 16.846 20.111 958 HG3 ARG 30 HG3 ARG 30 -22.212 17.975 20.159 959 HD2 ARG 30 HD2 ARG 30 -22.205 16.718 22.225 960 HD3 ARG 30 HD3 ARG 30 -22.715 18.364 22.593 961 HE ARG 30 HE ARG 30 -24.789 17.524 23.207 962 HH11 ARG 30 HH21 ARG 30 -23.024 15.226 21.317 963 HH12 ARG 30 HH22 ARG 30 -24.158 13.940 21.568 964 HH21 ARG 30 HH11 ARG 30 -26.275 15.838 23.554 965 HH22 ARG 30 HH12 ARG 30 -25.996 14.284 22.838 966 H ILE 31 H ILE 31 -24.140 21.879 19.163 967 HA ILE 31 HA ILE 31 -26.983 22.253 19.113 968 HB ILE 31 HB ILE 31 -24.780 24.297 18.741 969 HG12 ILE 31 HG12 ILE 31 -26.241 23.493 21.273 970 HG13 ILE 31 HG13 ILE 31 -24.629 22.917 20.849 971 HG21 ILE 31 HG21 ILE 31 -27.697 24.516 19.544 972 HG22 ILE 31 HG22 ILE 31 -26.968 25.134 18.062 973 HG23 ILE 31 HG23 ILE 31 -26.540 25.846 19.618 974 HD11 ILE 31 HD11 ILE 31 -23.926 25.348 20.656 975 HD12 ILE 31 HD12 ILE 31 -24.328 24.819 22.290 976 HD13 ILE 31 HD13 ILE 31 -25.485 25.777 21.363 977 H MET 32 H MET 32 -24.354 22.733 16.784 978 HA MET 32 HA MET 32 -25.827 23.933 14.728 979 HB2 MET 32 HB2 MET 32 -23.301 23.626 14.878 980 HB3 MET 32 HB3 MET 32 -23.561 21.982 14.296 981 HG2 MET 32 HG2 MET 32 -23.125 23.281 12.344 982 HG3 MET 32 HG3 MET 32 -24.871 23.031 12.362 983 HE1 MET 32 HE1 MET 32 -22.885 25.167 10.959 984 HE2 MET 32 HE2 MET 32 -23.789 26.679 10.998 985 HE3 MET 32 HE3 MET 32 -24.593 25.187 10.514 986 H GLU 33 H GLU 33 -25.363 20.528 15.556 987 HA GLU 33 HA GLU 33 -26.568 19.417 13.254 988 HB2 GLU 33 HB2 GLU 33 -25.193 18.198 15.007 989 HB3 GLU 33 HB3 GLU 33 -26.632 18.215 16.027 990 HG2 GLU 33 HG2 GLU 33 -27.864 17.159 14.044 991 HG3 GLU 33 HG3 GLU 33 -26.274 16.885 13.335 992 H LEU 34 H LEU 34 -27.878 20.701 16.244 993 HA LEU 34 HA LEU 34 -30.495 19.662 15.990 994 HB2 LEU 34 HB2 LEU 34 -29.253 20.884 17.980 995 HB3 LEU 34 HB3 LEU 34 -29.957 22.328 17.279 996 HG LEU 34 HG LEU 34 -31.467 21.546 18.958 997 HD11 LEU 34 HD11 LEU 34 -32.667 20.572 16.369 998 HD12 LEU 34 HD12 LEU 34 -32.372 22.282 16.688 999 HD13 LEU 34 HD13 LEU 34 -33.476 21.369 17.715 1000 HD21 LEU 34 HD21 LEU 34 -31.911 18.878 17.652 1001 HD22 LEU 34 HD22 LEU 34 -32.139 19.372 19.324 1002 HD23 LEU 34 HD23 LEU 34 -30.518 19.079 18.712 1003 H LEU 35 H LEU 35 -29.193 22.883 15.182 1004 HA LEU 35 HA LEU 35 -31.388 24.108 14.119 1005 HB2 LEU 35 HB2 LEU 35 -28.712 24.204 12.726 1006 HB3 LEU 35 HB3 LEU 35 -29.926 25.476 12.834 1007 HG LEU 35 HG LEU 35 -28.209 24.391 15.082 1008 HD11 LEU 35 HD11 LEU 35 -27.528 26.810 15.194 1009 HD12 LEU 35 HD12 LEU 35 -28.456 27.086 13.720 1010 HD13 LEU 35 HD13 LEU 35 -27.062 26.006 13.694 1011 HD21 LEU 35 HD21 LEU 35 -30.635 26.195 15.111 1012 HD22 LEU 35 HD22 LEU 35 -29.425 26.255 16.391 1013 HD23 LEU 35 HD23 LEU 35 -30.324 24.769 16.099 1014 H SER 36 H SER 36 -29.060 22.339 12.049 1015 HA SER 36 HA SER 36 -30.376 22.331 9.691 1016 HB2 SER 36 HB2 SER 36 -29.117 20.450 9.072 1017 HB3 SER 36 HB3 SER 36 -28.165 21.167 10.371 1018 HG SER 36 HG SER 36 -28.326 19.208 11.145 1019 H VAL 37 H VAL 37 -30.846 19.780 12.155 1020 HA VAL 37 HA VAL 37 -32.817 18.323 10.900 1021 HB VAL 37 HB VAL 37 -32.566 18.961 13.850 1022 HG11 VAL 37 HG11 VAL 37 -34.213 16.927 12.333 1023 HG12 VAL 37 HG12 VAL 37 -34.773 18.109 13.516 1024 HG13 VAL 37 HG13 VAL 37 -33.805 16.730 14.036 1025 HG21 VAL 37 HG21 VAL 37 -31.692 16.504 12.312 1026 HG22 VAL 37 HG22 VAL 37 -31.295 16.929 13.978 1027 HG23 VAL 37 HG23 VAL 37 -30.614 17.859 12.642 1028 H SER 38 H SER 38 -33.183 21.277 12.825 1029 HA SER 38 HA SER 38 -35.534 22.058 11.406 1030 HB2 SER 38 HB2 SER 38 -36.683 20.429 12.737 1031 HB3 SER 38 HB3 SER 38 -35.853 20.953 14.201 1032 HG SER 38 HG SER 38 -37.123 22.646 14.343 1033 H GLU 39 H GLU 39 -36.377 24.123 12.159 1034 HA GLU 39 HA GLU 39 -34.270 25.814 13.209 1035 HB2 GLU 39 HB2 GLU 39 -37.115 26.449 12.381 1036 HB3 GLU 39 HB3 GLU 39 -35.885 27.642 12.796 1037 HG2 GLU 39 HG2 GLU 39 -35.882 27.463 10.404 1038 HG3 GLU 39 HG3 GLU 39 -34.440 26.623 10.973 1039 H ALA 40 H ALA 40 -34.345 27.001 15.131 1040 HA ALA 40 HA ALA 40 -36.561 26.674 16.981 1041 HB1 ALA 40 HB1 ALA 40 -35.161 24.578 17.216 1042 HB2 ALA 40 HB2 ALA 40 -35.353 25.519 18.695 1043 HB3 ALA 40 HB3 ALA 40 -33.847 25.610 17.781 1044 H SER 41 H SER 41 -36.561 28.195 18.612 1045 HA SER 41 HA SER 41 -34.793 30.467 18.238 1046 HB2 SER 41 HB2 SER 41 -37.273 30.639 18.754 1047 HB3 SER 41 HB3 SER 41 -36.887 30.091 20.384 1048 HG SER 41 HG SER 41 -35.263 32.096 19.475 1049 H VAL 42 H VAL 42 -33.918 31.507 20.334 1050 HA VAL 42 HA VAL 42 -31.892 29.924 21.356 1051 HB VAL 42 HB VAL 42 -32.030 32.427 21.459 1052 HG11 VAL 42 HG11 VAL 42 -33.256 33.515 23.172 1053 HG12 VAL 42 HG12 VAL 42 -33.585 32.002 24.014 1054 HG13 VAL 42 HG13 VAL 42 -34.387 32.352 22.482 1055 HG21 VAL 42 HG21 VAL 42 -30.900 32.556 23.705 1056 HG22 VAL 42 HG22 VAL 42 -30.271 31.285 22.657 1057 HG23 VAL 42 HG23 VAL 42 -31.369 30.878 23.976 1058 H GLY 43 H GLY 43 -35.004 30.718 22.924 1059 HA2 GLY 43 HA2 GLY 43 -34.570 29.256 25.267 1060 HA3 GLY 43 HA3 GLY 43 -36.148 29.692 24.625 1061 H HIS 44 H HIS 44 -36.399 28.270 22.343 1062 HA HIS 44 HA HIS 44 -37.195 25.762 23.183 1063 HB2 HIS 44 HB2 HIS 44 -36.395 26.710 20.425 1064 HB3 HIS 44 HB3 HIS 44 -37.184 25.165 20.740 1065 HD1 HIS 44 HD1 HIS 44 -38.225 28.097 19.405 1066 HD2 HIS 44 HD2 HIS 44 -39.498 26.133 22.855 1067 HE1 HIS 44 HE1 HIS 44 -40.550 28.961 19.902 1068 HE2 HIS 44 HE2 HIS 44 -41.342 27.778 22.004 1069 H ILE 45 H ILE 45 -34.038 26.812 22.121 1070 HA ILE 45 HA ILE 45 -32.984 24.181 21.683 1071 HB ILE 45 HB ILE 45 -31.649 26.864 22.089 1072 HG12 ILE 45 HG12 ILE 45 -31.839 25.130 19.615 1073 HG13 ILE 45 HG13 ILE 45 -33.043 26.358 20.002 1074 HG21 ILE 45 HG21 ILE 45 -30.039 25.234 22.799 1075 HG22 ILE 45 HG22 ILE 45 -29.630 25.632 21.132 1076 HG23 ILE 45 HG23 ILE 45 -30.483 24.132 21.496 1077 HD11 ILE 45 HD11 ILE 45 -31.370 27.321 18.509 1078 HD12 ILE 45 HD12 ILE 45 -30.073 26.813 19.590 1079 HD13 ILE 45 HD13 ILE 45 -31.212 28.057 20.103 1080 H SER 46 H SER 46 -33.450 26.211 24.469 1081 HA SER 46 HA SER 46 -31.520 25.272 26.218 1082 HB2 SER 46 HB2 SER 46 -32.861 26.112 27.953 1083 HB3 SER 46 HB3 SER 46 -33.355 27.069 26.556 1084 HG SER 46 HG SER 46 -34.921 25.716 28.067 1085 H HIS 47 H HIS 47 -34.287 23.633 24.925 1086 HA HIS 47 HA HIS 47 -34.557 21.624 26.921 1087 HB2 HIS 47 HB2 HIS 47 -36.331 22.049 25.295 1088 HB3 HIS 47 HB3 HIS 47 -35.264 21.570 23.975 1089 HD1 HIS 47 HD1 HIS 47 -36.551 20.045 27.236 1090 HD2 HIS 47 HD2 HIS 47 -35.507 18.890 23.369 1091 HE1 HIS 47 HE1 HIS 47 -37.008 17.560 27.084 1092 HE2 HIS 47 HE2 HIS 47 -36.374 16.838 24.735 1093 H GLN 48 H GLN 48 -32.136 22.270 24.686 1094 HA GLN 48 HA GLN 48 -31.244 19.494 24.368 1095 HB2 GLN 48 HB2 GLN 48 -31.108 21.238 22.520 1096 HB3 GLN 48 HB3 GLN 48 -29.824 21.999 23.458 1097 HG2 GLN 48 HG2 GLN 48 -28.571 19.854 23.440 1098 HG3 GLN 48 HG3 GLN 48 -29.838 19.142 22.443 1099 HE21 GLN 48 HE21 GLN 48 -29.642 22.338 21.503 1100 HE22 GLN 48 HE22 GLN 48 -28.553 22.173 20.212 1101 H LEU 49 H LEU 49 -29.860 22.554 25.590 1102 HA LEU 49 HA LEU 49 -27.741 21.168 26.980 1103 HB2 LEU 49 HB2 LEU 49 -28.636 24.044 26.806 1104 HB3 LEU 49 HB3 LEU 49 -27.384 23.549 27.942 1105 HG LEU 49 HG LEU 49 -26.072 22.600 26.071 1106 HD11 LEU 49 HD11 LEU 49 -28.437 23.593 24.477 1107 HD12 LEU 49 HD12 LEU 49 -27.694 21.993 24.454 1108 HD13 LEU 49 HD13 LEU 49 -26.857 23.363 23.731 1109 HD21 LEU 49 HD21 LEU 49 -26.949 25.490 25.854 1110 HD22 LEU 49 HD22 LEU 49 -25.597 24.827 24.936 1111 HD23 LEU 49 HD23 LEU 49 -25.538 24.853 26.699 1112 H ASN 50 H ASN 50 -30.930 22.335 27.707 1113 HA ASN 50 HA ASN 50 -32.225 22.254 29.601 1114 HB2 ASN 50 HB2 ASN 50 -30.258 20.108 30.432 1115 HB3 ASN 50 HB3 ASN 50 -31.876 20.355 31.087 1116 HD21 ASN 50 HD21 ASN 50 -30.377 19.973 27.814 1117 HD22 ASN 50 HD22 ASN 50 -31.586 18.932 27.233 1118 H LEU 51 H LEU 51 -29.869 24.036 29.497 1119 HA LEU 51 HA LEU 51 -29.363 24.384 32.406 1120 HB2 LEU 51 HB2 LEU 51 -27.410 23.861 30.752 1121 HB3 LEU 51 HB3 LEU 51 -27.629 25.519 30.219 1122 HG LEU 51 HG LEU 51 -27.527 26.048 32.829 1123 HD11 LEU 51 HD11 LEU 51 -25.942 24.513 33.977 1124 HD12 LEU 51 HD12 LEU 51 -26.047 23.412 32.605 1125 HD13 LEU 51 HD13 LEU 51 -27.471 23.724 33.595 1126 HD21 LEU 51 HD21 LEU 51 -25.894 26.919 31.269 1127 HD22 LEU 51 HD22 LEU 51 -25.123 25.340 31.127 1128 HD23 LEU 51 HD23 LEU 51 -25.031 26.232 32.644 1129 H SER 52 H SER 52 -28.097 27.013 31.422 1130 HA SER 52 HA SER 52 -30.501 28.615 31.785 1131 HB2 SER 52 HB2 SER 52 -28.618 29.340 33.047 1132 HB3 SER 52 HB3 SER 52 -27.555 29.257 31.643 1133 HG SER 52 HG SER 52 -29.393 30.830 30.854 1134 H GLN 53 H GLN 53 -31.140 30.302 30.361 1135 HA GLN 53 HA GLN 53 -30.844 29.605 27.564 1136 HB2 GLN 53 HB2 GLN 53 -32.506 31.360 27.187 1137 HB3 GLN 53 HB3 GLN 53 -33.028 30.290 28.486 1138 HG2 GLN 53 HG2 GLN 53 -31.934 31.977 30.089 1139 HG3 GLN 53 HG3 GLN 53 -31.875 33.074 28.711 1140 HE21 GLN 53 HE21 GLN 53 -33.425 34.237 30.421 1141 HE22 GLN 53 HE22 GLN 53 -35.080 33.920 30.216 1142 H SER 54 H SER 54 -29.992 32.350 29.653 1143 HA SER 54 HA SER 54 -29.012 34.085 27.703 1144 HB2 SER 54 HB2 SER 54 -29.364 34.677 30.095 1145 HB3 SER 54 HB3 SER 54 -27.940 33.726 30.511 1146 HG SER 54 HG SER 54 -26.877 35.119 28.848 1147 H ASN 55 H ASN 55 -27.546 31.271 29.176 1148 HA ASN 55 HA ASN 55 -24.858 31.705 28.528 1149 HB2 ASN 55 HB2 ASN 55 -26.477 29.163 28.745 1150 HB3 ASN 55 HB3 ASN 55 -24.733 29.168 28.485 1151 HD21 ASN 55 HD21 ASN 55 -24.375 28.205 30.634 1152 HD22 ASN 55 HD22 ASN 55 -24.563 29.135 32.042 1153 H VAL 56 H VAL 56 -27.509 30.391 26.595 1154 HA VAL 56 HA VAL 56 -25.818 29.768 24.340 1155 HB VAL 56 HB VAL 56 -28.826 30.042 24.317 1156 HG11 VAL 56 HG11 VAL 56 -26.922 28.224 22.808 1157 HG12 VAL 56 HG12 VAL 56 -27.601 29.717 22.160 1158 HG13 VAL 56 HG13 VAL 56 -28.661 28.364 22.553 1159 HG21 VAL 56 HG21 VAL 56 -27.079 27.803 25.361 1160 HG22 VAL 56 HG22 VAL 56 -28.750 27.545 24.859 1161 HG23 VAL 56 HG23 VAL 56 -28.390 28.633 26.200 1162 H SER 57 H SER 57 -27.803 32.456 25.388 1163 HA SER 57 HA SER 57 -28.036 33.814 22.925 1164 HB2 SER 57 HB2 SER 57 -29.282 34.319 25.078 1165 HB3 SER 57 HB3 SER 57 -27.817 35.118 25.644 1166 HG SER 57 HG SER 57 -29.394 36.489 24.558 1167 H HIS 58 H HIS 58 -25.613 34.035 25.515 1168 HA HIS 58 HA HIS 58 -24.049 36.062 24.285 1169 HB2 HIS 58 HB2 HIS 58 -23.347 33.959 26.346 1170 HB3 HIS 58 HB3 HIS 58 -22.259 35.258 25.857 1171 HD1 HIS 58 HD1 HIS 58 -22.548 35.985 28.470 1172 HD2 HIS 58 HD2 HIS 58 -25.896 36.479 26.034 1173 HE1 HIS 58 HE1 HIS 58 -24.100 37.564 29.699 1174 HE2 HIS 58 HE2 HIS 58 -26.145 37.879 28.227 1175 H GLN 59 H GLN 59 -23.330 32.579 24.651 1176 HA GLN 59 HA GLN 59 -21.126 32.426 23.010 1177 HB2 GLN 59 HB2 GLN 59 -22.153 30.578 24.412 1178 HB3 GLN 59 HB3 GLN 59 -23.275 30.305 23.080 1179 HG2 GLN 59 HG2 GLN 59 -21.456 28.791 22.728 1180 HG3 GLN 59 HG3 GLN 59 -21.231 30.099 21.570 1181 HE21 GLN 59 HE21 GLN 59 -20.386 29.656 25.061 1182 HE22 GLN 59 HE22 GLN 59 -18.771 30.144 24.872 1183 H LEU 60 H LEU 60 -24.521 31.903 22.000 1184 HA LEU 60 HA LEU 60 -24.117 31.392 19.331 1185 HB2 LEU 60 HB2 LEU 60 -26.309 31.259 20.421 1186 HB3 LEU 60 HB3 LEU 60 -26.346 33.011 20.590 1187 HG LEU 60 HG LEU 60 -26.351 33.271 18.148 1188 HD11 LEU 60 HD11 LEU 60 -25.152 31.470 17.248 1189 HD12 LEU 60 HD12 LEU 60 -26.808 31.037 16.850 1190 HD13 LEU 60 HD13 LEU 60 -26.008 30.277 18.225 1191 HD21 LEU 60 HD21 LEU 60 -28.589 32.256 17.728 1192 HD22 LEU 60 HD22 LEU 60 -28.496 33.077 19.286 1193 HD23 LEU 60 HD23 LEU 60 -28.410 31.317 19.211 1194 H LYS 61 H LYS 61 -23.885 34.449 21.014 1195 HA LYS 61 HA LYS 61 -24.044 36.142 18.741 1196 HB2 LYS 61 HB2 LYS 61 -24.269 36.789 21.206 1197 HB3 LYS 61 HB3 LYS 61 -22.507 36.761 21.264 1198 HG2 LYS 61 HG2 LYS 61 -22.549 38.339 19.259 1199 HG3 LYS 61 HG3 LYS 61 -24.276 38.527 19.560 1200 HD2 LYS 61 HD2 LYS 61 -22.081 39.080 21.580 1201 HD3 LYS 61 HD3 LYS 61 -22.947 40.311 20.664 1202 HE2 LYS 61 HE2 LYS 61 -24.120 40.264 22.696 1203 HE3 LYS 61 HE3 LYS 61 -25.094 39.205 21.678 1204 HZ1 LYS 61 HZ1 LYS 61 -23.640 38.594 24.044 1205 HZ2 LYS 61 HZ2 LYS 61 -23.153 37.592 22.762 1206 HZ3 LYS 61 HZ3 LYS 61 -24.789 37.656 23.216 1207 H LEU 62 H LEU 62 -21.414 34.368 20.244 1208 HA LEU 62 HA LEU 62 -19.294 35.707 18.881 1209 HB2 LEU 62 HB2 LEU 62 -19.530 33.047 20.285 1210 HB3 LEU 62 HB3 LEU 62 -18.051 33.503 19.443 1211 HG LEU 62 HG LEU 62 -17.916 35.563 20.807 1212 HD11 LEU 62 HD11 LEU 62 -20.166 36.055 21.368 1213 HD12 LEU 62 HD12 LEU 62 -19.441 35.553 22.893 1214 HD13 LEU 62 HD13 LEU 62 -20.455 34.429 21.988 1215 HD21 LEU 62 HD21 LEU 62 -18.246 33.066 22.498 1216 HD22 LEU 62 HD22 LEU 62 -17.249 34.470 22.879 1217 HD23 LEU 62 HD23 LEU 62 -16.821 33.428 21.522 1218 H LEU 63 H LEU 63 -21.130 32.732 18.225 1219 HA LEU 63 HA LEU 63 -19.743 31.885 15.953 1220 HB2 LEU 63 HB2 LEU 63 -22.616 31.584 16.823 1221 HB3 LEU 63 HB3 LEU 63 -22.053 30.903 15.298 1222 HG LEU 63 HG LEU 63 -20.276 29.676 16.541 1223 HD11 LEU 63 HD11 LEU 63 -20.727 29.506 19.079 1224 HD12 LEU 63 HD12 LEU 63 -21.651 30.994 18.886 1225 HD13 LEU 63 HD13 LEU 63 -19.930 30.966 18.500 1226 HD21 LEU 63 HD21 LEU 63 -23.146 29.238 17.416 1227 HD22 LEU 63 HD22 LEU 63 -21.852 28.064 17.655 1228 HD23 LEU 63 HD23 LEU 63 -22.342 28.516 16.022 1229 H LYS 64 H LYS 64 -21.911 34.546 16.400 1230 HA LYS 64 HA LYS 64 -22.619 34.911 13.652 1231 HB2 LYS 64 HB2 LYS 64 -23.842 35.856 15.675 1232 HB3 LYS 64 HB3 LYS 64 -22.546 37.048 15.787 1233 HG2 LYS 64 HG2 LYS 64 -23.026 37.846 13.537 1234 HG3 LYS 64 HG3 LYS 64 -24.233 36.579 13.309 1235 HD2 LYS 64 HD2 LYS 64 -25.556 37.519 15.179 1236 HD3 LYS 64 HD3 LYS 64 -24.361 38.800 15.373 1237 HE2 LYS 64 HE2 LYS 64 -24.799 39.553 13.058 1238 HE3 LYS 64 HE3 LYS 64 -26.003 38.277 12.875 1239 HZ1 LYS 64 HZ1 LYS 64 -27.203 40.176 13.464 1240 HZ2 LYS 64 HZ2 LYS 64 -26.086 40.632 14.660 1241 HZ3 LYS 64 HZ3 LYS 64 -27.094 39.286 14.906 1242 H SER 65 H SER 65 -19.872 35.711 15.599 1243 HA SER 65 HA SER 65 -18.762 37.908 14.382 1244 HB2 SER 65 HB2 SER 65 -17.702 36.776 16.272 1245 HB3 SER 65 HB3 SER 65 -17.340 35.380 15.257 1246 HG SER 65 HG SER 65 -15.609 36.963 15.528 1247 H VAL 66 H VAL 66 -18.061 34.540 13.403 1248 HA VAL 66 HA VAL 66 -16.949 35.420 10.882 1249 HB VAL 66 HB VAL 66 -16.526 33.071 10.476 1250 HG11 VAL 66 HG11 VAL 66 -15.188 32.552 12.460 1251 HG12 VAL 66 HG12 VAL 66 -16.110 33.717 13.411 1252 HG13 VAL 66 HG13 VAL 66 -15.070 34.275 12.100 1253 HG21 VAL 66 HG21 VAL 66 -18.427 32.691 12.799 1254 HG22 VAL 66 HG22 VAL 66 -17.330 31.420 12.259 1255 HG23 VAL 66 HG23 VAL 66 -18.568 32.041 11.167 1256 H HIS 67 H HIS 67 -20.009 35.256 11.935 1257 HA HIS 67 HA HIS 67 -22.047 35.278 10.896 1258 HB2 HIS 67 HB2 HIS 67 -20.616 35.151 8.247 1259 HB3 HIS 67 HB3 HIS 67 -22.155 35.919 8.632 1260 HD1 HIS 67 HD1 HIS 67 -21.188 37.393 11.239 1261 HD2 HIS 67 HD2 HIS 67 -19.213 37.496 7.570 1262 HE1 HIS 67 HE1 HIS 67 -19.790 39.502 11.239 1263 HE2 HIS 67 HE2 HIS 67 -18.581 39.583 9.008 1264 H LEU 68 H LEU 68 -20.634 32.705 11.505 1265 HA LEU 68 HA LEU 68 -20.940 30.744 9.622 1266 HB2 LEU 68 HB2 LEU 68 -20.162 30.587 12.085 1267 HB3 LEU 68 HB3 LEU 68 -21.860 30.351 12.467 1268 HG LEU 68 HG LEU 68 -21.749 28.489 10.604 1269 HD11 LEU 68 HD11 LEU 68 -18.832 28.810 11.374 1270 HD12 LEU 68 HD12 LEU 68 -19.517 28.913 9.753 1271 HD13 LEU 68 HD13 LEU 68 -19.496 27.373 10.604 1272 HD21 LEU 68 HD21 LEU 68 -22.191 27.924 12.901 1273 HD22 LEU 68 HD22 LEU 68 -20.514 28.225 13.355 1274 HD23 LEU 68 HD23 LEU 68 -20.917 26.846 12.331 1275 H VAL 69 H VAL 69 -23.385 32.713 10.939 1276 HA VAL 69 HA VAL 69 -25.446 31.252 9.456 1277 HB VAL 69 HB VAL 69 -26.976 31.224 11.380 1278 HG11 VAL 69 HG11 VAL 69 -26.016 29.334 12.490 1279 HG12 VAL 69 HG12 VAL 69 -24.376 29.887 12.156 1280 HG13 VAL 69 HG13 VAL 69 -25.393 29.298 10.841 1281 HG21 VAL 69 HG21 VAL 69 -24.543 32.259 12.864 1282 HG22 VAL 69 HG22 VAL 69 -25.985 31.626 13.658 1283 HG23 VAL 69 HG23 VAL 69 -26.090 33.081 12.667 1284 H LYS 70 H LYS 70 -27.646 32.541 10.014 1285 HA LYS 70 HA LYS 70 -27.209 35.428 10.170 1286 HB2 LYS 70 HB2 LYS 70 -26.834 34.964 7.795 1287 HB3 LYS 70 HB3 LYS 70 -28.359 34.081 7.714 1288 HG2 LYS 70 HG2 LYS 70 -29.644 36.047 8.061 1289 HG3 LYS 70 HG3 LYS 70 -28.247 36.959 8.629 1290 HD2 LYS 70 HD2 LYS 70 -28.793 37.638 6.347 1291 HD3 LYS 70 HD3 LYS 70 -27.245 36.798 6.362 1292 HE2 LYS 70 HE2 LYS 70 -28.849 36.113 4.506 1293 HE3 LYS 70 HE3 LYS 70 -28.223 34.792 5.490 1294 HZ1 LYS 70 HZ1 LYS 70 -30.797 35.127 4.991 1295 HZ2 LYS 70 HZ2 LYS 70 -30.680 36.053 6.410 1296 HZ3 LYS 70 HZ3 LYS 70 -30.227 34.415 6.423 1297 H ALA 71 H ALA 71 -28.701 36.063 11.569 1298 HA ALA 71 HA ALA 71 -31.303 34.666 11.720 1299 HB1 ALA 71 HB1 ALA 71 -29.768 34.981 13.753 1300 HB2 ALA 71 HB2 ALA 71 -31.456 35.453 13.940 1301 HB3 ALA 71 HB3 ALA 71 -30.220 36.684 13.682 1302 H LYS 72 H LYS 72 -33.231 35.775 11.611 1303 HA LYS 72 HA LYS 72 -33.134 38.603 10.688 1304 HB2 LYS 72 HB2 LYS 72 -34.919 36.334 9.781 1305 HB3 LYS 72 HB3 LYS 72 -35.187 38.028 9.373 1306 HG2 LYS 72 HG2 LYS 72 -32.933 38.118 8.339 1307 HG3 LYS 72 HG3 LYS 72 -32.711 36.407 8.704 1308 HD2 LYS 72 HD2 LYS 72 -34.756 35.903 7.349 1309 HD3 LYS 72 HD3 LYS 72 -34.834 37.608 6.902 1310 HE2 LYS 72 HE2 LYS 72 -32.661 35.611 6.237 1311 HE3 LYS 72 HE3 LYS 72 -33.673 36.522 5.117 1312 HZ1 LYS 72 HZ1 LYS 72 -31.364 37.407 6.683 1313 HZ2 LYS 72 HZ2 LYS 72 -32.601 38.533 6.387 1314 HZ3 LYS 72 HZ3 LYS 72 -31.801 37.789 5.087 1315 H ARG 73 H ARG 73 -35.136 39.797 11.122 1316 HA ARG 73 HA ARG 73 -36.191 39.136 13.794 1317 HB2 ARG 73 HB2 ARG 73 -36.960 41.469 13.809 1318 HB3 ARG 73 HB3 ARG 73 -35.231 41.370 13.476 1319 HG2 ARG 73 HG2 ARG 73 -35.775 41.495 11.019 1320 HG3 ARG 73 HG3 ARG 73 -37.455 41.803 11.463 1321 HD2 ARG 73 HD2 ARG 73 -36.653 43.757 12.835 1322 HD3 ARG 73 HD3 ARG 73 -35.044 43.497 12.167 1323 HE ARG 73 HE ARG 73 -36.767 43.690 9.994 1324 HH11 ARG 73 HH21 ARG 73 -35.764 45.606 12.694 1325 HH12 ARG 73 HH22 ARG 73 -35.991 47.119 11.882 1326 HH21 ARG 73 HH11 ARG 73 -37.066 45.672 8.920 1327 HH22 ARG 73 HH12 ARG 73 -36.727 47.156 9.747 1328 H GLN 74 H GLN 74 -38.304 38.755 14.191 1329 HA GLN 74 HA GLN 74 -40.321 39.171 12.102 1330 HB2 GLN 74 HB2 GLN 74 -39.491 36.904 11.651 1331 HB3 GLN 74 HB3 GLN 74 -39.771 36.458 13.334 1332 HG2 GLN 74 HG2 GLN 74 -42.139 36.725 13.105 1333 HG3 GLN 74 HG3 GLN 74 -41.965 37.519 11.542 1334 HE21 GLN 74 HE21 GLN 74 -41.305 34.362 13.149 1335 HE22 GLN 74 HE22 GLN 74 -41.544 33.436 11.747 1336 H GLY 75 H GLY 75 -41.617 40.476 13.250 1337 HA2 GLY 75 HA2 GLY 75 -43.226 41.069 14.794 1338 HA3 GLY 75 HA3 GLY 75 -43.185 39.410 15.383 1339 H GLN 76 H GLN 76 -41.797 38.855 17.068 1340 HA GLN 76 HA GLN 76 -40.136 40.931 18.315 1341 HB2 GLN 76 HB2 GLN 76 -41.245 40.438 20.535 1342 HB3 GLN 76 HB3 GLN 76 -42.227 41.359 19.397 1343 HG2 GLN 76 HG2 GLN 76 -43.411 39.327 18.726 1344 HG3 GLN 76 HG3 GLN 76 -42.383 38.354 19.777 1345 HE21 GLN 76 HE21 GLN 76 -43.172 41.456 21.079 1346 HE22 GLN 76 HE22 GLN 76 -44.385 40.937 22.148 1347 H SER 77 H SER 77 -40.113 38.069 17.075 1348 HA SER 77 HA SER 77 -38.488 36.793 19.216 1349 HB2 SER 77 HB2 SER 77 -40.301 35.563 17.133 1350 HB3 SER 77 HB3 SER 77 -39.121 34.639 18.061 1351 HG SER 77 HG SER 77 -40.267 35.869 19.903 1352 H MET 78 H MET 78 -36.433 36.404 18.724 1353 HA MET 78 HA MET 78 -35.441 37.036 16.050 1354 HB2 MET 78 HB2 MET 78 -33.868 36.110 18.460 1355 HB3 MET 78 HB3 MET 78 -33.262 36.961 17.038 1356 HG2 MET 78 HG2 MET 78 -34.751 38.894 17.645 1357 HG3 MET 78 HG3 MET 78 -35.156 38.052 19.141 1358 HE1 MET 78 HE1 MET 78 -33.009 40.468 17.409 1359 HE2 MET 78 HE2 MET 78 -32.090 39.050 16.901 1360 HE3 MET 78 HE3 MET 78 -31.352 40.241 17.973 1361 H ILE 79 H ILE 79 -36.051 35.352 14.709 1362 HA ILE 79 HA ILE 79 -35.676 32.595 15.492 1363 HB ILE 79 HB ILE 79 -37.538 33.370 14.020 1364 HG12 ILE 79 HG12 ILE 79 -35.707 31.467 12.545 1365 HG13 ILE 79 HG13 ILE 79 -36.561 31.003 14.017 1366 HG21 ILE 79 HG21 ILE 79 -36.028 35.016 12.780 1367 HG22 ILE 79 HG22 ILE 79 -37.116 34.062 11.772 1368 HG23 ILE 79 HG23 ILE 79 -35.410 33.628 11.885 1369 HD11 ILE 79 HD11 ILE 79 -37.756 30.440 11.837 1370 HD12 ILE 79 HD12 ILE 79 -37.967 32.177 11.607 1371 HD13 ILE 79 HD13 ILE 79 -38.698 31.375 12.997 1372 H TYR 80 H TYR 80 -34.216 31.135 14.614 1373 HA TYR 80 HA TYR 80 -31.901 32.255 13.120 1374 HB2 TYR 80 HB2 TYR 80 -31.884 30.262 15.399 1375 HB3 TYR 80 HB3 TYR 80 -30.481 30.699 14.425 1376 HD1 TYR 80 HD2 TYR 80 -32.952 31.931 16.889 1377 HD2 TYR 80 HD1 TYR 80 -29.368 32.824 14.697 1378 HE1 TYR 80 HE2 TYR 80 -32.552 33.899 18.345 1379 HE2 TYR 80 HE1 TYR 80 -28.965 34.789 16.155 1380 HH TYR 80 HH TYR 80 -30.141 36.268 17.613 1381 H SER 81 H SER 81 -31.107 31.032 11.490 1382 HA SER 81 HA SER 81 -31.864 28.249 11.157 1383 HB2 SER 81 HB2 SER 81 -32.767 30.334 9.153 1384 HB3 SER 81 HB3 SER 81 -32.925 28.588 8.970 1385 HG SER 81 HG SER 81 -34.830 29.598 9.787 1386 H LEU 82 H LEU 82 -31.134 27.710 8.676 1387 HA LEU 82 HA LEU 82 -28.299 28.057 8.710 1388 HB2 LEU 82 HB2 LEU 82 -29.921 27.067 6.366 1389 HB3 LEU 82 HB3 LEU 82 -28.266 26.647 6.802 1390 HG LEU 82 HG LEU 82 -30.777 25.914 8.334 1391 HD11 LEU 82 HD11 LEU 82 -28.724 24.230 6.868 1392 HD12 LEU 82 HD12 LEU 82 -30.350 24.589 6.288 1393 HD13 LEU 82 HD13 LEU 82 -30.127 23.614 7.741 1394 HD21 LEU 82 HD21 LEU 82 -27.838 25.599 8.973 1395 HD22 LEU 82 HD22 LEU 82 -29.058 24.541 9.681 1396 HD23 LEU 82 HD23 LEU 82 -29.112 26.274 9.990 1397 H ASP 83 H ASP 83 -27.094 28.803 6.738 1398 HA ASP 83 HA ASP 83 -27.883 31.509 6.124 1399 HB2 ASP 83 HB2 ASP 83 -25.531 29.800 5.298 1400 HB3 ASP 83 HB3 ASP 83 -25.758 31.455 4.738 1401 H ASP 84 H ASP 84 -27.145 28.651 4.118 1402 HA ASP 84 HA ASP 84 -29.317 29.312 2.289 1403 HB2 ASP 84 HB2 ASP 84 -26.432 29.322 1.372 1404 HB3 ASP 84 HB3 ASP 84 -27.839 29.404 0.314 1405 H ILE 85 H ILE 85 -26.341 27.507 1.675 1406 HA ILE 85 HA ILE 85 -27.598 24.941 2.165 1407 HB ILE 85 HB ILE 85 -27.159 24.183 -0.214 1408 HG12 ILE 85 HG12 ILE 85 -27.178 27.153 -0.798 1409 HG13 ILE 85 HG13 ILE 85 -25.698 26.197 -0.720 1410 HG21 ILE 85 HG21 ILE 85 -29.445 24.852 0.747 1411 HG22 ILE 85 HG22 ILE 85 -29.288 24.895 -1.007 1412 HG23 ILE 85 HG23 ILE 85 -29.220 26.393 -0.081 1413 HD11 ILE 85 HD11 ILE 85 -26.669 26.478 -3.048 1414 HD12 ILE 85 HD12 ILE 85 -28.028 25.488 -2.519 1415 HD13 ILE 85 HD13 ILE 85 -26.401 24.808 -2.549 1416 H HIS 86 H HIS 86 -24.896 26.901 1.158 1417 HA HIS 86 HA HIS 86 -22.926 24.954 0.812 1418 HB2 HIS 86 HB2 HIS 86 -22.690 27.751 1.947 1419 HB3 HIS 86 HB3 HIS 86 -21.325 26.757 1.438 1420 HD1 HIS 86 HD1 HIS 86 -23.599 29.238 0.169 1421 HD2 HIS 86 HD2 HIS 86 -21.701 25.902 -1.460 1422 HE1 HIS 86 HE1 HIS 86 -23.684 29.523 -2.344 1423 HE2 HIS 86 HE2 HIS 86 -22.534 27.497 -3.354 1424 H VAL 87 H VAL 87 -24.098 26.513 3.771 1425 HA VAL 87 HA VAL 87 -22.185 25.389 5.526 1426 HB VAL 87 HB VAL 87 -23.656 27.317 6.087 1427 HG11 VAL 87 HG11 VAL 87 -25.961 27.033 6.563 1428 HG12 VAL 87 HG12 VAL 87 -25.831 25.274 6.573 1429 HG13 VAL 87 HG13 VAL 87 -25.712 26.160 5.052 1430 HG21 VAL 87 HG21 VAL 87 -23.931 26.719 8.397 1431 HG22 VAL 87 HG22 VAL 87 -22.518 25.841 7.813 1432 HG23 VAL 87 HG23 VAL 87 -24.059 25.005 8.000 1433 H ALA 88 H ALA 88 -25.449 24.336 4.589 1434 HA ALA 88 HA ALA 88 -25.570 22.062 6.247 1435 HB1 ALA 88 HB1 ALA 88 -26.884 22.544 3.560 1436 HB2 ALA 88 HB2 ALA 88 -27.551 22.982 5.133 1437 HB3 ALA 88 HB3 ALA 88 -27.338 21.284 4.707 1438 H THR 89 H THR 89 -23.936 22.661 3.244 1439 HA THR 89 HA THR 89 -23.595 19.916 2.488 1440 HB THR 89 HB THR 89 -21.886 22.270 1.662 1441 HG1 THR 89 HG1 THR 89 -24.139 21.331 0.269 1442 HG21 THR 89 HG21 THR 89 -21.569 20.931 -0.371 1443 HG22 THR 89 HG22 THR 89 -22.634 19.680 0.270 1444 HG23 THR 89 HG23 THR 89 -21.083 20.002 1.048 1445 H MET 90 H MET 90 -21.355 22.347 3.846 1446 HA MET 90 HA MET 90 -19.127 20.753 4.191 1447 HB2 MET 90 HB2 MET 90 -19.190 23.193 4.614 1448 HB3 MET 90 HB3 MET 90 -20.107 22.898 6.091 1449 HG2 MET 90 HG2 MET 90 -18.288 21.738 7.107 1450 HG3 MET 90 HG3 MET 90 -17.422 21.606 5.577 1451 HE1 MET 90 HE1 MET 90 -15.818 22.343 7.760 1452 HE2 MET 90 HE2 MET 90 -15.047 23.903 7.467 1453 HE3 MET 90 HE3 MET 90 -15.138 22.709 6.171 1454 H LEU 91 H LEU 91 -21.670 21.361 6.625 1455 HA LEU 91 HA LEU 91 -20.783 19.743 8.657 1456 HB2 LEU 91 HB2 LEU 91 -22.726 21.111 8.975 1457 HB3 LEU 91 HB3 LEU 91 -23.600 20.276 7.696 1458 HG LEU 91 HG LEU 91 -23.755 18.262 9.009 1459 HD11 LEU 91 HD11 LEU 91 -21.642 18.096 10.078 1460 HD12 LEU 91 HD12 LEU 91 -22.782 18.337 11.400 1461 HD13 LEU 91 HD13 LEU 91 -21.803 19.686 10.824 1462 HD21 LEU 91 HD21 LEU 91 -24.274 20.650 10.805 1463 HD22 LEU 91 HD22 LEU 91 -25.042 19.067 10.929 1464 HD23 LEU 91 HD23 LEU 91 -25.356 20.093 9.529 1465 H LYS 92 H LYS 92 -23.103 18.715 6.138 1466 HA LYS 92 HA LYS 92 -23.105 15.992 6.801 1467 HB2 LYS 92 HB2 LYS 92 -24.757 17.112 5.308 1468 HB3 LYS 92 HB3 LYS 92 -23.516 17.204 4.058 1469 HG2 LYS 92 HG2 LYS 92 -23.311 14.751 4.065 1470 HG3 LYS 92 HG3 LYS 92 -24.523 14.645 5.343 1471 HD2 LYS 92 HD2 LYS 92 -26.217 15.595 3.888 1472 HD3 LYS 92 HD3 LYS 92 -25.021 15.902 2.628 1473 HE2 LYS 92 HE2 LYS 92 -26.299 13.856 2.130 1474 HE3 LYS 92 HE3 LYS 92 -24.606 13.471 2.439 1475 HZ1 LYS 92 HZ1 LYS 92 -26.766 13.315 4.470 1476 HZ2 LYS 92 HZ2 LYS 92 -25.151 12.830 4.668 1477 HZ3 LYS 92 HZ3 LYS 92 -26.167 11.986 3.600 1478 H GLN 93 H GLN 93 -21.457 17.504 4.022 1479 HA GLN 93 HA GLN 93 -20.046 15.458 3.006 1480 HB2 GLN 93 HB2 GLN 93 -19.981 17.938 2.355 1481 HB3 GLN 93 HB3 GLN 93 -18.673 18.094 3.526 1482 HG2 GLN 93 HG2 GLN 93 -17.580 17.674 1.464 1483 HG3 GLN 93 HG3 GLN 93 -17.566 16.121 2.297 1484 HE21 GLN 93 HE21 GLN 93 -19.333 17.970 -0.219 1485 HE22 GLN 93 HE22 GLN 93 -19.935 16.600 -1.019 1486 H ALA 94 H ALA 94 -19.229 17.155 6.000 1487 HA ALA 94 HA ALA 94 -16.679 15.994 6.382 1488 HB1 ALA 94 HB1 ALA 94 -17.376 17.963 7.635 1489 HB2 ALA 94 HB2 ALA 94 -16.991 16.658 8.757 1490 HB3 ALA 94 HB3 ALA 94 -18.675 17.049 8.403 1491 H ILE 95 H ILE 95 -19.623 15.257 8.264 1492 HA ILE 95 HA ILE 95 -18.700 12.839 9.324 1493 HB ILE 95 HB ILE 95 -20.657 13.950 10.238 1494 HG12 ILE 95 HG12 ILE 95 -21.615 11.356 9.011 1495 HG13 ILE 95 HG13 ILE 95 -20.412 11.398 10.300 1496 HG21 ILE 95 HG21 ILE 95 -21.956 13.270 7.582 1497 HG22 ILE 95 HG22 ILE 95 -21.534 14.887 8.146 1498 HG23 ILE 95 HG23 ILE 95 -22.788 13.963 8.973 1499 HD11 ILE 95 HD11 ILE 95 -22.644 11.106 11.265 1500 HD12 ILE 95 HD12 ILE 95 -23.216 12.549 10.431 1501 HD13 ILE 95 HD13 ILE 95 -22.008 12.689 11.708 1502 H HIS 96 H HIS 96 -19.744 13.622 6.155 1503 HA HIS 96 HA HIS 96 -20.565 10.989 5.362 1504 HB2 HIS 96 HB2 HIS 96 -21.167 13.212 4.221 1505 HB3 HIS 96 HB3 HIS 96 -19.553 13.155 3.514 1506 HD1 HIS 96 HD1 HIS 96 -19.348 11.851 1.391 1507 HD2 HIS 96 HD2 HIS 96 -22.708 10.706 3.578 1508 HE1 HIS 96 HE1 HIS 96 -20.584 10.160 -0.028 1509 HE2 HIS 96 HE2 HIS 96 -22.635 9.450 1.289 1510 H HIS 97 H HIS 97 -17.552 12.546 5.850 1511 HA HIS 97 HA HIS 97 -15.983 10.977 4.034 1512 HB2 HIS 97 HB2 HIS 97 -15.216 13.157 4.951 1513 HB3 HIS 97 HB3 HIS 97 -15.121 12.425 6.552 1514 HD1 HIS 97 HD1 HIS 97 -13.880 11.362 3.091 1515 HD2 HIS 97 HD2 HIS 97 -12.504 11.701 7.012 1516 HE1 HIS 97 HE1 HIS 97 -11.476 10.572 3.076 1517 HE2 HIS 97 HE2 HIS 97 -10.623 10.757 5.461 1518 H ALA 98 H ALA 98 -16.354 10.903 7.583 1519 HA ALA 98 HA ALA 98 -14.994 8.411 7.868 1520 HB1 ALA 98 HB1 ALA 98 -16.783 9.990 9.723 1521 HB2 ALA 98 HB2 ALA 98 -15.022 9.900 9.742 1522 HB3 ALA 98 HB3 ALA 98 -15.982 8.493 10.197 1523 H ASN 99 H ASN 99 -17.638 8.792 6.199 1524 HA ASN 99 HA ASN 99 -19.386 6.812 7.423 1525 HB2 ASN 99 HB2 ASN 99 -20.282 8.761 6.159 1526 HB3 ASN 99 HB3 ASN 99 -19.549 8.108 4.694 1527 HD21 ASN 99 HD21 ASN 99 -20.380 5.978 3.918 1528 HD22 ASN 99 HD22 ASN 99 -21.943 5.482 4.352 1529 H HIS 100 H HIS 100 -16.582 6.684 5.634 1530 HA HIS 100 HA HIS 100 -16.764 3.883 5.184 1531 HB2 HIS 100 HB2 HIS 100 -16.564 4.101 2.623 1532 HB3 HIS 100 HB3 HIS 100 -18.166 4.296 3.332 1533 HD1 HIS 100 HD1 HIS 100 -15.471 6.948 3.407 1534 HD2 HIS 100 HD2 HIS 100 -19.133 6.238 1.544 1535 HE1 HIS 100 HE1 HIS 100 -16.111 9.103 2.246 1536 HE2 HIS 100 HE2 HIS 100 -18.341 8.689 1.105 1537 HA PRO 101 HA PRO 101 -12.587 6.015 5.004 1538 HB2 PRO 101 HB2 PRO 101 -11.631 5.298 7.453 1539 HB3 PRO 101 HB3 PRO 101 -12.667 6.717 7.228 1540 HG2 PRO 101 HG2 PRO 101 -13.409 3.973 8.168 1541 HG3 PRO 101 HG3 PRO 101 -13.887 5.545 8.827 1542 HD2 PRO 101 HD2 PRO 101 -15.500 4.085 7.147 1543 HD3 PRO 101 HD3 PRO 101 -15.539 5.860 7.209 1544 H LYS 102 H LYS 102 -11.940 3.460 7.250 1545 HA LYS 102 HA LYS 102 -10.368 2.030 5.295 1546 HB2 LYS 102 HB2 LYS 102 -9.919 0.487 7.221 1547 HB3 LYS 102 HB3 LYS 102 -9.515 2.172 7.548 1548 HG2 LYS 102 HG2 LYS 102 -11.592 2.489 8.765 1549 HG3 LYS 102 HG3 LYS 102 -12.142 0.872 8.324 1550 HD2 LYS 102 HD2 LYS 102 -10.244 -0.109 9.565 1551 HD3 LYS 102 HD3 LYS 102 -9.702 1.509 10.012 1552 HE2 LYS 102 HE2 LYS 102 -10.967 0.676 11.874 1553 HE3 LYS 102 HE3 LYS 102 -11.992 1.859 11.062 1554 HZ1 LYS 102 HZ1 LYS 102 -12.524 -0.839 11.547 1555 HZ2 LYS 102 HZ2 LYS 102 -12.388 -0.644 9.866 1556 HZ3 LYS 102 HZ3 LYS 102 -13.501 0.293 10.743 1557 H GLU 103 H GLU 103 -13.409 2.202 5.153 1558 HA GLU 103 HA GLU 103 -13.835 -0.470 4.214 1559 HB2 GLU 103 HB2 GLU 103 -14.106 -0.700 6.726 1560 HB3 GLU 103 HB3 GLU 103 -15.511 0.358 6.590 1561 HG2 GLU 103 HG2 GLU 103 -16.332 -1.896 6.487 1562 HG3 GLU 103 HG3 GLU 103 -16.418 -1.249 4.849 Start of MODEL 18 1 H ASN 9 H ASN 9 -21.046 5.348 18.755 2 HA ASN 9 HA ASN 9 -21.899 7.506 19.148 3 HB2 ASN 9 HB2 ASN 9 -22.546 5.602 20.708 4 HB3 ASN 9 HB3 ASN 9 -21.395 6.271 21.864 5 HD21 ASN 9 HD21 ASN 9 -21.832 8.524 22.648 6 HD22 ASN 9 HD22 ASN 9 -23.424 9.113 22.629 7 H THR 10 H THR 10 -19.689 6.987 21.894 8 HA THR 10 HA THR 10 -19.068 9.827 22.000 9 HB THR 10 HB THR 10 -17.897 9.303 24.031 10 HG1 THR 10 HG1 THR 10 -16.969 7.337 23.065 11 HG21 THR 10 HG21 THR 10 -20.444 9.166 23.979 12 HG22 THR 10 HG22 THR 10 -19.664 8.326 25.319 13 HG23 THR 10 HG23 THR 10 -20.259 7.414 23.932 14 H ASP 11 H ASP 11 -17.733 6.947 20.663 15 HA ASP 11 HA ASP 11 -15.010 7.927 20.500 16 HB2 ASP 11 HB2 ASP 11 -16.219 5.611 18.985 17 HB3 ASP 11 HB3 ASP 11 -14.523 5.875 19.388 18 H THR 12 H THR 12 -17.899 8.026 18.575 19 HA THR 12 HA THR 12 -16.673 8.544 16.054 20 HB THR 12 HB THR 12 -18.970 9.485 15.494 21 HG1 THR 12 HG1 THR 12 -19.675 8.411 18.002 22 HG21 THR 12 HG21 THR 12 -18.495 7.189 14.975 23 HG22 THR 12 HG22 THR 12 -20.069 7.212 15.772 24 HG23 THR 12 HG23 THR 12 -18.634 6.715 16.669 25 H LEU 13 H LEU 13 -18.423 10.756 18.250 26 HA LEU 13 HA LEU 13 -17.729 13.130 16.987 27 HB2 LEU 13 HB2 LEU 13 -19.293 12.532 19.074 28 HB3 LEU 13 HB3 LEU 13 -17.898 13.069 19.986 29 HG LEU 13 HG LEU 13 -19.308 14.969 19.707 30 HD11 LEU 13 HD11 LEU 13 -17.820 16.513 18.745 31 HD12 LEU 13 HD12 LEU 13 -17.246 15.355 17.548 32 HD13 LEU 13 HD13 LEU 13 -16.785 15.177 19.243 33 HD21 LEU 13 HD21 LEU 13 -20.437 13.886 17.578 34 HD22 LEU 13 HD22 LEU 13 -19.251 14.852 16.703 35 HD23 LEU 13 HD23 LEU 13 -20.400 15.632 17.782 36 H GLU 14 H GLU 14 -15.907 11.116 19.173 37 HA GLU 14 HA GLU 14 -13.792 13.004 19.670 38 HB2 GLU 14 HB2 GLU 14 -14.029 10.011 20.009 39 HB3 GLU 14 HB3 GLU 14 -12.546 10.892 20.379 40 HG2 GLU 14 HG2 GLU 14 -13.616 12.179 22.075 41 HG3 GLU 14 HG3 GLU 14 -15.221 11.685 21.542 42 H ARG 15 H ARG 15 -14.609 10.773 17.165 43 HA ARG 15 HA ARG 15 -11.941 10.800 15.959 44 HB2 ARG 15 HB2 ARG 15 -13.342 8.738 15.962 45 HB3 ARG 15 HB3 ARG 15 -14.517 9.575 14.946 46 HG2 ARG 15 HG2 ARG 15 -12.843 9.885 13.198 47 HG3 ARG 15 HG3 ARG 15 -11.599 9.169 14.223 48 HD2 ARG 15 HD2 ARG 15 -14.078 7.772 13.178 49 HD3 ARG 15 HD3 ARG 15 -12.424 7.500 12.632 50 HE ARG 15 HE ARG 15 -13.636 6.414 15.000 51 HH11 ARG 15 HH21 ARG 15 -10.697 7.554 13.574 52 HH12 ARG 15 HH22 ARG 15 -9.672 6.571 14.565 53 HH21 ARG 15 HH11 ARG 15 -12.299 5.124 16.306 54 HH22 ARG 15 HH12 ARG 15 -10.579 5.197 16.115 55 H VAL 16 H VAL 16 -15.139 12.179 15.483 56 HA VAL 16 HA VAL 16 -14.552 13.244 12.875 57 HB VAL 16 HB VAL 16 -16.824 13.774 14.803 58 HG11 VAL 16 HG11 VAL 16 -16.676 15.661 13.324 59 HG12 VAL 16 HG12 VAL 16 -17.948 14.621 12.686 60 HG13 VAL 16 HG13 VAL 16 -16.353 14.624 11.936 61 HG21 VAL 16 HG21 VAL 16 -16.541 11.438 13.847 62 HG22 VAL 16 HG22 VAL 16 -16.773 12.147 12.249 63 HG23 VAL 16 HG23 VAL 16 -18.067 12.226 13.445 64 H THR 17 H THR 17 -14.162 14.334 16.142 65 HA THR 17 HA THR 17 -14.084 17.141 15.514 66 HB THR 17 HB THR 17 -14.706 16.295 17.756 67 HG1 THR 17 HG1 THR 17 -13.043 17.664 18.868 68 HG21 THR 17 HG21 THR 17 -13.111 15.264 19.196 69 HG22 THR 17 HG22 THR 17 -11.776 15.639 18.106 70 HG23 THR 17 HG23 THR 17 -12.967 14.420 17.653 71 H GLU 18 H GLU 18 -11.753 14.537 15.680 72 HA GLU 18 HA GLU 18 -9.452 16.265 15.734 73 HB2 GLU 18 HB2 GLU 18 -8.227 14.108 15.186 74 HB3 GLU 18 HB3 GLU 18 -9.157 14.106 16.684 75 HG2 GLU 18 HG2 GLU 18 -10.970 12.909 15.635 76 HG3 GLU 18 HG3 GLU 18 -10.227 13.072 14.045 77 H ILE 19 H ILE 19 -11.568 15.150 13.269 78 HA ILE 19 HA ILE 19 -9.799 15.081 11.062 79 HB ILE 19 HB ILE 19 -12.690 15.983 11.059 80 HG12 ILE 19 HG12 ILE 19 -11.507 13.219 10.648 81 HG13 ILE 19 HG13 ILE 19 -12.315 13.753 12.119 82 HG21 ILE 19 HG21 ILE 19 -12.597 15.185 8.699 83 HG22 ILE 19 HG22 ILE 19 -10.874 14.865 8.897 84 HG23 ILE 19 HG23 ILE 19 -11.482 16.517 8.985 85 HD11 ILE 19 HD11 ILE 19 -13.542 13.574 9.353 86 HD12 ILE 19 HD12 ILE 19 -14.357 14.249 10.765 87 HD13 ILE 19 HD13 ILE 19 -13.914 12.541 10.733 88 H PHE 20 H PHE 20 -11.781 17.747 12.360 89 HA PHE 20 HA PHE 20 -10.845 19.704 10.550 90 HB2 PHE 20 HB2 PHE 20 -11.811 20.226 13.364 91 HB3 PHE 20 HB3 PHE 20 -11.901 21.304 11.971 92 HD1 PHE 20 HD1 PHE 20 -13.227 20.449 9.902 93 HD2 PHE 20 HD2 PHE 20 -13.627 18.795 13.846 94 HE1 PHE 20 HE1 PHE 20 -15.427 19.493 9.279 95 HE2 PHE 20 HE2 PHE 20 -15.830 17.846 13.225 96 HZ PHE 20 HZ PHE 20 -16.729 18.190 10.939 97 H LYS 21 H LYS 21 -10.010 19.281 14.005 98 HA LYS 21 HA LYS 21 -8.004 21.135 14.211 99 HB2 LYS 21 HB2 LYS 21 -8.052 18.374 15.454 100 HB3 LYS 21 HB3 LYS 21 -7.039 19.715 15.992 101 HG2 LYS 21 HG2 LYS 21 -9.060 21.061 16.443 102 HG3 LYS 21 HG3 LYS 21 -10.073 19.717 15.910 103 HD2 LYS 21 HD2 LYS 21 -9.055 18.298 17.696 104 HD3 LYS 21 HD3 LYS 21 -8.164 19.708 18.267 105 HE2 LYS 21 HE2 LYS 21 -10.268 19.336 19.551 106 HE3 LYS 21 HE3 LYS 21 -10.261 20.889 18.715 107 HZ1 LYS 21 HZ1 LYS 21 -12.247 19.122 18.541 108 HZ2 LYS 21 HZ2 LYS 21 -11.317 18.654 17.199 109 HZ3 LYS 21 HZ3 LYS 21 -11.886 20.250 17.325 110 H ALA 22 H ALA 22 -7.881 18.016 12.629 111 HA ALA 22 HA ALA 22 -5.036 17.883 12.404 112 HB1 ALA 22 HB1 ALA 22 -6.496 15.890 12.252 113 HB2 ALA 22 HB2 ALA 22 -5.455 16.054 10.838 114 HB3 ALA 22 HB3 ALA 22 -7.156 16.506 10.738 115 H LEU 23 H LEU 23 -6.963 20.146 11.184 116 HA LEU 23 HA LEU 23 -5.639 20.322 8.532 117 HB2 LEU 23 HB2 LEU 23 -8.008 21.881 9.582 118 HB3 LEU 23 HB3 LEU 23 -7.388 21.883 7.934 119 HG LEU 23 HG LEU 23 -8.464 19.426 9.350 120 HD11 LEU 23 HD11 LEU 23 -10.165 21.241 8.913 121 HD12 LEU 23 HD12 LEU 23 -10.486 19.727 8.067 122 HD13 LEU 23 HD13 LEU 23 -9.790 21.092 7.196 123 HD21 LEU 23 HD21 LEU 23 -7.448 19.986 6.564 124 HD22 LEU 23 HD22 LEU 23 -8.592 18.678 6.860 125 HD23 LEU 23 HD23 LEU 23 -7.021 18.665 7.652 126 H GLY 24 H GLY 24 -5.422 21.459 11.683 127 HA2 GLY 24 HA2 GLY 24 -4.866 24.176 11.442 128 HA3 GLY 24 HA3 GLY 24 -4.138 23.113 12.641 129 H ASP 25 H ASP 25 -2.260 24.564 12.316 130 HA ASP 25 HA ASP 25 -0.138 24.937 11.530 131 HB2 ASP 25 HB2 ASP 25 -0.178 22.374 11.631 132 HB3 ASP 25 HB3 ASP 25 -0.443 22.421 9.890 133 H TYR 26 H TYR 26 -0.518 26.773 10.335 134 HA TYR 26 HA TYR 26 -1.815 27.050 7.925 135 HB2 TYR 26 HB2 TYR 26 0.721 28.564 8.526 136 HB3 TYR 26 HB3 TYR 26 -0.729 29.127 7.695 137 HD1 TYR 26 HD1 TYR 26 -2.873 29.414 8.993 138 HD2 TYR 26 HD2 TYR 26 0.897 28.648 10.905 139 HE1 TYR 26 HE1 TYR 26 -3.812 30.181 11.156 140 HE2 TYR 26 HE2 TYR 26 -0.043 29.416 13.067 141 HH TYR 26 HH TYR 26 -2.509 29.529 14.059 142 H ASN 27 H ASN 27 1.639 26.326 8.417 143 HA ASN 27 HA ASN 27 2.554 26.352 5.838 144 HB2 ASN 27 HB2 ASN 27 3.954 25.883 7.829 145 HB3 ASN 27 HB3 ASN 27 3.255 24.267 7.919 146 HD21 ASN 27 HD21 ASN 27 3.755 22.760 6.118 147 HD22 ASN 27 HD22 ASN 27 5.119 23.026 5.143 148 H ARG 28 H ARG 28 0.572 23.878 7.370 149 HA ARG 28 HA ARG 28 0.850 21.994 5.216 150 HB2 ARG 28 HB2 ARG 28 0.363 21.218 7.479 151 HB3 ARG 28 HB3 ARG 28 -1.144 22.134 7.489 152 HG2 ARG 28 HG2 ARG 28 -2.089 20.769 5.760 153 HG3 ARG 28 HG3 ARG 28 -0.533 20.010 5.422 154 HD2 ARG 28 HD2 ARG 28 -2.189 18.650 6.833 155 HD3 ARG 28 HD3 ARG 28 -0.553 18.809 7.469 156 HE ARG 28 HE ARG 28 -2.266 20.886 8.443 157 HH11 ARG 28 HH21 ARG 28 -1.384 17.556 8.772 158 HH12 ARG 28 HH22 ARG 28 -1.854 17.453 10.436 159 HH21 ARG 28 HH11 ARG 28 -2.891 20.758 10.622 160 HH22 ARG 28 HH12 ARG 28 -2.714 19.265 11.482 161 H ILE 29 H ILE 29 -1.556 24.404 6.171 162 HA ILE 29 HA ILE 29 -3.607 23.690 4.420 163 HB ILE 29 HB ILE 29 -2.883 26.523 5.192 164 HG12 ILE 29 HG12 ILE 29 -4.431 24.404 6.717 165 HG13 ILE 29 HG13 ILE 29 -2.881 25.099 7.189 166 HG21 ILE 29 HG21 ILE 29 -4.712 26.092 3.471 167 HG22 ILE 29 HG22 ILE 29 -5.234 26.955 4.916 168 HG23 ILE 29 HG23 ILE 29 -5.590 25.237 4.740 169 HD11 ILE 29 HD11 ILE 29 -5.571 26.475 7.047 170 HD12 ILE 29 HD12 ILE 29 -4.058 27.377 7.140 171 HD13 ILE 29 HD13 ILE 29 -4.519 26.290 8.451 172 H ARG 30 H ARG 30 -0.768 25.765 3.862 173 HA ARG 30 HA ARG 30 -1.530 26.545 1.231 174 HB2 ARG 30 HB2 ARG 30 1.160 26.470 2.615 175 HB3 ARG 30 HB3 ARG 30 0.893 27.173 1.019 176 HG2 ARG 30 HG2 ARG 30 -0.866 28.653 2.052 177 HG3 ARG 30 HG3 ARG 30 -0.372 28.044 3.632 178 HD2 ARG 30 HD2 ARG 30 1.948 28.821 3.169 179 HD3 ARG 30 HD3 ARG 30 1.392 29.502 1.643 180 HE ARG 30 HE ARG 30 -0.256 30.618 3.541 181 HH11 ARG 30 HH21 ARG 30 3.149 30.389 2.967 182 HH12 ARG 30 HH22 ARG 30 3.522 31.884 3.756 183 HH21 ARG 30 HH11 ARG 30 0.226 32.585 4.571 184 HH22 ARG 30 HH12 ARG 30 1.868 33.131 4.661 185 H ILE 31 H ILE 31 0.147 23.788 2.576 186 HA ILE 31 HA ILE 31 1.130 22.816 0.042 187 HB ILE 31 HB ILE 31 0.855 21.503 2.756 188 HG12 ILE 31 HG12 ILE 31 3.326 22.375 1.236 189 HG13 ILE 31 HG13 ILE 31 2.512 23.405 2.414 190 HG21 ILE 31 HG21 ILE 31 2.448 19.808 1.706 191 HG22 ILE 31 HG22 ILE 31 2.007 20.497 0.143 192 HG23 ILE 31 HG23 ILE 31 0.777 19.729 1.148 193 HD11 ILE 31 HD11 ILE 31 3.417 20.600 3.088 194 HD12 ILE 31 HD12 ILE 31 2.961 21.891 4.199 195 HD13 ILE 31 HD13 ILE 31 4.470 22.000 3.292 196 H MET 32 H MET 32 -1.835 22.740 1.765 197 HA MET 32 HA MET 32 -2.906 20.367 0.544 198 HB2 MET 32 HB2 MET 32 -3.662 21.528 2.733 199 HB3 MET 32 HB3 MET 32 -4.541 22.636 1.685 200 HG2 MET 32 HG2 MET 32 -4.853 19.618 1.586 201 HG3 MET 32 HG3 MET 32 -5.912 20.690 2.498 202 HE1 MET 32 HE1 MET 32 -7.314 18.921 0.801 203 HE2 MET 32 HE2 MET 32 -6.033 18.613 -0.371 204 HE3 MET 32 HE3 MET 32 -7.578 19.271 -0.909 205 H GLU 33 H GLU 33 -2.925 23.821 -0.129 206 HA GLU 33 HA GLU 33 -4.834 23.841 -2.208 207 HB2 GLU 33 HB2 GLU 33 -2.413 25.598 -1.739 208 HB3 GLU 33 HB3 GLU 33 -3.661 25.926 -2.941 209 HG2 GLU 33 HG2 GLU 33 -5.363 25.903 -1.109 210 HG3 GLU 33 HG3 GLU 33 -4.056 25.716 0.058 211 H LEU 34 H LEU 34 -1.433 22.991 -2.111 212 HA LEU 34 HA LEU 34 -0.954 22.990 -4.901 213 HB2 LEU 34 HB2 LEU 34 0.888 22.983 -3.323 214 HB3 LEU 34 HB3 LEU 34 0.354 21.449 -2.647 215 HG LEU 34 HG LEU 34 0.853 20.296 -4.730 216 HD11 LEU 34 HD11 LEU 34 1.305 23.100 -5.753 217 HD12 LEU 34 HD12 LEU 34 0.326 21.813 -6.457 218 HD13 LEU 34 HD13 LEU 34 2.082 21.722 -6.531 219 HD21 LEU 34 HD21 LEU 34 3.112 22.167 -3.969 220 HD22 LEU 34 HD22 LEU 34 3.281 20.604 -4.770 221 HD23 LEU 34 HD23 LEU 34 2.688 20.684 -3.110 222 H LEU 35 H LEU 35 -2.051 20.484 -2.645 223 HA LEU 35 HA LEU 35 -2.144 18.418 -4.643 224 HB2 LEU 35 HB2 LEU 35 -3.593 18.464 -1.990 225 HB3 LEU 35 HB3 LEU 35 -3.124 17.052 -2.933 226 HG LEU 35 HG LEU 35 -1.169 19.027 -1.716 227 HD11 LEU 35 HD11 LEU 35 -0.695 17.133 -0.138 228 HD12 LEU 35 HD12 LEU 35 -2.100 16.293 -0.796 229 HD13 LEU 35 HD13 LEU 35 -2.306 17.824 0.055 230 HD21 LEU 35 HD21 LEU 35 0.395 17.024 -2.183 231 HD22 LEU 35 HD22 LEU 35 -0.113 17.983 -3.570 232 HD23 LEU 35 HD23 LEU 35 -0.884 16.432 -3.241 233 H SER 36 H SER 36 -4.040 21.104 -4.096 234 HA SER 36 HA SER 36 -6.623 19.942 -4.643 235 HB2 SER 36 HB2 SER 36 -6.229 22.079 -3.338 236 HB3 SER 36 HB3 SER 36 -5.828 22.849 -4.872 237 HG SER 36 HG SER 36 -8.203 22.514 -3.863 238 H VAL 37 H VAL 37 -4.364 22.010 -6.476 239 HA VAL 37 HA VAL 37 -5.903 21.770 -8.901 240 HB VAL 37 HB VAL 37 -4.609 23.792 -8.475 241 HG11 VAL 37 HG11 VAL 37 -2.176 21.987 -8.634 242 HG12 VAL 37 HG12 VAL 37 -2.813 22.687 -7.145 243 HG13 VAL 37 HG13 VAL 37 -2.165 23.737 -8.405 244 HG21 VAL 37 HG21 VAL 37 -4.918 22.839 -10.832 245 HG22 VAL 37 HG22 VAL 37 -3.249 22.280 -10.714 246 HG23 VAL 37 HG23 VAL 37 -3.608 24.004 -10.634 247 H SER 38 H SER 38 -3.122 20.173 -7.484 248 HA SER 38 HA SER 38 -3.357 17.920 -9.206 249 HB2 SER 38 HB2 SER 38 -1.401 18.137 -10.554 250 HB3 SER 38 HB3 SER 38 -2.286 19.652 -10.732 251 HG SER 38 HG SER 38 -0.836 20.671 -9.513 252 H GLU 39 H GLU 39 -2.289 16.183 -8.372 253 HA GLU 39 HA GLU 39 -1.398 16.183 -5.738 254 HB2 GLU 39 HB2 GLU 39 -0.421 13.967 -6.244 255 HB3 GLU 39 HB3 GLU 39 -2.048 14.135 -6.896 256 HG2 GLU 39 HG2 GLU 39 -0.845 13.191 -8.684 257 HG3 GLU 39 HG3 GLU 39 -0.877 14.907 -9.080 258 H ALA 40 H ALA 40 0.925 15.326 -5.161 259 HA ALA 40 HA ALA 40 3.066 16.493 -6.735 260 HB1 ALA 40 HB1 ALA 40 2.239 18.468 -5.529 261 HB2 ALA 40 HB2 ALA 40 3.836 18.001 -4.946 262 HB3 ALA 40 HB3 ALA 40 2.403 17.608 -3.997 263 H SER 41 H SER 41 5.094 15.742 -6.147 264 HA SER 41 HA SER 41 5.100 13.341 -4.492 265 HB2 SER 41 HB2 SER 41 6.243 13.451 -6.724 266 HB3 SER 41 HB3 SER 41 7.379 14.606 -6.029 267 HG SER 41 HG SER 41 8.407 12.941 -5.311 268 H VAL 42 H VAL 42 7.584 13.249 -3.483 269 HA VAL 42 HA VAL 42 7.371 14.837 -1.122 270 HB VAL 42 HB VAL 42 9.613 13.081 -2.150 271 HG11 VAL 42 HG11 VAL 42 10.601 14.580 -0.573 272 HG12 VAL 42 HG12 VAL 42 10.253 13.105 0.329 273 HG13 VAL 42 HG13 VAL 42 9.194 14.505 0.486 274 HG21 VAL 42 HG21 VAL 42 7.455 11.941 -1.684 275 HG22 VAL 42 HG22 VAL 42 7.467 12.618 -0.056 276 HG23 VAL 42 HG23 VAL 42 8.709 11.464 -0.539 277 H GLY 43 H GLY 43 10.031 14.688 -3.502 278 HA2 GLY 43 HA2 GLY 43 11.352 16.985 -2.591 279 HA3 GLY 43 HA3 GLY 43 11.550 16.271 -4.187 280 H HIS 44 H HIS 44 8.838 16.602 -5.058 281 HA HIS 44 HA HIS 44 8.933 19.017 -6.348 282 HB2 HIS 44 HB2 HIS 44 7.327 17.103 -6.763 283 HB3 HIS 44 HB3 HIS 44 6.349 17.740 -5.439 284 HD1 HIS 44 HD1 HIS 44 7.928 20.511 -7.101 285 HD2 HIS 44 HD2 HIS 44 4.543 18.196 -7.853 286 HE1 HIS 44 HE1 HIS 44 6.499 21.837 -8.714 287 HE2 HIS 44 HE2 HIS 44 4.435 20.437 -9.192 288 H ILE 45 H ILE 45 7.754 18.373 -3.102 289 HA ILE 45 HA ILE 45 6.406 20.843 -2.720 290 HB ILE 45 HB ILE 45 7.655 18.959 -0.705 291 HG12 ILE 45 HG12 ILE 45 4.755 19.283 -1.518 292 HG13 ILE 45 HG13 ILE 45 5.824 18.075 -2.231 293 HG21 ILE 45 HG21 ILE 45 7.358 21.060 0.386 294 HG22 ILE 45 HG22 ILE 45 5.944 20.100 0.819 295 HG23 ILE 45 HG23 ILE 45 5.817 21.345 -0.423 296 HD11 ILE 45 HD11 ILE 45 4.452 17.207 -0.306 297 HD12 ILE 45 HD12 ILE 45 5.312 18.331 0.746 298 HD13 ILE 45 HD13 ILE 45 6.191 17.039 -0.071 299 H SER 46 H SER 46 9.718 19.779 -2.044 300 HA SER 46 HA SER 46 10.709 21.815 -0.535 301 HB2 SER 46 HB2 SER 46 12.884 21.341 -1.477 302 HB3 SER 46 HB3 SER 46 11.987 19.828 -1.362 303 HG SER 46 HG SER 46 13.107 20.775 -3.481 304 H HIS 47 H HIS 47 9.455 22.100 -3.703 305 HA HIS 47 HA HIS 47 10.830 24.649 -4.246 306 HB2 HIS 47 HB2 HIS 47 10.612 22.900 -6.029 307 HB3 HIS 47 HB3 HIS 47 8.866 23.134 -5.975 308 HD1 HIS 47 HD1 HIS 47 8.069 25.712 -6.423 309 HD2 HIS 47 HD2 HIS 47 11.924 24.717 -7.662 310 HE1 HIS 47 HE1 HIS 47 8.775 27.500 -8.069 311 HE2 HIS 47 HE2 HIS 47 11.124 26.913 -8.832 312 H GLN 48 H GLN 48 7.757 23.350 -3.263 313 HA GLN 48 HA GLN 48 6.122 25.537 -3.996 314 HB2 GLN 48 HB2 GLN 48 5.303 23.254 -3.369 315 HB3 GLN 48 HB3 GLN 48 5.703 23.617 -1.693 316 HG2 GLN 48 HG2 GLN 48 3.345 24.069 -2.040 317 HG3 GLN 48 HG3 GLN 48 4.178 25.604 -1.814 318 HE21 GLN 48 HE21 GLN 48 4.024 27.132 -3.501 319 HE22 GLN 48 HE22 GLN 48 3.310 26.811 -5.007 320 H LEU 49 H LEU 49 7.788 24.750 -0.951 321 HA LEU 49 HA LEU 49 8.061 27.521 -0.267 322 HB2 LEU 49 HB2 LEU 49 5.595 26.740 0.264 323 HB3 LEU 49 HB3 LEU 49 6.331 25.992 1.673 324 HG LEU 49 HG LEU 49 6.543 28.922 0.917 325 HD11 LEU 49 HD11 LEU 49 4.292 28.128 1.715 326 HD12 LEU 49 HD12 LEU 49 5.043 29.318 2.778 327 HD13 LEU 49 HD13 LEU 49 5.063 27.609 3.213 328 HD21 LEU 49 HD21 LEU 49 8.514 28.445 2.108 329 HD22 LEU 49 HD22 LEU 49 7.718 27.265 3.150 330 HD23 LEU 49 HD23 LEU 49 7.417 28.989 3.371 331 H ASN 50 H ASN 50 7.877 24.236 1.096 332 HA ASN 50 HA ASN 50 9.902 24.718 3.068 333 HB2 ASN 50 HB2 ASN 50 8.690 22.167 1.983 334 HB3 ASN 50 HB3 ASN 50 9.841 22.220 3.317 335 HD21 ASN 50 HD21 ASN 50 9.143 23.536 5.272 336 HD22 ASN 50 HD22 ASN 50 7.485 23.662 5.611 337 H LEU 51 H LEU 51 11.834 23.098 3.099 338 HA LEU 51 HA LEU 51 13.030 22.634 0.473 339 HB2 LEU 51 HB2 LEU 51 15.151 23.867 1.442 340 HB3 LEU 51 HB3 LEU 51 13.871 24.798 0.674 341 HG LEU 51 HG LEU 51 12.892 25.340 2.832 342 HD11 LEU 51 HD11 LEU 51 15.011 23.448 3.862 343 HD12 LEU 51 HD12 LEU 51 13.272 23.403 4.153 344 HD13 LEU 51 HD13 LEU 51 14.258 24.652 4.907 345 HD21 LEU 51 HD21 LEU 51 14.663 26.815 2.053 346 HD22 LEU 51 HD22 LEU 51 15.894 25.749 2.729 347 HD23 LEU 51 HD23 LEU 51 14.805 26.630 3.802 348 H SER 52 H SER 52 12.084 20.944 2.594 349 HA SER 52 HA SER 52 14.508 19.371 3.010 350 HB2 SER 52 HB2 SER 52 14.614 20.556 5.053 351 HB3 SER 52 HB3 SER 52 12.862 20.532 5.254 352 HG SER 52 HG SER 52 14.351 18.145 5.119 353 H GLN 53 H GLN 53 14.022 17.364 2.451 354 HA GLN 53 HA GLN 53 11.326 16.530 1.993 355 HB2 GLN 53 HB2 GLN 53 12.443 14.293 1.538 356 HB3 GLN 53 HB3 GLN 53 13.009 15.642 0.551 357 HG2 GLN 53 HG2 GLN 53 14.973 15.915 1.914 358 HG3 GLN 53 HG3 GLN 53 14.362 14.784 3.121 359 HE21 GLN 53 HE21 GLN 53 16.149 13.282 2.863 360 HE22 GLN 53 HE22 GLN 53 16.343 12.362 1.450 361 H SER 54 H SER 54 13.456 16.382 4.697 362 HA SER 54 HA SER 54 12.212 14.118 5.972 363 HB2 SER 54 HB2 SER 54 13.996 16.273 7.130 364 HB3 SER 54 HB3 SER 54 13.573 14.751 7.912 365 HG SER 54 HG SER 54 15.068 15.155 5.544 366 H ASN 55 H ASN 55 11.787 17.596 5.987 367 HA ASN 55 HA ASN 55 10.172 17.736 8.328 368 HB2 ASN 55 HB2 ASN 55 11.297 19.713 7.446 369 HB3 ASN 55 HB3 ASN 55 10.368 19.604 5.953 370 HD21 ASN 55 HD21 ASN 55 7.901 19.776 6.251 371 HD22 ASN 55 HD22 ASN 55 7.332 20.789 7.489 372 H VAL 56 H VAL 56 9.396 17.581 4.857 373 HA VAL 56 HA VAL 56 6.565 17.638 5.285 374 HB VAL 56 HB VAL 56 6.401 17.145 2.905 375 HG11 VAL 56 HG11 VAL 56 6.965 19.439 3.490 376 HG12 VAL 56 HG12 VAL 56 7.864 18.986 2.042 377 HG13 VAL 56 HG13 VAL 56 8.675 19.023 3.608 378 HG21 VAL 56 HG21 VAL 56 9.325 16.446 3.228 379 HG22 VAL 56 HG22 VAL 56 8.610 16.800 1.656 380 HG23 VAL 56 HG23 VAL 56 8.029 15.428 2.599 381 H SER 57 H SER 57 8.966 15.089 4.852 382 HA SER 57 HA SER 57 7.293 12.896 4.409 383 HB2 SER 57 HB2 SER 57 9.645 12.565 4.232 384 HB3 SER 57 HB3 SER 57 9.923 13.150 5.872 385 HG SER 57 HG SER 57 8.606 10.772 5.069 386 H HIS 58 H HIS 58 8.164 14.556 7.391 387 HA HIS 58 HA HIS 58 6.980 12.707 9.194 388 HB2 HIS 58 HB2 HIS 58 7.356 15.688 9.569 389 HB3 HIS 58 HB3 HIS 58 7.157 14.479 10.839 390 HD1 HIS 58 HD1 HIS 58 9.723 16.230 10.687 391 HD2 HIS 58 HD2 HIS 58 9.387 12.432 9.001 392 HE1 HIS 58 HE1 HIS 58 12.079 15.334 10.468 393 HE2 HIS 58 HE2 HIS 58 11.894 13.020 9.439 394 H GLN 59 H GLN 59 5.801 15.794 7.857 395 HA GLN 59 HA GLN 59 3.322 15.906 9.059 396 HB2 GLN 59 HB2 GLN 59 4.057 16.718 6.237 397 HB3 GLN 59 HB3 GLN 59 2.603 17.233 7.092 398 HG2 GLN 59 HG2 GLN 59 4.156 18.103 8.925 399 HG3 GLN 59 HG3 GLN 59 5.481 17.849 7.790 400 HE21 GLN 59 HE21 GLN 59 3.741 18.572 5.434 401 HE22 GLN 59 HE22 GLN 59 3.578 20.261 5.508 402 H LEU 60 H LEU 60 4.068 14.391 5.908 403 HA LEU 60 HA LEU 60 1.551 13.497 5.247 404 HB2 LEU 60 HB2 LEU 60 4.328 12.527 4.688 405 HB3 LEU 60 HB3 LEU 60 3.009 11.449 4.256 406 HG LEU 60 HG LEU 60 1.976 13.348 2.960 407 HD11 LEU 60 HD11 LEU 60 4.698 14.620 3.358 408 HD12 LEU 60 HD12 LEU 60 3.228 15.162 4.170 409 HD13 LEU 60 HD13 LEU 60 3.358 15.268 2.415 410 HD21 LEU 60 HD21 LEU 60 3.679 13.190 1.106 411 HD22 LEU 60 HD22 LEU 60 3.199 11.634 1.784 412 HD23 LEU 60 HD23 LEU 60 4.744 12.354 2.238 413 H LYS 61 H LYS 61 3.676 12.281 7.738 414 HA LYS 61 HA LYS 61 2.415 9.747 8.061 415 HB2 LYS 61 HB2 LYS 61 4.703 10.471 8.948 416 HB3 LYS 61 HB3 LYS 61 3.825 11.291 10.239 417 HG2 LYS 61 HG2 LYS 61 2.741 9.161 10.858 418 HG3 LYS 61 HG3 LYS 61 3.619 8.338 9.569 419 HD2 LYS 61 HD2 LYS 61 5.745 8.817 10.623 420 HD3 LYS 61 HD3 LYS 61 4.967 9.843 11.828 421 HE2 LYS 61 HE2 LYS 61 4.410 6.881 11.484 422 HE3 LYS 61 HE3 LYS 61 5.502 7.556 12.694 423 HZ1 LYS 61 HZ1 LYS 61 3.676 7.637 13.956 424 HZ2 LYS 61 HZ2 LYS 61 2.619 7.513 12.633 425 HZ3 LYS 61 HZ3 LYS 61 3.278 9.020 13.056 426 H LEU 62 H LEU 62 1.959 12.914 9.594 427 HA LEU 62 HA LEU 62 0.089 12.117 11.537 428 HB2 LEU 62 HB2 LEU 62 0.640 14.742 10.159 429 HB3 LEU 62 HB3 LEU 62 -0.649 14.592 11.351 430 HG LEU 62 HG LEU 62 0.984 13.763 13.009 431 HD11 LEU 62 HD11 LEU 62 2.665 12.702 11.726 432 HD12 LEU 62 HD12 LEU 62 3.456 14.146 12.348 433 HD13 LEU 62 HD13 LEU 62 2.879 14.107 10.683 434 HD21 LEU 62 HD21 LEU 62 0.479 16.213 12.727 435 HD22 LEU 62 HD22 LEU 62 1.916 16.341 11.714 436 HD23 LEU 62 HD23 LEU 62 2.073 15.891 13.411 437 H LEU 63 H LEU 63 -0.261 12.797 8.121 438 HA LEU 63 HA LEU 63 -3.116 13.067 8.188 439 HB2 LEU 63 HB2 LEU 63 -1.500 12.328 5.755 440 HB3 LEU 63 HB3 LEU 63 -2.997 13.256 5.843 441 HG LEU 63 HG LEU 63 -0.263 14.120 6.823 442 HD11 LEU 63 HD11 LEU 63 -0.621 14.284 4.385 443 HD12 LEU 63 HD12 LEU 63 -0.534 15.884 5.121 444 HD13 LEU 63 HD13 LEU 63 -2.098 15.206 4.666 445 HD21 LEU 63 HD21 LEU 63 -1.802 15.005 8.405 446 HD22 LEU 63 HD22 LEU 63 -3.010 15.336 7.164 447 HD23 LEU 63 HD23 LEU 63 -1.545 16.313 7.251 448 H LYS 64 H LYS 64 -0.871 10.407 7.745 449 HA LYS 64 HA LYS 64 -2.628 8.521 6.626 450 HB2 LYS 64 HB2 LYS 64 -0.189 8.228 8.383 451 HB3 LYS 64 HB3 LYS 64 -1.056 6.839 7.728 452 HG2 LYS 64 HG2 LYS 64 -0.741 7.760 5.437 453 HG3 LYS 64 HG3 LYS 64 0.198 9.085 6.121 454 HD2 LYS 64 HD2 LYS 64 1.865 7.535 6.973 455 HD3 LYS 64 HD3 LYS 64 0.892 6.154 6.467 456 HE2 LYS 64 HE2 LYS 64 1.158 6.753 4.130 457 HE3 LYS 64 HE3 LYS 64 1.975 8.254 4.567 458 HZ1 LYS 64 HZ1 LYS 64 3.794 7.046 5.457 459 HZ2 LYS 64 HZ2 LYS 64 3.480 6.401 3.917 460 HZ3 LYS 64 HZ3 LYS 64 2.980 5.564 5.308 461 H SER 65 H SER 65 -2.041 9.464 9.981 462 HA SER 65 HA SER 65 -3.468 7.406 11.251 463 HB2 SER 65 HB2 SER 65 -1.991 9.111 12.372 464 HB3 SER 65 HB3 SER 65 -3.294 10.281 12.175 465 HG SER 65 HG SER 65 -3.038 8.713 14.160 466 H VAL 66 H VAL 66 -4.588 10.710 10.474 467 HA VAL 66 HA VAL 66 -7.319 10.093 11.077 468 HB VAL 66 HB VAL 66 -7.722 12.344 9.958 469 HG11 VAL 66 HG11 VAL 66 -7.426 12.160 12.373 470 HG12 VAL 66 HG12 VAL 66 -6.563 13.584 11.793 471 HG13 VAL 66 HG13 VAL 66 -5.673 12.112 12.183 472 HG21 VAL 66 HG21 VAL 66 -5.823 13.664 9.324 473 HG22 VAL 66 HG22 VAL 66 -5.638 12.110 8.510 474 HG23 VAL 66 HG23 VAL 66 -4.696 12.464 9.958 475 H HIS 67 H HIS 67 -5.531 8.905 8.690 476 HA HIS 67 HA HIS 67 -5.901 8.165 6.537 477 HB2 HIS 67 HB2 HIS 67 -8.720 7.978 7.631 478 HB3 HIS 67 HB3 HIS 67 -8.108 7.129 6.212 479 HD1 HIS 67 HD1 HIS 67 -6.098 5.398 6.679 480 HD2 HIS 67 HD2 HIS 67 -8.149 6.725 10.058 481 HE1 HIS 67 HE1 HIS 67 -5.492 3.809 8.554 482 HE2 HIS 67 HE2 HIS 67 -6.735 4.601 10.621 483 H LEU 68 H LEU 68 -6.440 11.129 7.216 484 HA LEU 68 HA LEU 68 -8.519 12.115 5.653 485 HB2 LEU 68 HB2 LEU 68 -7.286 13.495 7.247 486 HB3 LEU 68 HB3 LEU 68 -5.820 13.337 6.286 487 HG LEU 68 HG LEU 68 -6.842 14.564 4.445 488 HD11 LEU 68 HD11 LEU 68 -9.142 15.678 5.016 489 HD12 LEU 68 HD12 LEU 68 -9.312 14.356 6.167 490 HD13 LEU 68 HD13 LEU 68 -9.129 14.014 4.447 491 HD21 LEU 68 HD21 LEU 68 -7.124 15.840 7.174 492 HD22 LEU 68 HD22 LEU 68 -7.248 16.748 5.668 493 HD23 LEU 68 HD23 LEU 68 -5.742 15.929 6.082 494 H VAL 69 H VAL 69 -5.640 10.572 4.698 495 HA VAL 69 HA VAL 69 -6.229 11.092 1.871 496 HB VAL 69 HB VAL 69 -3.868 11.604 1.382 497 HG11 VAL 69 HG11 VAL 69 -5.596 13.397 1.876 498 HG12 VAL 69 HG12 VAL 69 -3.922 13.889 2.131 499 HG13 VAL 69 HG13 VAL 69 -4.940 13.473 3.510 500 HG21 VAL 69 HG21 VAL 69 -2.426 12.257 3.363 501 HG22 VAL 69 HG22 VAL 69 -2.753 10.528 3.227 502 HG23 VAL 69 HG23 VAL 69 -3.636 11.505 4.401 503 H LYS 70 H LYS 70 -4.592 9.746 0.513 504 HA LYS 70 HA LYS 70 -3.797 7.235 1.805 505 HB2 LYS 70 HB2 LYS 70 -6.131 6.847 1.166 506 HB3 LYS 70 HB3 LYS 70 -5.785 7.384 -0.478 507 HG2 LYS 70 HG2 LYS 70 -4.304 5.526 -0.857 508 HG3 LYS 70 HG3 LYS 70 -4.349 5.069 0.845 509 HD2 LYS 70 HD2 LYS 70 -6.744 4.549 0.657 510 HD3 LYS 70 HD3 LYS 70 -6.728 5.041 -1.037 511 HE2 LYS 70 HE2 LYS 70 -4.911 3.281 -1.391 512 HE3 LYS 70 HE3 LYS 70 -5.300 2.691 0.224 513 HZ1 LYS 70 HZ1 LYS 70 -6.505 1.793 -1.934 514 HZ2 LYS 70 HZ2 LYS 70 -7.527 3.110 -1.611 515 HZ3 LYS 70 HZ3 LYS 70 -7.298 1.904 -0.437 516 H ALA 71 H ALA 71 -1.870 6.684 1.052 517 HA ALA 71 HA ALA 71 -0.907 7.826 -1.502 518 HB1 ALA 71 HB1 ALA 71 1.329 7.286 -0.627 519 HB2 ALA 71 HB2 ALA 71 0.595 6.590 0.818 520 HB3 ALA 71 HB3 ALA 71 0.436 8.317 0.492 521 H LYS 72 H LYS 72 0.449 6.477 -2.853 522 HA LYS 72 HA LYS 72 0.206 3.576 -2.576 523 HB2 LYS 72 HB2 LYS 72 -1.836 4.216 -3.816 524 HB3 LYS 72 HB3 LYS 72 -0.837 5.034 -5.019 525 HG2 LYS 72 HG2 LYS 72 0.167 2.989 -5.723 526 HG3 LYS 72 HG3 LYS 72 -0.444 2.119 -4.317 527 HD2 LYS 72 HD2 LYS 72 -1.804 1.542 -6.250 528 HD3 LYS 72 HD3 LYS 72 -2.771 2.508 -5.137 529 HE2 LYS 72 HE2 LYS 72 -1.254 3.823 -7.391 530 HE3 LYS 72 HE3 LYS 72 -2.844 3.111 -7.663 531 HZ1 LYS 72 HZ1 LYS 72 -2.682 4.769 -5.313 532 HZ2 LYS 72 HZ2 LYS 72 -3.854 4.734 -6.541 533 HZ3 LYS 72 HZ3 LYS 72 -2.415 5.608 -6.764 534 H ARG 73 H ARG 73 2.255 2.947 -2.801 535 HA ARG 73 HA ARG 73 4.290 4.493 -3.881 536 HB2 ARG 73 HB2 ARG 73 5.609 2.346 -3.904 537 HB3 ARG 73 HB3 ARG 73 4.822 2.708 -2.368 538 HG2 ARG 73 HG2 ARG 73 3.030 1.161 -2.840 539 HG3 ARG 73 HG3 ARG 73 3.601 0.926 -4.492 540 HD2 ARG 73 HD2 ARG 73 5.191 0.217 -2.010 541 HD3 ARG 73 HD3 ARG 73 4.257 -0.938 -2.958 542 HE ARG 73 HE ARG 73 6.118 0.517 -4.584 543 HH11 ARG 73 HH21 ARG 73 5.742 -2.079 -2.327 544 HH12 ARG 73 HH22 ARG 73 7.112 -2.964 -2.906 545 HH21 ARG 73 HH11 ARG 73 7.919 -0.639 -5.347 546 HH22 ARG 73 HH12 ARG 73 8.345 -2.150 -4.616 547 H GLN 74 H GLN 74 5.482 4.404 -5.751 548 HA GLN 74 HA GLN 74 4.657 2.754 -7.993 549 HB2 GLN 74 HB2 GLN 74 3.107 4.749 -8.039 550 HB3 GLN 74 HB3 GLN 74 4.529 5.763 -8.281 551 HG2 GLN 74 HG2 GLN 74 5.072 4.612 -10.343 552 HG3 GLN 74 HG3 GLN 74 3.796 3.427 -10.069 553 HE21 GLN 74 HE21 GLN 74 4.233 5.619 -12.239 554 HE22 GLN 74 HE22 GLN 74 2.740 6.426 -12.279 555 H GLY 75 H GLY 75 6.839 2.032 -7.591 556 HA2 GLY 75 HA2 GLY 75 8.999 1.944 -8.501 557 HA3 GLY 75 HA3 GLY 75 8.829 3.612 -9.042 558 H GLN 76 H GLN 76 11.098 3.608 -8.077 559 HA GLN 76 HA GLN 76 11.620 3.350 -5.356 560 HB2 GLN 76 HB2 GLN 76 12.879 5.259 -7.341 561 HB3 GLN 76 HB3 GLN 76 13.559 4.823 -5.773 562 HG2 GLN 76 HG2 GLN 76 13.620 2.450 -6.468 563 HG3 GLN 76 HG3 GLN 76 12.964 2.898 -8.041 564 HE21 GLN 76 HE21 GLN 76 15.041 5.339 -6.868 565 HE22 GLN 76 HE22 GLN 76 16.437 4.889 -7.723 566 H SER 77 H SER 77 9.762 5.728 -6.972 567 HA SER 77 HA SER 77 9.977 7.670 -4.760 568 HB2 SER 77 HB2 SER 77 8.492 7.883 -7.388 569 HB3 SER 77 HB3 SER 77 8.772 9.179 -6.225 570 HG SER 77 HG SER 77 10.410 9.443 -7.584 571 H MET 78 H MET 78 8.286 8.150 -3.437 572 HA MET 78 HA MET 78 5.897 6.391 -3.576 573 HB2 MET 78 HB2 MET 78 5.704 7.198 -1.114 574 HB3 MET 78 HB3 MET 78 6.944 6.011 -1.512 575 HG2 MET 78 HG2 MET 78 8.670 7.642 -1.502 576 HG3 MET 78 HG3 MET 78 7.519 8.977 -1.548 577 HE1 MET 78 HE1 MET 78 10.055 7.816 0.386 578 HE2 MET 78 HE2 MET 78 9.634 8.532 1.941 579 HE3 MET 78 HE3 MET 78 9.557 9.507 0.474 580 H ILE 79 H ILE 79 4.817 7.717 -5.091 581 HA ILE 79 HA ILE 79 4.157 10.474 -4.332 582 HB ILE 79 HB ILE 79 2.929 10.464 -6.515 583 HG12 ILE 79 HG12 ILE 79 4.254 7.765 -6.890 584 HG13 ILE 79 HG13 ILE 79 2.546 7.962 -6.496 585 HG21 ILE 79 HG21 ILE 79 5.834 9.591 -6.577 586 HG22 ILE 79 HG22 ILE 79 5.258 11.243 -6.355 587 HG23 ILE 79 HG23 ILE 79 4.989 10.414 -7.888 588 HD11 ILE 79 HD11 ILE 79 2.193 9.270 -8.531 589 HD12 ILE 79 HD12 ILE 79 2.936 7.726 -8.951 590 HD13 ILE 79 HD13 ILE 79 3.914 9.193 -8.907 591 H TYR 80 H TYR 80 1.930 11.189 -4.289 592 HA TYR 80 HA TYR 80 -0.116 9.149 -3.732 593 HB2 TYR 80 HB2 TYR 80 -0.727 10.287 -1.617 594 HB3 TYR 80 HB3 TYR 80 0.886 9.576 -1.551 595 HD1 TYR 80 HD2 TYR 80 2.908 11.037 -1.853 596 HD2 TYR 80 HD1 TYR 80 -1.053 12.652 -1.447 597 HE1 TYR 80 HE2 TYR 80 3.869 13.261 -1.327 598 HE2 TYR 80 HE1 TYR 80 -0.092 14.876 -0.923 599 HH TYR 80 HH TYR 80 1.918 15.875 -0.153 600 H SER 81 H SER 81 -2.139 10.638 -2.867 601 HA SER 81 HA SER 81 -2.477 13.121 -4.234 602 HB2 SER 81 HB2 SER 81 -3.950 10.757 -5.420 603 HB3 SER 81 HB3 SER 81 -4.051 12.437 -5.941 604 HG SER 81 HG SER 81 -1.883 12.336 -6.539 605 H LEU 82 H LEU 82 -5.261 12.976 -4.639 606 HA LEU 82 HA LEU 82 -6.241 13.490 -2.059 607 HB2 LEU 82 HB2 LEU 82 -7.961 12.646 -4.390 608 HB3 LEU 82 HB3 LEU 82 -8.378 13.733 -3.068 609 HG LEU 82 HG LEU 82 -6.371 14.252 -5.281 610 HD11 LEU 82 HD11 LEU 82 -8.876 15.775 -4.524 611 HD12 LEU 82 HD12 LEU 82 -8.859 14.499 -5.741 612 HD13 LEU 82 HD13 LEU 82 -7.903 15.961 -5.984 613 HD21 LEU 82 HD21 LEU 82 -6.312 16.562 -4.133 614 HD22 LEU 82 HD22 LEU 82 -5.419 15.260 -3.354 615 HD23 LEU 82 HD23 LEU 82 -6.995 15.745 -2.728 616 H ASP 83 H ASP 83 -8.786 12.017 -2.368 617 HA ASP 83 HA ASP 83 -8.130 9.212 -2.025 618 HB2 ASP 83 HB2 ASP 83 -7.542 10.139 0.181 619 HB3 ASP 83 HB3 ASP 83 -9.158 10.827 0.320 620 H ASP 84 H ASP 84 -10.328 11.817 -2.411 621 HA ASP 84 HA ASP 84 -12.324 10.149 -3.557 622 HB2 ASP 84 HB2 ASP 84 -12.653 9.753 -1.059 623 HB3 ASP 84 HB3 ASP 84 -13.162 11.438 -0.958 624 H ILE 85 H ILE 85 -14.338 11.466 -4.066 625 HA ILE 85 HA ILE 85 -13.495 14.000 -5.138 626 HB ILE 85 HB ILE 85 -15.868 14.088 -5.975 627 HG12 ILE 85 HG12 ILE 85 -16.032 11.324 -4.739 628 HG13 ILE 85 HG13 ILE 85 -16.788 12.756 -4.040 629 HG21 ILE 85 HG21 ILE 85 -14.454 11.456 -6.493 630 HG22 ILE 85 HG22 ILE 85 -13.964 12.992 -7.208 631 HG23 ILE 85 HG23 ILE 85 -15.544 12.306 -7.587 632 HD11 ILE 85 HD11 ILE 85 -17.320 11.698 -6.833 633 HD12 ILE 85 HD12 ILE 85 -18.110 13.082 -6.079 634 HD13 ILE 85 HD13 ILE 85 -18.378 11.459 -5.444 635 H HIS 86 H HIS 86 -14.389 13.155 -2.110 636 HA HIS 86 HA HIS 86 -16.205 15.319 -1.496 637 HB2 HIS 86 HB2 HIS 86 -14.688 13.331 0.203 638 HB3 HIS 86 HB3 HIS 86 -15.722 14.584 0.888 639 HD1 HIS 86 HD1 HIS 86 -15.928 11.182 0.111 640 HD2 HIS 86 HD2 HIS 86 -18.423 14.412 -0.739 641 HE1 HIS 86 HE1 HIS 86 -18.206 10.208 -0.406 642 HE2 HIS 86 HE2 HIS 86 -19.741 12.162 -0.925 643 H VAL 87 H VAL 87 -12.753 14.757 -1.394 644 HA VAL 87 HA VAL 87 -12.060 16.890 0.339 645 HB VAL 87 HB VAL 87 -10.346 15.774 -1.885 646 HG11 VAL 87 HG11 VAL 87 -9.572 17.787 -0.571 647 HG12 VAL 87 HG12 VAL 87 -8.518 16.380 -0.425 648 HG13 VAL 87 HG13 VAL 87 -9.631 16.786 0.881 649 HG21 VAL 87 HG21 VAL 87 -9.621 14.086 -0.204 650 HG22 VAL 87 HG22 VAL 87 -11.322 13.904 -0.637 651 HG23 VAL 87 HG23 VAL 87 -10.876 14.666 0.890 652 H ALA 88 H ALA 88 -12.299 16.662 -3.197 653 HA ALA 88 HA ALA 88 -11.304 19.202 -3.824 654 HB1 ALA 88 HB1 ALA 88 -12.253 18.891 -5.976 655 HB2 ALA 88 HB2 ALA 88 -13.523 17.840 -5.348 656 HB3 ALA 88 HB3 ALA 88 -11.854 17.270 -5.407 657 H THR 89 H THR 89 -14.578 18.167 -2.964 658 HA THR 89 HA THR 89 -15.759 20.732 -3.475 659 HB THR 89 HB THR 89 -17.751 19.765 -2.395 660 HG1 THR 89 HG1 THR 89 -16.251 18.512 -0.919 661 HG21 THR 89 HG21 THR 89 -16.245 17.972 -4.317 662 HG22 THR 89 HG22 THR 89 -17.424 19.220 -4.721 663 HG23 THR 89 HG23 THR 89 -17.945 17.746 -3.906 664 H MET 90 H MET 90 -14.822 18.969 -0.526 665 HA MET 90 HA MET 90 -15.723 20.657 1.425 666 HB2 MET 90 HB2 MET 90 -14.487 18.524 1.806 667 HB3 MET 90 HB3 MET 90 -12.988 19.357 1.402 668 HG2 MET 90 HG2 MET 90 -14.799 20.435 3.563 669 HG3 MET 90 HG3 MET 90 -13.650 19.145 3.910 670 HE1 MET 90 HE1 MET 90 -11.632 20.166 5.345 671 HE2 MET 90 HE2 MET 90 -13.182 20.940 5.671 672 HE3 MET 90 HE3 MET 90 -11.725 21.921 5.514 673 H LEU 91 H LEU 91 -12.542 20.928 -0.181 674 HA LEU 91 HA LEU 91 -11.765 23.289 1.121 675 HB2 LEU 91 HB2 LEU 91 -10.320 21.688 -0.251 676 HB3 LEU 91 HB3 LEU 91 -10.944 22.508 -1.676 677 HG LEU 91 HG LEU 91 -10.171 24.700 -0.442 678 HD11 LEU 91 HD11 LEU 91 -8.531 22.563 0.954 679 HD12 LEU 91 HD12 LEU 91 -9.573 23.767 1.712 680 HD13 LEU 91 HD13 LEU 91 -8.089 24.266 0.907 681 HD21 LEU 91 HD21 LEU 91 -7.916 24.475 -1.436 682 HD22 LEU 91 HD22 LEU 91 -9.168 23.877 -2.526 683 HD23 LEU 91 HD23 LEU 91 -8.176 22.739 -1.612 684 H LYS 92 H LYS 92 -13.347 22.824 -2.033 685 HA LYS 92 HA LYS 92 -13.390 25.530 -2.797 686 HB2 LYS 92 HB2 LYS 92 -15.228 23.230 -3.484 687 HB3 LYS 92 HB3 LYS 92 -15.329 24.807 -4.256 688 HG2 LYS 92 HG2 LYS 92 -12.694 23.331 -4.175 689 HG3 LYS 92 HG3 LYS 92 -13.901 22.905 -5.381 690 HD2 LYS 92 HD2 LYS 92 -13.966 25.330 -6.070 691 HD3 LYS 92 HD3 LYS 92 -12.603 25.615 -4.989 692 HE2 LYS 92 HE2 LYS 92 -12.689 23.816 -7.418 693 HE3 LYS 92 HE3 LYS 92 -11.676 25.236 -7.166 694 HZ1 LYS 92 HZ1 LYS 92 -11.487 22.589 -5.864 695 HZ2 LYS 92 HZ2 LYS 92 -10.765 23.966 -5.181 696 HZ3 LYS 92 HZ3 LYS 92 -10.291 23.434 -6.723 697 H GLN 93 H GLN 93 -16.136 23.610 -1.564 698 HA GLN 93 HA GLN 93 -18.017 25.524 -1.255 699 HB2 GLN 93 HB2 GLN 93 -17.356 23.258 0.630 700 HB3 GLN 93 HB3 GLN 93 -18.825 24.228 0.755 701 HG2 GLN 93 HG2 GLN 93 -19.464 23.589 -1.524 702 HG3 GLN 93 HG3 GLN 93 -17.967 22.676 -1.705 703 HE21 GLN 93 HE21 GLN 93 -18.124 21.694 1.152 704 HE22 GLN 93 HE22 GLN 93 -19.332 20.502 1.140 705 H ALA 94 H ALA 94 -15.126 25.193 0.693 706 HA ALA 94 HA ALA 94 -15.993 26.877 2.831 707 HB1 ALA 94 HB1 ALA 94 -13.638 26.886 3.496 708 HB2 ALA 94 HB2 ALA 94 -13.178 26.199 1.938 709 HB3 ALA 94 HB3 ALA 94 -14.142 25.251 3.071 710 H ILE 95 H ILE 95 -13.451 27.488 0.397 711 HA ILE 95 HA ILE 95 -13.181 30.208 0.805 712 HB ILE 95 HB ILE 95 -13.043 28.918 -1.924 713 HG12 ILE 95 HG12 ILE 95 -11.850 27.435 -0.446 714 HG13 ILE 95 HG13 ILE 95 -10.652 28.412 -1.291 715 HG21 ILE 95 HG21 ILE 95 -11.137 30.542 -2.153 716 HG22 ILE 95 HG22 ILE 95 -11.590 31.219 -0.590 717 HG23 ILE 95 HG23 ILE 95 -12.709 31.315 -1.949 718 HD11 ILE 95 HD11 ILE 95 -9.943 28.472 0.961 719 HD12 ILE 95 HD12 ILE 95 -11.589 28.649 1.567 720 HD13 ILE 95 HD13 ILE 95 -10.798 30.000 0.755 721 H HIS 96 H HIS 96 -15.894 28.563 -0.390 722 HA HIS 96 HA HIS 96 -16.920 30.603 -2.120 723 HB2 HIS 96 HB2 HIS 96 -17.580 28.144 -2.124 724 HB3 HIS 96 HB3 HIS 96 -18.527 28.488 -0.676 725 HD1 HIS 96 HD1 HIS 96 -18.735 28.555 -4.297 726 HD2 HIS 96 HD2 HIS 96 -20.512 30.693 -1.189 727 HE1 HIS 96 HE1 HIS 96 -20.783 29.674 -5.278 728 HE2 HIS 96 HE2 HIS 96 -21.881 30.977 -3.396 729 H HIS 97 H HIS 97 -17.899 29.531 1.148 730 HA HIS 97 HA HIS 97 -19.727 31.617 1.607 731 HB2 HIS 97 HB2 HIS 97 -19.512 29.484 2.937 732 HB3 HIS 97 HB3 HIS 97 -18.097 30.188 3.718 733 HD1 HIS 97 HD1 HIS 97 -21.772 30.168 3.820 734 HD2 HIS 97 HD2 HIS 97 -18.725 32.646 5.221 735 HE1 HIS 97 HE1 HIS 97 -22.826 31.691 5.544 736 HE2 HIS 97 HE2 HIS 97 -20.983 33.209 6.410 737 H ALA 98 H ALA 98 -16.279 31.568 1.670 738 HA ALA 98 HA ALA 98 -15.487 33.423 3.483 739 HB1 ALA 98 HB1 ALA 98 -14.588 33.376 0.592 740 HB2 ALA 98 HB2 ALA 98 -13.986 32.304 1.856 741 HB3 ALA 98 HB3 ALA 98 -13.688 34.039 1.957 742 H ASN 99 H ASN 99 -16.703 34.235 0.223 743 HA ASN 99 HA ASN 99 -17.967 36.637 1.229 744 HB2 ASN 99 HB2 ASN 99 -15.615 37.371 0.942 745 HB3 ASN 99 HB3 ASN 99 -15.689 36.881 -0.750 746 HD21 ASN 99 HD21 ASN 99 -16.884 39.263 1.593 747 HD22 ASN 99 HD22 ASN 99 -17.514 40.335 0.437 748 H HIS 100 H HIS 100 -18.285 34.048 -0.456 749 HA HIS 100 HA HIS 100 -19.415 33.361 -2.344 750 HB2 HIS 100 HB2 HIS 100 -20.918 35.885 -1.615 751 HB3 HIS 100 HB3 HIS 100 -21.492 34.695 -2.783 752 HD1 HIS 100 HD1 HIS 100 -22.463 32.516 -1.878 753 HD2 HIS 100 HD2 HIS 100 -20.814 34.908 1.112 754 HE1 HIS 100 HE1 HIS 100 -23.146 31.476 0.325 755 HE2 HIS 100 HE2 HIS 100 -22.149 32.920 2.160 756 HA PRO 101 HA PRO 101 -16.755 36.226 -4.972 757 HB2 PRO 101 HB2 PRO 101 -16.674 33.509 -6.283 758 HB3 PRO 101 HB3 PRO 101 -15.389 34.724 -6.145 759 HG2 PRO 101 HG2 PRO 101 -15.410 32.624 -4.534 760 HG3 PRO 101 HG3 PRO 101 -14.995 34.226 -3.904 761 HD2 PRO 101 HD2 PRO 101 -17.531 32.659 -3.554 762 HD3 PRO 101 HD3 PRO 101 -16.742 33.782 -2.426 763 H LYS 102 H LYS 102 -16.984 36.579 -7.383 764 HA LYS 102 HA LYS 102 -19.577 37.209 -8.104 765 HB2 LYS 102 HB2 LYS 102 -17.161 36.608 -9.817 766 HB3 LYS 102 HB3 LYS 102 -18.678 37.219 -10.477 767 HG2 LYS 102 HG2 LYS 102 -18.532 39.228 -9.158 768 HG3 LYS 102 HG3 LYS 102 -17.173 38.588 -8.233 769 HD2 LYS 102 HD2 LYS 102 -15.793 38.553 -10.278 770 HD3 LYS 102 HD3 LYS 102 -17.152 39.184 -11.209 771 HE2 LYS 102 HE2 LYS 102 -15.677 41.031 -10.626 772 HE3 LYS 102 HE3 LYS 102 -17.177 41.193 -9.713 773 HZ1 LYS 102 HZ1 LYS 102 -16.171 40.598 -7.767 774 HZ2 LYS 102 HZ2 LYS 102 -14.880 41.393 -8.532 775 HZ3 LYS 102 HZ3 LYS 102 -14.950 39.695 -8.527 776 H GLU 103 H GLU 103 -18.128 34.127 -7.982 777 HA GLU 103 HA GLU 103 -19.518 32.789 -10.048 778 HB2 GLU 103 HB2 GLU 103 -18.405 31.792 -7.417 779 HB3 GLU 103 HB3 GLU 103 -19.055 30.735 -8.671 780 HG2 GLU 103 HG2 GLU 103 -17.411 31.672 -10.281 781 HG3 GLU 103 HG3 GLU 103 -16.736 32.664 -8.990 782 H ASN 9 H ASN 9 -3.262 39.444 1.134 783 HA ASN 9 HA ASN 9 -5.121 37.541 -0.167 784 HB2 ASN 9 HB2 ASN 9 -2.094 37.660 -0.312 785 HB3 ASN 9 HB3 ASN 9 -3.098 36.362 -0.954 786 HD21 ASN 9 HD21 ASN 9 -4.287 36.771 -2.928 787 HD22 ASN 9 HD22 ASN 9 -4.039 38.173 -3.853 788 H THR 10 H THR 10 -2.002 37.368 1.527 789 HA THR 10 HA THR 10 -2.532 35.150 3.072 790 HB THR 10 HB THR 10 -0.788 36.029 4.634 791 HG1 THR 10 HG1 THR 10 -1.013 38.163 4.667 792 HG21 THR 10 HG21 THR 10 -0.332 36.214 1.647 793 HG22 THR 10 HG22 THR 10 -0.020 34.834 2.701 794 HG23 THR 10 HG23 THR 10 0.981 36.281 2.823 795 H ASP 11 H ASP 11 -3.977 38.213 3.320 796 HA ASP 11 HA ASP 11 -4.610 38.076 6.146 797 HB2 ASP 11 HB2 ASP 11 -4.376 40.249 5.009 798 HB3 ASP 11 HB3 ASP 11 -5.730 39.843 3.957 799 H THR 12 H THR 12 -6.614 38.070 3.188 800 HA THR 12 HA THR 12 -9.002 37.232 4.324 801 HB THR 12 HB THR 12 -9.554 36.348 2.058 802 HG1 THR 12 HG1 THR 12 -6.973 37.189 1.311 803 HG21 THR 12 HG21 THR 12 -9.628 38.809 2.677 804 HG22 THR 12 HG22 THR 12 -9.449 38.481 0.953 805 HG23 THR 12 HG23 THR 12 -8.050 38.972 1.907 806 H LEU 13 H LEU 13 -6.080 35.504 3.927 807 HA LEU 13 HA LEU 13 -7.152 32.865 3.801 808 HB2 LEU 13 HB2 LEU 13 -4.905 33.242 3.035 809 HB3 LEU 13 HB3 LEU 13 -4.435 33.947 4.577 810 HG LEU 13 HG LEU 13 -4.621 31.821 5.694 811 HD11 LEU 13 HD11 LEU 13 -6.550 30.814 4.754 812 HD12 LEU 13 HD12 LEU 13 -5.229 29.774 4.228 813 HD13 LEU 13 HD13 LEU 13 -5.924 30.949 3.111 814 HD21 LEU 13 HD21 LEU 13 -3.292 31.458 2.993 815 HD22 LEU 13 HD22 LEU 13 -2.965 30.496 4.434 816 HD23 LEU 13 HD23 LEU 13 -2.553 32.211 4.405 817 H GLU 14 H GLU 14 -5.544 34.641 6.477 818 HA GLU 14 HA GLU 14 -5.934 32.824 8.499 819 HB2 GLU 14 HB2 GLU 14 -4.750 35.121 8.528 820 HB3 GLU 14 HB3 GLU 14 -6.329 35.786 8.939 821 HG2 GLU 14 HG2 GLU 14 -5.237 35.371 11.021 822 HG3 GLU 14 HG3 GLU 14 -6.407 34.066 10.829 823 H ARG 15 H ARG 15 -8.330 34.577 6.788 824 HA ARG 15 HA ARG 15 -10.325 34.594 8.854 825 HB2 ARG 15 HB2 ARG 15 -10.780 34.771 5.870 826 HB3 ARG 15 HB3 ARG 15 -11.833 35.361 7.155 827 HG2 ARG 15 HG2 ARG 15 -9.030 36.379 6.603 828 HG3 ARG 15 HG3 ARG 15 -10.516 37.191 6.113 829 HD2 ARG 15 HD2 ARG 15 -11.152 37.064 8.637 830 HD3 ARG 15 HD3 ARG 15 -9.433 36.763 8.891 831 HE ARG 15 HE ARG 15 -9.895 39.058 7.229 832 HH11 ARG 15 HH21 ARG 15 -9.829 37.851 10.471 833 HH12 ARG 15 HH22 ARG 15 -9.488 39.391 11.186 834 HH21 ARG 15 HH11 ARG 15 -9.442 41.082 8.158 835 HH22 ARG 15 HH12 ARG 15 -9.265 41.221 9.875 836 H VAL 16 H VAL 16 -10.235 32.807 5.758 837 HA VAL 16 HA VAL 16 -12.337 31.107 6.236 838 HB VAL 16 HB VAL 16 -11.133 29.491 4.691 839 HG11 VAL 16 HG11 VAL 16 -11.153 31.160 2.778 840 HG12 VAL 16 HG12 VAL 16 -11.449 32.417 3.978 841 HG13 VAL 16 HG13 VAL 16 -12.626 31.122 3.748 842 HG21 VAL 16 HG21 VAL 16 -9.022 30.092 3.781 843 HG22 VAL 16 HG22 VAL 16 -8.840 30.312 5.521 844 HG23 VAL 16 HG23 VAL 16 -9.093 31.711 4.477 845 H THR 17 H THR 17 -9.250 31.091 7.763 846 HA THR 17 HA THR 17 -9.315 28.335 8.599 847 HB THR 17 HB THR 17 -7.441 28.966 10.058 848 HG1 THR 17 HG1 THR 17 -6.791 31.289 9.648 849 HG21 THR 17 HG21 THR 17 -5.890 29.505 8.319 850 HG22 THR 17 HG22 THR 17 -7.129 30.343 7.382 851 HG23 THR 17 HG23 THR 17 -7.183 28.588 7.546 852 H GLU 18 H GLU 18 -10.496 31.386 9.817 853 HA GLU 18 HA GLU 18 -10.984 30.527 12.497 854 HB2 GLU 18 HB2 GLU 18 -12.058 32.810 10.836 855 HB3 GLU 18 HB3 GLU 18 -12.532 32.544 12.513 856 HG2 GLU 18 HG2 GLU 18 -10.142 32.634 13.181 857 HG3 GLU 18 HG3 GLU 18 -9.702 32.962 11.506 858 H ILE 19 H ILE 19 -12.536 29.935 9.510 859 HA ILE 19 HA ILE 19 -15.218 29.625 10.383 860 HB ILE 19 HB ILE 19 -13.747 28.241 8.125 861 HG12 ILE 19 HG12 ILE 19 -15.621 30.625 8.079 862 HG13 ILE 19 HG13 ILE 19 -13.863 30.764 8.073 863 HG21 ILE 19 HG21 ILE 19 -16.121 27.976 7.244 864 HG22 ILE 19 HG22 ILE 19 -16.682 28.440 8.850 865 HG23 ILE 19 HG23 ILE 19 -15.727 26.973 8.638 866 HD11 ILE 19 HD11 ILE 19 -15.591 29.410 5.985 867 HD12 ILE 19 HD12 ILE 19 -13.832 29.312 6.011 868 HD13 ILE 19 HD13 ILE 19 -14.626 30.870 5.777 869 H PHE 20 H PHE 20 -12.529 27.312 10.086 870 HA PHE 20 HA PHE 20 -14.004 25.066 11.014 871 HB2 PHE 20 HB2 PHE 20 -11.015 25.554 11.054 872 HB3 PHE 20 HB3 PHE 20 -11.809 23.991 11.255 873 HD1 PHE 20 HD1 PHE 20 -13.426 23.236 9.367 874 HD2 PHE 20 HD2 PHE 20 -10.472 26.317 8.888 875 HE1 PHE 20 HE1 PHE 20 -13.544 22.967 6.904 876 HE2 PHE 20 HE2 PHE 20 -10.589 26.047 6.425 877 HZ PHE 20 HZ PHE 20 -12.125 24.372 5.433 878 H LYS 21 H LYS 21 -11.393 26.867 12.668 879 HA LYS 21 HA LYS 21 -11.617 25.776 15.177 880 HB2 LYS 21 HB2 LYS 21 -11.062 28.658 14.433 881 HB3 LYS 21 HB3 LYS 21 -10.793 27.977 16.037 882 HG2 LYS 21 HG2 LYS 21 -9.289 26.261 14.993 883 HG3 LYS 21 HG3 LYS 21 -9.470 27.103 13.453 884 HD2 LYS 21 HD2 LYS 21 -8.677 29.207 14.680 885 HD3 LYS 21 HD3 LYS 21 -8.207 28.136 16.000 886 HE2 LYS 21 HE2 LYS 21 -7.229 27.968 13.133 887 HE3 LYS 21 HE3 LYS 21 -6.292 28.529 14.519 888 HZ1 LYS 21 HZ1 LYS 21 -7.291 25.802 13.963 889 HZ2 LYS 21 HZ2 LYS 21 -6.808 26.276 15.521 890 HZ3 LYS 21 HZ3 LYS 21 -5.694 26.305 14.239 891 H ALA 22 H ALA 22 -13.743 28.087 13.630 892 HA ALA 22 HA ALA 22 -15.147 28.861 15.998 893 HB1 ALA 22 HB1 ALA 22 -15.801 29.073 13.056 894 HB2 ALA 22 HB2 ALA 22 -15.244 30.351 14.135 895 HB3 ALA 22 HB3 ALA 22 -16.866 29.686 14.320 896 H LEU 23 H LEU 23 -14.912 25.911 14.784 897 HA LEU 23 HA LEU 23 -17.674 25.134 15.540 898 HB2 LEU 23 HB2 LEU 23 -17.045 25.082 13.003 899 HB3 LEU 23 HB3 LEU 23 -16.087 23.676 13.435 900 HG LEU 23 HG LEU 23 -18.312 22.860 14.606 901 HD11 LEU 23 HD11 LEU 23 -19.332 24.889 12.595 902 HD12 LEU 23 HD12 LEU 23 -19.643 24.873 14.331 903 HD13 LEU 23 HD13 LEU 23 -20.319 23.615 13.304 904 HD21 LEU 23 HD21 LEU 23 -17.958 22.917 11.595 905 HD22 LEU 23 HD22 LEU 23 -19.045 21.830 12.460 906 HD23 LEU 23 HD23 LEU 23 -17.303 21.712 12.703 907 H GLY 24 H GLY 24 -14.799 25.198 16.714 908 HA2 GLY 24 HA2 GLY 24 -14.367 22.361 17.316 909 HA3 GLY 24 HA3 GLY 24 -13.328 23.704 17.777 910 H ASP 25 H ASP 25 -16.599 22.416 18.401 911 HA ASP 25 HA ASP 25 -16.184 22.559 21.250 912 HB2 ASP 25 HB2 ASP 25 -18.008 24.520 19.861 913 HB3 ASP 25 HB3 ASP 25 -18.238 24.068 21.548 914 H TYR 26 H TYR 26 -16.949 20.646 21.797 915 HA TYR 26 HA TYR 26 -18.575 18.933 20.465 916 HB2 TYR 26 HB2 TYR 26 -17.385 18.419 22.580 917 HB3 TYR 26 HB3 TYR 26 -18.595 19.345 23.465 918 HD1 TYR 26 HD1 TYR 26 -21.009 18.613 23.408 919 HD2 TYR 26 HD2 TYR 26 -17.821 16.183 21.865 920 HE1 TYR 26 HE1 TYR 26 -22.478 16.617 23.517 921 HE2 TYR 26 HE2 TYR 26 -19.289 14.187 21.975 922 HH TYR 26 HH TYR 26 -21.451 13.508 22.202 923 H ASN 27 H ASN 27 -19.800 21.049 23.072 924 HA ASN 27 HA ASN 27 -22.487 20.439 22.752 925 HB2 ASN 27 HB2 ASN 27 -22.933 22.554 23.949 926 HB3 ASN 27 HB3 ASN 27 -21.632 21.631 24.700 927 HD21 ASN 27 HD21 ASN 27 -19.340 22.267 23.610 928 HD22 ASN 27 HD22 ASN 27 -19.084 23.939 23.463 929 H ARG 28 H ARG 28 -20.511 22.698 20.933 930 HA ARG 28 HA ARG 28 -22.685 24.147 19.786 931 HB2 ARG 28 HB2 ARG 28 -20.311 24.964 19.947 932 HB3 ARG 28 HB3 ARG 28 -19.895 23.824 18.667 933 HG2 ARG 28 HG2 ARG 28 -21.351 24.919 17.103 934 HG3 ARG 28 HG3 ARG 28 -22.074 25.908 18.372 935 HD2 ARG 28 HD2 ARG 28 -20.242 26.981 16.867 936 HD3 ARG 28 HD3 ARG 28 -20.152 27.236 18.609 937 HE ARG 28 HE ARG 28 -18.671 24.931 17.651 938 HH11 ARG 28 HH21 ARG 28 -18.687 28.309 18.391 939 HH12 ARG 28 HH22 ARG 28 -16.967 28.423 18.558 940 HH21 ARG 28 HH11 ARG 28 -16.413 25.070 17.868 941 HH22 ARG 28 HH12 ARG 28 -15.680 26.591 18.257 942 H ILE 29 H ILE 29 -20.717 21.409 18.681 943 HA ILE 29 HA ILE 29 -21.672 21.251 16.063 944 HB ILE 29 HB ILE 29 -20.766 19.021 17.898 945 HG12 ILE 29 HG12 ILE 29 -19.247 20.498 15.732 946 HG13 ILE 29 HG13 ILE 29 -19.179 20.953 17.435 947 HG21 ILE 29 HG21 ILE 29 -21.261 19.154 14.916 948 HG22 ILE 29 HG22 ILE 29 -21.937 18.010 16.075 949 HG23 ILE 29 HG23 ILE 29 -20.227 17.928 15.651 950 HD11 ILE 29 HD11 ILE 29 -18.407 18.656 17.993 951 HD12 ILE 29 HD12 ILE 29 -17.298 19.474 16.892 952 HD13 ILE 29 HD13 ILE 29 -18.414 18.255 16.275 953 H ARG 30 H ARG 30 -23.113 20.153 19.072 954 HA ARG 30 HA ARG 30 -25.126 18.546 17.798 955 HB2 ARG 30 HB2 ARG 30 -24.119 18.505 20.256 956 HB3 ARG 30 HB3 ARG 30 -25.436 19.618 20.595 957 HG2 ARG 30 HG2 ARG 30 -25.682 16.827 19.433 958 HG3 ARG 30 HG3 ARG 30 -26.148 17.333 21.053 959 HD2 ARG 30 HD2 ARG 30 -27.670 19.064 19.763 960 HD3 ARG 30 HD3 ARG 30 -27.484 17.926 18.431 961 HE ARG 30 HE ARG 30 -28.203 16.490 20.747 962 HH11 ARG 30 HH21 ARG 30 -29.441 18.814 18.502 963 HH12 ARG 30 HH22 ARG 30 -31.093 18.331 18.700 964 HH21 ARG 30 HH11 ARG 30 -30.368 15.851 21.013 965 HH22 ARG 30 HH12 ARG 30 -31.618 16.656 20.124 966 H ILE 31 H ILE 31 -24.856 21.857 18.934 967 HA ILE 31 HA ILE 31 -27.649 22.479 18.700 968 HB ILE 31 HB ILE 31 -25.195 24.250 18.803 969 HG12 ILE 31 HG12 ILE 31 -27.300 23.696 20.910 970 HG13 ILE 31 HG13 ILE 31 -25.787 22.795 20.805 971 HG21 ILE 31 HG21 ILE 31 -26.943 25.999 19.447 972 HG22 ILE 31 HG22 ILE 31 -28.156 24.880 18.823 973 HG23 ILE 31 HG23 ILE 31 -26.920 25.531 17.746 974 HD11 ILE 31 HD11 ILE 31 -25.644 24.694 22.412 975 HD12 ILE 31 HD12 ILE 31 -25.991 25.809 21.089 976 HD13 ILE 31 HD13 ILE 31 -24.503 24.861 21.078 977 H MET 32 H MET 32 -24.873 22.545 16.558 978 HA MET 32 HA MET 32 -26.164 24.047 14.474 979 HB2 MET 32 HB2 MET 32 -23.698 22.293 14.501 980 HB3 MET 32 HB3 MET 32 -24.237 23.205 13.091 981 HG2 MET 32 HG2 MET 32 -23.740 24.497 15.781 982 HG3 MET 32 HG3 MET 32 -22.493 24.364 14.543 983 HE1 MET 32 HE1 MET 32 -21.956 26.413 13.341 984 HE2 MET 32 HE2 MET 32 -22.384 26.991 14.950 985 HE3 MET 32 HE3 MET 32 -22.935 27.870 13.525 986 H GLU 33 H GLU 33 -25.853 20.666 15.339 987 HA GLU 33 HA GLU 33 -26.612 19.458 12.934 988 HB2 GLU 33 HB2 GLU 33 -25.798 18.338 15.082 989 HB3 GLU 33 HB3 GLU 33 -27.457 18.474 15.661 990 HG2 GLU 33 HG2 GLU 33 -28.177 17.299 13.524 991 HG3 GLU 33 HG3 GLU 33 -26.471 16.967 13.229 992 H LEU 34 H LEU 34 -28.545 20.961 15.468 993 HA LEU 34 HA LEU 34 -31.065 20.064 14.476 994 HB2 LEU 34 HB2 LEU 34 -30.610 20.879 16.821 995 HB3 LEU 34 HB3 LEU 34 -30.502 22.506 16.165 996 HG LEU 34 HG LEU 34 -32.857 22.037 15.160 997 HD11 LEU 34 HD11 LEU 34 -33.093 19.680 15.530 998 HD12 LEU 34 HD12 LEU 34 -34.183 20.473 16.658 999 HD13 LEU 34 HD13 LEU 34 -32.644 19.834 17.229 1000 HD21 LEU 34 HD21 LEU 34 -32.476 22.303 18.154 1001 HD22 LEU 34 HD22 LEU 34 -33.942 22.728 17.272 1002 HD23 LEU 34 HD23 LEU 34 -32.450 23.624 16.987 1003 H LEU 35 H LEU 35 -29.369 23.206 14.250 1004 HA LEU 35 HA LEU 35 -31.200 24.611 12.740 1005 HB2 LEU 35 HB2 LEU 35 -28.215 24.676 12.251 1006 HB3 LEU 35 HB3 LEU 35 -29.376 25.962 11.931 1007 HG LEU 35 HG LEU 35 -28.748 24.843 14.678 1008 HD11 LEU 35 HD11 LEU 35 -28.004 27.544 13.535 1009 HD12 LEU 35 HD12 LEU 35 -26.907 26.163 13.522 1010 HD13 LEU 35 HD13 LEU 35 -27.465 26.831 15.056 1011 HD21 LEU 35 HD21 LEU 35 -29.959 27.057 15.307 1012 HD22 LEU 35 HD22 LEU 35 -30.945 25.698 14.787 1013 HD23 LEU 35 HD23 LEU 35 -30.591 27.009 13.662 1014 H SER 36 H SER 36 -29.304 21.880 11.810 1015 HA SER 36 HA SER 36 -29.591 22.280 8.961 1016 HB2 SER 36 HB2 SER 36 -28.421 20.260 8.719 1017 HB3 SER 36 HB3 SER 36 -27.764 20.921 10.216 1018 HG SER 36 HG SER 36 -28.379 19.088 11.025 1019 H VAL 37 H VAL 37 -31.199 20.438 11.505 1020 HA VAL 37 HA VAL 37 -33.021 19.136 9.661 1021 HB VAL 37 HB VAL 37 -33.041 19.260 12.686 1022 HG11 VAL 37 HG11 VAL 37 -35.217 18.635 11.924 1023 HG12 VAL 37 HG12 VAL 37 -34.404 17.125 12.331 1024 HG13 VAL 37 HG13 VAL 37 -34.555 17.618 10.645 1025 HG21 VAL 37 HG21 VAL 37 -30.987 18.234 11.771 1026 HG22 VAL 37 HG22 VAL 37 -31.968 17.156 10.778 1027 HG23 VAL 37 HG23 VAL 37 -32.012 17.021 12.537 1028 H SER 38 H SER 38 -33.309 21.568 12.262 1029 HA SER 38 HA SER 38 -35.348 22.992 10.812 1030 HB2 SER 38 HB2 SER 38 -36.773 21.233 11.639 1031 HB3 SER 38 HB3 SER 38 -36.108 21.393 13.264 1032 HG SER 38 HG SER 38 -37.626 22.798 13.555 1033 H GLU 39 H GLU 39 -35.689 25.026 11.594 1034 HA GLU 39 HA GLU 39 -33.699 26.152 13.284 1035 HB2 GLU 39 HB2 GLU 39 -35.057 28.227 13.104 1036 HB3 GLU 39 HB3 GLU 39 -34.754 27.479 11.535 1037 HG2 GLU 39 HG2 GLU 39 -37.001 26.311 11.795 1038 HG3 GLU 39 HG3 GLU 39 -37.294 27.364 13.178 1039 H ALA 40 H ALA 40 -34.230 27.488 15.236 1040 HA ALA 40 HA ALA 40 -36.516 26.657 16.826 1041 HB1 ALA 40 HB1 ALA 40 -34.992 25.923 18.721 1042 HB2 ALA 40 HB2 ALA 40 -33.692 25.847 17.532 1043 HB3 ALA 40 HB3 ALA 40 -35.105 24.806 17.360 1044 H SER 41 H SER 41 -36.744 27.899 18.769 1045 HA SER 41 HA SER 41 -35.513 30.560 18.554 1046 HB2 SER 41 HB2 SER 41 -37.884 29.498 20.099 1047 HB3 SER 41 HB3 SER 41 -37.280 31.147 20.250 1048 HG SER 41 HG SER 41 -37.686 30.194 17.678 1049 H VAL 42 H VAL 42 -35.321 31.639 20.836 1050 HA VAL 42 HA VAL 42 -33.109 30.508 22.133 1051 HB VAL 42 HB VAL 42 -35.071 32.592 23.118 1052 HG11 VAL 42 HG11 VAL 42 -32.374 31.684 24.145 1053 HG12 VAL 42 HG12 VAL 42 -33.895 31.773 25.033 1054 HG13 VAL 42 HG13 VAL 42 -33.066 33.254 24.552 1055 HG21 VAL 42 HG21 VAL 42 -33.750 32.990 20.958 1056 HG22 VAL 42 HG22 VAL 42 -32.301 32.974 21.963 1057 HG23 VAL 42 HG23 VAL 42 -33.545 34.196 22.229 1058 H GLY 43 H GLY 43 -36.429 30.862 23.423 1059 HA2 GLY 43 HA2 GLY 43 -36.009 29.396 25.759 1060 HA3 GLY 43 HA3 GLY 43 -37.577 29.632 24.994 1061 H HIS 44 H HIS 44 -36.942 28.296 22.526 1062 HA HIS 44 HA HIS 44 -37.579 25.643 23.357 1063 HB2 HIS 44 HB2 HIS 44 -37.049 26.844 20.636 1064 HB3 HIS 44 HB3 HIS 44 -37.578 25.180 20.889 1065 HD1 HIS 44 HD1 HIS 44 -38.756 28.366 22.622 1066 HD2 HIS 44 HD2 HIS 44 -40.280 25.268 20.287 1067 HE1 HIS 44 HE1 HIS 44 -41.254 28.743 22.477 1068 HE2 HIS 44 HE2 HIS 44 -42.199 26.866 21.053 1069 H ILE 45 H ILE 45 -34.699 27.089 21.822 1070 HA ILE 45 HA ILE 45 -33.414 24.555 21.490 1071 HB ILE 45 HB ILE 45 -32.979 26.709 20.172 1072 HG12 ILE 45 HG12 ILE 45 -30.379 26.151 20.187 1073 HG13 ILE 45 HG13 ILE 45 -30.877 24.816 21.215 1074 HG21 ILE 45 HG21 ILE 45 -31.089 27.276 22.463 1075 HG22 ILE 45 HG22 ILE 45 -32.638 28.089 22.248 1076 HG23 ILE 45 HG23 ILE 45 -31.375 28.264 21.034 1077 HD11 ILE 45 HD11 ILE 45 -31.000 23.852 19.110 1078 HD12 ILE 45 HD12 ILE 45 -31.515 25.349 18.337 1079 HD13 ILE 45 HD13 ILE 45 -32.660 24.414 19.295 1080 H SER 46 H SER 46 -33.847 26.622 24.175 1081 HA SER 46 HA SER 46 -31.463 26.147 25.595 1082 HB2 SER 46 HB2 SER 46 -34.255 26.645 26.658 1083 HB3 SER 46 HB3 SER 46 -32.759 26.823 27.573 1084 HG SER 46 HG SER 46 -33.886 28.461 25.676 1085 H HIS 47 H HIS 47 -34.648 24.684 26.285 1086 HA HIS 47 HA HIS 47 -33.722 22.698 27.997 1087 HB2 HIS 47 HB2 HIS 47 -36.080 22.355 26.139 1088 HB3 HIS 47 HB3 HIS 47 -35.855 21.662 27.745 1089 HD1 HIS 47 HD1 HIS 47 -37.124 24.647 26.005 1090 HD2 HIS 47 HD2 HIS 47 -35.968 23.675 29.891 1091 HE1 HIS 47 HE1 HIS 47 -38.054 26.462 27.503 1092 HE2 HIS 47 HE2 HIS 47 -37.355 25.888 29.875 1093 H GLN 48 H GLN 48 -33.344 22.955 24.626 1094 HA GLN 48 HA GLN 48 -33.022 20.089 24.151 1095 HB2 GLN 48 HB2 GLN 48 -32.686 22.505 22.363 1096 HB3 GLN 48 HB3 GLN 48 -32.445 20.840 21.834 1097 HG2 GLN 48 HG2 GLN 48 -34.754 20.286 22.442 1098 HG3 GLN 48 HG3 GLN 48 -35.005 21.922 23.049 1099 HE21 GLN 48 HE21 GLN 48 -33.072 21.406 20.146 1100 HE22 GLN 48 HE22 GLN 48 -34.212 22.036 19.058 1101 H LEU 49 H LEU 49 -31.137 22.295 25.647 1102 HA LEU 49 HA LEU 49 -28.779 20.730 25.311 1103 HB2 LEU 49 HB2 LEU 49 -29.007 22.324 23.221 1104 HB3 LEU 49 HB3 LEU 49 -28.416 23.550 24.326 1105 HG LEU 49 HG LEU 49 -26.511 22.659 23.203 1106 HD11 LEU 49 HD11 LEU 49 -25.167 21.937 25.034 1107 HD12 LEU 49 HD12 LEU 49 -26.555 21.252 25.876 1108 HD13 LEU 49 HD13 LEU 49 -26.396 23.004 25.712 1109 HD21 LEU 49 HD21 LEU 49 -26.990 19.842 24.136 1110 HD22 LEU 49 HD22 LEU 49 -26.054 20.438 22.772 1111 HD23 LEU 49 HD23 LEU 49 -27.809 20.411 22.685 1112 H ASN 50 H ASN 50 -29.389 24.190 25.944 1113 HA ASN 50 HA ASN 50 -28.200 23.849 28.652 1114 HB2 ASN 50 HB2 ASN 50 -26.812 25.154 27.043 1115 HB3 ASN 50 HB3 ASN 50 -28.140 26.302 26.885 1116 HD21 ASN 50 HD21 ASN 50 -28.090 28.019 28.342 1117 HD22 ASN 50 HD22 ASN 50 -27.229 28.024 29.805 1118 H LEU 51 H LEU 51 -29.111 24.966 30.353 1119 HA LEU 51 HA LEU 51 -31.944 25.508 30.101 1120 HB2 LEU 51 HB2 LEU 51 -30.158 25.880 32.517 1121 HB3 LEU 51 HB3 LEU 51 -31.911 25.771 32.503 1122 HG LEU 51 HG LEU 51 -31.077 23.647 33.213 1123 HD11 LEU 51 HD11 LEU 51 -32.182 22.219 31.713 1124 HD12 LEU 51 HD12 LEU 51 -31.730 23.187 30.312 1125 HD13 LEU 51 HD13 LEU 51 -32.944 23.785 31.444 1126 HD21 LEU 51 HD21 LEU 51 -29.309 22.486 32.345 1127 HD22 LEU 51 HD22 LEU 51 -28.779 24.105 31.913 1128 HD23 LEU 51 HD23 LEU 51 -29.544 23.074 30.707 1129 H SER 52 H SER 52 -29.223 27.397 31.442 1130 HA SER 52 HA SER 52 -30.585 29.844 31.552 1131 HB2 SER 52 HB2 SER 52 -28.510 29.515 32.759 1132 HB3 SER 52 HB3 SER 52 -27.628 29.266 31.253 1133 HG SER 52 HG SER 52 -28.699 31.611 32.346 1134 H GLN 53 H GLN 53 -31.101 31.338 30.075 1135 HA GLN 53 HA GLN 53 -30.584 30.810 27.276 1136 HB2 GLN 53 HB2 GLN 53 -31.949 33.188 28.559 1137 HB3 GLN 53 HB3 GLN 53 -32.034 32.711 26.863 1138 HG2 GLN 53 HG2 GLN 53 -34.031 31.869 27.847 1139 HG3 GLN 53 HG3 GLN 53 -32.965 30.472 27.701 1140 HE21 GLN 53 HE21 GLN 53 -33.638 29.265 29.533 1141 HE22 GLN 53 HE22 GLN 53 -33.532 29.848 31.123 1142 H SER 54 H SER 54 -29.563 33.150 29.712 1143 HA SER 54 HA SER 54 -28.295 35.026 28.106 1144 HB2 SER 54 HB2 SER 54 -28.541 35.481 30.438 1145 HB3 SER 54 HB3 SER 54 -27.642 34.031 30.883 1146 HG SER 54 HG SER 54 -25.807 34.993 30.411 1147 H ASN 55 H ASN 55 -27.273 31.807 28.998 1148 HA ASN 55 HA ASN 55 -24.521 32.143 28.269 1149 HB2 ASN 55 HB2 ASN 55 -26.252 29.702 28.694 1150 HB3 ASN 55 HB3 ASN 55 -24.539 29.610 28.288 1151 HD21 ASN 55 HD21 ASN 55 -24.917 28.494 30.658 1152 HD22 ASN 55 HD22 ASN 55 -24.564 29.533 31.953 1153 H VAL 56 H VAL 56 -27.364 30.733 26.662 1154 HA VAL 56 HA VAL 56 -25.966 30.027 24.275 1155 HB VAL 56 HB VAL 56 -28.916 30.424 24.831 1156 HG11 VAL 56 HG11 VAL 56 -29.117 28.975 22.729 1157 HG12 VAL 56 HG12 VAL 56 -27.431 29.381 22.410 1158 HG13 VAL 56 HG13 VAL 56 -28.649 30.655 22.468 1159 HG21 VAL 56 HG21 VAL 56 -27.986 28.602 26.116 1160 HG22 VAL 56 HG22 VAL 56 -27.093 28.005 24.717 1161 HG23 VAL 56 HG23 VAL 56 -28.854 27.898 24.752 1162 H SER 57 H SER 57 -27.879 32.832 25.277 1163 HA SER 57 HA SER 57 -28.095 34.175 22.842 1164 HB2 SER 57 HB2 SER 57 -29.265 35.142 24.634 1165 HB3 SER 57 HB3 SER 57 -27.854 35.115 25.691 1166 HG SER 57 HG SER 57 -28.615 37.154 24.434 1167 H HIS 58 H HIS 58 -25.372 33.817 25.016 1168 HA HIS 58 HA HIS 58 -23.735 35.815 23.753 1169 HB2 HIS 58 HB2 HIS 58 -23.376 35.139 26.093 1170 HB3 HIS 58 HB3 HIS 58 -22.972 33.507 25.562 1171 HD1 HIS 58 HD1 HIS 58 -20.973 33.639 23.520 1172 HD2 HIS 58 HD2 HIS 58 -21.080 36.616 26.437 1173 HE1 HIS 58 HE1 HIS 58 -18.677 34.702 23.541 1174 HE2 HIS 58 HE2 HIS 58 -18.723 36.519 25.313 1175 H GLN 59 H GLN 59 -24.228 32.351 23.391 1176 HA GLN 59 HA GLN 59 -21.949 31.850 21.768 1177 HB2 GLN 59 HB2 GLN 59 -24.558 30.380 22.160 1178 HB3 GLN 59 HB3 GLN 59 -23.284 29.785 21.096 1179 HG2 GLN 59 HG2 GLN 59 -21.698 29.769 22.963 1180 HG3 GLN 59 HG3 GLN 59 -22.927 30.434 24.037 1181 HE21 GLN 59 HE21 GLN 59 -22.651 28.418 25.362 1182 HE22 GLN 59 HE22 GLN 59 -23.415 26.987 24.863 1183 H LEU 60 H LEU 60 -25.406 32.089 20.849 1184 HA LEU 60 HA LEU 60 -25.108 31.984 18.107 1185 HB2 LEU 60 HB2 LEU 60 -27.062 33.824 19.494 1186 HB3 LEU 60 HB3 LEU 60 -27.250 33.029 17.932 1187 HG LEU 60 HG LEU 60 -27.157 31.688 20.648 1188 HD11 LEU 60 HD11 LEU 60 -29.315 32.091 18.566 1189 HD12 LEU 60 HD12 LEU 60 -29.310 32.663 20.235 1190 HD13 LEU 60 HD13 LEU 60 -29.461 30.939 19.893 1191 HD21 LEU 60 HD21 LEU 60 -27.080 30.576 17.841 1192 HD22 LEU 60 HD22 LEU 60 -27.737 29.631 19.176 1193 HD23 LEU 60 HD23 LEU 60 -26.058 30.162 19.217 1194 H LYS 61 H LYS 61 -24.362 34.619 20.274 1195 HA LYS 61 HA LYS 61 -24.190 36.616 18.205 1196 HB2 LYS 61 HB2 LYS 61 -23.305 36.518 21.090 1197 HB3 LYS 61 HB3 LYS 61 -22.974 37.903 20.050 1198 HG2 LYS 61 HG2 LYS 61 -25.325 38.280 19.678 1199 HG3 LYS 61 HG3 LYS 61 -25.749 36.761 20.466 1200 HD2 LYS 61 HD2 LYS 61 -24.739 37.650 22.585 1201 HD3 LYS 61 HD3 LYS 61 -24.508 39.199 21.774 1202 HE2 LYS 61 HE2 LYS 61 -26.965 39.274 21.314 1203 HE3 LYS 61 HE3 LYS 61 -27.153 37.793 22.253 1204 HZ1 LYS 61 HZ1 LYS 61 -25.788 39.240 23.980 1205 HZ2 LYS 61 HZ2 LYS 61 -27.485 39.285 23.896 1206 HZ3 LYS 61 HZ3 LYS 61 -26.564 40.502 23.150 1207 H LEU 62 H LEU 62 -21.828 34.712 20.075 1208 HA LEU 62 HA LEU 62 -19.473 35.729 19.081 1209 HB2 LEU 62 HB2 LEU 62 -19.602 33.998 20.832 1210 HB3 LEU 62 HB3 LEU 62 -20.111 32.818 19.629 1211 HG LEU 62 HG LEU 62 -17.958 33.136 18.429 1212 HD11 LEU 62 HD11 LEU 62 -17.196 35.298 18.909 1213 HD12 LEU 62 HD12 LEU 62 -16.147 34.318 19.924 1214 HD13 LEU 62 HD13 LEU 62 -17.531 35.146 20.635 1215 HD21 LEU 62 HD21 LEU 62 -17.647 32.496 21.375 1216 HD22 LEU 62 HD22 LEU 62 -16.579 31.962 20.079 1217 HD23 LEU 62 HD23 LEU 62 -18.241 31.375 20.150 1218 H LEU 63 H LEU 63 -21.525 33.207 17.635 1219 HA LEU 63 HA LEU 63 -19.872 32.821 15.339 1220 HB2 LEU 63 HB2 LEU 63 -22.836 32.269 15.465 1221 HB3 LEU 63 HB3 LEU 63 -21.604 31.427 14.524 1222 HG LEU 63 HG LEU 63 -21.851 31.426 17.549 1223 HD11 LEU 63 HD11 LEU 63 -23.539 30.023 16.525 1224 HD12 LEU 63 HD12 LEU 63 -22.267 28.970 17.147 1225 HD13 LEU 63 HD13 LEU 63 -22.354 29.325 15.421 1226 HD21 LEU 63 HD21 LEU 63 -19.527 31.279 17.065 1227 HD22 LEU 63 HD22 LEU 63 -19.805 30.264 15.649 1228 HD23 LEU 63 HD23 LEU 63 -20.047 29.607 17.267 1229 H LYS 64 H LYS 64 -22.335 35.109 16.194 1230 HA LYS 64 HA LYS 64 -22.895 35.982 13.507 1231 HB2 LYS 64 HB2 LYS 64 -24.458 36.252 15.477 1232 HB3 LYS 64 HB3 LYS 64 -23.365 37.493 16.087 1233 HG2 LYS 64 HG2 LYS 64 -23.725 38.874 14.151 1234 HG3 LYS 64 HG3 LYS 64 -24.594 37.583 13.320 1235 HD2 LYS 64 HD2 LYS 64 -26.355 37.664 15.057 1236 HD3 LYS 64 HD3 LYS 64 -25.492 38.972 15.863 1237 HE2 LYS 64 HE2 LYS 64 -27.225 39.955 14.481 1238 HE3 LYS 64 HE3 LYS 64 -25.665 40.305 13.736 1239 HZ1 LYS 64 HZ1 LYS 64 -26.914 37.820 12.918 1240 HZ2 LYS 64 HZ2 LYS 64 -26.102 38.988 11.990 1241 HZ3 LYS 64 HZ3 LYS 64 -27.725 39.230 12.431 1242 H SER 65 H SER 65 -20.295 36.324 15.602 1243 HA SER 65 HA SER 65 -19.490 38.989 15.167 1244 HB2 SER 65 HB2 SER 65 -17.361 38.319 16.022 1245 HB3 SER 65 HB3 SER 65 -18.570 37.372 16.888 1246 HG SER 65 HG SER 65 -16.592 36.335 15.799 1247 H VAL 66 H VAL 66 -18.170 36.031 13.637 1248 HA VAL 66 HA VAL 66 -16.689 37.470 11.701 1249 HB VAL 66 HB VAL 66 -17.654 34.624 11.392 1250 HG11 VAL 66 HG11 VAL 66 -15.020 35.925 10.655 1251 HG12 VAL 66 HG12 VAL 66 -16.381 35.805 9.541 1252 HG13 VAL 66 HG13 VAL 66 -15.611 34.341 10.152 1253 HG21 VAL 66 HG21 VAL 66 -15.406 35.724 13.105 1254 HG22 VAL 66 HG22 VAL 66 -15.581 34.022 12.682 1255 HG23 VAL 66 HG23 VAL 66 -16.812 34.818 13.661 1256 H HIS 67 H HIS 67 -19.368 35.235 10.978 1257 HA HIS 67 HA HIS 67 -21.049 37.021 9.649 1258 HB2 HIS 67 HB2 HIS 67 -20.493 36.271 7.248 1259 HB3 HIS 67 HB3 HIS 67 -19.426 37.464 7.978 1260 HD1 HIS 67 HD1 HIS 67 -19.154 33.945 9.159 1261 HD2 HIS 67 HD2 HIS 67 -17.241 36.413 6.396 1262 HE1 HIS 67 HE1 HIS 67 -17.031 32.746 8.479 1263 HE2 HIS 67 HE2 HIS 67 -15.853 34.234 6.793 1264 H LEU 68 H LEU 68 -20.677 34.346 11.149 1265 HA LEU 68 HA LEU 68 -22.348 32.595 9.443 1266 HB2 LEU 68 HB2 LEU 68 -21.022 31.870 12.055 1267 HB3 LEU 68 HB3 LEU 68 -21.637 30.790 10.805 1268 HG LEU 68 HG LEU 68 -19.284 32.682 10.503 1269 HD11 LEU 68 HD11 LEU 68 -18.031 30.489 10.292 1270 HD12 LEU 68 HD12 LEU 68 -19.497 29.679 10.847 1271 HD13 LEU 68 HD13 LEU 68 -18.666 30.821 11.903 1272 HD21 LEU 68 HD21 LEU 68 -19.000 31.263 8.363 1273 HD22 LEU 68 HD22 LEU 68 -20.278 32.476 8.356 1274 HD23 LEU 68 HD23 LEU 68 -20.676 30.777 8.613 1275 H VAL 69 H VAL 69 -24.286 31.771 10.229 1276 HA VAL 69 HA VAL 69 -26.257 31.759 11.380 1277 HB VAL 69 HB VAL 69 -24.817 33.035 13.710 1278 HG11 VAL 69 HG11 VAL 69 -27.269 32.878 13.850 1279 HG12 VAL 69 HG12 VAL 69 -26.508 31.772 14.993 1280 HG13 VAL 69 HG13 VAL 69 -27.185 31.155 13.485 1281 HG21 VAL 69 HG21 VAL 69 -23.461 31.139 13.077 1282 HG22 VAL 69 HG22 VAL 69 -24.890 30.140 12.816 1283 HG23 VAL 69 HG23 VAL 69 -24.450 30.640 14.449 1284 H LYS 70 H LYS 70 -27.981 33.128 11.543 1285 HA LYS 70 HA LYS 70 -27.487 36.051 11.507 1286 HB2 LYS 70 HB2 LYS 70 -29.164 34.443 9.568 1287 HB3 LYS 70 HB3 LYS 70 -29.277 36.190 9.732 1288 HG2 LYS 70 HG2 LYS 70 -26.583 34.919 9.239 1289 HG3 LYS 70 HG3 LYS 70 -27.695 35.139 7.895 1290 HD2 LYS 70 HD2 LYS 70 -27.843 37.554 8.414 1291 HD3 LYS 70 HD3 LYS 70 -26.693 37.335 9.733 1292 HE2 LYS 70 HE2 LYS 70 -25.578 38.137 7.668 1293 HE3 LYS 70 HE3 LYS 70 -24.992 36.546 8.152 1294 HZ1 LYS 70 HZ1 LYS 70 -25.758 35.644 6.290 1295 HZ2 LYS 70 HZ2 LYS 70 -26.002 37.220 5.707 1296 HZ3 LYS 70 HZ3 LYS 70 -27.279 36.382 6.451 1297 H ALA 71 H ALA 71 -29.721 37.191 11.631 1298 HA ALA 71 HA ALA 71 -31.756 35.736 13.098 1299 HB1 ALA 71 HB1 ALA 71 -29.952 36.356 14.791 1300 HB2 ALA 71 HB2 ALA 71 -31.585 36.912 15.156 1301 HB3 ALA 71 HB3 ALA 71 -30.397 38.038 14.500 1302 H LYS 72 H LYS 72 -33.571 36.450 12.236 1303 HA LYS 72 HA LYS 72 -33.780 39.223 11.244 1304 HB2 LYS 72 HB2 LYS 72 -34.401 37.224 9.799 1305 HB3 LYS 72 HB3 LYS 72 -35.762 36.971 10.890 1306 HG2 LYS 72 HG2 LYS 72 -36.556 39.265 10.433 1307 HG3 LYS 72 HG3 LYS 72 -35.196 39.518 9.340 1308 HD2 LYS 72 HD2 LYS 72 -35.989 37.813 7.834 1309 HD3 LYS 72 HD3 LYS 72 -37.222 37.294 8.985 1310 HE2 LYS 72 HE2 LYS 72 -38.198 38.718 7.213 1311 HE3 LYS 72 HE3 LYS 72 -38.332 39.487 8.794 1312 HZ1 LYS 72 HZ1 LYS 72 -37.535 41.000 7.044 1313 HZ2 LYS 72 HZ2 LYS 72 -36.161 40.022 6.840 1314 HZ3 LYS 72 HZ3 LYS 72 -36.422 40.827 8.314 1315 H ARG 73 H ARG 73 -35.515 40.555 11.857 1316 HA ARG 73 HA ARG 73 -36.390 40.179 14.596 1317 HB2 ARG 73 HB2 ARG 73 -37.393 42.418 14.323 1318 HB3 ARG 73 HB3 ARG 73 -35.691 42.391 13.865 1319 HG2 ARG 73 HG2 ARG 73 -36.585 41.957 11.451 1320 HG3 ARG 73 HG3 ARG 73 -38.125 42.533 12.086 1321 HD2 ARG 73 HD2 ARG 73 -37.082 44.467 11.206 1322 HD3 ARG 73 HD3 ARG 73 -36.822 44.572 12.945 1323 HE ARG 73 HE ARG 73 -34.543 44.262 12.580 1324 HH11 ARG 73 HH21 ARG 73 -36.396 43.549 9.745 1325 HH12 ARG 73 HH22 ARG 73 -35.013 43.363 8.719 1326 HH21 ARG 73 HH11 ARG 73 -32.724 44.027 11.239 1327 HH22 ARG 73 HH12 ARG 73 -32.934 43.635 9.566 1328 H GLN 74 H GLN 74 -38.144 39.075 15.121 1329 HA GLN 74 HA GLN 74 -40.618 39.405 13.612 1330 HB2 GLN 74 HB2 GLN 74 -39.306 37.467 12.574 1331 HB3 GLN 74 HB3 GLN 74 -39.568 36.615 14.095 1332 HG2 GLN 74 HG2 GLN 74 -41.360 35.954 12.660 1333 HG3 GLN 74 HG3 GLN 74 -42.053 37.114 13.792 1334 HE21 GLN 74 HE21 GLN 74 -42.855 39.103 12.939 1335 HE22 GLN 74 HE22 GLN 74 -42.838 39.472 11.282 1336 H GLY 75 H GLY 75 -41.861 40.066 15.256 1337 HA2 GLY 75 HA2 GLY 75 -43.212 39.789 17.129 1338 HA3 GLY 75 HA3 GLY 75 -42.430 38.238 17.427 1339 H GLN 76 H GLN 76 -42.535 39.082 19.701 1340 HA GLN 76 HA GLN 76 -40.776 41.244 20.433 1341 HB2 GLN 76 HB2 GLN 76 -42.098 39.129 22.152 1342 HB3 GLN 76 HB3 GLN 76 -41.315 40.595 22.740 1343 HG2 GLN 76 HG2 GLN 76 -43.667 40.559 20.825 1344 HG3 GLN 76 HG3 GLN 76 -43.803 40.814 22.564 1345 HE21 GLN 76 HE21 GLN 76 -43.584 42.482 19.664 1346 HE22 GLN 76 HE22 GLN 76 -42.956 43.948 20.247 1347 H SER 77 H SER 77 -39.601 39.013 18.915 1348 HA SER 77 HA SER 77 -37.263 38.614 20.577 1349 HB2 SER 77 HB2 SER 77 -38.844 36.212 19.626 1350 HB3 SER 77 HB3 SER 77 -37.293 36.173 20.463 1351 HG SER 77 HG SER 77 -38.833 35.903 22.008 1352 H MET 78 H MET 78 -35.658 37.160 19.319 1353 HA MET 78 HA MET 78 -35.733 37.916 16.443 1354 HB2 MET 78 HB2 MET 78 -33.330 37.390 18.207 1355 HB3 MET 78 HB3 MET 78 -33.309 37.952 16.536 1356 HG2 MET 78 HG2 MET 78 -34.651 39.463 18.795 1357 HG3 MET 78 HG3 MET 78 -33.006 39.784 18.247 1358 HE1 MET 78 HE1 MET 78 -34.580 41.992 18.447 1359 HE2 MET 78 HE2 MET 78 -34.953 42.805 16.927 1360 HE3 MET 78 HE3 MET 78 -33.295 42.327 17.285 1361 H ILE 79 H ILE 79 -36.148 36.214 15.167 1362 HA ILE 79 HA ILE 79 -35.616 33.494 16.072 1363 HB ILE 79 HB ILE 79 -37.734 34.170 14.897 1364 HG12 ILE 79 HG12 ILE 79 -37.726 32.241 13.307 1365 HG13 ILE 79 HG13 ILE 79 -35.988 32.098 13.532 1366 HG21 ILE 79 HG21 ILE 79 -37.713 34.700 12.569 1367 HG22 ILE 79 HG22 ILE 79 -36.004 34.291 12.421 1368 HG23 ILE 79 HG23 ILE 79 -36.490 35.732 13.312 1369 HD11 ILE 79 HD11 ILE 79 -36.198 31.265 15.681 1370 HD12 ILE 79 HD12 ILE 79 -37.687 30.650 14.974 1371 HD13 ILE 79 HD13 ILE 79 -37.727 32.093 15.981 1372 H TYR 80 H TYR 80 -34.294 32.016 14.888 1373 HA TYR 80 HA TYR 80 -32.477 33.134 12.854 1374 HB2 TYR 80 HB2 TYR 80 -30.544 32.062 14.058 1375 HB3 TYR 80 HB3 TYR 80 -31.219 33.473 14.874 1376 HD1 TYR 80 HD2 TYR 80 -32.773 33.165 16.819 1377 HD2 TYR 80 HD1 TYR 80 -30.647 29.882 15.043 1378 HE1 TYR 80 HE2 TYR 80 -33.212 31.789 18.835 1379 HE2 TYR 80 HE1 TYR 80 -31.086 28.507 17.060 1380 HH TYR 80 HH TYR 80 -32.214 29.815 19.971 1381 H SER 81 H SER 81 -31.032 31.300 12.000 1382 HA SER 81 HA SER 81 -31.976 28.610 12.229 1383 HB2 SER 81 HB2 SER 81 -33.848 29.622 10.934 1384 HB3 SER 81 HB3 SER 81 -32.694 30.082 9.682 1385 HG SER 81 HG SER 81 -33.888 27.971 9.518 1386 H LEU 82 H LEU 82 -31.335 27.727 9.648 1387 HA LEU 82 HA LEU 82 -28.563 27.401 9.823 1388 HB2 LEU 82 HB2 LEU 82 -30.247 25.958 8.564 1389 HB3 LEU 82 HB3 LEU 82 -30.200 27.174 7.295 1390 HG LEU 82 HG LEU 82 -27.675 26.873 7.244 1391 HD11 LEU 82 HD11 LEU 82 -27.048 25.758 9.193 1392 HD12 LEU 82 HD12 LEU 82 -27.072 24.432 8.043 1393 HD13 LEU 82 HD13 LEU 82 -28.424 24.660 9.145 1394 HD21 LEU 82 HD21 LEU 82 -27.844 24.817 5.865 1395 HD22 LEU 82 HD22 LEU 82 -29.149 25.952 5.525 1396 HD23 LEU 82 HD23 LEU 82 -29.456 24.530 6.520 1397 H ASP 83 H ASP 83 -26.842 28.274 8.658 1398 HA ASP 83 HA ASP 83 -26.959 31.045 8.094 1399 HB2 ASP 83 HB2 ASP 83 -24.895 28.956 7.359 1400 HB3 ASP 83 HB3 ASP 83 -24.667 30.693 7.165 1401 H ASP 84 H ASP 84 -25.454 29.109 5.651 1402 HA ASP 84 HA ASP 84 -27.181 30.323 3.583 1403 HB2 ASP 84 HB2 ASP 84 -24.416 29.107 3.525 1404 HB3 ASP 84 HB3 ASP 84 -25.312 29.526 2.066 1405 H ILE 85 H ILE 85 -25.259 27.427 3.186 1406 HA ILE 85 HA ILE 85 -27.312 25.510 3.502 1407 HB ILE 85 HB ILE 85 -28.334 26.584 1.562 1408 HG12 ILE 85 HG12 ILE 85 -26.982 24.051 0.612 1409 HG13 ILE 85 HG13 ILE 85 -28.258 24.040 1.828 1410 HG21 ILE 85 HG21 ILE 85 -26.215 27.581 0.684 1411 HG22 ILE 85 HG22 ILE 85 -27.149 26.753 -0.562 1412 HG23 ILE 85 HG23 ILE 85 -25.726 25.978 0.136 1413 HD11 ILE 85 HD11 ILE 85 -29.021 23.695 -0.586 1414 HD12 ILE 85 HD12 ILE 85 -28.591 25.384 -0.862 1415 HD13 ILE 85 HD13 ILE 85 -29.847 24.973 0.305 1416 H HIS 86 H HIS 86 -24.305 26.507 2.025 1417 HA HIS 86 HA HIS 86 -23.363 23.925 1.297 1418 HB2 HIS 86 HB2 HIS 86 -21.624 26.276 2.048 1419 HB3 HIS 86 HB3 HIS 86 -21.270 24.977 0.909 1420 HD1 HIS 86 HD1 HIS 86 -22.347 28.379 0.940 1421 HD2 HIS 86 HD2 HIS 86 -23.400 25.036 -1.319 1422 HE1 HIS 86 HE1 HIS 86 -23.478 29.254 -1.148 1423 HE2 HIS 86 HE2 HIS 86 -24.129 27.230 -2.536 1424 H VAL 87 H VAL 87 -24.134 25.022 4.259 1425 HA VAL 87 HA VAL 87 -21.877 23.924 5.753 1426 HB VAL 87 HB VAL 87 -23.412 24.450 7.725 1427 HG11 VAL 87 HG11 VAL 87 -22.676 26.681 5.805 1428 HG12 VAL 87 HG12 VAL 87 -21.600 25.949 6.995 1429 HG13 VAL 87 HG13 VAL 87 -23.001 26.880 7.527 1430 HG21 VAL 87 HG21 VAL 87 -25.341 25.837 7.308 1431 HG22 VAL 87 HG22 VAL 87 -25.503 24.398 6.302 1432 HG23 VAL 87 HG23 VAL 87 -24.976 25.920 5.585 1433 H ALA 88 H ALA 88 -25.143 23.050 4.802 1434 HA ALA 88 HA ALA 88 -25.436 20.791 6.495 1435 HB1 ALA 88 HB1 ALA 88 -27.278 21.961 5.203 1436 HB2 ALA 88 HB2 ALA 88 -27.297 20.200 5.110 1437 HB3 ALA 88 HB3 ALA 88 -26.674 21.147 3.759 1438 H THR 89 H THR 89 -24.169 21.216 3.216 1439 HA THR 89 HA THR 89 -23.716 18.462 2.682 1440 HB THR 89 HB THR 89 -22.322 19.242 0.847 1441 HG1 THR 89 HG1 THR 89 -22.072 21.390 2.515 1442 HG21 THR 89 HG21 THR 89 -23.942 20.598 -0.306 1443 HG22 THR 89 HG22 THR 89 -24.599 21.205 1.212 1444 HG23 THR 89 HG23 THR 89 -24.840 19.517 0.760 1445 H MET 90 H MET 90 -21.805 20.997 4.208 1446 HA MET 90 HA MET 90 -19.365 19.535 4.373 1447 HB2 MET 90 HB2 MET 90 -20.473 21.894 5.901 1448 HB3 MET 90 HB3 MET 90 -18.880 21.218 6.235 1449 HG2 MET 90 HG2 MET 90 -19.688 22.016 3.437 1450 HG3 MET 90 HG3 MET 90 -19.017 23.186 4.570 1451 HE1 MET 90 HE1 MET 90 -16.982 23.652 2.904 1452 HE2 MET 90 HE2 MET 90 -15.507 22.965 3.583 1453 HE3 MET 90 HE3 MET 90 -16.700 23.712 4.643 1454 H LEU 91 H LEU 91 -22.236 19.768 6.378 1455 HA LEU 91 HA LEU 91 -21.208 18.558 8.708 1456 HB2 LEU 91 HB2 LEU 91 -23.396 19.821 8.465 1457 HB3 LEU 91 HB3 LEU 91 -24.048 18.379 7.697 1458 HG LEU 91 HG LEU 91 -23.191 17.139 9.842 1459 HD11 LEU 91 HD11 LEU 91 -21.924 18.909 10.889 1460 HD12 LEU 91 HD12 LEU 91 -23.365 18.642 11.864 1461 HD13 LEU 91 HD13 LEU 91 -23.287 20.023 10.778 1462 HD21 LEU 91 HD21 LEU 91 -25.317 17.689 11.021 1463 HD22 LEU 91 HD22 LEU 91 -25.556 17.367 9.304 1464 HD23 LEU 91 HD23 LEU 91 -25.560 19.027 9.899 1465 H LYS 92 H LYS 92 -23.254 17.116 6.150 1466 HA LYS 92 HA LYS 92 -22.985 14.475 7.110 1467 HB2 LYS 92 HB2 LYS 92 -23.876 13.799 4.909 1468 HB3 LYS 92 HB3 LYS 92 -24.810 15.102 5.641 1469 HG2 LYS 92 HG2 LYS 92 -23.237 16.673 4.253 1470 HG3 LYS 92 HG3 LYS 92 -22.891 15.219 3.317 1471 HD2 LYS 92 HD2 LYS 92 -25.604 16.492 3.756 1472 HD3 LYS 92 HD3 LYS 92 -24.712 16.385 2.237 1473 HE2 LYS 92 HE2 LYS 92 -25.988 14.139 3.807 1474 HE3 LYS 92 HE3 LYS 92 -26.323 14.631 2.146 1475 HZ1 LYS 92 HZ1 LYS 92 -23.736 14.120 1.965 1476 HZ2 LYS 92 HZ2 LYS 92 -24.925 12.935 1.709 1477 HZ3 LYS 92 HZ3 LYS 92 -24.132 13.035 3.209 1478 H GLN 93 H GLN 93 -21.420 16.053 4.313 1479 HA GLN 93 HA GLN 93 -19.834 14.074 3.382 1480 HB2 GLN 93 HB2 GLN 93 -19.920 16.383 2.478 1481 HB3 GLN 93 HB3 GLN 93 -18.912 16.926 3.816 1482 HG2 GLN 93 HG2 GLN 93 -18.023 14.667 2.015 1483 HG3 GLN 93 HG3 GLN 93 -17.756 16.347 1.562 1484 HE21 GLN 93 HE21 GLN 93 -17.199 17.419 4.173 1485 HE22 GLN 93 HE22 GLN 93 -15.733 16.752 4.710 1486 H ALA 94 H ALA 94 -19.385 15.798 6.408 1487 HA ALA 94 HA ALA 94 -16.700 14.937 6.849 1488 HB1 ALA 94 HB1 ALA 94 -17.569 16.907 7.981 1489 HB2 ALA 94 HB2 ALA 94 -17.113 15.696 9.182 1490 HB3 ALA 94 HB3 ALA 94 -18.811 15.939 8.773 1491 H ILE 95 H ILE 95 -19.600 14.060 8.739 1492 HA ILE 95 HA ILE 95 -18.488 11.863 10.016 1493 HB ILE 95 HB ILE 95 -20.607 12.821 10.726 1494 HG12 ILE 95 HG12 ILE 95 -21.144 10.000 9.769 1495 HG13 ILE 95 HG13 ILE 95 -20.060 10.357 11.115 1496 HG21 ILE 95 HG21 ILE 95 -22.633 12.568 9.415 1497 HG22 ILE 95 HG22 ILE 95 -21.776 11.617 8.201 1498 HG23 ILE 95 HG23 ILE 95 -21.406 13.330 8.403 1499 HD11 ILE 95 HD11 ILE 95 -22.455 9.831 11.778 1500 HD12 ILE 95 HD12 ILE 95 -22.923 11.339 10.992 1501 HD13 ILE 95 HD13 ILE 95 -21.836 11.368 12.381 1502 H HIS 96 H HIS 96 -19.438 12.174 6.732 1503 HA HIS 96 HA HIS 96 -19.898 9.372 6.248 1504 HB2 HIS 96 HB2 HIS 96 -20.835 11.267 4.852 1505 HB3 HIS 96 HB3 HIS 96 -19.210 11.491 4.204 1506 HD1 HIS 96 HD1 HIS 96 -20.377 8.034 5.003 1507 HD2 HIS 96 HD2 HIS 96 -20.036 10.477 1.642 1508 HE1 HIS 96 HE1 HIS 96 -20.696 6.532 2.992 1509 HE2 HIS 96 HE2 HIS 96 -20.491 8.004 0.934 1510 H HIS 97 H HIS 97 -17.228 11.635 5.568 1511 HA HIS 97 HA HIS 97 -15.505 9.762 4.365 1512 HB2 HIS 97 HB2 HIS 97 -15.256 12.284 4.360 1513 HB3 HIS 97 HB3 HIS 97 -14.636 12.148 6.006 1514 HD1 HIS 97 HD1 HIS 97 -13.744 11.493 2.441 1515 HD2 HIS 97 HD2 HIS 97 -12.081 10.829 6.206 1516 HE1 HIS 97 HE1 HIS 97 -11.332 10.836 2.051 1517 HE2 HIS 97 HE2 HIS 97 -10.302 10.424 4.335 1518 H ALA 98 H ALA 98 -16.583 9.973 7.553 1519 HA ALA 98 HA ALA 98 -14.225 8.962 8.867 1520 HB1 ALA 98 HB1 ALA 98 -17.110 8.958 9.793 1521 HB2 ALA 98 HB2 ALA 98 -15.955 10.261 10.076 1522 HB3 ALA 98 HB3 ALA 98 -15.692 8.676 10.803 1523 H ASN 99 H ASN 99 -17.425 7.428 8.829 1524 HA ASN 99 HA ASN 99 -16.198 4.787 8.735 1525 HB2 ASN 99 HB2 ASN 99 -19.063 5.729 8.944 1526 HB3 ASN 99 HB3 ASN 99 -18.598 4.031 8.880 1527 HD21 ASN 99 HD21 ASN 99 -18.735 6.864 10.931 1528 HD22 ASN 99 HD22 ASN 99 -18.125 6.118 12.328 1529 H HIS 100 H HIS 100 -15.303 5.425 6.517 1530 HA HIS 100 HA HIS 100 -17.139 5.471 4.315 1531 HB2 HIS 100 HB2 HIS 100 -14.792 6.511 4.414 1532 HB3 HIS 100 HB3 HIS 100 -14.186 4.882 4.122 1533 HD1 HIS 100 HD1 HIS 100 -16.222 7.611 2.504 1534 HD2 HIS 100 HD2 HIS 100 -14.564 3.923 1.489 1535 HE1 HIS 100 HE1 HIS 100 -16.452 7.391 -0.006 1536 HE2 HIS 100 HE2 HIS 100 -15.446 5.148 -0.643 1537 HA PRO 101 HA PRO 101 -15.812 0.988 3.700 1538 HB2 PRO 101 HB2 PRO 101 -14.477 -0.381 5.578 1539 HB3 PRO 101 HB3 PRO 101 -13.653 0.854 4.607 1540 HG2 PRO 101 HG2 PRO 101 -14.666 1.019 7.414 1541 HG3 PRO 101 HG3 PRO 101 -13.176 1.671 6.724 1542 HD2 PRO 101 HD2 PRO 101 -15.580 3.113 7.121 1543 HD3 PRO 101 HD3 PRO 101 -14.226 3.638 6.101 1544 H LYS 102 H LYS 102 -16.446 -1.298 4.555 1545 HA LYS 102 HA LYS 102 -18.322 -1.348 6.764 1546 HB2 LYS 102 HB2 LYS 102 -20.193 -2.165 5.257 1547 HB3 LYS 102 HB3 LYS 102 -19.828 -0.443 5.144 1548 HG2 LYS 102 HG2 LYS 102 -18.473 -0.835 3.141 1549 HG3 LYS 102 HG3 LYS 102 -18.747 -2.572 3.273 1550 HD2 LYS 102 HD2 LYS 102 -21.171 -2.216 2.982 1551 HD3 LYS 102 HD3 LYS 102 -20.903 -0.477 2.859 1552 HE2 LYS 102 HE2 LYS 102 -19.599 -0.760 0.836 1553 HE3 LYS 102 HE3 LYS 102 -19.642 -2.516 1.004 1554 HZ1 LYS 102 HZ1 LYS 102 -21.440 -2.402 -0.282 1555 HZ2 LYS 102 HZ2 LYS 102 -21.624 -0.729 -0.054 1556 HZ3 LYS 102 HZ3 LYS 102 -22.256 -1.817 1.086 1557 H GLU 103 H GLU 103 -16.052 -2.762 6.615 1558 HA GLU 103 HA GLU 103 -15.131 -4.869 6.553 1559 HB2 GLU 103 HB2 GLU 103 -17.002 -5.022 8.280 1560 HB3 GLU 103 HB3 GLU 103 -17.974 -5.787 7.025 1561 HG2 GLU 103 HG2 GLU 103 -15.241 -6.813 7.834 1562 HG3 GLU 103 HG3 GLU 103 -16.735 -7.378 8.573 Start of MODEL 19 1 H ASN 9 H ASN 9 -21.903 5.198 18.489 2 HA ASN 9 HA ASN 9 -22.368 7.410 18.691 3 HB2 ASN 9 HB2 ASN 9 -23.148 6.092 21.304 4 HB3 ASN 9 HB3 ASN 9 -23.743 7.673 20.800 5 HD21 ASN 9 HD21 ASN 9 -23.548 4.276 19.606 6 HD22 ASN 9 HD22 ASN 9 -25.011 4.344 18.748 7 H THR 10 H THR 10 -20.483 6.236 21.441 8 HA THR 10 HA THR 10 -19.773 8.930 22.300 9 HB THR 10 HB THR 10 -20.148 7.081 23.930 10 HG1 THR 10 HG1 THR 10 -18.267 7.556 25.119 11 HG21 THR 10 HG21 THR 10 -18.629 5.251 24.087 12 HG22 THR 10 HG22 THR 10 -17.507 5.989 22.944 13 HG23 THR 10 HG23 THR 10 -19.054 5.358 22.379 14 H ASP 11 H ASP 11 -18.293 6.189 20.634 15 HA ASP 11 HA ASP 11 -15.653 7.287 20.582 16 HB2 ASP 11 HB2 ASP 11 -15.235 5.535 18.866 17 HB3 ASP 11 HB3 ASP 11 -15.986 4.894 20.325 18 H THR 12 H THR 12 -18.516 7.812 18.741 19 HA THR 12 HA THR 12 -17.214 8.798 16.369 20 HB THR 12 HB THR 12 -20.057 9.205 17.332 21 HG1 THR 12 HG1 THR 12 -18.704 7.102 16.206 22 HG21 THR 12 HG21 THR 12 -20.401 9.471 14.808 23 HG22 THR 12 HG22 THR 12 -18.650 9.639 14.691 24 HG23 THR 12 HG23 THR 12 -19.586 10.804 15.626 25 H LEU 13 H LEU 13 -19.134 10.392 18.923 26 HA LEU 13 HA LEU 13 -18.774 13.016 18.256 27 HB2 LEU 13 HB2 LEU 13 -19.939 11.780 20.315 28 HB3 LEU 13 HB3 LEU 13 -18.474 12.259 21.149 29 HG LEU 13 HG LEU 13 -20.093 13.974 21.517 30 HD11 LEU 13 HD11 LEU 13 -18.401 15.140 19.321 31 HD12 LEU 13 HD12 LEU 13 -17.678 14.589 20.836 32 HD13 LEU 13 HD13 LEU 13 -18.892 15.865 20.850 33 HD21 LEU 13 HD21 LEU 13 -20.431 14.600 18.597 34 HD22 LEU 13 HD22 LEU 13 -21.497 14.929 19.955 35 HD23 LEU 13 HD23 LEU 13 -21.383 13.298 19.308 36 H GLU 14 H GLU 14 -16.436 10.850 19.733 37 HA GLU 14 HA GLU 14 -14.521 12.858 20.408 38 HB2 GLU 14 HB2 GLU 14 -14.288 9.874 19.981 39 HB3 GLU 14 HB3 GLU 14 -12.940 10.885 20.498 40 HG2 GLU 14 HG2 GLU 14 -14.044 11.496 22.521 41 HG3 GLU 14 HG3 GLU 14 -15.590 10.866 21.953 42 H ARG 15 H ARG 15 -14.783 10.581 17.678 43 HA ARG 15 HA ARG 15 -12.445 11.393 16.350 44 HB2 ARG 15 HB2 ARG 15 -14.989 10.102 15.353 45 HB3 ARG 15 HB3 ARG 15 -13.588 10.383 14.317 46 HG2 ARG 15 HG2 ARG 15 -12.182 9.037 15.793 47 HG3 ARG 15 HG3 ARG 15 -13.522 8.827 16.920 48 HD2 ARG 15 HD2 ARG 15 -13.533 7.899 14.034 49 HD3 ARG 15 HD3 ARG 15 -13.206 6.858 15.417 50 HE ARG 15 HE ARG 15 -15.613 7.950 16.042 51 HH11 ARG 15 HH21 ARG 15 -14.317 6.392 13.238 52 HH12 ARG 15 HH22 ARG 15 -15.832 5.718 12.741 53 HH21 ARG 15 HH11 ARG 15 -17.606 7.067 15.397 54 HH22 ARG 15 HH12 ARG 15 -17.695 6.099 13.963 55 H VAL 16 H VAL 16 -15.825 12.239 15.549 56 HA VAL 16 HA VAL 16 -15.416 13.966 13.483 57 HB VAL 16 HB VAL 16 -17.498 15.114 14.161 58 HG11 VAL 16 HG11 VAL 16 -17.672 12.976 13.005 59 HG12 VAL 16 HG12 VAL 16 -18.910 13.046 14.259 60 HG13 VAL 16 HG13 VAL 16 -17.444 12.103 14.521 61 HG21 VAL 16 HG21 VAL 16 -18.602 14.267 16.272 62 HG22 VAL 16 HG22 VAL 16 -17.183 15.277 16.548 63 HG23 VAL 16 HG23 VAL 16 -17.062 13.524 16.702 64 H THR 17 H THR 17 -14.244 14.394 16.632 65 HA THR 17 HA THR 17 -14.125 17.311 16.512 66 HB THR 17 HB THR 17 -12.799 15.487 18.521 67 HG1 THR 17 HG1 THR 17 -15.318 15.563 18.027 68 HG21 THR 17 HG21 THR 17 -12.176 17.924 18.420 69 HG22 THR 17 HG22 THR 17 -12.908 17.440 19.950 70 HG23 THR 17 HG23 THR 17 -13.862 18.317 18.753 71 H GLU 18 H GLU 18 -11.963 14.525 16.223 72 HA GLU 18 HA GLU 18 -9.583 16.113 16.075 73 HB2 GLU 18 HB2 GLU 18 -10.102 13.211 15.391 74 HB3 GLU 18 HB3 GLU 18 -8.504 13.959 15.439 75 HG2 GLU 18 HG2 GLU 18 -8.996 14.639 17.823 76 HG3 GLU 18 HG3 GLU 18 -10.456 13.655 17.737 77 H ILE 19 H ILE 19 -11.888 14.947 13.730 78 HA ILE 19 HA ILE 19 -10.258 14.994 11.437 79 HB ILE 19 HB ILE 19 -12.585 14.052 11.573 80 HG12 ILE 19 HG12 ILE 19 -13.250 14.853 9.287 81 HG13 ILE 19 HG13 ILE 19 -11.984 16.070 9.391 82 HG21 ILE 19 HG21 ILE 19 -13.495 16.900 11.141 83 HG22 ILE 19 HG22 ILE 19 -13.455 16.163 12.741 84 HG23 ILE 19 HG23 ILE 19 -14.481 15.478 11.482 85 HD11 ILE 19 HD11 ILE 19 -11.549 13.721 8.224 86 HD12 ILE 19 HD12 ILE 19 -11.214 13.209 9.874 87 HD13 ILE 19 HD13 ILE 19 -10.285 14.523 9.150 88 H PHE 20 H PHE 20 -12.104 17.544 13.049 89 HA PHE 20 HA PHE 20 -11.652 19.569 11.113 90 HB2 PHE 20 HB2 PHE 20 -12.220 19.751 14.082 91 HB3 PHE 20 HB3 PHE 20 -12.219 21.129 12.982 92 HD1 PHE 20 HD1 PHE 20 -13.670 20.824 10.791 93 HD2 PHE 20 HD2 PHE 20 -14.254 18.624 14.433 94 HE1 PHE 20 HE1 PHE 20 -16.002 20.323 10.114 95 HE2 PHE 20 HE2 PHE 20 -16.584 18.115 13.752 96 HZ PHE 20 HZ PHE 20 -17.458 18.966 11.593 97 H LYS 21 H LYS 21 -10.189 19.224 14.348 98 HA LYS 21 HA LYS 21 -8.197 21.110 14.126 99 HB2 LYS 21 HB2 LYS 21 -7.976 18.431 15.514 100 HB3 LYS 21 HB3 LYS 21 -6.999 19.860 15.852 101 HG2 LYS 21 HG2 LYS 21 -8.920 21.094 16.621 102 HG3 LYS 21 HG3 LYS 21 -10.021 19.844 16.052 103 HD2 LYS 21 HD2 LYS 21 -9.898 19.434 18.361 104 HD3 LYS 21 HD3 LYS 21 -8.756 18.272 17.696 105 HE2 LYS 21 HE2 LYS 21 -7.802 19.443 19.647 106 HE3 LYS 21 HE3 LYS 21 -6.895 19.823 18.185 107 HZ1 LYS 21 HZ1 LYS 21 -9.083 21.507 19.271 108 HZ2 LYS 21 HZ2 LYS 21 -8.036 21.892 17.990 109 HZ3 LYS 21 HZ3 LYS 21 -7.436 21.781 19.574 110 H ALA 22 H ALA 22 -8.514 18.299 12.277 111 HA ALA 22 HA ALA 22 -5.916 17.395 11.906 112 HB1 ALA 22 HB1 ALA 22 -7.977 17.632 9.708 113 HB2 ALA 22 HB2 ALA 22 -8.028 16.387 10.957 114 HB3 ALA 22 HB3 ALA 22 -6.670 16.455 9.833 115 H LEU 23 H LEU 23 -7.548 20.163 10.428 116 HA LEU 23 HA LEU 23 -5.456 20.733 8.559 117 HB2 LEU 23 HB2 LEU 23 -7.804 22.301 9.624 118 HB3 LEU 23 HB3 LEU 23 -6.632 23.037 8.532 119 HG LEU 23 HG LEU 23 -7.090 21.378 6.827 120 HD11 LEU 23 HD11 LEU 23 -7.449 19.372 8.034 121 HD12 LEU 23 HD12 LEU 23 -9.017 19.728 7.314 122 HD13 LEU 23 HD13 LEU 23 -8.728 20.090 9.015 123 HD21 LEU 23 HD21 LEU 23 -8.659 23.364 7.189 124 HD22 LEU 23 HD22 LEU 23 -9.766 22.224 7.954 125 HD23 LEU 23 HD23 LEU 23 -9.321 22.019 6.260 126 H GLY 24 H GLY 24 -6.515 23.003 11.054 127 HA2 GLY 24 HA2 GLY 24 -5.315 24.034 12.760 128 HA3 GLY 24 HA3 GLY 24 -3.904 23.081 12.319 129 H ASP 25 H ASP 25 -2.273 24.194 11.481 130 HA ASP 25 HA ASP 25 -2.349 26.947 11.023 131 HB2 ASP 25 HB2 ASP 25 -0.112 26.583 9.920 132 HB3 ASP 25 HB3 ASP 25 -0.261 25.900 11.538 133 H TYR 26 H TYR 26 -1.783 28.074 9.003 134 HA TYR 26 HA TYR 26 -3.647 27.298 6.916 135 HB2 TYR 26 HB2 TYR 26 -3.181 29.532 6.017 136 HB3 TYR 26 HB3 TYR 26 -3.577 29.611 7.733 137 HD1 TYR 26 HD1 TYR 26 -0.803 29.710 5.270 138 HD2 TYR 26 HD2 TYR 26 -1.960 30.313 9.362 139 HE1 TYR 26 HE1 TYR 26 1.374 30.809 5.723 140 HE2 TYR 26 HE2 TYR 26 0.218 31.410 9.816 141 HH TYR 26 HH TYR 26 1.980 32.724 8.206 142 H ASN 27 H ASN 27 -0.204 27.261 7.418 143 HA ASN 27 HA ASN 27 0.564 27.413 4.690 144 HB2 ASN 27 HB2 ASN 27 2.760 26.817 5.439 145 HB3 ASN 27 HB3 ASN 27 2.051 27.868 6.661 146 HD21 ASN 27 HD21 ASN 27 0.565 26.285 8.267 147 HD22 ASN 27 HD22 ASN 27 1.469 24.995 8.899 148 H ARG 28 H ARG 28 -0.050 24.654 6.845 149 HA ARG 28 HA ARG 28 0.879 22.670 5.051 150 HB2 ARG 28 HB2 ARG 28 -1.101 22.519 7.333 151 HB3 ARG 28 HB3 ARG 28 -0.484 21.111 6.468 152 HG2 ARG 28 HG2 ARG 28 1.807 21.683 7.097 153 HG3 ARG 28 HG3 ARG 28 1.250 23.162 7.880 154 HD2 ARG 28 HD2 ARG 28 -0.173 21.721 9.390 155 HD3 ARG 28 HD3 ARG 28 0.630 20.313 8.698 156 HE ARG 28 HE ARG 28 2.585 22.144 9.608 157 HH11 ARG 28 HH21 ARG 28 0.139 19.970 10.739 158 HH12 ARG 28 HH22 ARG 28 0.940 19.633 12.238 159 HH21 ARG 28 HH11 ARG 28 3.638 21.706 11.571 160 HH22 ARG 28 HH12 ARG 28 2.921 20.614 12.708 161 H ILE 29 H ILE 29 -2.407 23.885 5.714 162 HA ILE 29 HA ILE 29 -3.746 22.202 3.897 163 HB ILE 29 HB ILE 29 -4.981 23.439 5.575 164 HG12 ILE 29 HG12 ILE 29 -5.722 24.609 2.883 165 HG13 ILE 29 HG13 ILE 29 -6.027 22.924 3.307 166 HG21 ILE 29 HG21 ILE 29 -3.434 25.414 5.556 167 HG22 ILE 29 HG22 ILE 29 -5.141 25.858 5.544 168 HG23 ILE 29 HG23 ILE 29 -4.197 25.943 4.057 169 HD11 ILE 29 HD11 ILE 29 -7.312 23.699 5.301 170 HD12 ILE 29 HD12 ILE 29 -8.024 24.250 3.784 171 HD13 ILE 29 HD13 ILE 29 -7.077 25.364 4.771 172 H ARG 30 H ARG 30 -1.686 24.909 3.368 173 HA ARG 30 HA ARG 30 -2.719 25.690 0.809 174 HB2 ARG 30 HB2 ARG 30 -1.202 27.079 2.316 175 HB3 ARG 30 HB3 ARG 30 0.120 26.039 1.782 176 HG2 ARG 30 HG2 ARG 30 -0.547 26.601 -0.603 177 HG3 ARG 30 HG3 ARG 30 -1.623 27.827 0.070 178 HD2 ARG 30 HD2 ARG 30 1.389 27.672 0.341 179 HD3 ARG 30 HD3 ARG 30 0.451 28.921 -0.474 180 HE ARG 30 HE ARG 30 -0.237 28.679 2.306 181 HH11 ARG 30 HH21 ARG 30 2.046 29.954 0.038 182 HH12 ARG 30 HH22 ARG 30 2.509 31.285 1.044 183 HH21 ARG 30 HH11 ARG 30 0.370 30.421 3.632 184 HH22 ARG 30 HH12 ARG 30 1.559 31.552 3.076 185 H ILE 31 H ILE 31 -0.493 23.281 1.998 186 HA ILE 31 HA ILE 31 0.698 22.588 -0.502 187 HB ILE 31 HB ILE 31 0.303 20.851 1.950 188 HG12 ILE 31 HG12 ILE 31 2.684 22.576 1.214 189 HG13 ILE 31 HG13 ILE 31 1.445 23.073 2.367 190 HG21 ILE 31 HG21 ILE 31 2.212 20.737 -0.404 191 HG22 ILE 31 HG22 ILE 31 0.963 19.560 0.003 192 HG23 ILE 31 HG23 ILE 31 2.372 19.746 1.046 193 HD11 ILE 31 HD11 ILE 31 3.276 20.667 2.580 194 HD12 ILE 31 HD12 ILE 31 1.912 20.959 3.659 195 HD13 ILE 31 HD13 ILE 31 3.264 22.091 3.621 196 H MET 32 H MET 32 -2.279 21.768 1.121 197 HA MET 32 HA MET 32 -2.936 19.480 -0.459 198 HB2 MET 32 HB2 MET 32 -4.813 21.353 1.003 199 HB3 MET 32 HB3 MET 32 -5.153 19.698 0.495 200 HG2 MET 32 HG2 MET 32 -2.952 20.472 2.434 201 HG3 MET 32 HG3 MET 32 -4.540 19.877 2.919 202 HE1 MET 32 HE1 MET 32 -3.314 17.575 4.233 203 HE2 MET 32 HE2 MET 32 -2.121 18.835 3.924 204 HE3 MET 32 HE3 MET 32 -1.754 17.158 3.522 205 H GLU 33 H GLU 33 -3.352 22.938 -0.819 206 HA GLU 33 HA GLU 33 -5.308 22.993 -2.830 207 HB2 GLU 33 HB2 GLU 33 -4.322 24.970 -1.567 208 HB3 GLU 33 HB3 GLU 33 -2.948 24.875 -2.670 209 HG2 GLU 33 HG2 GLU 33 -4.627 24.990 -4.579 210 HG3 GLU 33 HG3 GLU 33 -5.847 25.389 -3.372 211 H LEU 34 H LEU 34 -1.785 23.358 -3.306 212 HA LEU 34 HA LEU 34 -1.719 23.058 -6.051 213 HB2 LEU 34 HB2 LEU 34 0.166 23.516 -4.253 214 HB3 LEU 34 HB3 LEU 34 0.418 21.783 -4.355 215 HG LEU 34 HG LEU 34 1.920 22.797 -5.908 216 HD11 LEU 34 HD11 LEU 34 1.328 21.689 -7.923 217 HD12 LEU 34 HD12 LEU 34 -0.397 21.862 -7.599 218 HD13 LEU 34 HD13 LEU 34 0.580 20.758 -6.626 219 HD21 LEU 34 HD21 LEU 34 1.455 24.505 -7.387 220 HD22 LEU 34 HD22 LEU 34 0.372 24.941 -6.074 221 HD23 LEU 34 HD23 LEU 34 -0.257 24.122 -7.501 222 H LEU 35 H LEU 35 -1.308 20.490 -3.616 223 HA LEU 35 HA LEU 35 -1.117 18.301 -5.267 224 HB2 LEU 35 HB2 LEU 35 -1.155 18.593 -2.623 225 HB3 LEU 35 HB3 LEU 35 -2.825 18.099 -2.801 226 HG LEU 35 HG LEU 35 -1.566 16.121 -2.381 227 HD11 LEU 35 HD11 LEU 35 -3.295 16.128 -4.265 228 HD12 LEU 35 HD12 LEU 35 -2.161 14.780 -4.233 229 HD13 LEU 35 HD13 LEU 35 -1.923 16.100 -5.375 230 HD21 LEU 35 HD21 LEU 35 0.463 15.529 -3.314 231 HD22 LEU 35 HD22 LEU 35 0.640 17.278 -3.271 232 HD23 LEU 35 HD23 LEU 35 0.216 16.470 -4.778 233 H SER 36 H SER 36 -4.109 19.838 -4.079 234 HA SER 36 HA SER 36 -6.030 18.159 -5.042 235 HB2 SER 36 HB2 SER 36 -6.310 20.417 -3.854 236 HB3 SER 36 HB3 SER 36 -6.234 21.139 -5.460 237 HG SER 36 HG SER 36 -7.949 19.652 -6.034 238 H VAL 37 H VAL 37 -4.141 20.497 -6.912 239 HA VAL 37 HA VAL 37 -5.514 20.225 -9.362 240 HB VAL 37 HB VAL 37 -2.566 20.788 -8.957 241 HG11 VAL 37 HG11 VAL 37 -4.519 21.453 -11.182 242 HG12 VAL 37 HG12 VAL 37 -3.174 20.317 -11.281 243 HG13 VAL 37 HG13 VAL 37 -2.858 22.042 -11.092 244 HG21 VAL 37 HG21 VAL 37 -4.069 22.257 -7.593 245 HG22 VAL 37 HG22 VAL 37 -4.899 22.725 -9.078 246 HG23 VAL 37 HG23 VAL 37 -3.199 23.139 -8.849 247 H SER 38 H SER 38 -2.358 18.815 -8.487 248 HA SER 38 HA SER 38 -3.085 16.281 -9.789 249 HB2 SER 38 HB2 SER 38 -2.154 17.443 -11.653 250 HB3 SER 38 HB3 SER 38 -0.840 18.098 -10.677 251 HG SER 38 HG SER 38 -0.376 15.737 -10.302 252 H GLU 39 H GLU 39 -1.728 14.541 -9.229 253 HA GLU 39 HA GLU 39 -0.867 14.398 -6.605 254 HB2 GLU 39 HB2 GLU 39 0.295 12.821 -8.915 255 HB3 GLU 39 HB3 GLU 39 0.267 12.345 -7.217 256 HG2 GLU 39 HG2 GLU 39 -2.199 12.325 -7.260 257 HG3 GLU 39 HG3 GLU 39 -2.176 12.807 -8.955 258 H ALA 40 H ALA 40 1.310 14.200 -5.713 259 HA ALA 40 HA ALA 40 3.522 15.368 -7.196 260 HB1 ALA 40 HB1 ALA 40 3.813 17.309 -5.863 261 HB2 ALA 40 HB2 ALA 40 2.604 16.782 -4.692 262 HB3 ALA 40 HB3 ALA 40 2.104 17.302 -6.302 263 H SER 41 H SER 41 5.495 14.885 -6.313 264 HA SER 41 HA SER 41 5.502 12.994 -4.049 265 HB2 SER 41 HB2 SER 41 7.678 12.330 -4.844 266 HB3 SER 41 HB3 SER 41 6.585 12.372 -6.227 267 HG SER 41 HG SER 41 8.457 14.352 -5.443 268 H VAL 42 H VAL 42 7.509 13.162 -2.641 269 HA VAL 42 HA VAL 42 7.498 15.404 -1.074 270 HB VAL 42 HB VAL 42 9.880 13.629 -1.651 271 HG11 VAL 42 HG11 VAL 42 10.469 14.340 0.731 272 HG12 VAL 42 HG12 VAL 42 9.253 15.604 0.553 273 HG13 VAL 42 HG13 VAL 42 10.661 15.581 -0.508 274 HG21 VAL 42 HG21 VAL 42 7.593 13.467 0.329 275 HG22 VAL 42 HG22 VAL 42 9.073 12.521 0.485 276 HG23 VAL 42 HG23 VAL 42 8.022 12.289 -0.912 277 H GLY 43 H GLY 43 9.757 14.751 -3.750 278 HA2 GLY 43 HA2 GLY 43 11.298 17.048 -3.514 279 HA3 GLY 43 HA3 GLY 43 11.086 16.139 -5.004 280 H HIS 44 H HIS 44 8.370 16.559 -5.507 281 HA HIS 44 HA HIS 44 8.525 19.050 -6.801 282 HB2 HIS 44 HB2 HIS 44 7.237 17.155 -7.674 283 HB3 HIS 44 HB3 HIS 44 6.114 17.289 -6.321 284 HD1 HIS 44 HD1 HIS 44 6.972 18.802 -9.601 285 HD2 HIS 44 HD2 HIS 44 4.477 19.686 -6.379 286 HE1 HIS 44 HE1 HIS 44 5.384 20.603 -10.400 287 HE2 HIS 44 HE2 HIS 44 3.857 21.157 -8.449 288 H ILE 45 H ILE 45 6.887 18.090 -3.810 289 HA ILE 45 HA ILE 45 5.340 20.483 -3.610 290 HB ILE 45 HB ILE 45 5.051 19.803 -1.208 291 HG12 ILE 45 HG12 ILE 45 6.614 17.349 -2.019 292 HG13 ILE 45 HG13 ILE 45 7.352 18.688 -1.139 293 HG21 ILE 45 HG21 ILE 45 3.526 19.010 -2.968 294 HG22 ILE 45 HG22 ILE 45 3.788 17.745 -1.768 295 HG23 ILE 45 HG23 ILE 45 4.616 17.671 -3.323 296 HD11 ILE 45 HD11 ILE 45 4.986 17.021 -0.231 297 HD12 ILE 45 HD12 ILE 45 5.602 18.434 0.626 298 HD13 ILE 45 HD13 ILE 45 6.610 16.996 0.456 299 H SER 46 H SER 46 8.625 19.684 -2.847 300 HA SER 46 HA SER 46 9.291 21.480 -0.866 301 HB2 SER 46 HB2 SER 46 10.816 19.820 -2.028 302 HB3 SER 46 HB3 SER 46 10.981 21.001 -3.326 303 HG SER 46 HG SER 46 11.348 22.322 -1.106 304 H HIS 47 H HIS 47 8.869 22.096 -4.332 305 HA HIS 47 HA HIS 47 9.796 24.712 -4.471 306 HB2 HIS 47 HB2 HIS 47 9.126 23.438 -6.452 307 HB3 HIS 47 HB3 HIS 47 7.443 23.482 -5.928 308 HD1 HIS 47 HD1 HIS 47 6.127 25.631 -6.331 309 HD2 HIS 47 HD2 HIS 47 10.167 26.015 -7.288 310 HE1 HIS 47 HE1 HIS 47 6.372 27.849 -7.526 311 HE2 HIS 47 HE2 HIS 47 8.826 28.095 -8.127 312 H GLN 48 H GLN 48 7.224 23.526 -2.635 313 HA GLN 48 HA GLN 48 5.557 25.883 -2.731 314 HB2 GLN 48 HB2 GLN 48 4.769 23.511 -2.232 315 HB3 GLN 48 HB3 GLN 48 5.498 23.706 -0.638 316 HG2 GLN 48 HG2 GLN 48 3.221 24.350 -0.366 317 HG3 GLN 48 HG3 GLN 48 4.125 25.862 -0.442 318 HE21 GLN 48 HE21 GLN 48 2.770 23.585 -2.908 319 HE22 GLN 48 HE22 GLN 48 2.025 24.804 -3.823 320 H LEU 49 H LEU 49 7.520 24.372 -0.155 321 HA LEU 49 HA LEU 49 7.706 27.001 1.212 322 HB2 LEU 49 HB2 LEU 49 8.364 24.303 2.390 323 HB3 LEU 49 HB3 LEU 49 8.029 25.815 3.232 324 HG LEU 49 HG LEU 49 6.031 24.241 1.582 325 HD11 LEU 49 HD11 LEU 49 6.618 23.178 3.739 326 HD12 LEU 49 HD12 LEU 49 4.967 23.800 3.759 327 HD13 LEU 49 HD13 LEU 49 6.253 24.687 4.576 328 HD21 LEU 49 HD21 LEU 49 5.421 26.533 1.417 329 HD22 LEU 49 HD22 LEU 49 5.889 26.862 3.085 330 HD23 LEU 49 HD23 LEU 49 4.444 25.911 2.745 331 H ASN 50 H ASN 50 9.523 24.377 -0.210 332 HA ASN 50 HA ASN 50 11.725 24.177 -0.794 333 HB2 ASN 50 HB2 ASN 50 11.268 26.571 -1.589 334 HB3 ASN 50 HB3 ASN 50 12.071 27.096 -0.111 335 HD21 ASN 50 HD21 ASN 50 12.607 25.134 -3.069 336 HD22 ASN 50 HD22 ASN 50 14.292 25.327 -3.069 337 H LEU 51 H LEU 51 10.885 23.691 1.919 338 HA LEU 51 HA LEU 51 13.195 24.524 3.559 339 HB2 LEU 51 HB2 LEU 51 10.724 22.970 4.357 340 HB3 LEU 51 HB3 LEU 51 11.929 23.656 5.440 341 HG LEU 51 HG LEU 51 10.299 25.327 3.511 342 HD11 LEU 51 HD11 LEU 51 9.774 24.703 6.431 343 HD12 LEU 51 HD12 LEU 51 8.776 24.206 5.064 344 HD13 LEU 51 HD13 LEU 51 8.909 25.914 5.484 345 HD21 LEU 51 HD21 LEU 51 10.927 27.102 5.261 346 HD22 LEU 51 HD22 LEU 51 12.220 26.541 4.209 347 HD23 LEU 51 HD23 LEU 51 12.103 25.937 5.862 348 H SER 52 H SER 52 13.076 22.269 5.295 349 HA SER 52 HA SER 52 14.815 20.482 3.868 350 HB2 SER 52 HB2 SER 52 15.033 21.090 6.311 351 HB3 SER 52 HB3 SER 52 13.614 20.089 6.616 352 HG SER 52 HG SER 52 16.032 19.256 6.551 353 H GLN 53 H GLN 53 14.386 18.512 3.024 354 HA GLN 53 HA GLN 53 11.700 17.793 2.437 355 HB2 GLN 53 HB2 GLN 53 14.152 16.031 2.246 356 HB3 GLN 53 HB3 GLN 53 12.641 15.856 1.352 357 HG2 GLN 53 HG2 GLN 53 13.042 18.061 0.284 358 HG3 GLN 53 HG3 GLN 53 14.578 18.181 1.143 359 HE21 GLN 53 HE21 GLN 53 14.893 15.126 0.785 360 HE22 GLN 53 HE22 GLN 53 15.425 14.961 -0.818 361 H SER 54 H SER 54 13.734 17.191 5.127 362 HA SER 54 HA SER 54 12.467 14.730 5.958 363 HB2 SER 54 HB2 SER 54 14.842 15.406 6.524 364 HB3 SER 54 HB3 SER 54 14.158 16.594 7.633 365 HG SER 54 HG SER 54 13.480 13.847 7.691 366 H ASN 55 H ASN 55 11.980 18.142 6.454 367 HA ASN 55 HA ASN 55 10.358 17.883 8.807 368 HB2 ASN 55 HB2 ASN 55 11.576 19.962 8.261 369 HB3 ASN 55 HB3 ASN 55 10.559 20.174 6.838 370 HD21 ASN 55 HD21 ASN 55 8.856 21.590 7.218 371 HD22 ASN 55 HD22 ASN 55 8.079 21.802 8.711 372 H VAL 56 H VAL 56 9.682 18.344 5.346 373 HA VAL 56 HA VAL 56 6.860 18.513 5.649 374 HB VAL 56 HB VAL 56 6.785 18.207 3.221 375 HG11 VAL 56 HG11 VAL 56 9.198 19.871 3.994 376 HG12 VAL 56 HG12 VAL 56 7.531 20.387 4.247 377 HG13 VAL 56 HG13 VAL 56 8.133 20.121 2.611 378 HG21 VAL 56 HG21 VAL 56 9.024 17.863 2.051 379 HG22 VAL 56 HG22 VAL 56 8.372 16.446 2.874 380 HG23 VAL 56 HG23 VAL 56 9.669 17.380 3.621 381 H SER 57 H SER 57 9.083 15.833 5.036 382 HA SER 57 HA SER 57 7.192 13.849 4.425 383 HB2 SER 57 HB2 SER 57 8.967 12.266 5.295 384 HB3 SER 57 HB3 SER 57 9.515 13.393 4.055 385 HG SER 57 HG SER 57 9.893 14.707 6.201 386 H HIS 58 H HIS 58 8.882 14.235 7.540 387 HA HIS 58 HA HIS 58 7.489 12.533 9.116 388 HB2 HIS 58 HB2 HIS 58 9.379 14.071 9.809 389 HB3 HIS 58 HB3 HIS 58 8.168 15.332 10.032 390 HD1 HIS 58 HD1 HIS 58 8.724 11.725 11.169 391 HD2 HIS 58 HD2 HIS 58 7.072 15.291 12.564 392 HE1 HIS 58 HE1 HIS 58 7.979 11.286 13.548 393 HE2 HIS 58 HE2 HIS 58 6.957 13.444 14.410 394 H GLN 59 H GLN 59 6.371 15.677 7.998 395 HA GLN 59 HA GLN 59 4.065 15.833 9.653 396 HB2 GLN 59 HB2 GLN 59 5.154 17.729 8.355 397 HB3 GLN 59 HB3 GLN 59 4.375 17.070 6.915 398 HG2 GLN 59 HG2 GLN 59 2.176 17.209 8.157 399 HG3 GLN 59 HG3 GLN 59 3.024 18.085 9.431 400 HE21 GLN 59 HE21 GLN 59 1.443 18.438 6.396 401 HE22 GLN 59 HE22 GLN 59 1.898 20.045 6.095 402 H LEU 60 H LEU 60 4.465 14.883 6.240 403 HA LEU 60 HA LEU 60 1.895 14.267 5.556 404 HB2 LEU 60 HB2 LEU 60 4.047 14.046 4.166 405 HB3 LEU 60 HB3 LEU 60 4.190 12.438 4.862 406 HG LEU 60 HG LEU 60 1.706 12.140 4.045 407 HD11 LEU 60 HD11 LEU 60 1.329 13.402 1.896 408 HD12 LEU 60 HD12 LEU 60 2.678 14.447 2.328 409 HD13 LEU 60 HD13 LEU 60 1.232 14.408 3.337 410 HD21 LEU 60 HD21 LEU 60 2.528 11.394 1.817 411 HD22 LEU 60 HD22 LEU 60 3.576 10.861 3.133 412 HD23 LEU 60 HD23 LEU 60 4.051 12.229 2.125 413 H LYS 61 H LYS 61 4.009 12.473 7.686 414 HA LYS 61 HA LYS 61 2.462 10.077 7.761 415 HB2 LYS 61 HB2 LYS 61 4.450 11.197 9.753 416 HB3 LYS 61 HB3 LYS 61 3.809 9.554 9.770 417 HG2 LYS 61 HG2 LYS 61 4.723 9.212 7.475 418 HG3 LYS 61 HG3 LYS 61 5.438 10.823 7.548 419 HD2 LYS 61 HD2 LYS 61 6.626 10.076 9.667 420 HD3 LYS 61 HD3 LYS 61 6.081 8.438 9.300 421 HE2 LYS 61 HE2 LYS 61 7.712 10.169 7.417 422 HE3 LYS 61 HE3 LYS 61 8.382 8.902 8.445 423 HZ1 LYS 61 HZ1 LYS 61 6.362 8.556 6.298 424 HZ2 LYS 61 HZ2 LYS 61 6.871 7.323 7.349 425 HZ3 LYS 61 HZ3 LYS 61 7.975 8.027 6.266 426 H LEU 62 H LEU 62 2.559 13.000 9.764 427 HA LEU 62 HA LEU 62 0.865 12.119 11.823 428 HB2 LEU 62 HB2 LEU 62 0.982 14.952 10.782 429 HB3 LEU 62 HB3 LEU 62 0.619 14.416 12.421 430 HG LEU 62 HG LEU 62 3.281 14.082 11.005 431 HD11 LEU 62 HD11 LEU 62 2.489 15.851 13.337 432 HD12 LEU 62 HD12 LEU 62 2.725 16.414 11.683 433 HD13 LEU 62 HD13 LEU 62 4.084 15.755 12.591 434 HD21 LEU 62 HD21 LEU 62 3.969 13.479 13.428 435 HD22 LEU 62 HD22 LEU 62 3.097 12.259 12.507 436 HD23 LEU 62 HD23 LEU 62 2.248 13.226 13.714 437 H LEU 63 H LEU 63 0.107 13.719 8.741 438 HA LEU 63 HA LEU 63 -2.677 13.976 9.238 439 HB2 LEU 63 HB2 LEU 63 -1.421 13.710 6.508 440 HB3 LEU 63 HB3 LEU 63 -2.872 14.606 6.960 441 HG LEU 63 HG LEU 63 -0.027 15.259 7.781 442 HD11 LEU 63 HD11 LEU 63 -0.341 17.250 6.413 443 HD12 LEU 63 HD12 LEU 63 -2.012 16.795 6.079 444 HD13 LEU 63 HD13 LEU 63 -0.688 15.825 5.434 445 HD21 LEU 63 HD21 LEU 63 -1.375 15.880 9.633 446 HD22 LEU 63 HD22 LEU 63 -2.702 16.405 8.597 447 HD23 LEU 63 HD23 LEU 63 -1.225 17.360 8.690 448 H LYS 64 H LYS 64 -0.703 11.324 8.190 449 HA LYS 64 HA LYS 64 -2.726 9.792 6.906 450 HB2 LYS 64 HB2 LYS 64 -0.285 9.367 6.656 451 HB3 LYS 64 HB3 LYS 64 -0.242 8.803 8.327 452 HG2 LYS 64 HG2 LYS 64 -1.695 6.966 7.843 453 HG3 LYS 64 HG3 LYS 64 -2.107 7.621 6.259 454 HD2 LYS 64 HD2 LYS 64 -0.468 5.769 6.080 455 HD3 LYS 64 HD3 LYS 64 0.207 7.290 5.501 456 HE2 LYS 64 HE2 LYS 64 1.540 7.570 7.429 457 HE3 LYS 64 HE3 LYS 64 0.593 6.413 8.365 458 HZ1 LYS 64 HZ1 LYS 64 2.641 5.403 7.703 459 HZ2 LYS 64 HZ2 LYS 64 2.378 5.803 6.074 460 HZ3 LYS 64 HZ3 LYS 64 1.378 4.665 6.841 461 H SER 65 H SER 65 -2.026 10.475 10.204 462 HA SER 65 HA SER 65 -3.064 8.158 11.437 463 HB2 SER 65 HB2 SER 65 -2.929 11.022 12.407 464 HB3 SER 65 HB3 SER 65 -3.368 9.650 13.423 465 HG SER 65 HG SER 65 -0.938 10.500 12.700 466 H VAL 66 H VAL 66 -4.632 11.337 10.949 467 HA VAL 66 HA VAL 66 -7.211 10.394 11.715 468 HB VAL 66 HB VAL 66 -7.966 12.570 10.625 469 HG11 VAL 66 HG11 VAL 66 -7.395 12.353 13.033 470 HG12 VAL 66 HG12 VAL 66 -6.954 13.939 12.397 471 HG13 VAL 66 HG13 VAL 66 -5.712 12.713 12.651 472 HG21 VAL 66 HG21 VAL 66 -6.286 14.103 9.857 473 HG22 VAL 66 HG22 VAL 66 -5.981 12.576 9.028 474 HG23 VAL 66 HG23 VAL 66 -4.983 13.048 10.404 475 H HIS 67 H HIS 67 -5.508 9.331 9.253 476 HA HIS 67 HA HIS 67 -5.955 8.391 7.207 477 HB2 HIS 67 HB2 HIS 67 -8.684 8.305 8.503 478 HB3 HIS 67 HB3 HIS 67 -8.345 7.566 6.939 479 HD1 HIS 67 HD1 HIS 67 -5.402 7.373 9.032 480 HD2 HIS 67 HD2 HIS 67 -8.872 5.102 8.605 481 HE1 HIS 67 HE1 HIS 67 -4.914 5.119 10.074 482 HE2 HIS 67 HE2 HIS 67 -7.020 3.722 9.826 483 H LEU 68 H LEU 68 -6.388 11.402 7.703 484 HA LEU 68 HA LEU 68 -8.419 12.275 5.934 485 HB2 LEU 68 HB2 LEU 68 -7.465 13.772 7.597 486 HB3 LEU 68 HB3 LEU 68 -5.869 13.616 6.872 487 HG LEU 68 HG LEU 68 -6.626 14.735 4.847 488 HD11 LEU 68 HD11 LEU 68 -8.870 14.083 4.530 489 HD12 LEU 68 HD12 LEU 68 -9.015 15.776 4.982 490 HD13 LEU 68 HD13 LEU 68 -9.328 14.517 6.177 491 HD21 LEU 68 HD21 LEU 68 -7.116 16.951 5.804 492 HD22 LEU 68 HD22 LEU 68 -5.871 16.121 6.738 493 HD23 LEU 68 HD23 LEU 68 -7.525 16.197 7.345 494 H VAL 69 H VAL 69 -5.462 10.737 5.394 495 HA VAL 69 HA VAL 69 -5.715 11.086 2.510 496 HB VAL 69 HB VAL 69 -3.360 11.706 2.208 497 HG11 VAL 69 HG11 VAL 69 -5.208 13.443 2.485 498 HG12 VAL 69 HG12 VAL 69 -3.567 14.016 2.790 499 HG13 VAL 69 HG13 VAL 69 -4.640 13.649 4.142 500 HG21 VAL 69 HG21 VAL 69 -2.360 10.774 4.189 501 HG22 VAL 69 HG22 VAL 69 -3.372 11.771 5.236 502 HG23 VAL 69 HG23 VAL 69 -2.111 12.518 4.256 503 H LYS 70 H LYS 70 -3.787 9.764 1.477 504 HA LYS 70 HA LYS 70 -3.130 7.366 3.059 505 HB2 LYS 70 HB2 LYS 70 -4.452 7.236 0.337 506 HB3 LYS 70 HB3 LYS 70 -3.973 5.874 1.351 507 HG2 LYS 70 HG2 LYS 70 -5.535 6.874 3.137 508 HG3 LYS 70 HG3 LYS 70 -6.174 7.887 1.843 509 HD2 LYS 70 HD2 LYS 70 -6.114 4.854 1.886 510 HD3 LYS 70 HD3 LYS 70 -7.543 5.871 2.064 511 HE2 LYS 70 HE2 LYS 70 -7.591 5.249 -0.209 512 HE3 LYS 70 HE3 LYS 70 -6.869 6.856 -0.246 513 HZ1 LYS 70 HZ1 LYS 70 -5.000 6.026 -1.065 514 HZ2 LYS 70 HZ2 LYS 70 -5.789 4.532 -1.245 515 HZ3 LYS 70 HZ3 LYS 70 -4.895 4.857 0.162 516 H ALA 71 H ALA 71 -1.716 5.882 1.629 517 HA ALA 71 HA ALA 71 -0.106 7.273 -0.362 518 HB1 ALA 71 HB1 ALA 71 1.131 6.326 2.236 519 HB2 ALA 71 HB2 ALA 71 0.871 8.015 1.797 520 HB3 ALA 71 HB3 ALA 71 1.990 7.022 0.861 521 H LYS 72 H LYS 72 1.472 5.866 -1.365 522 HA LYS 72 HA LYS 72 1.238 2.988 -0.848 523 HB2 LYS 72 HB2 LYS 72 0.483 4.293 -3.475 524 HB3 LYS 72 HB3 LYS 72 0.729 2.561 -3.252 525 HG2 LYS 72 HG2 LYS 72 -1.028 2.652 -1.426 526 HG3 LYS 72 HG3 LYS 72 -1.370 4.305 -1.937 527 HD2 LYS 72 HD2 LYS 72 -1.725 3.383 -4.281 528 HD3 LYS 72 HD3 LYS 72 -1.669 1.771 -3.566 529 HE2 LYS 72 HE2 LYS 72 -3.638 3.987 -2.931 530 HE3 LYS 72 HE3 LYS 72 -3.992 2.435 -3.693 531 HZ1 LYS 72 HZ1 LYS 72 -4.537 2.499 -1.306 532 HZ2 LYS 72 HZ2 LYS 72 -2.896 2.751 -0.952 533 HZ3 LYS 72 HZ3 LYS 72 -3.395 1.303 -1.686 534 H ARG 73 H ARG 73 2.810 1.749 -2.112 535 HA ARG 73 HA ARG 73 5.301 3.281 -2.526 536 HB2 ARG 73 HB2 ARG 73 5.220 1.265 -0.986 537 HB3 ARG 73 HB3 ARG 73 4.962 0.281 -2.427 538 HG2 ARG 73 HG2 ARG 73 7.058 1.256 -3.398 539 HG3 ARG 73 HG3 ARG 73 7.335 2.085 -1.866 540 HD2 ARG 73 HD2 ARG 73 7.268 -0.146 -0.718 541 HD3 ARG 73 HD3 ARG 73 7.168 -0.909 -2.304 542 HE ARG 73 HE ARG 73 9.433 -0.495 -2.587 543 HH11 ARG 73 HH21 ARG 73 8.130 1.405 -0.005 544 HH12 ARG 73 HH22 ARG 73 9.667 2.019 0.504 545 HH21 ARG 73 HH11 ARG 73 11.456 0.298 -1.917 546 HH22 ARG 73 HH12 ARG 73 11.549 1.391 -0.576 547 H GLN 74 H GLN 74 6.459 3.158 -4.439 548 HA GLN 74 HA GLN 74 5.440 1.559 -6.667 549 HB2 GLN 74 HB2 GLN 74 4.169 3.732 -6.705 550 HB3 GLN 74 HB3 GLN 74 5.709 4.563 -6.923 551 HG2 GLN 74 HG2 GLN 74 6.123 3.235 -8.971 552 HG3 GLN 74 HG3 GLN 74 4.567 2.434 -8.758 553 HE21 GLN 74 HE21 GLN 74 2.671 4.187 -8.449 554 HE22 GLN 74 HE22 GLN 74 2.716 5.473 -9.556 555 H GLY 75 H GLY 75 7.517 0.592 -6.148 556 HA2 GLY 75 HA2 GLY 75 9.841 0.406 -6.266 557 HA3 GLY 75 HA3 GLY 75 9.442 0.759 -7.940 558 H GLN 76 H GLN 76 11.039 1.836 -5.121 559 HA GLN 76 HA GLN 76 12.746 3.350 -4.989 560 HB2 GLN 76 HB2 GLN 76 12.625 3.319 -7.616 561 HB3 GLN 76 HB3 GLN 76 11.815 4.871 -7.416 562 HG2 GLN 76 HG2 GLN 76 14.117 5.396 -7.652 563 HG3 GLN 76 HG3 GLN 76 13.782 5.546 -5.928 564 HE21 GLN 76 HE21 GLN 76 15.123 4.350 -4.555 565 HE22 GLN 76 HE22 GLN 76 16.130 3.079 -5.060 566 H SER 77 H SER 77 9.853 4.974 -6.342 567 HA SER 77 HA SER 77 9.913 6.844 -4.030 568 HB2 SER 77 HB2 SER 77 8.817 8.452 -5.503 569 HB3 SER 77 HB3 SER 77 10.332 7.907 -6.223 570 HG SER 77 HG SER 77 8.117 7.902 -7.426 571 H MET 78 H MET 78 7.963 7.405 -3.066 572 HA MET 78 HA MET 78 5.688 5.555 -3.555 573 HB2 MET 78 HB2 MET 78 5.164 6.230 -1.092 574 HB3 MET 78 HB3 MET 78 6.444 5.060 -1.397 575 HG2 MET 78 HG2 MET 78 8.154 6.672 -1.070 576 HG3 MET 78 HG3 MET 78 7.022 8.018 -1.188 577 HE1 MET 78 HE1 MET 78 7.535 9.253 0.945 578 HE2 MET 78 HE2 MET 78 8.941 8.190 0.998 579 HE3 MET 78 HE3 MET 78 7.984 8.457 2.455 580 H ILE 79 H ILE 79 4.454 6.742 -4.939 581 HA ILE 79 HA ILE 79 3.962 9.558 -4.529 582 HB ILE 79 HB ILE 79 2.776 7.508 -6.414 583 HG12 ILE 79 HG12 ILE 79 4.029 8.860 -8.093 584 HG13 ILE 79 HG13 ILE 79 4.676 9.844 -6.784 585 HG21 ILE 79 HG21 ILE 79 1.044 9.130 -6.093 586 HG22 ILE 79 HG22 ILE 79 1.867 9.593 -7.581 587 HG23 ILE 79 HG23 ILE 79 2.199 10.461 -6.082 588 HD11 ILE 79 HD11 ILE 79 6.053 8.146 -6.004 589 HD12 ILE 79 HD12 ILE 79 6.058 7.803 -7.731 590 HD13 ILE 79 HD13 ILE 79 5.032 6.861 -6.653 591 H TYR 80 H TYR 80 1.744 10.406 -4.287 592 HA TYR 80 HA TYR 80 -0.201 8.674 -2.965 593 HB2 TYR 80 HB2 TYR 80 -0.375 10.350 -1.052 594 HB3 TYR 80 HB3 TYR 80 1.030 9.285 -1.025 595 HD1 TYR 80 HD2 TYR 80 3.252 10.130 -1.833 596 HD2 TYR 80 HD1 TYR 80 -0.137 12.717 -1.312 597 HE1 TYR 80 HE2 TYR 80 4.755 12.102 -1.855 598 HE2 TYR 80 HE1 TYR 80 1.368 14.690 -1.320 599 HH TYR 80 HH TYR 80 4.718 14.439 -2.201 600 H SER 81 H SER 81 -2.152 10.096 -2.291 601 HA SER 81 HA SER 81 -2.567 12.505 -3.817 602 HB2 SER 81 HB2 SER 81 -4.254 10.126 -4.594 603 HB3 SER 81 HB3 SER 81 -4.164 11.702 -5.378 604 HG SER 81 HG SER 81 -2.610 9.508 -5.711 605 H LEU 82 H LEU 82 -5.269 12.634 -3.902 606 HA LEU 82 HA LEU 82 -5.973 13.202 -1.237 607 HB2 LEU 82 HB2 LEU 82 -7.585 12.918 -3.774 608 HB3 LEU 82 HB3 LEU 82 -8.348 13.310 -2.236 609 HG LEU 82 HG LEU 82 -6.787 15.256 -2.013 610 HD11 LEU 82 HD11 LEU 82 -5.942 14.275 -4.743 611 HD12 LEU 82 HD12 LEU 82 -4.927 14.697 -3.363 612 HD13 LEU 82 HD13 LEU 82 -5.742 15.963 -4.274 613 HD21 LEU 82 HD21 LEU 82 -8.981 15.732 -2.815 614 HD22 LEU 82 HD22 LEU 82 -8.628 15.048 -4.402 615 HD23 LEU 82 HD23 LEU 82 -7.886 16.572 -3.913 616 H ASP 83 H ASP 83 -8.494 11.448 -2.680 617 HA ASP 83 HA ASP 83 -7.919 8.895 -1.456 618 HB2 ASP 83 HB2 ASP 83 -8.645 10.097 0.528 619 HB3 ASP 83 HB3 ASP 83 -10.079 10.683 -0.311 620 H ASP 84 H ASP 84 -11.183 10.069 -1.609 621 HA ASP 84 HA ASP 84 -11.730 8.334 -3.930 622 HB2 ASP 84 HB2 ASP 84 -13.675 9.747 -2.095 623 HB3 ASP 84 HB3 ASP 84 -14.043 8.482 -3.266 624 H ILE 85 H ILE 85 -13.235 11.349 -2.823 625 HA ILE 85 HA ILE 85 -12.340 13.025 -4.875 626 HB ILE 85 HB ILE 85 -13.444 11.731 -6.488 627 HG12 ILE 85 HG12 ILE 85 -14.099 14.324 -6.254 628 HG13 ILE 85 HG13 ILE 85 -14.760 13.311 -7.520 629 HG21 ILE 85 HG21 ILE 85 -15.918 11.121 -6.161 630 HG22 ILE 85 HG22 ILE 85 -15.654 11.511 -4.462 631 HG23 ILE 85 HG23 ILE 85 -14.721 10.224 -5.226 632 HD11 ILE 85 HD11 ILE 85 -16.262 13.506 -4.926 633 HD12 ILE 85 HD12 ILE 85 -16.855 13.208 -6.556 634 HD13 ILE 85 HD13 ILE 85 -16.345 14.827 -6.086 635 H HIS 86 H HIS 86 -14.709 12.130 -2.513 636 HA HIS 86 HA HIS 86 -16.295 14.392 -2.356 637 HB2 HIS 86 HB2 HIS 86 -15.336 12.913 0.090 638 HB3 HIS 86 HB3 HIS 86 -16.906 13.664 -0.194 639 HD1 HIS 86 HD1 HIS 86 -15.244 10.459 -0.340 640 HD2 HIS 86 HD2 HIS 86 -18.343 12.269 -2.465 641 HE1 HIS 86 HE1 HIS 86 -16.477 8.597 -1.531 642 HE2 HIS 86 HE2 HIS 86 -18.365 9.683 -2.836 643 H VAL 87 H VAL 87 -13.482 13.760 -0.242 644 HA VAL 87 HA VAL 87 -13.372 16.105 1.105 645 HB VAL 87 HB VAL 87 -10.852 15.797 1.150 646 HG11 VAL 87 HG11 VAL 87 -12.311 14.730 2.799 647 HG12 VAL 87 HG12 VAL 87 -11.023 13.615 2.340 648 HG13 VAL 87 HG13 VAL 87 -12.645 13.409 1.679 649 HG21 VAL 87 HG21 VAL 87 -10.675 14.834 -1.135 650 HG22 VAL 87 HG22 VAL 87 -11.567 13.414 -0.588 651 HG23 VAL 87 HG23 VAL 87 -9.975 13.768 0.084 652 H ALA 88 H ALA 88 -12.327 15.599 -2.223 653 HA ALA 88 HA ALA 88 -10.846 17.898 -2.670 654 HB1 ALA 88 HB1 ALA 88 -11.266 16.023 -4.307 655 HB2 ALA 88 HB2 ALA 88 -11.367 17.642 -4.999 656 HB3 ALA 88 HB3 ALA 88 -12.842 16.749 -4.629 657 H THR 89 H THR 89 -14.369 17.500 -3.079 658 HA THR 89 HA THR 89 -14.951 20.128 -3.822 659 HB THR 89 HB THR 89 -17.243 19.635 -3.180 660 HG1 THR 89 HG1 THR 89 -16.816 18.690 -1.172 661 HG21 THR 89 HG21 THR 89 -17.507 17.434 -4.343 662 HG22 THR 89 HG22 THR 89 -15.757 17.224 -4.265 663 HG23 THR 89 HG23 THR 89 -16.447 18.546 -5.208 664 H MET 90 H MET 90 -14.675 18.671 -0.604 665 HA MET 90 HA MET 90 -15.706 20.615 1.018 666 HB2 MET 90 HB2 MET 90 -14.593 18.436 1.712 667 HB3 MET 90 HB3 MET 90 -13.054 19.290 1.597 668 HG2 MET 90 HG2 MET 90 -14.044 21.041 3.157 669 HG3 MET 90 HG3 MET 90 -15.386 19.928 3.419 670 HE1 MET 90 HE1 MET 90 -13.627 16.968 3.313 671 HE2 MET 90 HE2 MET 90 -15.165 17.604 3.893 672 HE3 MET 90 HE3 MET 90 -14.024 16.891 5.031 673 H LEU 91 H LEU 91 -12.437 20.585 -0.397 674 HA LEU 91 HA LEU 91 -11.501 22.952 0.763 675 HB2 LEU 91 HB2 LEU 91 -10.139 21.283 -0.552 676 HB3 LEU 91 HB3 LEU 91 -10.858 21.941 -2.015 677 HG LEU 91 HG LEU 91 -9.988 24.227 -1.269 678 HD11 LEU 91 HD11 LEU 91 -9.438 23.977 1.013 679 HD12 LEU 91 HD12 LEU 91 -7.874 23.955 0.213 680 HD13 LEU 91 HD13 LEU 91 -8.608 22.444 0.744 681 HD21 LEU 91 HD21 LEU 91 -8.958 22.899 -3.068 682 HD22 LEU 91 HD22 LEU 91 -7.987 22.033 -1.877 683 HD23 LEU 91 HD23 LEU 91 -7.729 23.757 -2.138 684 H LYS 92 H LYS 92 -13.279 22.420 -2.262 685 HA LYS 92 HA LYS 92 -13.271 25.128 -3.095 686 HB2 LYS 92 HB2 LYS 92 -13.863 22.918 -4.384 687 HB3 LYS 92 HB3 LYS 92 -15.496 23.219 -3.805 688 HG2 LYS 92 HG2 LYS 92 -13.814 25.186 -5.389 689 HG3 LYS 92 HG3 LYS 92 -15.104 24.187 -6.054 690 HD2 LYS 92 HD2 LYS 92 -16.603 25.276 -4.236 691 HD3 LYS 92 HD3 LYS 92 -15.312 26.470 -4.089 692 HE2 LYS 92 HE2 LYS 92 -16.819 27.390 -5.678 693 HE3 LYS 92 HE3 LYS 92 -15.488 26.739 -6.635 694 HZ1 LYS 92 HZ1 LYS 92 -17.521 26.046 -7.621 695 HZ2 LYS 92 HZ2 LYS 92 -18.123 25.473 -6.140 696 HZ3 LYS 92 HZ3 LYS 92 -16.820 24.683 -6.891 697 H GLN 93 H GLN 93 -15.962 23.207 -1.740 698 HA GLN 93 HA GLN 93 -17.842 25.136 -1.418 699 HB2 GLN 93 HB2 GLN 93 -18.190 22.767 -0.841 700 HB3 GLN 93 HB3 GLN 93 -17.203 22.976 0.606 701 HG2 GLN 93 HG2 GLN 93 -18.773 24.497 1.571 702 HG3 GLN 93 HG3 GLN 93 -19.646 24.670 0.049 703 HE21 GLN 93 HE21 GLN 93 -21.620 23.952 1.262 704 HE22 GLN 93 HE22 GLN 93 -21.850 22.299 1.570 705 H ALA 94 H ALA 94 -14.837 24.952 0.306 706 HA ALA 94 HA ALA 94 -15.647 26.472 2.581 707 HB1 ALA 94 HB1 ALA 94 -13.252 26.649 3.046 708 HB2 ALA 94 HB2 ALA 94 -12.878 26.070 1.423 709 HB3 ALA 94 HB3 ALA 94 -13.660 24.996 2.584 710 H ILE 95 H ILE 95 -13.443 27.382 -0.084 711 HA ILE 95 HA ILE 95 -13.513 30.144 0.506 712 HB ILE 95 HB ILE 95 -12.728 28.571 -1.947 713 HG12 ILE 95 HG12 ILE 95 -10.479 29.338 -1.310 714 HG13 ILE 95 HG13 ILE 95 -11.163 30.263 0.024 715 HG21 ILE 95 HG21 ILE 95 -13.463 30.640 -2.893 716 HG22 ILE 95 HG22 ILE 95 -11.714 30.784 -2.734 717 HG23 ILE 95 HG23 ILE 95 -12.773 31.572 -1.564 718 HD11 ILE 95 HD11 ILE 95 -11.765 28.322 1.222 719 HD12 ILE 95 HD12 ILE 95 -10.185 27.924 0.551 720 HD13 ILE 95 HD13 ILE 95 -11.645 27.294 -0.208 721 H HIS 96 H HIS 96 -15.940 28.171 -0.615 722 HA HIS 96 HA HIS 96 -17.205 29.989 -2.459 723 HB2 HIS 96 HB2 HIS 96 -17.588 27.521 -2.494 724 HB3 HIS 96 HB3 HIS 96 -18.426 27.667 -0.948 725 HD1 HIS 96 HD1 HIS 96 -18.813 30.353 -3.525 726 HD2 HIS 96 HD2 HIS 96 -20.948 27.047 -2.153 727 HE1 HIS 96 HE1 HIS 96 -21.143 30.556 -4.491 728 HE2 HIS 96 HE2 HIS 96 -22.459 28.548 -3.667 729 H HIS 97 H HIS 97 -17.742 29.053 0.937 730 HA HIS 97 HA HIS 97 -19.933 30.758 1.417 731 HB2 HIS 97 HB2 HIS 97 -19.122 28.874 2.899 732 HB3 HIS 97 HB3 HIS 97 -17.844 29.957 3.450 733 HD1 HIS 97 HD1 HIS 97 -21.341 29.087 4.041 734 HD2 HIS 97 HD2 HIS 97 -18.941 32.433 4.692 735 HE1 HIS 97 HE1 HIS 97 -22.561 30.524 5.730 736 HE2 HIS 97 HE2 HIS 97 -21.111 32.566 6.143 737 H ALA 98 H ALA 98 -16.524 31.234 2.395 738 HA ALA 98 HA ALA 98 -16.685 33.828 3.302 739 HB1 ALA 98 HB1 ALA 98 -14.327 34.017 2.874 740 HB2 ALA 98 HB2 ALA 98 -14.396 32.765 1.633 741 HB3 ALA 98 HB3 ALA 98 -14.647 32.343 3.328 742 H ASN 99 H ASN 99 -16.683 32.675 -0.007 743 HA ASN 99 HA ASN 99 -16.304 35.291 -1.169 744 HB2 ASN 99 HB2 ASN 99 -15.572 33.219 -2.315 745 HB3 ASN 99 HB3 ASN 99 -17.257 32.718 -2.449 746 HD21 ASN 99 HD21 ASN 99 -17.642 32.948 -4.689 747 HD22 ASN 99 HD22 ASN 99 -17.407 34.395 -5.543 748 H HIS 100 H HIS 100 -18.230 35.894 0.432 749 HA HIS 100 HA HIS 100 -20.498 36.409 -1.301 750 HB2 HIS 100 HB2 HIS 100 -20.742 34.685 1.171 751 HB3 HIS 100 HB3 HIS 100 -22.113 35.560 0.489 752 HD1 HIS 100 HD1 HIS 100 -21.039 32.306 0.468 753 HD2 HIS 100 HD2 HIS 100 -21.819 34.943 -2.667 754 HE1 HIS 100 HE1 HIS 100 -21.479 30.878 -1.575 755 HE2 HIS 100 HE2 HIS 100 -21.958 32.468 -3.495 756 HA PRO 101 HA PRO 101 -19.005 39.734 1.707 757 HB2 PRO 101 HB2 PRO 101 -19.940 41.192 -0.762 758 HB3 PRO 101 HB3 PRO 101 -18.582 41.569 0.314 759 HG2 PRO 101 HG2 PRO 101 -18.148 40.395 -2.020 760 HG3 PRO 101 HG3 PRO 101 -17.251 39.879 -0.582 761 HD2 PRO 101 HD2 PRO 101 -19.530 38.510 -1.978 762 HD3 PRO 101 HD3 PRO 101 -18.133 37.796 -1.145 763 H LYS 102 H LYS 102 -20.305 41.462 2.659 764 HA LYS 102 HA LYS 102 -23.033 41.878 1.999 765 HB2 LYS 102 HB2 LYS 102 -23.102 39.522 2.943 766 HB3 LYS 102 HB3 LYS 102 -22.628 40.219 4.493 767 HG2 LYS 102 HG2 LYS 102 -24.615 41.814 4.208 768 HG3 LYS 102 HG3 LYS 102 -25.144 40.754 2.902 769 HD2 LYS 102 HD2 LYS 102 -24.663 39.943 5.786 770 HD3 LYS 102 HD3 LYS 102 -26.233 40.102 4.999 771 HE2 LYS 102 HE2 LYS 102 -24.078 38.051 4.487 772 HE3 LYS 102 HE3 LYS 102 -25.772 37.784 4.898 773 HZ1 LYS 102 HZ1 LYS 102 -26.407 38.696 2.759 774 HZ2 LYS 102 HZ2 LYS 102 -25.350 37.383 2.552 775 HZ3 LYS 102 HZ3 LYS 102 -24.779 38.971 2.363 776 H GLU 103 H GLU 103 -22.462 44.030 2.284 777 HA GLU 103 HA GLU 103 -21.967 45.983 3.408 778 HB2 GLU 103 HB2 GLU 103 -24.222 45.253 4.333 779 HB3 GLU 103 HB3 GLU 103 -23.346 44.631 5.731 780 HG2 GLU 103 HG2 GLU 103 -22.386 46.871 6.127 781 HG3 GLU 103 HG3 GLU 103 -23.265 47.493 4.731 782 H ASN 9 H ASN 9 -2.280 36.573 -2.393 783 HA ASN 9 HA ASN 9 -4.845 37.163 -1.136 784 HB2 ASN 9 HB2 ASN 9 -3.543 34.743 -2.416 785 HB3 ASN 9 HB3 ASN 9 -5.179 34.751 -1.759 786 HD21 ASN 9 HD21 ASN 9 -4.132 34.527 -4.650 787 HD22 ASN 9 HD22 ASN 9 -5.002 35.720 -5.488 788 H THR 10 H THR 10 -1.786 36.584 -0.041 789 HA THR 10 HA THR 10 -1.946 34.489 1.772 790 HB THR 10 HB THR 10 -0.220 35.720 3.072 791 HG1 THR 10 HG1 THR 10 0.408 37.760 1.989 792 HG21 THR 10 HG21 THR 10 0.148 35.899 0.066 793 HG22 THR 10 HG22 THR 10 0.359 34.431 1.021 794 HG23 THR 10 HG23 THR 10 1.433 35.807 1.270 795 H ASP 11 H ASP 11 -3.508 37.572 1.838 796 HA ASP 11 HA ASP 11 -4.020 37.684 4.650 797 HB2 ASP 11 HB2 ASP 11 -5.415 39.023 2.319 798 HB3 ASP 11 HB3 ASP 11 -5.692 39.410 4.017 799 H THR 12 H THR 12 -6.282 37.127 1.937 800 HA THR 12 HA THR 12 -8.380 36.159 3.545 801 HB THR 12 HB THR 12 -8.818 36.940 1.299 802 HG1 THR 12 HG1 THR 12 -9.878 34.996 0.489 803 HG21 THR 12 HG21 THR 12 -6.623 36.259 0.342 804 HG22 THR 12 HG22 THR 12 -7.977 35.752 -0.666 805 HG23 THR 12 HG23 THR 12 -7.159 34.579 0.367 806 H LEU 13 H LEU 13 -5.577 34.586 2.174 807 HA LEU 13 HA LEU 13 -6.355 31.934 2.177 808 HB2 LEU 13 HB2 LEU 13 -4.142 32.840 1.395 809 HB3 LEU 13 HB3 LEU 13 -3.656 32.964 3.081 810 HG LEU 13 HG LEU 13 -4.114 30.500 3.329 811 HD11 LEU 13 HD11 LEU 13 -4.696 30.809 0.390 812 HD12 LEU 13 HD12 LEU 13 -5.533 29.841 1.602 813 HD13 LEU 13 HD13 LEU 13 -3.983 29.308 0.974 814 HD21 LEU 13 HD21 LEU 13 -1.847 31.238 3.080 815 HD22 LEU 13 HD22 LEU 13 -2.052 31.482 1.345 816 HD23 LEU 13 HD23 LEU 13 -2.047 29.849 2.012 817 H GLU 14 H GLU 14 -4.685 33.611 4.869 818 HA GLU 14 HA GLU 14 -5.041 31.478 6.690 819 HB2 GLU 14 HB2 GLU 14 -4.416 33.198 8.411 820 HB3 GLU 14 HB3 GLU 14 -3.284 33.078 7.065 821 HG2 GLU 14 HG2 GLU 14 -4.213 35.041 6.017 822 HG3 GLU 14 HG3 GLU 14 -5.545 35.092 7.170 823 H ARG 15 H ARG 15 -7.184 33.961 5.628 824 HA ARG 15 HA ARG 15 -8.821 34.150 7.948 825 HB2 ARG 15 HB2 ARG 15 -8.836 35.738 5.970 826 HB3 ARG 15 HB3 ARG 15 -9.731 34.502 5.086 827 HG2 ARG 15 HG2 ARG 15 -11.524 34.553 6.722 828 HG3 ARG 15 HG3 ARG 15 -10.608 35.656 7.749 829 HD2 ARG 15 HD2 ARG 15 -12.346 36.814 6.369 830 HD3 ARG 15 HD3 ARG 15 -10.712 37.398 6.060 831 HE ARG 15 HE ARG 15 -11.492 35.284 4.268 832 HH11 ARG 15 HH21 ARG 15 -11.673 38.669 4.960 833 HH12 ARG 15 HH22 ARG 15 -11.902 39.136 3.308 834 HH21 ARG 15 HH11 ARG 15 -11.799 35.888 2.099 835 HH22 ARG 15 HH12 ARG 15 -11.976 37.561 1.689 836 H VAL 16 H VAL 16 -8.410 31.757 5.525 837 HA VAL 16 HA VAL 16 -10.959 30.503 5.658 838 HB VAL 16 HB VAL 16 -8.236 29.391 4.934 839 HG11 VAL 16 HG11 VAL 16 -11.034 28.268 4.672 840 HG12 VAL 16 HG12 VAL 16 -9.649 27.535 5.481 841 HG13 VAL 16 HG13 VAL 16 -9.674 27.671 3.722 842 HG21 VAL 16 HG21 VAL 16 -9.078 29.695 2.616 843 HG22 VAL 16 HG22 VAL 16 -8.975 31.226 3.483 844 HG23 VAL 16 HG23 VAL 16 -10.539 30.442 3.261 845 H THR 17 H THR 17 -8.189 30.521 7.724 846 HA THR 17 HA THR 17 -8.942 28.104 9.170 847 HB THR 17 HB THR 17 -6.995 28.592 10.554 848 HG1 THR 17 HG1 THR 17 -6.128 30.511 10.598 849 HG21 THR 17 HG21 THR 17 -6.759 27.586 8.229 850 HG22 THR 17 HG22 THR 17 -5.307 28.358 8.866 851 HG23 THR 17 HG23 THR 17 -6.298 29.193 7.671 852 H GLU 18 H GLU 18 -9.243 31.587 9.474 853 HA GLU 18 HA GLU 18 -9.959 31.694 12.214 854 HB2 GLU 18 HB2 GLU 18 -10.675 33.528 9.911 855 HB3 GLU 18 HB3 GLU 18 -10.962 33.897 11.612 856 HG2 GLU 18 HG2 GLU 18 -8.574 33.759 12.086 857 HG3 GLU 18 HG3 GLU 18 -8.245 33.259 10.428 858 H ILE 19 H ILE 19 -11.805 31.167 9.259 859 HA ILE 19 HA ILE 19 -14.369 31.201 10.593 860 HB ILE 19 HB ILE 19 -15.223 30.365 8.419 861 HG12 ILE 19 HG12 ILE 19 -12.277 30.358 7.689 862 HG13 ILE 19 HG13 ILE 19 -13.321 28.942 7.805 863 HG21 ILE 19 HG21 ILE 19 -14.763 32.371 7.190 864 HG22 ILE 19 HG22 ILE 19 -13.209 32.585 7.996 865 HG23 ILE 19 HG23 ILE 19 -14.708 32.815 8.895 866 HD11 ILE 19 HD11 ILE 19 -13.235 29.488 5.482 867 HD12 ILE 19 HD12 ILE 19 -13.479 31.205 5.805 868 HD13 ILE 19 HD13 ILE 19 -14.802 30.065 6.049 869 H PHE 20 H PHE 20 -11.967 28.822 9.679 870 HA PHE 20 HA PHE 20 -13.601 26.527 10.123 871 HB2 PHE 20 HB2 PHE 20 -11.309 26.816 8.846 872 HB3 PHE 20 HB3 PHE 20 -10.598 26.479 10.418 873 HD1 PHE 20 HD1 PHE 20 -12.790 25.155 7.744 874 HD2 PHE 20 HD2 PHE 20 -10.680 24.265 11.378 875 HE1 PHE 20 HE1 PHE 20 -13.126 22.731 7.343 876 HE2 PHE 20 HE2 PHE 20 -11.020 21.840 10.980 877 HZ PHE 20 HZ PHE 20 -12.232 21.073 8.956 878 H LYS 21 H LYS 21 -10.885 27.846 12.036 879 HA LYS 21 HA LYS 21 -11.200 26.299 14.315 880 HB2 LYS 21 HB2 LYS 21 -9.289 27.793 13.969 881 HB3 LYS 21 HB3 LYS 21 -10.343 29.197 14.130 882 HG2 LYS 21 HG2 LYS 21 -10.822 28.674 16.429 883 HG3 LYS 21 HG3 LYS 21 -10.042 27.099 16.291 884 HD2 LYS 21 HD2 LYS 21 -8.520 28.627 17.418 885 HD3 LYS 21 HD3 LYS 21 -7.879 28.261 15.817 886 HE2 LYS 21 HE2 LYS 21 -8.496 30.375 14.958 887 HE3 LYS 21 HE3 LYS 21 -9.623 30.683 16.279 888 HZ1 LYS 21 HZ1 LYS 21 -7.367 31.837 16.334 889 HZ2 LYS 21 HZ2 LYS 21 -6.738 30.324 16.783 890 HZ3 LYS 21 HZ3 LYS 21 -7.902 31.084 17.759 891 H ALA 22 H ALA 22 -13.189 28.847 13.116 892 HA ALA 22 HA ALA 22 -14.366 29.959 15.324 893 HB1 ALA 22 HB1 ALA 22 -15.990 29.030 12.957 894 HB2 ALA 22 HB2 ALA 22 -14.876 30.393 12.857 895 HB3 ALA 22 HB3 ALA 22 -16.247 30.454 13.965 896 H LEU 23 H LEU 23 -14.703 26.691 14.162 897 HA LEU 23 HA LEU 23 -17.064 26.060 15.669 898 HB2 LEU 23 HB2 LEU 23 -14.968 24.143 14.630 899 HB3 LEU 23 HB3 LEU 23 -16.644 23.778 15.027 900 HG LEU 23 HG LEU 23 -15.780 25.711 12.855 901 HD11 LEU 23 HD11 LEU 23 -15.115 23.481 12.210 902 HD12 LEU 23 HD12 LEU 23 -16.591 23.873 11.329 903 HD13 LEU 23 HD13 LEU 23 -16.659 22.814 12.738 904 HD21 LEU 23 HD21 LEU 23 -17.963 26.320 13.530 905 HD22 LEU 23 HD22 LEU 23 -18.444 24.644 13.801 906 HD23 LEU 23 HD23 LEU 23 -18.235 25.250 12.159 907 H GLY 24 H GLY 24 -13.818 24.639 16.034 908 HA2 GLY 24 HA2 GLY 24 -12.610 24.060 17.903 909 HA3 GLY 24 HA3 GLY 24 -13.447 25.365 18.734 910 H ASP 25 H ASP 25 -14.934 24.860 20.241 911 HA ASP 25 HA ASP 25 -15.117 22.400 21.426 912 HB2 ASP 25 HB2 ASP 25 -17.210 24.580 21.290 913 HB3 ASP 25 HB3 ASP 25 -17.296 23.200 22.383 914 H TYR 26 H TYR 26 -16.413 20.600 21.289 915 HA TYR 26 HA TYR 26 -17.592 20.064 18.710 916 HB2 TYR 26 HB2 TYR 26 -18.141 17.838 19.837 917 HB3 TYR 26 HB3 TYR 26 -16.432 18.244 19.693 918 HD1 TYR 26 HD1 TYR 26 -19.285 17.933 22.005 919 HD2 TYR 26 HD2 TYR 26 -15.113 18.891 21.640 920 HE1 TYR 26 HE1 TYR 26 -19.033 17.775 24.468 921 HE2 TYR 26 HE2 TYR 26 -14.863 18.736 24.103 922 HH TYR 26 HH TYR 26 -16.911 19.031 26.183 923 H ASN 27 H ASN 27 -18.706 20.966 21.888 924 HA ASN 27 HA ASN 27 -21.367 20.121 21.791 925 HB2 ASN 27 HB2 ASN 27 -20.282 22.676 23.003 926 HB3 ASN 27 HB3 ASN 27 -21.819 21.910 23.403 927 HD21 ASN 27 HD21 ASN 27 -21.691 20.666 25.268 928 HD22 ASN 27 HD22 ASN 27 -20.302 19.849 25.804 929 H ARG 28 H ARG 28 -19.787 22.885 20.304 930 HA ARG 28 HA ARG 28 -22.137 24.273 19.517 931 HB2 ARG 28 HB2 ARG 28 -19.306 24.304 18.464 932 HB3 ARG 28 HB3 ARG 28 -20.575 25.368 17.857 933 HG2 ARG 28 HG2 ARG 28 -20.889 26.343 20.055 934 HG3 ARG 28 HG3 ARG 28 -19.773 25.181 20.775 935 HD2 ARG 28 HD2 ARG 28 -17.964 26.090 19.302 936 HD3 ARG 28 HD3 ARG 28 -19.092 27.321 18.738 937 HE ARG 28 HE ARG 28 -17.713 27.292 21.266 938 HH11 ARG 28 HH21 ARG 28 -20.542 28.301 19.547 939 HH12 ARG 28 HH22 ARG 28 -20.883 29.626 20.609 940 HH21 ARG 28 HH11 ARG 28 -18.151 29.030 22.660 941 HH22 ARG 28 HH12 ARG 28 -19.530 30.036 22.372 942 H ILE 29 H ILE 29 -20.460 21.514 18.260 943 HA ILE 29 HA ILE 29 -21.536 21.685 15.594 944 HB ILE 29 HB ILE 29 -20.314 19.322 17.037 945 HG12 ILE 29 HG12 ILE 29 -18.744 21.170 16.999 946 HG13 ILE 29 HG13 ILE 29 -18.242 19.964 15.819 947 HG21 ILE 29 HG21 ILE 29 -19.799 18.634 14.641 948 HG22 ILE 29 HG22 ILE 29 -20.934 19.885 14.135 949 HG23 ILE 29 HG23 ILE 29 -21.492 18.535 15.122 950 HD11 ILE 29 HD11 ILE 29 -19.411 22.692 15.371 951 HD12 ILE 29 HD12 ILE 29 -19.652 21.450 14.144 952 HD13 ILE 29 HD13 ILE 29 -18.021 21.934 14.598 953 H ARG 30 H ARG 30 -22.550 20.242 18.629 954 HA ARG 30 HA ARG 30 -24.472 18.450 17.534 955 HB2 ARG 30 HB2 ARG 30 -24.370 19.786 20.252 956 HB3 ARG 30 HB3 ARG 30 -25.407 18.427 19.820 957 HG2 ARG 30 HG2 ARG 30 -23.274 17.184 19.165 958 HG3 ARG 30 HG3 ARG 30 -22.384 18.484 19.959 959 HD2 ARG 30 HD2 ARG 30 -22.714 16.671 21.550 960 HD3 ARG 30 HD3 ARG 30 -23.695 18.049 22.040 961 HE ARG 30 HE ARG 30 -25.298 16.432 20.419 962 HH11 ARG 30 HH21 ARG 30 -23.597 16.285 23.429 963 HH12 ARG 30 HH22 ARG 30 -24.713 15.183 24.163 964 HH21 ARG 30 HH11 ARG 30 -26.765 14.988 21.374 965 HH22 ARG 30 HH12 ARG 30 -26.505 14.446 22.999 966 H ILE 31 H ILE 31 -24.469 21.854 18.350 967 HA ILE 31 HA ILE 31 -27.271 22.274 18.304 968 HB ILE 31 HB ILE 31 -25.232 24.337 17.469 969 HG12 ILE 31 HG12 ILE 31 -24.256 23.300 19.410 970 HG13 ILE 31 HG13 ILE 31 -24.988 24.815 19.929 971 HG21 ILE 31 HG21 ILE 31 -26.768 25.883 18.483 972 HG22 ILE 31 HG22 ILE 31 -27.708 24.572 19.196 973 HG23 ILE 31 HG23 ILE 31 -27.719 24.815 17.449 974 HD11 ILE 31 HD11 ILE 31 -25.660 23.219 21.554 975 HD12 ILE 31 HD12 ILE 31 -26.020 22.005 20.327 976 HD13 ILE 31 HD13 ILE 31 -27.068 23.412 20.509 977 H MET 32 H MET 32 -24.759 22.563 15.811 978 HA MET 32 HA MET 32 -26.349 23.507 13.715 979 HB2 MET 32 HB2 MET 32 -23.860 23.342 13.675 980 HB3 MET 32 HB3 MET 32 -24.012 21.594 13.498 981 HG2 MET 32 HG2 MET 32 -25.265 21.897 11.406 982 HG3 MET 32 HG3 MET 32 -25.177 23.648 11.592 983 HE1 MET 32 HE1 MET 32 -21.760 24.726 10.832 984 HE2 MET 32 HE2 MET 32 -23.213 24.958 11.804 985 HE3 MET 32 HE3 MET 32 -23.330 24.905 10.046 986 H GLU 33 H GLU 33 -25.770 20.199 14.843 987 HA GLU 33 HA GLU 33 -27.039 18.826 12.746 988 HB2 GLU 33 HB2 GLU 33 -25.665 17.722 14.478 989 HB3 GLU 33 HB3 GLU 33 -26.914 18.065 15.674 990 HG2 GLU 33 HG2 GLU 33 -28.487 16.642 14.586 991 HG3 GLU 33 HG3 GLU 33 -27.496 16.536 13.132 992 H LEU 34 H LEU 34 -28.326 20.397 15.621 993 HA LEU 34 HA LEU 34 -30.978 19.360 15.339 994 HB2 LEU 34 HB2 LEU 34 -30.276 20.095 17.510 995 HB3 LEU 34 HB3 LEU 34 -29.824 21.681 16.896 996 HG LEU 34 HG LEU 34 -32.124 22.274 16.506 997 HD11 LEU 34 HD11 LEU 34 -32.634 19.347 17.057 998 HD12 LEU 34 HD12 LEU 34 -33.105 20.293 15.645 999 HD13 LEU 34 HD13 LEU 34 -33.921 20.547 17.186 1000 HD21 LEU 34 HD21 LEU 34 -33.068 22.025 18.796 1001 HD22 LEU 34 HD22 LEU 34 -31.374 22.517 18.817 1002 HD23 LEU 34 HD23 LEU 34 -31.809 20.843 19.160 1003 H LEU 35 H LEU 35 -29.693 22.664 14.883 1004 HA LEU 35 HA LEU 35 -31.917 23.818 13.718 1005 HB2 LEU 35 HB2 LEU 35 -29.061 24.371 12.882 1006 HB3 LEU 35 HB3 LEU 35 -30.432 25.471 12.765 1007 HG LEU 35 HG LEU 35 -29.345 24.357 15.370 1008 HD11 LEU 35 HD11 LEU 35 -28.503 26.704 15.676 1009 HD12 LEU 35 HD12 LEU 35 -28.926 27.023 13.994 1010 HD13 LEU 35 HD13 LEU 35 -27.693 25.823 14.380 1011 HD21 LEU 35 HD21 LEU 35 -31.606 24.943 15.738 1012 HD22 LEU 35 HD22 LEU 35 -31.520 26.331 14.654 1013 HD23 LEU 35 HD23 LEU 35 -30.723 26.385 16.226 1014 H SER 36 H SER 36 -29.807 21.430 12.398 1015 HA SER 36 HA SER 36 -30.291 21.925 9.633 1016 HB2 SER 36 HB2 SER 36 -29.165 19.908 9.239 1017 HB3 SER 36 HB3 SER 36 -28.471 20.444 10.767 1018 HG SER 36 HG SER 36 -30.195 18.341 10.218 1019 H VAL 37 H VAL 37 -31.599 19.431 11.833 1020 HA VAL 37 HA VAL 37 -33.536 18.400 10.104 1021 HB VAL 37 HB VAL 37 -33.815 18.670 13.105 1022 HG11 VAL 37 HG11 VAL 37 -35.810 17.877 11.857 1023 HG12 VAL 37 HG12 VAL 37 -35.125 16.607 12.871 1024 HG13 VAL 37 HG13 VAL 37 -34.831 16.601 11.132 1025 HG21 VAL 37 HG21 VAL 37 -32.699 16.399 13.108 1026 HG22 VAL 37 HG22 VAL 37 -31.632 17.735 12.672 1027 HG23 VAL 37 HG23 VAL 37 -32.279 16.676 11.418 1028 H SER 38 H SER 38 -33.681 21.135 12.343 1029 HA SER 38 HA SER 38 -35.687 22.465 10.816 1030 HB2 SER 38 HB2 SER 38 -37.570 22.299 12.262 1031 HB3 SER 38 HB3 SER 38 -37.006 20.645 12.030 1032 HG SER 38 HG SER 38 -35.640 21.513 14.039 1033 H GLU 39 H GLU 39 -35.968 24.606 11.486 1034 HA GLU 39 HA GLU 39 -33.845 25.758 12.942 1035 HB2 GLU 39 HB2 GLU 39 -36.548 26.907 12.201 1036 HB3 GLU 39 HB3 GLU 39 -35.184 27.848 12.809 1037 HG2 GLU 39 HG2 GLU 39 -35.125 28.016 10.413 1038 HG3 GLU 39 HG3 GLU 39 -33.822 26.924 10.879 1039 H ALA 40 H ALA 40 -34.116 27.160 14.876 1040 HA ALA 40 HA ALA 40 -36.249 26.503 16.728 1041 HB1 ALA 40 HB1 ALA 40 -33.399 25.639 17.277 1042 HB2 ALA 40 HB2 ALA 40 -34.796 24.580 17.078 1043 HB3 ALA 40 HB3 ALA 40 -34.695 25.655 18.474 1044 H SER 41 H SER 41 -36.472 28.031 18.326 1045 HA SER 41 HA SER 41 -34.953 30.488 17.975 1046 HB2 SER 41 HB2 SER 41 -36.557 31.387 19.649 1047 HB3 SER 41 HB3 SER 41 -37.364 30.641 18.269 1048 HG SER 41 HG SER 41 -37.865 30.086 20.685 1049 H VAL 42 H VAL 42 -34.649 31.644 20.296 1050 HA VAL 42 HA VAL 42 -32.424 30.371 21.477 1051 HB VAL 42 HB VAL 42 -34.134 32.638 22.526 1052 HG11 VAL 42 HG11 VAL 42 -32.871 31.762 24.360 1053 HG12 VAL 42 HG12 VAL 42 -31.971 33.162 23.777 1054 HG13 VAL 42 HG13 VAL 42 -31.440 31.535 23.353 1055 HG21 VAL 42 HG21 VAL 42 -31.447 32.777 21.144 1056 HG22 VAL 42 HG22 VAL 42 -32.573 34.096 21.466 1057 HG23 VAL 42 HG23 VAL 42 -32.966 32.877 20.253 1058 H GLY 43 H GLY 43 -35.597 31.098 22.952 1059 HA2 GLY 43 HA2 GLY 43 -35.279 29.725 25.325 1060 HA3 GLY 43 HA3 GLY 43 -36.831 29.956 24.528 1061 H HIS 44 H HIS 44 -35.809 28.426 22.138 1062 HA HIS 44 HA HIS 44 -36.756 25.860 22.990 1063 HB2 HIS 44 HB2 HIS 44 -35.616 26.849 20.369 1064 HB3 HIS 44 HB3 HIS 44 -36.246 25.219 20.609 1065 HD1 HIS 44 HD1 HIS 44 -38.193 25.760 18.910 1066 HD2 HIS 44 HD2 HIS 44 -38.207 28.103 22.358 1067 HE1 HIS 44 HE1 HIS 44 -40.461 26.880 19.004 1068 HE2 HIS 44 HE2 HIS 44 -40.489 28.308 21.103 1069 H ILE 45 H ILE 45 -33.700 27.309 23.024 1070 HA ILE 45 HA ILE 45 -32.103 25.038 22.403 1071 HB ILE 45 HB ILE 45 -31.423 27.522 22.428 1072 HG12 ILE 45 HG12 ILE 45 -29.068 26.924 23.122 1073 HG13 ILE 45 HG13 ILE 45 -29.686 25.371 23.668 1074 HG21 ILE 45 HG21 ILE 45 -30.714 28.523 24.426 1075 HG22 ILE 45 HG22 ILE 45 -30.645 26.988 25.290 1076 HG23 ILE 45 HG23 ILE 45 -32.203 27.709 24.904 1077 HD11 ILE 45 HD11 ILE 45 -30.360 26.169 20.863 1078 HD12 ILE 45 HD12 ILE 45 -29.980 24.583 21.532 1079 HD13 ILE 45 HD13 ILE 45 -28.690 25.734 21.205 1080 H SER 46 H SER 46 -33.737 26.103 25.259 1081 HA SER 46 HA SER 46 -32.255 24.844 27.259 1082 HB2 SER 46 HB2 SER 46 -35.265 25.159 27.159 1083 HB3 SER 46 HB3 SER 46 -34.277 24.946 28.604 1084 HG SER 46 HG SER 46 -34.903 27.174 27.949 1085 H HIS 47 H HIS 47 -34.128 23.448 24.752 1086 HA HIS 47 HA HIS 47 -34.744 20.985 26.128 1087 HB2 HIS 47 HB2 HIS 47 -36.092 21.922 24.220 1088 HB3 HIS 47 HB3 HIS 47 -34.749 21.516 23.150 1089 HD1 HIS 47 HD1 HIS 47 -35.288 19.162 25.939 1090 HD2 HIS 47 HD2 HIS 47 -36.559 19.519 21.985 1091 HE1 HIS 47 HE1 HIS 47 -36.262 16.916 25.296 1092 HE2 HIS 47 HE2 HIS 47 -37.042 17.115 22.888 1093 H GLN 48 H GLN 48 -32.103 22.249 24.281 1094 HA GLN 48 HA GLN 48 -30.929 19.631 23.743 1095 HB2 GLN 48 HB2 GLN 48 -30.108 22.469 23.132 1096 HB3 GLN 48 HB3 GLN 48 -29.050 21.095 22.811 1097 HG2 GLN 48 HG2 GLN 48 -30.425 21.763 20.831 1098 HG3 GLN 48 HG3 GLN 48 -30.698 20.098 21.337 1099 HE21 GLN 48 HE21 GLN 48 -32.013 23.233 22.560 1100 HE22 GLN 48 HE22 GLN 48 -33.638 22.769 22.408 1101 H LEU 49 H LEU 49 -29.853 22.590 25.434 1102 HA LEU 49 HA LEU 49 -27.877 21.007 26.940 1103 HB2 LEU 49 HB2 LEU 49 -28.218 24.002 26.988 1104 HB3 LEU 49 HB3 LEU 49 -26.787 23.054 27.387 1105 HG LEU 49 HG LEU 49 -28.032 23.398 24.644 1106 HD11 LEU 49 HD11 LEU 49 -25.438 24.298 25.921 1107 HD12 LEU 49 HD12 LEU 49 -26.716 25.313 25.251 1108 HD13 LEU 49 HD13 LEU 49 -25.715 24.334 24.180 1109 HD21 LEU 49 HD21 LEU 49 -25.841 21.578 25.656 1110 HD22 LEU 49 HD22 LEU 49 -25.931 22.067 23.964 1111 HD23 LEU 49 HD23 LEU 49 -27.253 21.153 24.688 1112 H ASN 50 H ASN 50 -30.474 23.382 27.543 1113 HA ASN 50 HA ASN 50 -31.739 23.798 29.417 1114 HB2 ASN 50 HB2 ASN 50 -32.067 21.257 29.215 1115 HB3 ASN 50 HB3 ASN 50 -30.849 21.115 30.480 1116 HD21 ASN 50 HD21 ASN 50 -33.890 22.970 29.849 1117 HD22 ASN 50 HD22 ASN 50 -34.441 22.874 31.451 1118 H LEU 51 H LEU 51 -29.680 25.238 29.585 1119 HA LEU 51 HA LEU 51 -28.475 24.839 32.266 1120 HB2 LEU 51 HB2 LEU 51 -26.786 24.183 30.684 1121 HB3 LEU 51 HB3 LEU 51 -27.100 25.592 29.678 1122 HG LEU 51 HG LEU 51 -26.202 27.080 31.351 1123 HD11 LEU 51 HD11 LEU 51 -25.205 25.983 33.474 1124 HD12 LEU 51 HD12 LEU 51 -26.244 24.611 33.092 1125 HD13 LEU 51 HD13 LEU 51 -26.953 26.193 33.416 1126 HD21 LEU 51 HD21 LEU 51 -23.884 26.165 31.563 1127 HD22 LEU 51 HD22 LEU 51 -24.541 26.006 29.933 1128 HD23 LEU 51 HD23 LEU 51 -24.487 24.605 31.002 1129 H SER 52 H SER 52 -28.281 27.302 29.689 1130 HA SER 52 HA SER 52 -29.733 29.236 31.272 1131 HB2 SER 52 HB2 SER 52 -26.760 29.578 30.804 1132 HB3 SER 52 HB3 SER 52 -27.839 30.853 31.367 1133 HG SER 52 HG SER 52 -28.203 29.734 33.220 1134 H GLN 53 H GLN 53 -30.713 30.664 29.945 1135 HA GLN 53 HA GLN 53 -30.342 30.424 27.110 1136 HB2 GLN 53 HB2 GLN 53 -31.943 32.518 28.593 1137 HB3 GLN 53 HB3 GLN 53 -32.157 31.987 26.925 1138 HG2 GLN 53 HG2 GLN 53 -32.733 29.720 27.728 1139 HG3 GLN 53 HG3 GLN 53 -32.545 30.267 29.393 1140 HE21 GLN 53 HE21 GLN 53 -34.326 31.326 30.358 1141 HE22 GLN 53 HE22 GLN 53 -35.748 31.727 29.523 1142 H SER 54 H SER 54 -29.573 32.873 29.554 1143 HA SER 54 HA SER 54 -28.682 34.911 27.854 1144 HB2 SER 54 HB2 SER 54 -27.625 34.187 30.599 1145 HB3 SER 54 HB3 SER 54 -27.434 35.743 29.789 1146 HG SER 54 HG SER 54 -29.293 35.300 31.363 1147 H ASN 55 H ASN 55 -27.074 32.009 29.016 1148 HA ASN 55 HA ASN 55 -24.437 32.681 28.241 1149 HB2 ASN 55 HB2 ASN 55 -24.910 30.807 29.743 1150 HB3 ASN 55 HB3 ASN 55 -25.764 29.967 28.449 1151 HD21 ASN 55 HD21 ASN 55 -24.321 28.199 28.137 1152 HD22 ASN 55 HD22 ASN 55 -22.702 28.393 27.668 1153 H VAL 56 H VAL 56 -27.069 31.016 26.541 1154 HA VAL 56 HA VAL 56 -25.554 30.476 24.184 1155 HB VAL 56 HB VAL 56 -28.546 30.613 24.626 1156 HG11 VAL 56 HG11 VAL 56 -26.854 29.643 22.312 1157 HG12 VAL 56 HG12 VAL 56 -28.155 30.833 22.276 1158 HG13 VAL 56 HG13 VAL 56 -28.525 29.130 22.545 1159 HG21 VAL 56 HG21 VAL 56 -28.435 28.252 24.951 1160 HG22 VAL 56 HG22 VAL 56 -27.139 28.922 25.941 1161 HG23 VAL 56 HG23 VAL 56 -26.765 28.180 24.385 1162 H SER 57 H SER 57 -27.632 33.130 25.220 1163 HA SER 57 HA SER 57 -27.958 34.413 22.739 1164 HB2 SER 57 HB2 SER 57 -28.707 36.275 23.959 1165 HB3 SER 57 HB3 SER 57 -29.060 34.921 25.032 1166 HG SER 57 HG SER 57 -26.655 35.521 25.640 1167 H HIS 58 H HIS 58 -25.329 34.450 25.069 1168 HA HIS 58 HA HIS 58 -23.897 36.588 23.754 1169 HB2 HIS 58 HB2 HIS 58 -23.048 34.614 25.887 1170 HB3 HIS 58 HB3 HIS 58 -22.076 35.978 25.334 1171 HD1 HIS 58 HD1 HIS 58 -25.192 37.423 25.074 1172 HD2 HIS 58 HD2 HIS 58 -22.975 36.265 28.410 1173 HE1 HIS 58 HE1 HIS 58 -26.100 38.747 27.029 1174 HE2 HIS 58 HE2 HIS 58 -24.759 38.055 29.073 1175 H GLN 59 H GLN 59 -23.843 33.068 23.750 1176 HA GLN 59 HA GLN 59 -21.410 32.862 22.236 1177 HB2 GLN 59 HB2 GLN 59 -23.593 30.891 22.920 1178 HB3 GLN 59 HB3 GLN 59 -22.186 30.460 21.949 1179 HG2 GLN 59 HG2 GLN 59 -20.705 31.212 23.789 1180 HG3 GLN 59 HG3 GLN 59 -22.124 31.595 24.762 1181 HE21 GLN 59 HE21 GLN 59 -21.526 29.954 26.372 1182 HE22 GLN 59 HE22 GLN 59 -21.716 28.300 26.039 1183 H LEU 60 H LEU 60 -24.860 32.376 21.441 1184 HA LEU 60 HA LEU 60 -24.601 31.748 18.764 1185 HB2 LEU 60 HB2 LEU 60 -26.690 32.034 20.411 1186 HB3 LEU 60 HB3 LEU 60 -26.827 33.582 19.607 1187 HG LEU 60 HG LEU 60 -28.214 32.062 18.409 1188 HD11 LEU 60 HD11 LEU 60 -26.605 33.603 17.120 1189 HD12 LEU 60 HD12 LEU 60 -27.386 32.305 16.221 1190 HD13 LEU 60 HD13 LEU 60 -25.711 32.130 16.736 1191 HD21 LEU 60 HD21 LEU 60 -27.713 29.894 17.797 1192 HD22 LEU 60 HD22 LEU 60 -26.812 30.005 19.303 1193 HD23 LEU 60 HD23 LEU 60 -25.974 30.166 17.761 1194 H LYS 61 H LYS 61 -24.411 34.875 20.350 1195 HA LYS 61 HA LYS 61 -24.504 36.475 17.994 1196 HB2 LYS 61 HB2 LYS 61 -24.933 37.425 20.207 1197 HB3 LYS 61 HB3 LYS 61 -23.286 37.036 20.707 1198 HG2 LYS 61 HG2 LYS 61 -22.342 38.582 19.146 1199 HG3 LYS 61 HG3 LYS 61 -23.876 38.777 18.306 1200 HD2 LYS 61 HD2 LYS 61 -23.601 40.731 19.657 1201 HD3 LYS 61 HD3 LYS 61 -24.816 39.744 20.459 1202 HE2 LYS 61 HE2 LYS 61 -23.083 40.690 22.014 1203 HE3 LYS 61 HE3 LYS 61 -23.186 38.934 22.061 1204 HZ1 LYS 61 HZ1 LYS 61 -20.889 39.846 21.935 1205 HZ2 LYS 61 HZ2 LYS 61 -21.250 40.422 20.377 1206 HZ3 LYS 61 HZ3 LYS 61 -21.272 38.752 20.694 1207 H LEU 62 H LEU 62 -21.913 34.880 19.774 1208 HA LEU 62 HA LEU 62 -19.749 36.174 18.511 1209 HB2 LEU 62 HB2 LEU 62 -19.445 34.900 20.565 1210 HB3 LEU 62 HB3 LEU 62 -19.935 33.417 19.753 1211 HG LEU 62 HG LEU 62 -17.973 33.504 18.311 1212 HD11 LEU 62 HD11 LEU 62 -17.533 35.780 17.907 1213 HD12 LEU 62 HD12 LEU 62 -16.207 35.316 18.967 1214 HD13 LEU 62 HD13 LEU 62 -17.589 36.195 19.621 1215 HD21 LEU 62 HD21 LEU 62 -16.246 33.179 20.031 1216 HD22 LEU 62 HD22 LEU 62 -17.772 32.457 20.538 1217 HD23 LEU 62 HD23 LEU 62 -17.261 34.002 21.215 1218 H LEU 63 H LEU 63 -21.842 33.577 17.516 1219 HA LEU 63 HA LEU 63 -20.131 32.668 15.368 1220 HB2 LEU 63 HB2 LEU 63 -23.089 32.133 15.624 1221 HB3 LEU 63 HB3 LEU 63 -21.855 31.134 14.856 1222 HG LEU 63 HG LEU 63 -22.155 31.690 17.821 1223 HD11 LEU 63 HD11 LEU 63 -22.674 29.350 17.998 1224 HD12 LEU 63 HD12 LEU 63 -22.236 29.064 16.314 1225 HD13 LEU 63 HD13 LEU 63 -23.682 29.996 16.703 1226 HD21 LEU 63 HD21 LEU 63 -19.976 30.329 16.227 1227 HD22 LEU 63 HD22 LEU 63 -20.240 29.971 17.933 1228 HD23 LEU 63 HD23 LEU 63 -19.809 31.605 17.431 1229 H LYS 64 H LYS 64 -22.549 35.102 15.827 1230 HA LYS 64 HA LYS 64 -23.368 35.422 13.127 1231 HB2 LYS 64 HB2 LYS 64 -24.559 36.363 15.126 1232 HB3 LYS 64 HB3 LYS 64 -23.262 37.549 15.278 1233 HG2 LYS 64 HG2 LYS 64 -23.730 38.365 13.000 1234 HG3 LYS 64 HG3 LYS 64 -25.014 37.167 12.830 1235 HD2 LYS 64 HD2 LYS 64 -26.238 38.182 14.700 1236 HD3 LYS 64 HD3 LYS 64 -24.940 39.354 14.931 1237 HE2 LYS 64 HE2 LYS 64 -25.359 40.361 12.788 1238 HE3 LYS 64 HE3 LYS 64 -26.458 39.062 12.327 1239 HZ1 LYS 64 HZ1 LYS 64 -27.345 40.130 14.751 1240 HZ2 LYS 64 HZ2 LYS 64 -28.110 40.189 13.236 1241 HZ3 LYS 64 HZ3 LYS 64 -27.049 41.430 13.701 1242 H SER 65 H SER 65 -20.634 36.600 14.978 1243 HA SER 65 HA SER 65 -19.742 38.704 13.411 1244 HB2 SER 65 HB2 SER 65 -17.497 38.182 14.248 1245 HB3 SER 65 HB3 SER 65 -18.687 38.018 15.538 1246 HG SER 65 HG SER 65 -18.739 35.738 14.950 1247 H VAL 66 H VAL 66 -18.646 35.315 13.130 1248 HA VAL 66 HA VAL 66 -17.360 35.722 10.625 1249 HB VAL 66 HB VAL 66 -16.628 33.915 12.000 1250 HG11 VAL 66 HG11 VAL 66 -18.212 31.995 12.490 1251 HG12 VAL 66 HG12 VAL 66 -19.519 33.030 11.916 1252 HG13 VAL 66 HG13 VAL 66 -18.578 33.502 13.330 1253 HG21 VAL 66 HG21 VAL 66 -16.868 33.565 9.429 1254 HG22 VAL 66 HG22 VAL 66 -18.176 32.462 9.857 1255 HG23 VAL 66 HG23 VAL 66 -16.540 32.162 10.442 1256 H HIS 67 H HIS 67 -20.535 35.889 11.339 1257 HA HIS 67 HA HIS 67 -22.481 35.763 10.132 1258 HB2 HIS 67 HB2 HIS 67 -20.460 36.014 7.896 1259 HB3 HIS 67 HB3 HIS 67 -22.204 36.085 7.645 1260 HD1 HIS 67 HD1 HIS 67 -19.397 38.222 8.322 1261 HD2 HIS 67 HD2 HIS 67 -23.408 38.219 9.463 1262 HE1 HIS 67 HE1 HIS 67 -19.915 40.566 9.123 1263 HE2 HIS 67 HE2 HIS 67 -22.355 40.583 9.823 1264 H LEU 68 H LEU 68 -20.860 33.242 10.723 1265 HA LEU 68 HA LEU 68 -21.208 31.372 8.666 1266 HB2 LEU 68 HB2 LEU 68 -19.842 30.888 10.620 1267 HB3 LEU 68 HB3 LEU 68 -21.243 31.025 11.676 1268 HG LEU 68 HG LEU 68 -22.256 29.056 10.670 1269 HD11 LEU 68 HD11 LEU 68 -21.657 29.100 8.387 1270 HD12 LEU 68 HD12 LEU 68 -20.728 27.743 9.012 1271 HD13 LEU 68 HD13 LEU 68 -19.941 29.298 8.746 1272 HD21 LEU 68 HD21 LEU 68 -19.329 28.618 11.318 1273 HD22 LEU 68 HD22 LEU 68 -20.582 27.377 11.352 1274 HD23 LEU 68 HD23 LEU 68 -20.640 28.722 12.492 1275 H VAL 69 H VAL 69 -23.481 33.068 10.489 1276 HA VAL 69 HA VAL 69 -25.679 31.484 9.378 1277 HB VAL 69 HB VAL 69 -26.851 31.480 11.586 1278 HG11 VAL 69 HG11 VAL 69 -24.186 30.048 11.705 1279 HG12 VAL 69 HG12 VAL 69 -25.512 29.526 10.666 1280 HG13 VAL 69 HG13 VAL 69 -25.713 29.533 12.419 1281 HG21 VAL 69 HG21 VAL 69 -25.405 31.785 13.610 1282 HG22 VAL 69 HG22 VAL 69 -25.618 33.273 12.687 1283 HG23 VAL 69 HG23 VAL 69 -24.115 32.362 12.556 1284 H LYS 70 H LYS 70 -27.825 32.658 10.089 1285 HA LYS 70 HA LYS 70 -27.543 35.542 10.395 1286 HB2 LYS 70 HB2 LYS 70 -27.223 35.047 7.931 1287 HB3 LYS 70 HB3 LYS 70 -28.881 34.444 7.916 1288 HG2 LYS 70 HG2 LYS 70 -29.614 36.663 8.858 1289 HG3 LYS 70 HG3 LYS 70 -27.962 37.241 8.636 1290 HD2 LYS 70 HD2 LYS 70 -28.104 36.791 6.229 1291 HD3 LYS 70 HD3 LYS 70 -29.732 36.145 6.429 1292 HE2 LYS 70 HE2 LYS 70 -29.999 38.412 5.697 1293 HE3 LYS 70 HE3 LYS 70 -30.372 38.404 7.421 1294 HZ1 LYS 70 HZ1 LYS 70 -28.418 39.443 7.948 1295 HZ2 LYS 70 HZ2 LYS 70 -28.749 40.160 6.444 1296 HZ3 LYS 70 HZ3 LYS 70 -27.611 38.904 6.555 1297 H ALA 71 H ALA 71 -29.233 36.356 11.450 1298 HA ALA 71 HA ALA 71 -31.585 34.627 11.935 1299 HB1 ALA 71 HB1 ALA 71 -31.926 35.923 13.928 1300 HB2 ALA 71 HB2 ALA 71 -30.718 37.108 13.431 1301 HB3 ALA 71 HB3 ALA 71 -30.221 35.476 13.874 1302 H LYS 72 H LYS 72 -33.683 35.589 11.955 1303 HA LYS 72 HA LYS 72 -33.981 37.960 10.183 1304 HB2 LYS 72 HB2 LYS 72 -34.708 35.718 9.233 1305 HB3 LYS 72 HB3 LYS 72 -35.947 35.686 10.485 1306 HG2 LYS 72 HG2 LYS 72 -36.908 37.762 9.658 1307 HG3 LYS 72 HG3 LYS 72 -35.600 37.942 8.488 1308 HD2 LYS 72 HD2 LYS 72 -36.301 35.888 7.351 1309 HD3 LYS 72 HD3 LYS 72 -37.575 35.641 8.544 1310 HE2 LYS 72 HE2 LYS 72 -38.768 37.574 7.818 1311 HE3 LYS 72 HE3 LYS 72 -37.394 38.159 6.878 1312 HZ1 LYS 72 HZ1 LYS 72 -37.645 35.991 5.593 1313 HZ2 LYS 72 HZ2 LYS 72 -38.802 37.203 5.314 1314 HZ3 LYS 72 HZ3 LYS 72 -39.182 35.877 6.306 1315 H ARG 73 H ARG 73 -35.332 39.549 10.836 1316 HA ARG 73 HA ARG 73 -36.270 39.462 13.608 1317 HB2 ARG 73 HB2 ARG 73 -36.729 41.866 13.257 1318 HB3 ARG 73 HB3 ARG 73 -35.061 41.426 12.943 1319 HG2 ARG 73 HG2 ARG 73 -35.366 42.612 10.994 1320 HG3 ARG 73 HG3 ARG 73 -36.099 41.123 10.421 1321 HD2 ARG 73 HD2 ARG 73 -38.297 42.118 11.450 1322 HD3 ARG 73 HD3 ARG 73 -37.430 43.646 11.369 1323 HE ARG 73 HE ARG 73 -37.250 42.274 8.880 1324 HH11 ARG 73 HH21 ARG 73 -39.432 44.010 10.928 1325 HH12 ARG 73 HH22 ARG 73 -40.352 44.674 9.619 1326 HH21 ARG 73 HH11 ARG 73 -38.442 43.152 7.156 1327 HH22 ARG 73 HH12 ARG 73 -39.789 44.190 7.483 1328 H GLN 74 H GLN 74 -38.308 39.098 14.169 1329 HA GLN 74 HA GLN 74 -40.524 39.685 12.351 1330 HB2 GLN 74 HB2 GLN 74 -39.866 36.895 13.332 1331 HB3 GLN 74 HB3 GLN 74 -41.411 37.356 12.618 1332 HG2 GLN 74 HG2 GLN 74 -40.080 38.187 10.603 1333 HG3 GLN 74 HG3 GLN 74 -38.685 37.365 11.304 1334 HE21 GLN 74 HE21 GLN 74 -42.114 36.282 11.282 1335 HE22 GLN 74 HE22 GLN 74 -41.807 34.851 10.423 1336 H GLY 75 H GLY 75 -41.138 41.180 13.962 1337 HA2 GLY 75 HA2 GLY 75 -42.629 41.717 15.670 1338 HA3 GLY 75 HA3 GLY 75 -42.705 40.015 16.111 1339 H GLN 76 H GLN 76 -42.475 40.558 18.331 1340 HA GLN 76 HA GLN 76 -40.116 41.966 19.252 1341 HB2 GLN 76 HB2 GLN 76 -41.009 41.556 21.481 1342 HB3 GLN 76 HB3 GLN 76 -42.298 42.135 20.426 1343 HG2 GLN 76 HG2 GLN 76 -42.859 39.682 19.991 1344 HG3 GLN 76 HG3 GLN 76 -41.776 39.296 21.327 1345 HE21 GLN 76 HE21 GLN 76 -44.187 38.479 21.988 1346 HE22 GLN 76 HE22 GLN 76 -45.046 39.584 22.948 1347 H SER 77 H SER 77 -40.305 39.079 17.907 1348 HA SER 77 HA SER 77 -38.299 37.833 19.713 1349 HB2 SER 77 HB2 SER 77 -40.496 36.439 18.161 1350 HB3 SER 77 HB3 SER 77 -39.243 35.647 19.115 1351 HG SER 77 HG SER 77 -41.030 35.845 20.405 1352 H MET 78 H MET 78 -36.675 36.658 18.713 1353 HA MET 78 HA MET 78 -36.357 37.063 15.782 1354 HB2 MET 78 HB2 MET 78 -33.887 37.035 16.311 1355 HB3 MET 78 HB3 MET 78 -34.758 38.449 16.902 1356 HG2 MET 78 HG2 MET 78 -34.344 36.013 18.641 1357 HG3 MET 78 HG3 MET 78 -33.136 37.292 18.542 1358 HE1 MET 78 HE1 MET 78 -34.917 37.787 21.979 1359 HE2 MET 78 HE2 MET 78 -33.517 37.145 21.120 1360 HE3 MET 78 HE3 MET 78 -35.023 36.229 21.154 1361 H ILE 79 H ILE 79 -35.446 35.390 14.609 1362 HA ILE 79 HA ILE 79 -35.186 32.760 15.974 1363 HB ILE 79 HB ILE 79 -36.344 33.309 13.230 1364 HG12 ILE 79 HG12 ILE 79 -37.732 32.239 15.701 1365 HG13 ILE 79 HG13 ILE 79 -37.772 33.943 15.242 1366 HG21 ILE 79 HG21 ILE 79 -35.237 31.186 13.215 1367 HG22 ILE 79 HG22 ILE 79 -36.948 30.841 13.466 1368 HG23 ILE 79 HG23 ILE 79 -35.830 30.791 14.829 1369 HD11 ILE 79 HD11 ILE 79 -38.753 31.607 13.572 1370 HD12 ILE 79 HD12 ILE 79 -38.709 33.283 13.024 1371 HD13 ILE 79 HD13 ILE 79 -39.758 32.820 14.364 1372 H TYR 80 H TYR 80 -33.582 31.399 15.210 1373 HA TYR 80 HA TYR 80 -31.573 32.616 13.383 1374 HB2 TYR 80 HB2 TYR 80 -31.131 30.735 15.715 1375 HB3 TYR 80 HB3 TYR 80 -29.881 31.406 14.668 1376 HD1 TYR 80 HD2 TYR 80 -32.565 32.320 17.088 1377 HD2 TYR 80 HD1 TYR 80 -29.010 33.589 15.038 1378 HE1 TYR 80 HE2 TYR 80 -32.480 34.359 18.498 1379 HE2 TYR 80 HE1 TYR 80 -28.926 35.628 16.447 1380 HH TYR 80 HH TYR 80 -30.243 36.959 17.836 1381 H SER 81 H SER 81 -30.510 31.262 11.944 1382 HA SER 81 HA SER 81 -31.140 28.445 11.781 1383 HB2 SER 81 HB2 SER 81 -32.021 30.230 9.501 1384 HB3 SER 81 HB3 SER 81 -32.249 28.489 9.650 1385 HG SER 81 HG SER 81 -33.862 30.385 10.464 1386 H LEU 82 H LEU 82 -30.356 27.851 9.274 1387 HA LEU 82 HA LEU 82 -27.529 28.356 9.368 1388 HB2 LEU 82 HB2 LEU 82 -29.040 27.096 7.078 1389 HB3 LEU 82 HB3 LEU 82 -27.361 26.835 7.549 1390 HG LEU 82 HG LEU 82 -29.784 26.059 9.202 1391 HD11 LEU 82 HD11 LEU 82 -27.803 24.353 7.664 1392 HD12 LEU 82 HD12 LEU 82 -29.463 24.681 7.162 1393 HD13 LEU 82 HD13 LEU 82 -29.152 23.758 8.633 1394 HD21 LEU 82 HD21 LEU 82 -27.937 24.766 10.459 1395 HD22 LEU 82 HD22 LEU 82 -28.012 26.506 10.719 1396 HD23 LEU 82 HD23 LEU 82 -26.800 25.829 9.631 1397 H ASP 83 H ASP 83 -26.279 29.236 7.589 1398 HA ASP 83 HA ASP 83 -27.224 31.782 6.761 1399 HB2 ASP 83 HB2 ASP 83 -24.809 31.104 7.131 1400 HB3 ASP 83 HB3 ASP 83 -24.890 30.270 5.580 1401 H ASP 84 H ASP 84 -26.614 28.762 4.957 1402 HA ASP 84 HA ASP 84 -28.759 29.381 3.109 1403 HB2 ASP 84 HB2 ASP 84 -25.893 29.214 2.142 1404 HB3 ASP 84 HB3 ASP 84 -27.317 29.250 1.104 1405 H ILE 85 H ILE 85 -28.073 27.603 1.099 1406 HA ILE 85 HA ILE 85 -28.493 25.056 2.465 1407 HB ILE 85 HB ILE 85 -28.796 24.232 0.086 1408 HG12 ILE 85 HG12 ILE 85 -28.767 27.193 -0.552 1409 HG13 ILE 85 HG13 ILE 85 -27.403 26.124 -0.881 1410 HG21 ILE 85 HG21 ILE 85 -30.687 24.891 1.530 1411 HG22 ILE 85 HG22 ILE 85 -30.992 25.338 -0.149 1412 HG23 ILE 85 HG23 ILE 85 -30.497 26.567 1.015 1413 HD11 ILE 85 HD11 ILE 85 -28.691 24.800 -2.402 1414 HD12 ILE 85 HD12 ILE 85 -29.022 26.480 -2.823 1415 HD13 ILE 85 HD13 ILE 85 -30.199 25.556 -1.889 1416 H HIS 86 H HIS 86 -25.807 26.690 1.964 1417 HA HIS 86 HA HIS 86 -24.185 24.720 0.590 1418 HB2 HIS 86 HB2 HIS 86 -23.435 27.205 2.148 1419 HB3 HIS 86 HB3 HIS 86 -22.306 26.215 1.225 1420 HD1 HIS 86 HD1 HIS 86 -23.446 29.285 0.693 1421 HD2 HIS 86 HD2 HIS 86 -24.233 25.818 -1.484 1422 HE1 HIS 86 HE1 HIS 86 -24.179 30.038 -1.609 1423 HE2 HIS 86 HE2 HIS 86 -24.662 27.937 -2.950 1424 H VAL 87 H VAL 87 -23.672 26.178 3.798 1425 HA VAL 87 HA VAL 87 -22.036 24.282 4.867 1426 HB VAL 87 HB VAL 87 -22.981 24.944 7.108 1427 HG11 VAL 87 HG11 VAL 87 -22.398 27.383 6.804 1428 HG12 VAL 87 HG12 VAL 87 -22.322 27.085 5.068 1429 HG13 VAL 87 HG13 VAL 87 -21.199 26.265 6.153 1430 HG21 VAL 87 HG21 VAL 87 -24.779 26.728 5.444 1431 HG22 VAL 87 HG22 VAL 87 -24.762 26.565 7.199 1432 HG23 VAL 87 HG23 VAL 87 -25.331 25.231 6.196 1433 H ALA 88 H ALA 88 -25.400 23.928 4.171 1434 HA ALA 88 HA ALA 88 -26.089 21.887 5.983 1435 HB1 ALA 88 HB1 ALA 88 -27.896 21.357 4.408 1436 HB2 ALA 88 HB2 ALA 88 -27.111 22.330 3.167 1437 HB3 ALA 88 HB3 ALA 88 -27.746 23.101 4.620 1438 H THR 89 H THR 89 -25.235 21.528 2.531 1439 HA THR 89 HA THR 89 -24.962 18.724 2.621 1440 HB THR 89 HB THR 89 -23.636 20.681 0.727 1441 HG1 THR 89 HG1 THR 89 -26.179 19.469 0.829 1442 HG21 THR 89 HG21 THR 89 -22.651 18.474 0.545 1443 HG22 THR 89 HG22 THR 89 -23.744 18.698 -0.822 1444 HG23 THR 89 HG23 THR 89 -24.243 17.716 0.555 1445 H MET 90 H MET 90 -22.820 21.291 3.533 1446 HA MET 90 HA MET 90 -20.355 19.926 3.328 1447 HB2 MET 90 HB2 MET 90 -20.763 22.427 3.718 1448 HB3 MET 90 HB3 MET 90 -21.019 22.013 5.411 1449 HG2 MET 90 HG2 MET 90 -18.512 21.223 3.902 1450 HG3 MET 90 HG3 MET 90 -18.655 22.731 4.797 1451 HE1 MET 90 HE1 MET 90 -17.998 23.011 7.075 1452 HE2 MET 90 HE2 MET 90 -18.541 21.962 8.385 1453 HE3 MET 90 HE3 MET 90 -19.720 22.703 7.305 1454 H LEU 91 H LEU 91 -22.386 20.520 6.209 1455 HA LEU 91 HA LEU 91 -20.970 19.042 8.048 1456 HB2 LEU 91 HB2 LEU 91 -22.867 20.394 8.707 1457 HB3 LEU 91 HB3 LEU 91 -23.967 19.382 7.779 1458 HG LEU 91 HG LEU 91 -23.573 17.497 9.261 1459 HD11 LEU 91 HD11 LEU 91 -21.437 19.302 10.402 1460 HD12 LEU 91 HD12 LEU 91 -21.297 17.624 9.874 1461 HD13 LEU 91 HD13 LEU 91 -22.136 18.006 11.372 1462 HD21 LEU 91 HD21 LEU 91 -25.213 19.287 9.912 1463 HD22 LEU 91 HD22 LEU 91 -23.959 19.995 10.929 1464 HD23 LEU 91 HD23 LEU 91 -24.570 18.378 11.281 1465 H LYS 92 H LYS 92 -23.352 17.892 5.689 1466 HA LYS 92 HA LYS 92 -23.398 15.195 6.598 1467 HB2 LYS 92 HB2 LYS 92 -23.970 16.189 3.798 1468 HB3 LYS 92 HB3 LYS 92 -24.561 14.706 4.543 1469 HG2 LYS 92 HG2 LYS 92 -25.201 17.496 5.552 1470 HG3 LYS 92 HG3 LYS 92 -26.255 16.557 4.498 1471 HD2 LYS 92 HD2 LYS 92 -26.093 14.710 6.312 1472 HD3 LYS 92 HD3 LYS 92 -25.462 15.983 7.356 1473 HE2 LYS 92 HE2 LYS 92 -27.831 15.901 7.724 1474 HE3 LYS 92 HE3 LYS 92 -27.517 17.345 6.761 1475 HZ1 LYS 92 HZ1 LYS 92 -28.724 16.546 5.100 1476 HZ2 LYS 92 HZ2 LYS 92 -29.242 15.307 6.139 1477 HZ3 LYS 92 HZ3 LYS 92 -27.911 15.056 5.116 1478 H GLN 93 H GLN 93 -21.918 16.575 3.653 1479 HA GLN 93 HA GLN 93 -20.561 14.358 2.782 1480 HB2 GLN 93 HB2 GLN 93 -20.715 16.579 1.611 1481 HB3 GLN 93 HB3 GLN 93 -19.438 17.165 2.678 1482 HG2 GLN 93 HG2 GLN 93 -17.896 15.490 1.851 1483 HG3 GLN 93 HG3 GLN 93 -19.173 14.711 0.918 1484 HE21 GLN 93 HE21 GLN 93 -19.769 17.990 0.715 1485 HE22 GLN 93 HE22 GLN 93 -18.932 18.330 -0.722 1486 H ALA 94 H ALA 94 -19.883 16.245 5.595 1487 HA ALA 94 HA ALA 94 -17.120 15.506 5.840 1488 HB1 ALA 94 HB1 ALA 94 -18.935 16.398 8.080 1489 HB2 ALA 94 HB2 ALA 94 -18.268 17.528 6.901 1490 HB3 ALA 94 HB3 ALA 94 -17.188 16.604 7.944 1491 H ILE 95 H ILE 95 -19.884 14.685 7.952 1492 HA ILE 95 HA ILE 95 -18.679 12.588 9.306 1493 HB ILE 95 HB ILE 95 -20.801 13.497 10.038 1494 HG12 ILE 95 HG12 ILE 95 -21.327 10.647 9.171 1495 HG13 ILE 95 HG13 ILE 95 -20.204 11.050 10.470 1496 HG21 ILE 95 HG21 ILE 95 -21.884 12.314 7.463 1497 HG22 ILE 95 HG22 ILE 95 -21.777 14.028 7.867 1498 HG23 ILE 95 HG23 ILE 95 -22.880 12.980 8.757 1499 HD11 ILE 95 HD11 ILE 95 -21.998 12.196 11.692 1500 HD12 ILE 95 HD12 ILE 95 -22.475 10.536 11.338 1501 HD13 ILE 95 HD13 ILE 95 -23.125 11.863 10.377 1502 H HIS 96 H HIS 96 -19.592 12.743 6.036 1503 HA HIS 96 HA HIS 96 -20.062 9.941 5.606 1504 HB2 HIS 96 HB2 HIS 96 -19.409 12.213 3.717 1505 HB3 HIS 96 HB3 HIS 96 -19.759 10.567 3.187 1506 HD1 HIS 96 HD1 HIS 96 -21.802 10.892 6.018 1507 HD2 HIS 96 HD2 HIS 96 -22.054 12.459 2.163 1508 HE1 HIS 96 HE1 HIS 96 -24.223 11.545 5.668 1509 HE2 HIS 96 HE2 HIS 96 -24.394 12.509 3.326 1510 H HIS 97 H HIS 97 -17.290 12.126 5.242 1511 HA HIS 97 HA HIS 97 -15.521 10.205 4.125 1512 HB2 HIS 97 HB2 HIS 97 -15.110 12.645 4.030 1513 HB3 HIS 97 HB3 HIS 97 -14.859 12.658 5.775 1514 HD1 HIS 97 HD1 HIS 97 -13.221 11.735 2.560 1515 HD2 HIS 97 HD2 HIS 97 -12.450 11.307 6.635 1516 HE1 HIS 97 HE1 HIS 97 -10.808 10.997 2.758 1517 HE2 HIS 97 HE2 HIS 97 -10.321 10.728 5.235 1518 H ALA 98 H ALA 98 -16.758 10.666 7.282 1519 HA ALA 98 HA ALA 98 -14.569 9.398 8.686 1520 HB1 ALA 98 HB1 ALA 98 -17.380 10.151 9.511 1521 HB2 ALA 98 HB2 ALA 98 -15.883 10.988 9.918 1522 HB3 ALA 98 HB3 ALA 98 -16.214 9.395 10.597 1523 H ASN 99 H ASN 99 -18.005 8.448 8.583 1524 HA ASN 99 HA ASN 99 -17.327 5.669 8.935 1525 HB2 ASN 99 HB2 ASN 99 -20.019 6.800 8.159 1526 HB3 ASN 99 HB3 ASN 99 -19.682 5.274 8.973 1527 HD21 ASN 99 HD21 ASN 99 -20.507 8.536 9.516 1528 HD22 ASN 99 HD22 ASN 99 -20.158 8.593 11.176 1529 H HIS 100 H HIS 100 -16.280 4.770 7.233 1530 HA HIS 100 HA HIS 100 -17.761 4.355 4.784 1531 HB2 HIS 100 HB2 HIS 100 -16.580 6.621 4.554 1532 HB3 HIS 100 HB3 HIS 100 -15.071 5.712 4.552 1533 HD1 HIS 100 HD1 HIS 100 -15.659 7.187 2.017 1534 HD2 HIS 100 HD2 HIS 100 -17.102 3.334 2.689 1535 HE1 HIS 100 HE1 HIS 100 -16.169 6.210 -0.260 1536 HE2 HIS 100 HE2 HIS 100 -17.045 3.859 0.129 1537 HA PRO 101 HA PRO 101 -14.550 1.193 6.104 1538 HB2 PRO 101 HB2 PRO 101 -16.208 -0.792 6.956 1539 HB3 PRO 101 HB3 PRO 101 -15.742 0.559 8.007 1540 HG2 PRO 101 HG2 PRO 101 -18.251 0.190 6.410 1541 HG3 PRO 101 HG3 PRO 101 -18.066 0.716 8.092 1542 HD2 PRO 101 HD2 PRO 101 -18.440 2.483 6.023 1543 HD3 PRO 101 HD3 PRO 101 -17.511 2.900 7.480 1544 H LYS 102 H LYS 102 -13.889 -0.561 4.866 1545 HA LYS 102 HA LYS 102 -15.126 -0.811 2.274 1546 HB2 LYS 102 HB2 LYS 102 -12.593 -0.886 2.937 1547 HB3 LYS 102 HB3 LYS 102 -12.900 -2.586 3.272 1548 HG2 LYS 102 HG2 LYS 102 -13.385 -1.162 0.637 1549 HG3 LYS 102 HG3 LYS 102 -12.089 -2.305 0.980 1550 HD2 LYS 102 HD2 LYS 102 -14.001 -3.958 1.598 1551 HD3 LYS 102 HD3 LYS 102 -15.052 -2.831 0.737 1552 HE2 LYS 102 HE2 LYS 102 -12.586 -4.158 -0.423 1553 HE3 LYS 102 HE3 LYS 102 -14.252 -4.630 -0.754 1554 HZ1 LYS 102 HZ1 LYS 102 -12.876 -2.871 -2.218 1555 HZ2 LYS 102 HZ2 LYS 102 -13.664 -1.823 -1.139 1556 HZ3 LYS 102 HZ3 LYS 102 -14.569 -2.888 -2.105 1557 H GLU 103 H GLU 103 -16.978 -1.936 2.165 1558 HA GLU 103 HA GLU 103 -16.949 -4.756 2.766 1559 HB2 GLU 103 HB2 GLU 103 -17.483 -3.665 4.982 1560 HB3 GLU 103 HB3 GLU 103 -18.959 -3.045 4.242 1561 HG2 GLU 103 HG2 GLU 103 -19.651 -5.354 3.697 1562 HG3 GLU 103 HG3 GLU 103 -18.183 -5.970 4.452 Start of MODEL 20 1 H ASN 9 H ASN 9 -20.382 8.853 18.095 2 HA ASN 9 HA ASN 9 -22.483 9.421 19.281 3 HB2 ASN 9 HB2 ASN 9 -22.517 8.369 21.638 4 HB3 ASN 9 HB3 ASN 9 -23.082 7.370 20.301 5 HD21 ASN 9 HD21 ASN 9 -22.446 5.538 21.861 6 HD22 ASN 9 HD22 ASN 9 -20.827 5.030 21.857 7 H THR 10 H THR 10 -20.423 8.556 21.927 8 HA THR 10 HA THR 10 -19.684 11.316 22.339 9 HB THR 10 HB THR 10 -18.517 10.425 24.344 10 HG1 THR 10 HG1 THR 10 -19.488 7.939 23.390 11 HG21 THR 10 HG21 THR 10 -20.878 10.986 24.523 12 HG22 THR 10 HG22 THR 10 -20.573 9.513 25.443 13 HG23 THR 10 HG23 THR 10 -21.335 9.419 23.855 14 H ASP 11 H ASP 11 -18.182 8.417 21.087 15 HA ASP 11 HA ASP 11 -15.504 9.533 21.079 16 HB2 ASP 11 HB2 ASP 11 -16.488 7.094 19.594 17 HB3 ASP 11 HB3 ASP 11 -14.835 7.471 20.077 18 H THR 12 H THR 12 -18.275 9.610 19.062 19 HA THR 12 HA THR 12 -16.895 10.032 16.572 20 HB THR 12 HB THR 12 -19.758 10.702 17.295 21 HG1 THR 12 HG1 THR 12 -18.888 8.399 15.943 22 HG21 THR 12 HG21 THR 12 -18.266 10.327 14.688 23 HG22 THR 12 HG22 THR 12 -19.123 11.767 15.241 24 HG23 THR 12 HG23 THR 12 -20.026 10.318 14.796 25 H LEU 13 H LEU 13 -19.055 12.222 18.395 26 HA LEU 13 HA LEU 13 -18.332 14.582 17.136 27 HB2 LEU 13 HB2 LEU 13 -19.327 13.964 19.910 28 HB3 LEU 13 HB3 LEU 13 -18.933 15.622 19.463 29 HG LEU 13 HG LEU 13 -20.538 15.593 17.662 30 HD11 LEU 13 HD11 LEU 13 -21.979 13.527 17.350 31 HD12 LEU 13 HD12 LEU 13 -20.814 12.659 18.350 32 HD13 LEU 13 HD13 LEU 13 -20.309 13.357 16.812 33 HD21 LEU 13 HD21 LEU 13 -21.443 16.064 19.891 34 HD22 LEU 13 HD22 LEU 13 -21.685 14.340 20.176 35 HD23 LEU 13 HD23 LEU 13 -22.629 15.170 18.940 36 H GLU 14 H GLU 14 -16.542 12.668 19.384 37 HA GLU 14 HA GLU 14 -14.736 14.654 20.322 38 HB2 GLU 14 HB2 GLU 14 -15.075 12.326 21.283 39 HB3 GLU 14 HB3 GLU 14 -14.113 11.722 19.934 40 HG2 GLU 14 HG2 GLU 14 -12.580 12.052 21.741 41 HG3 GLU 14 HG3 GLU 14 -12.319 13.395 20.630 42 H ARG 15 H ARG 15 -14.360 12.169 17.782 43 HA ARG 15 HA ARG 15 -11.895 13.185 16.816 44 HB2 ARG 15 HB2 ARG 15 -12.836 10.857 16.442 45 HB3 ARG 15 HB3 ARG 15 -13.894 11.571 15.223 46 HG2 ARG 15 HG2 ARG 15 -11.837 12.509 14.106 47 HG3 ARG 15 HG3 ARG 15 -10.862 11.576 15.240 48 HD2 ARG 15 HD2 ARG 15 -12.968 10.323 13.464 49 HD3 ARG 15 HD3 ARG 15 -11.282 10.475 12.987 50 HE ARG 15 HE ARG 15 -10.703 8.842 14.563 51 HH11 ARG 15 HH21 ARG 15 -14.034 9.766 14.810 52 HH12 ARG 15 HH22 ARG 15 -14.461 8.443 15.842 53 HH21 ARG 15 HH11 ARG 15 -11.261 7.115 15.917 54 HH22 ARG 15 HH12 ARG 15 -12.894 6.946 16.471 55 H VAL 16 H VAL 16 -15.245 13.579 15.679 56 HA VAL 16 HA VAL 16 -14.826 15.013 13.366 57 HB VAL 16 HB VAL 16 -16.991 15.470 15.431 58 HG11 VAL 16 HG11 VAL 16 -16.687 16.277 12.532 59 HG12 VAL 16 HG12 VAL 16 -17.024 17.316 13.917 60 HG13 VAL 16 HG13 VAL 16 -18.258 16.200 13.330 61 HG21 VAL 16 HG21 VAL 16 -18.251 13.820 14.250 62 HG22 VAL 16 HG22 VAL 16 -16.652 13.114 14.483 63 HG23 VAL 16 HG23 VAL 16 -17.096 13.791 12.917 64 H THR 17 H THR 17 -14.048 15.943 16.553 65 HA THR 17 HA THR 17 -14.012 18.820 15.971 66 HB THR 17 HB THR 17 -13.187 17.308 18.461 67 HG1 THR 17 HG1 THR 17 -15.465 18.883 18.331 68 HG21 THR 17 HG21 THR 17 -13.578 20.240 17.819 69 HG22 THR 17 HG22 THR 17 -12.121 19.454 18.429 70 HG23 THR 17 HG23 THR 17 -13.535 19.620 19.470 71 H GLU 18 H GLU 18 -11.840 16.090 16.372 72 HA GLU 18 HA GLU 18 -9.449 17.715 16.390 73 HB2 GLU 18 HB2 GLU 18 -9.837 14.725 16.123 74 HB3 GLU 18 HB3 GLU 18 -8.281 15.531 16.326 75 HG2 GLU 18 HG2 GLU 18 -9.205 16.559 18.449 76 HG3 GLU 18 HG3 GLU 18 -10.598 15.494 18.275 77 H ILE 19 H ILE 19 -11.471 16.279 13.994 78 HA ILE 19 HA ILE 19 -9.614 15.816 11.940 79 HB ILE 19 HB ILE 19 -12.043 15.138 11.948 80 HG12 ILE 19 HG12 ILE 19 -11.152 16.682 9.497 81 HG13 ILE 19 HG13 ILE 19 -10.558 15.078 9.925 82 HG21 ILE 19 HG21 ILE 19 -12.776 17.525 12.584 83 HG22 ILE 19 HG22 ILE 19 -13.734 16.692 11.361 84 HG23 ILE 19 HG23 ILE 19 -12.559 17.916 10.879 85 HD11 ILE 19 HD11 ILE 19 -12.423 14.944 8.301 86 HD12 ILE 19 HD12 ILE 19 -13.464 15.799 9.439 87 HD13 ILE 19 HD13 ILE 19 -12.854 14.193 9.838 88 H PHE 20 H PHE 20 -11.450 18.743 12.770 89 HA PHE 20 HA PHE 20 -10.362 20.324 10.653 90 HB2 PHE 20 HB2 PHE 20 -11.676 21.132 13.260 91 HB3 PHE 20 HB3 PHE 20 -11.306 22.233 11.934 92 HD1 PHE 20 HD2 PHE 20 -12.167 21.459 9.553 93 HD2 PHE 20 HD1 PHE 20 -13.795 20.109 13.292 94 HE1 PHE 20 HE2 PHE 20 -14.271 20.823 8.406 95 HE2 PHE 20 HE1 PHE 20 -15.899 19.470 12.144 96 HZ PHE 20 HZ PHE 20 -16.137 19.827 9.702 97 H LYS 21 H LYS 21 -9.726 20.233 14.163 98 HA LYS 21 HA LYS 21 -7.787 22.101 14.444 99 HB2 LYS 21 HB2 LYS 21 -8.691 20.544 16.220 100 HB3 LYS 21 HB3 LYS 21 -7.536 19.340 15.648 101 HG2 LYS 21 HG2 LYS 21 -5.704 21.029 16.025 102 HG3 LYS 21 HG3 LYS 21 -6.904 22.080 16.778 103 HD2 LYS 21 HD2 LYS 21 -7.388 20.372 18.462 104 HD3 LYS 21 HD3 LYS 21 -6.271 19.254 17.680 105 HE2 LYS 21 HE2 LYS 21 -5.073 20.238 19.511 106 HE3 LYS 21 HE3 LYS 21 -4.456 21.001 18.045 107 HZ1 LYS 21 HZ1 LYS 21 -4.878 22.840 19.278 108 HZ2 LYS 21 HZ2 LYS 21 -6.136 22.115 20.160 109 HZ3 LYS 21 HZ3 LYS 21 -6.413 22.660 18.575 110 H ALA 22 H ALA 22 -7.386 18.926 12.967 111 HA ALA 22 HA ALA 22 -4.566 18.911 12.875 112 HB1 ALA 22 HB1 ALA 22 -6.455 17.569 10.930 113 HB2 ALA 22 HB2 ALA 22 -6.052 16.925 12.522 114 HB3 ALA 22 HB3 ALA 22 -4.795 17.099 11.298 115 H LEU 23 H LEU 23 -6.929 20.520 10.911 116 HA LEU 23 HA LEU 23 -5.001 21.106 8.768 117 HB2 LEU 23 HB2 LEU 23 -7.964 21.539 9.129 118 HB3 LEU 23 HB3 LEU 23 -7.072 22.359 7.850 119 HG LEU 23 HG LEU 23 -6.383 20.260 6.884 120 HD11 LEU 23 HD11 LEU 23 -7.318 18.111 7.949 121 HD12 LEU 23 HD12 LEU 23 -7.587 19.086 9.394 122 HD13 LEU 23 HD13 LEU 23 -5.953 18.873 8.765 123 HD21 LEU 23 HD21 LEU 23 -8.529 19.379 6.201 124 HD22 LEU 23 HD22 LEU 23 -8.709 21.119 6.425 125 HD23 LEU 23 HD23 LEU 23 -9.302 20.006 7.657 126 H GLY 24 H GLY 24 -4.968 22.175 11.651 127 HA2 GLY 24 HA2 GLY 24 -5.531 24.975 11.461 128 HA3 GLY 24 HA3 GLY 24 -4.618 24.180 12.738 129 H ASP 25 H ASP 25 -2.461 23.153 11.620 130 HA ASP 25 HA ASP 25 -0.660 25.193 11.311 131 HB2 ASP 25 HB2 ASP 25 -0.606 22.398 10.171 132 HB3 ASP 25 HB3 ASP 25 0.775 23.493 10.098 133 H TYR 26 H TYR 26 -0.805 26.845 9.935 134 HA TYR 26 HA TYR 26 -2.165 26.998 7.556 135 HB2 TYR 26 HB2 TYR 26 0.441 28.448 8.007 136 HB3 TYR 26 HB3 TYR 26 -0.974 29.000 7.112 137 HD1 TYR 26 HD1 TYR 26 0.420 28.356 10.472 138 HD2 TYR 26 HD2 TYR 26 -2.925 29.882 8.250 139 HE1 TYR 26 HE1 TYR 26 -0.488 29.376 12.541 140 HE2 TYR 26 HE2 TYR 26 -3.838 30.896 10.321 141 HH TYR 26 HH TYR 26 -3.276 30.110 13.153 142 H ASN 27 H ASN 27 1.207 26.011 8.047 143 HA ASN 27 HA ASN 27 1.874 25.836 5.304 144 HB2 ASN 27 HB2 ASN 27 3.780 24.425 6.128 145 HB3 ASN 27 HB3 ASN 27 3.627 25.979 6.945 146 HD21 ASN 27 HD21 ASN 27 4.382 25.455 9.040 147 HD22 ASN 27 HD22 ASN 27 3.693 24.247 10.013 148 H ARG 28 H ARG 28 0.345 23.590 7.512 149 HA ARG 28 HA ARG 28 0.770 21.252 5.947 150 HB2 ARG 28 HB2 ARG 28 0.269 21.190 8.361 151 HB3 ARG 28 HB3 ARG 28 -1.354 21.798 8.031 152 HG2 ARG 28 HG2 ARG 28 -1.971 19.827 6.857 153 HG3 ARG 28 HG3 ARG 28 -0.297 19.291 6.714 154 HD2 ARG 28 HD2 ARG 28 -1.846 19.529 9.310 155 HD3 ARG 28 HD3 ARG 28 -1.504 18.024 8.462 156 HE ARG 28 HE ARG 28 0.966 19.149 8.832 157 HH11 ARG 28 HH21 ARG 28 -1.730 18.351 10.850 158 HH12 ARG 28 HH22 ARG 28 -0.764 18.035 12.252 159 HH21 ARG 28 HH11 ARG 28 2.239 18.742 10.667 160 HH22 ARG 28 HH12 ARG 28 1.483 18.258 12.150 161 H ILE 29 H ILE 29 -1.985 23.482 6.260 162 HA ILE 29 HA ILE 29 -3.701 22.021 4.530 163 HB ILE 29 HB ILE 29 -4.948 24.231 4.393 164 HG12 ILE 29 HG12 ILE 29 -2.853 25.071 6.415 165 HG13 ILE 29 HG13 ILE 29 -2.877 25.622 4.739 166 HG21 ILE 29 HG21 ILE 29 -4.198 23.164 7.133 167 HG22 ILE 29 HG22 ILE 29 -5.460 22.514 6.085 168 HG23 ILE 29 HG23 ILE 29 -5.628 24.130 6.769 169 HD11 ILE 29 HD11 ILE 29 -5.046 26.049 6.815 170 HD12 ILE 29 HD12 ILE 29 -5.202 26.482 5.113 171 HD13 ILE 29 HD13 ILE 29 -3.998 27.285 6.120 172 H ARG 30 H ARG 30 -1.101 24.250 3.971 173 HA ARG 30 HA ARG 30 -1.841 25.082 1.355 174 HB2 ARG 30 HB2 ARG 30 -0.185 26.287 2.728 175 HB3 ARG 30 HB3 ARG 30 0.902 24.902 2.631 176 HG2 ARG 30 HG2 ARG 30 1.156 25.155 0.260 177 HG3 ARG 30 HG3 ARG 30 -0.162 26.324 0.180 178 HD2 ARG 30 HD2 ARG 30 1.146 27.910 1.530 179 HD3 ARG 30 HD3 ARG 30 2.456 26.740 1.653 180 HE ARG 30 HE ARG 30 3.085 27.275 -0.522 181 HH11 ARG 30 HH21 ARG 30 -0.065 28.501 0.222 182 HH12 ARG 30 HH22 ARG 30 -0.184 29.455 -1.218 183 HH21 ARG 30 HH11 ARG 30 2.938 28.530 -2.408 184 HH22 ARG 30 HH12 ARG 30 1.518 29.475 -2.706 185 H ILE 31 H ILE 31 -0.229 22.258 2.641 186 HA ILE 31 HA ILE 31 0.991 21.379 0.243 187 HB ILE 31 HB ILE 31 -0.015 19.522 2.399 188 HG12 ILE 31 HG12 ILE 31 0.984 21.334 3.619 189 HG13 ILE 31 HG13 ILE 31 2.160 20.023 3.571 190 HG21 ILE 31 HG21 ILE 31 1.065 18.516 0.435 191 HG22 ILE 31 HG22 ILE 31 2.090 18.337 1.859 192 HG23 ILE 31 HG23 ILE 31 2.464 19.567 0.652 193 HD11 ILE 31 HD11 ILE 31 3.097 21.205 1.468 194 HD12 ILE 31 HD12 ILE 31 3.423 21.947 3.032 195 HD13 ILE 31 HD13 ILE 31 2.151 22.596 1.997 196 H MET 32 H MET 32 -1.872 19.960 1.846 197 HA MET 32 HA MET 32 -2.734 18.302 -0.130 198 HB2 MET 32 HB2 MET 32 -5.066 18.713 0.710 199 HB3 MET 32 HB3 MET 32 -3.891 18.359 1.975 200 HG2 MET 32 HG2 MET 32 -3.616 20.822 2.336 201 HG3 MET 32 HG3 MET 32 -4.913 21.097 1.172 202 HE1 MET 32 HE1 MET 32 -7.170 21.907 3.962 203 HE2 MET 32 HE2 MET 32 -7.265 21.698 2.214 204 HE3 MET 32 HE3 MET 32 -5.874 22.512 2.928 205 H GLU 33 H GLU 33 -3.283 21.798 0.034 206 HA GLU 33 HA GLU 33 -5.082 22.107 -2.058 207 HB2 GLU 33 HB2 GLU 33 -4.179 23.901 -0.492 208 HB3 GLU 33 HB3 GLU 33 -2.772 23.985 -1.552 209 HG2 GLU 33 HG2 GLU 33 -4.315 24.415 -3.477 210 HG3 GLU 33 HG3 GLU 33 -5.660 24.468 -2.339 211 H LEU 34 H LEU 34 -1.525 22.048 -2.204 212 HA LEU 34 HA LEU 34 -1.251 22.445 -4.955 213 HB2 LEU 34 HB2 LEU 34 0.667 22.580 -3.501 214 HB3 LEU 34 HB3 LEU 34 0.466 20.905 -2.995 215 HG LEU 34 HG LEU 34 1.050 20.100 -5.200 216 HD11 LEU 34 HD11 LEU 34 0.073 21.640 -6.708 217 HD12 LEU 34 HD12 LEU 34 1.801 21.895 -6.919 218 HD13 LEU 34 HD13 LEU 34 0.858 23.022 -5.943 219 HD21 LEU 34 HD21 LEU 34 2.882 20.766 -3.637 220 HD22 LEU 34 HD22 LEU 34 2.941 22.339 -4.432 221 HD23 LEU 34 HD23 LEU 34 3.351 20.880 -5.334 222 H LEU 35 H LEU 35 -1.469 19.403 -3.113 223 HA LEU 35 HA LEU 35 -1.329 17.677 -5.347 224 HB2 LEU 35 HB2 LEU 35 -2.414 17.368 -2.548 225 HB3 LEU 35 HB3 LEU 35 -2.528 16.058 -3.721 226 HG LEU 35 HG LEU 35 -0.058 16.188 -4.053 227 HD11 LEU 35 HD11 LEU 35 -0.353 18.300 -1.912 228 HD12 LEU 35 HD12 LEU 35 0.508 18.408 -3.448 229 HD13 LEU 35 HD13 LEU 35 1.163 17.428 -2.138 230 HD21 LEU 35 HD21 LEU 35 0.490 15.029 -2.013 231 HD22 LEU 35 HD22 LEU 35 -1.191 14.651 -2.390 232 HD23 LEU 35 HD23 LEU 35 -0.812 15.836 -1.140 233 H SER 36 H SER 36 -3.701 19.883 -4.500 234 HA SER 36 HA SER 36 -6.021 18.394 -5.305 235 HB2 SER 36 HB2 SER 36 -7.223 20.351 -4.891 236 HB3 SER 36 HB3 SER 36 -5.824 20.576 -3.842 237 HG SER 36 HG SER 36 -6.632 22.143 -5.768 238 H VAL 37 H VAL 37 -4.362 21.179 -6.817 239 HA VAL 37 HA VAL 37 -5.648 20.888 -9.323 240 HB VAL 37 HB VAL 37 -2.943 22.144 -8.814 241 HG11 VAL 37 HG11 VAL 37 -3.579 23.550 -10.730 242 HG12 VAL 37 HG12 VAL 37 -5.116 22.695 -10.858 243 HG13 VAL 37 HG13 VAL 37 -3.605 21.846 -11.183 244 HG21 VAL 37 HG21 VAL 37 -5.750 23.198 -8.389 245 HG22 VAL 37 HG22 VAL 37 -4.342 24.251 -8.538 246 HG23 VAL 37 HG23 VAL 37 -4.446 23.102 -7.204 247 H SER 38 H SER 38 -2.561 19.707 -8.057 248 HA SER 38 HA SER 38 -2.549 17.534 -9.964 249 HB2 SER 38 HB2 SER 38 -0.249 19.502 -10.035 250 HB3 SER 38 HB3 SER 38 -0.470 18.077 -11.050 251 HG SER 38 HG SER 38 -1.455 19.399 -12.339 252 H GLU 39 H GLU 39 -1.536 15.792 -9.096 253 HA GLU 39 HA GLU 39 -0.874 15.633 -6.431 254 HB2 GLU 39 HB2 GLU 39 0.104 13.996 -8.775 255 HB3 GLU 39 HB3 GLU 39 0.457 13.578 -7.099 256 HG2 GLU 39 HG2 GLU 39 -1.526 12.360 -7.806 257 HG3 GLU 39 HG3 GLU 39 -2.004 13.587 -6.635 258 H ALA 40 H ALA 40 1.407 14.875 -5.664 259 HA ALA 40 HA ALA 40 3.642 16.270 -6.873 260 HB1 ALA 40 HB1 ALA 40 2.724 18.139 -5.679 261 HB2 ALA 40 HB2 ALA 40 4.106 17.560 -4.749 262 HB3 ALA 40 HB3 ALA 40 2.466 17.164 -4.232 263 H SER 41 H SER 41 5.543 15.326 -6.342 264 HA SER 41 HA SER 41 5.436 12.902 -4.736 265 HB2 SER 41 HB2 SER 41 7.711 12.534 -5.560 266 HB3 SER 41 HB3 SER 41 6.635 12.941 -6.896 267 HG SER 41 HG SER 41 7.606 15.190 -5.856 268 H VAL 42 H VAL 42 8.046 12.827 -3.802 269 HA VAL 42 HA VAL 42 7.782 14.385 -1.375 270 HB VAL 42 HB VAL 42 9.869 12.404 -2.313 271 HG11 VAL 42 HG11 VAL 42 10.984 13.850 -0.773 272 HG12 VAL 42 HG12 VAL 42 10.498 12.437 0.163 273 HG13 VAL 42 HG13 VAL 42 9.572 13.936 0.281 274 HG21 VAL 42 HG21 VAL 42 7.807 12.154 -0.113 275 HG22 VAL 42 HG22 VAL 42 8.774 10.871 -0.842 276 HG23 VAL 42 HG23 VAL 42 7.490 11.643 -1.771 277 H GLY 43 H GLY 43 10.525 13.964 -3.628 278 HA2 GLY 43 HA2 GLY 43 11.935 16.216 -2.711 279 HA3 GLY 43 HA3 GLY 43 12.218 15.392 -4.239 280 H HIS 44 H HIS 44 9.781 15.836 -5.532 281 HA HIS 44 HA HIS 44 10.174 18.223 -6.811 282 HB2 HIS 44 HB2 HIS 44 8.643 16.413 -7.568 283 HB3 HIS 44 HB3 HIS 44 7.477 16.931 -6.350 284 HD1 HIS 44 HD1 HIS 44 5.848 18.654 -7.115 285 HD2 HIS 44 HD2 HIS 44 9.330 18.724 -9.406 286 HE1 HIS 44 HE1 HIS 44 5.475 20.378 -8.930 287 HE2 HIS 44 HE2 HIS 44 7.586 20.430 -10.340 288 H ILE 45 H ILE 45 8.556 17.703 -3.760 289 HA ILE 45 HA ILE 45 7.230 20.249 -3.711 290 HB ILE 45 HB ILE 45 7.832 18.255 -1.516 291 HG12 ILE 45 HG12 ILE 45 5.197 18.902 -2.853 292 HG13 ILE 45 HG13 ILE 45 6.272 17.643 -3.461 293 HG21 ILE 45 HG21 ILE 45 6.245 20.829 -1.543 294 HG22 ILE 45 HG22 ILE 45 7.522 20.351 -0.424 295 HG23 ILE 45 HG23 ILE 45 5.948 19.559 -0.356 296 HD11 ILE 45 HD11 ILE 45 4.632 16.637 -1.960 297 HD12 ILE 45 HD12 ILE 45 5.049 17.787 -0.688 298 HD13 ILE 45 HD13 ILE 45 6.223 16.574 -1.201 299 H SER 46 H SER 46 10.318 19.007 -2.540 300 HA SER 46 HA SER 46 11.130 20.882 -0.744 301 HB2 SER 46 HB2 SER 46 12.451 18.911 -1.671 302 HB3 SER 46 HB3 SER 46 12.921 19.972 -2.998 303 HG SER 46 HG SER 46 13.405 21.441 -1.021 304 H HIS 47 H HIS 47 11.017 21.269 -4.264 305 HA HIS 47 HA HIS 47 12.259 23.856 -4.234 306 HB2 HIS 47 HB2 HIS 47 10.579 22.578 -6.404 307 HB3 HIS 47 HB3 HIS 47 11.690 23.935 -6.595 308 HD1 HIS 47 HD1 HIS 47 12.976 21.431 -4.270 309 HD2 HIS 47 HD2 HIS 47 13.093 22.017 -8.396 310 HE1 HIS 47 HE1 HIS 47 14.839 19.961 -5.149 311 HE2 HIS 47 HE2 HIS 47 14.925 20.306 -7.663 312 H GLN 48 H GLN 48 9.068 22.698 -3.696 313 HA GLN 48 HA GLN 48 7.702 25.120 -4.448 314 HB2 GLN 48 HB2 GLN 48 6.750 22.827 -2.716 315 HB3 GLN 48 HB3 GLN 48 5.738 24.069 -3.452 316 HG2 GLN 48 HG2 GLN 48 7.525 22.205 -5.035 317 HG3 GLN 48 HG3 GLN 48 5.814 21.901 -4.741 318 HE21 GLN 48 HE21 GLN 48 7.895 23.228 -7.003 319 HE22 GLN 48 HE22 GLN 48 6.811 24.282 -7.773 320 H LEU 49 H LEU 49 8.284 23.544 -1.294 321 HA LEU 49 HA LEU 49 7.618 26.006 0.120 322 HB2 LEU 49 HB2 LEU 49 8.678 23.459 1.337 323 HB3 LEU 49 HB3 LEU 49 7.679 24.701 2.090 324 HG LEU 49 HG LEU 49 6.827 22.839 -0.148 325 HD11 LEU 49 HD11 LEU 49 5.930 23.032 2.744 326 HD12 LEU 49 HD12 LEU 49 7.011 21.795 2.103 327 HD13 LEU 49 HD13 LEU 49 5.341 21.881 1.544 328 HD21 LEU 49 HD21 LEU 49 4.543 23.882 0.434 329 HD22 LEU 49 HD22 LEU 49 5.659 24.880 -0.495 330 HD23 LEU 49 HD23 LEU 49 5.462 25.155 1.236 331 H ASN 50 H ASN 50 10.368 24.737 -1.318 332 HA ASN 50 HA ASN 50 12.626 25.144 -1.102 333 HB2 ASN 50 HB2 ASN 50 11.761 27.707 0.243 334 HB3 ASN 50 HB3 ASN 50 13.228 27.417 -0.692 335 HD21 ASN 50 HD21 ASN 50 11.888 29.519 -1.666 336 HD22 ASN 50 HD22 ASN 50 10.966 29.127 -3.036 337 H LEU 51 H LEU 51 12.770 23.400 0.485 338 HA LEU 51 HA LEU 51 14.157 24.180 2.808 339 HB2 LEU 51 HB2 LEU 51 11.558 24.526 3.320 340 HB3 LEU 51 HB3 LEU 51 11.601 22.793 3.578 341 HG LEU 51 HG LEU 51 13.716 23.374 5.083 342 HD11 LEU 51 HD11 LEU 51 13.773 25.769 4.472 343 HD12 LEU 51 HD12 LEU 51 13.491 25.553 6.197 344 HD13 LEU 51 HD13 LEU 51 12.150 25.970 5.130 345 HD21 LEU 51 HD21 LEU 51 12.235 23.613 7.037 346 HD22 LEU 51 HD22 LEU 51 11.613 22.392 5.926 347 HD23 LEU 51 HD23 LEU 51 10.883 23.997 5.971 348 H SER 52 H SER 52 13.408 21.777 4.334 349 HA SER 52 HA SER 52 14.946 19.835 2.803 350 HB2 SER 52 HB2 SER 52 15.061 18.587 4.832 351 HB3 SER 52 HB3 SER 52 15.245 20.280 5.290 352 HG SER 52 HG SER 52 13.399 20.212 6.293 353 H GLN 53 H GLN 53 14.209 17.706 2.354 354 HA GLN 53 HA GLN 53 11.419 17.603 1.566 355 HB2 GLN 53 HB2 GLN 53 12.063 15.363 0.648 356 HB3 GLN 53 HB3 GLN 53 13.002 16.704 0.004 357 HG2 GLN 53 HG2 GLN 53 13.986 15.153 2.402 358 HG3 GLN 53 HG3 GLN 53 14.255 14.545 0.773 359 HE21 GLN 53 HE21 GLN 53 16.336 15.501 2.649 360 HE22 GLN 53 HE22 GLN 53 17.092 16.818 1.888 361 H SER 54 H SER 54 13.287 16.615 4.256 362 HA SER 54 HA SER 54 11.652 14.377 5.030 363 HB2 SER 54 HB2 SER 54 13.032 14.229 6.922 364 HB3 SER 54 HB3 SER 54 14.107 14.902 5.698 365 HG SER 54 HG SER 54 13.791 16.927 6.559 366 H ASN 55 H ASN 55 11.561 17.816 5.475 367 HA ASN 55 HA ASN 55 9.983 17.969 7.803 368 HB2 ASN 55 HB2 ASN 55 11.204 19.862 6.616 369 HB3 ASN 55 HB3 ASN 55 9.852 19.902 5.487 370 HD21 ASN 55 HD21 ASN 55 7.605 20.112 6.616 371 HD22 ASN 55 HD22 ASN 55 7.534 21.118 7.981 372 H VAL 56 H VAL 56 9.069 17.781 4.372 373 HA VAL 56 HA VAL 56 6.247 17.912 4.948 374 HB VAL 56 HB VAL 56 5.997 17.363 2.532 375 HG11 VAL 56 HG11 VAL 56 6.303 19.699 3.285 376 HG12 VAL 56 HG12 VAL 56 7.056 19.435 1.713 377 HG13 VAL 56 HG13 VAL 56 8.051 19.504 3.167 378 HG21 VAL 56 HG21 VAL 56 9.028 17.260 2.638 379 HG22 VAL 56 HG22 VAL 56 8.060 17.224 1.165 380 HG23 VAL 56 HG23 VAL 56 7.961 15.893 2.319 381 H SER 57 H SER 57 8.629 15.387 4.409 382 HA SER 57 HA SER 57 6.970 13.201 3.921 383 HB2 SER 57 HB2 SER 57 8.795 11.846 4.519 384 HB3 SER 57 HB3 SER 57 9.557 13.347 3.993 385 HG SER 57 HG SER 57 9.084 12.426 6.623 386 H HIS 58 H HIS 58 7.715 14.865 6.928 387 HA HIS 58 HA HIS 58 6.520 12.887 8.629 388 HB2 HIS 58 HB2 HIS 58 7.161 15.798 9.167 389 HB3 HIS 58 HB3 HIS 58 6.748 14.593 10.387 390 HD1 HIS 58 HD1 HIS 58 8.410 12.211 9.344 391 HD2 HIS 58 HD2 HIS 58 9.893 16.094 9.654 392 HE1 HIS 58 HE1 HIS 58 10.927 12.005 9.490 393 HE2 HIS 58 HE2 HIS 58 11.849 14.362 9.688 394 H GLN 59 H GLN 59 5.497 16.163 7.620 395 HA GLN 59 HA GLN 59 3.046 16.282 8.855 396 HB2 GLN 59 HB2 GLN 59 4.059 17.365 6.237 397 HB3 GLN 59 HB3 GLN 59 2.368 17.604 6.670 398 HG2 GLN 59 HG2 GLN 59 3.748 19.512 7.387 399 HG3 GLN 59 HG3 GLN 59 3.039 18.683 8.769 400 HE21 GLN 59 HE21 GLN 59 4.580 16.881 9.720 401 HE22 GLN 59 HE22 GLN 59 6.224 17.294 9.811 402 H LEU 60 H LEU 60 3.826 14.662 5.787 403 HA LEU 60 HA LEU 60 1.126 13.865 5.272 404 HB2 LEU 60 HB2 LEU 60 3.704 12.701 4.197 405 HB3 LEU 60 HB3 LEU 60 2.100 12.468 3.516 406 HG LEU 60 HG LEU 60 3.285 15.229 3.869 407 HD11 LEU 60 HD11 LEU 60 4.892 14.128 2.487 408 HD12 LEU 60 HD12 LEU 60 3.846 15.028 1.389 409 HD13 LEU 60 HD13 LEU 60 3.636 13.287 1.579 410 HD21 LEU 60 HD21 LEU 60 1.075 14.054 2.158 411 HD22 LEU 60 HD22 LEU 60 1.730 15.669 1.912 412 HD23 LEU 60 HD23 LEU 60 0.923 15.272 3.425 413 H LYS 61 H LYS 61 3.627 12.665 7.313 414 HA LYS 61 HA LYS 61 2.839 9.923 7.362 415 HB2 LYS 61 HB2 LYS 61 5.049 10.909 8.187 416 HB3 LYS 61 HB3 LYS 61 4.166 11.421 9.625 417 HG2 LYS 61 HG2 LYS 61 3.482 9.084 10.039 418 HG3 LYS 61 HG3 LYS 61 4.373 8.571 8.606 419 HD2 LYS 61 HD2 LYS 61 6.461 9.483 9.624 420 HD3 LYS 61 HD3 LYS 61 5.548 9.873 11.082 421 HE2 LYS 61 HE2 LYS 61 5.084 7.565 11.517 422 HE3 LYS 61 HE3 LYS 61 5.651 7.081 9.918 423 HZ1 LYS 61 HZ1 LYS 61 7.864 8.033 10.619 424 HZ2 LYS 61 HZ2 LYS 61 7.391 6.591 11.384 425 HZ3 LYS 61 HZ3 LYS 61 7.251 8.074 12.201 426 H LEU 62 H LEU 62 2.030 12.763 9.322 427 HA LEU 62 HA LEU 62 0.442 11.444 11.235 428 HB2 LEU 62 HB2 LEU 62 1.364 13.910 11.100 429 HB3 LEU 62 HB3 LEU 62 -0.178 14.251 10.326 430 HG LEU 62 HG LEU 62 0.242 13.039 13.075 431 HD11 LEU 62 HD11 LEU 62 -0.879 15.691 12.122 432 HD12 LEU 62 HD12 LEU 62 0.622 15.444 13.017 433 HD13 LEU 62 HD13 LEU 62 -0.931 15.129 13.792 434 HD21 LEU 62 HD21 LEU 62 -2.235 13.432 11.389 435 HD22 LEU 62 HD22 LEU 62 -2.325 13.374 13.150 436 HD23 LEU 62 HD23 LEU 62 -1.711 11.987 12.257 437 H LEU 63 H LEU 63 -0.548 13.238 8.306 438 HA LEU 63 HA LEU 63 -3.271 12.780 8.386 439 HB2 LEU 63 HB2 LEU 63 -1.604 12.666 5.865 440 HB3 LEU 63 HB3 LEU 63 -3.300 13.123 6.002 441 HG LEU 63 HG LEU 63 -0.977 14.629 7.244 442 HD11 LEU 63 HD11 LEU 63 -1.017 14.817 4.797 443 HD12 LEU 63 HD12 LEU 63 -1.517 16.340 5.535 444 HD13 LEU 63 HD13 LEU 63 -2.726 15.255 4.846 445 HD21 LEU 63 HD21 LEU 63 -3.972 15.023 7.258 446 HD22 LEU 63 HD22 LEU 63 -2.879 16.391 7.465 447 HD23 LEU 63 HD23 LEU 63 -2.849 15.062 8.618 448 H LYS 64 H LYS 64 -0.703 10.580 7.413 449 HA LYS 64 HA LYS 64 -2.260 8.603 6.174 450 HB2 LYS 64 HB2 LYS 64 0.293 8.764 6.295 451 HB3 LYS 64 HB3 LYS 64 0.157 8.019 7.887 452 HG2 LYS 64 HG2 LYS 64 -1.113 6.133 6.844 453 HG3 LYS 64 HG3 LYS 64 -0.818 6.855 5.262 454 HD2 LYS 64 HD2 LYS 64 1.652 6.749 5.768 455 HD3 LYS 64 HD3 LYS 64 1.256 5.827 7.219 456 HE2 LYS 64 HE2 LYS 64 -0.013 4.223 5.688 457 HE3 LYS 64 HE3 LYS 64 0.758 5.053 4.337 458 HZ1 LYS 64 HZ1 LYS 64 2.834 4.582 5.978 459 HZ2 LYS 64 HZ2 LYS 64 2.393 3.590 4.672 460 HZ3 LYS 64 HZ3 LYS 64 1.879 3.203 6.245 461 H SER 65 H SER 65 -1.626 9.269 9.569 462 HA SER 65 HA SER 65 -2.768 6.841 10.565 463 HB2 SER 65 HB2 SER 65 -1.185 8.181 11.894 464 HB3 SER 65 HB3 SER 65 -2.349 9.504 11.947 465 HG SER 65 HG SER 65 -3.035 6.908 12.798 466 H VAL 66 H VAL 66 -3.961 10.202 10.397 467 HA VAL 66 HA VAL 66 -6.573 9.577 11.336 468 HB VAL 66 HB VAL 66 -5.744 11.922 9.607 469 HG11 VAL 66 HG11 VAL 66 -7.588 13.017 10.988 470 HG12 VAL 66 HG12 VAL 66 -8.033 11.395 11.518 471 HG13 VAL 66 HG13 VAL 66 -8.127 11.822 9.810 472 HG21 VAL 66 HG21 VAL 66 -5.476 13.057 11.871 473 HG22 VAL 66 HG22 VAL 66 -4.230 11.876 11.467 474 HG23 VAL 66 HG23 VAL 66 -5.521 11.448 12.589 475 H HIS 67 H HIS 67 -5.019 8.893 8.442 476 HA HIS 67 HA HIS 67 -5.723 8.048 6.431 477 HB2 HIS 67 HB2 HIS 67 -8.405 7.673 7.777 478 HB3 HIS 67 HB3 HIS 67 -7.752 6.773 6.409 479 HD1 HIS 67 HD1 HIS 67 -5.083 5.863 7.209 480 HD2 HIS 67 HD2 HIS 67 -8.169 6.068 10.006 481 HE1 HIS 67 HE1 HIS 67 -4.437 4.311 9.102 482 HE2 HIS 67 HE2 HIS 67 -6.307 4.424 10.815 483 H LEU 68 H LEU 68 -6.560 10.937 7.496 484 HA LEU 68 HA LEU 68 -8.817 11.838 6.246 485 HB2 LEU 68 HB2 LEU 68 -7.423 13.281 7.625 486 HB3 LEU 68 HB3 LEU 68 -6.119 13.200 6.446 487 HG LEU 68 HG LEU 68 -7.467 14.388 4.802 488 HD11 LEU 68 HD11 LEU 68 -9.715 15.357 5.707 489 HD12 LEU 68 HD12 LEU 68 -9.639 14.032 6.866 490 HD13 LEU 68 HD13 LEU 68 -9.691 13.694 5.136 491 HD21 LEU 68 HD21 LEU 68 -6.203 15.761 6.352 492 HD22 LEU 68 HD22 LEU 68 -7.495 15.664 7.549 493 HD23 LEU 68 HD23 LEU 68 -7.753 16.543 6.041 494 H VAL 69 H VAL 69 -6.039 10.512 4.790 495 HA VAL 69 HA VAL 69 -7.132 10.988 2.107 496 HB VAL 69 HB VAL 69 -4.934 11.695 1.247 497 HG11 VAL 69 HG11 VAL 69 -6.704 13.331 2.130 498 HG12 VAL 69 HG12 VAL 69 -5.061 13.955 1.989 499 HG13 VAL 69 HG13 VAL 69 -5.691 13.482 3.566 500 HG21 VAL 69 HG21 VAL 69 -3.450 10.683 2.852 501 HG22 VAL 69 HG22 VAL 69 -4.187 11.577 4.181 502 HG23 VAL 69 HG23 VAL 69 -3.226 12.428 2.972 503 H LYS 70 H LYS 70 -5.478 9.832 0.506 504 HA LYS 70 HA LYS 70 -4.655 7.224 1.663 505 HB2 LYS 70 HB2 LYS 70 -6.156 7.682 -0.928 506 HB3 LYS 70 HB3 LYS 70 -5.536 6.133 -0.356 507 HG2 LYS 70 HG2 LYS 70 -7.006 6.160 1.549 508 HG3 LYS 70 HG3 LYS 70 -7.482 7.826 1.229 509 HD2 LYS 70 HD2 LYS 70 -9.235 6.311 0.447 510 HD3 LYS 70 HD3 LYS 70 -8.476 7.099 -0.933 511 HE2 LYS 70 HE2 LYS 70 -7.299 5.155 -1.552 512 HE3 LYS 70 HE3 LYS 70 -7.491 4.416 0.038 513 HZ1 LYS 70 HZ1 LYS 70 -9.857 5.054 -1.595 514 HZ2 LYS 70 HZ2 LYS 70 -9.677 3.885 -0.375 515 HZ3 LYS 70 HZ3 LYS 70 -8.972 3.637 -1.900 516 H ALA 71 H ALA 71 -3.337 5.997 -0.053 517 HA ALA 71 HA ALA 71 -1.785 7.653 -1.865 518 HB1 ALA 71 HB1 ALA 71 -0.439 6.333 0.506 519 HB2 ALA 71 HB2 ALA 71 -0.697 8.068 0.329 520 HB3 ALA 71 HB3 ALA 71 0.364 7.216 -0.793 521 H LYS 72 H LYS 72 -0.291 6.375 -3.151 522 HA LYS 72 HA LYS 72 -0.743 3.450 -3.093 523 HB2 LYS 72 HB2 LYS 72 -2.255 4.738 -4.751 524 HB3 LYS 72 HB3 LYS 72 -0.779 5.043 -5.654 525 HG2 LYS 72 HG2 LYS 72 -1.479 3.066 -6.663 526 HG3 LYS 72 HG3 LYS 72 -0.440 2.417 -5.402 527 HD2 LYS 72 HD2 LYS 72 -2.473 2.149 -3.949 528 HD3 LYS 72 HD3 LYS 72 -3.461 2.678 -5.308 529 HE2 LYS 72 HE2 LYS 72 -1.795 0.175 -5.062 530 HE3 LYS 72 HE3 LYS 72 -3.510 0.318 -5.445 531 HZ1 LYS 72 HZ1 LYS 72 -2.161 -0.173 -7.405 532 HZ2 LYS 72 HZ2 LYS 72 -1.289 1.266 -7.173 533 HZ3 LYS 72 HZ3 LYS 72 -2.945 1.327 -7.546 534 H ARG 73 H ARG 73 0.925 2.216 -3.900 535 HA ARG 73 HA ARG 73 3.534 3.550 -4.010 536 HB2 ARG 73 HB2 ARG 73 2.939 0.590 -4.113 537 HB3 ARG 73 HB3 ARG 73 4.467 1.370 -3.708 538 HG2 ARG 73 HG2 ARG 73 3.435 2.362 -1.700 539 HG3 ARG 73 HG3 ARG 73 1.900 1.594 -2.105 540 HD2 ARG 73 HD2 ARG 73 4.505 0.189 -1.450 541 HD3 ARG 73 HD3 ARG 73 3.057 0.235 -0.447 542 HE ARG 73 HE ARG 73 2.396 -0.828 -2.983 543 HH11 ARG 73 HH21 ARG 73 4.151 -1.545 -0.088 544 HH12 ARG 73 HH22 ARG 73 3.969 -3.262 -0.238 545 HH21 ARG 73 HH11 ARG 73 2.154 -3.077 -3.188 546 HH22 ARG 73 HH12 ARG 73 2.838 -4.129 -1.993 547 H GLN 74 H GLN 74 4.707 3.788 -5.816 548 HA GLN 74 HA GLN 74 4.150 2.189 -8.206 549 HB2 GLN 74 HB2 GLN 74 2.639 4.167 -8.358 550 HB3 GLN 74 HB3 GLN 74 4.053 5.217 -8.255 551 HG2 GLN 74 HG2 GLN 74 4.938 4.375 -10.316 552 HG3 GLN 74 HG3 GLN 74 3.768 3.057 -10.354 553 HE21 GLN 74 HE21 GLN 74 2.442 6.053 -9.264 554 HE22 GLN 74 HE22 GLN 74 1.682 6.493 -10.716 555 H GLY 75 H GLY 75 6.161 1.350 -8.334 556 HA2 GLY 75 HA2 GLY 75 8.402 1.284 -8.888 557 HA3 GLY 75 HA3 GLY 75 8.312 3.009 -9.236 558 H GLN 76 H GLN 76 10.497 2.937 -8.188 559 HA GLN 76 HA GLN 76 10.690 2.450 -5.369 560 HB2 GLN 76 HB2 GLN 76 12.531 3.981 -7.226 561 HB3 GLN 76 HB3 GLN 76 12.926 3.463 -5.587 562 HG2 GLN 76 HG2 GLN 76 12.436 1.092 -6.317 563 HG3 GLN 76 HG3 GLN 76 12.307 1.696 -7.968 564 HE21 GLN 76 HE21 GLN 76 14.399 3.453 -8.228 565 HE22 GLN 76 HE22 GLN 76 15.880 2.686 -7.914 566 H SER 77 H SER 77 8.784 4.549 -6.657 567 HA SER 77 HA SER 77 9.440 6.800 -4.827 568 HB2 SER 77 HB2 SER 77 9.619 7.467 -7.181 569 HB3 SER 77 HB3 SER 77 7.992 6.858 -7.485 570 HG SER 77 HG SER 77 8.560 9.242 -6.777 571 H MET 78 H MET 78 7.910 7.412 -3.424 572 HA MET 78 HA MET 78 5.385 5.882 -3.337 573 HB2 MET 78 HB2 MET 78 6.933 6.022 -1.327 574 HB3 MET 78 HB3 MET 78 6.506 7.730 -1.226 575 HG2 MET 78 HG2 MET 78 4.149 7.172 -0.969 576 HG3 MET 78 HG3 MET 78 4.494 5.459 -1.210 577 HE1 MET 78 HE1 MET 78 2.902 5.642 0.742 578 HE2 MET 78 HE2 MET 78 3.461 5.493 2.408 579 HE3 MET 78 HE3 MET 78 3.871 4.249 1.227 580 H ILE 79 H ILE 79 4.004 6.912 -4.723 581 HA ILE 79 HA ILE 79 3.831 9.796 -4.830 582 HB ILE 79 HB ILE 79 1.876 7.840 -6.037 583 HG12 ILE 79 HG12 ILE 79 4.043 6.995 -6.672 584 HG13 ILE 79 HG13 ILE 79 3.394 7.885 -8.048 585 HG21 ILE 79 HG21 ILE 79 1.386 10.282 -6.128 586 HG22 ILE 79 HG22 ILE 79 1.641 9.583 -7.727 587 HG23 ILE 79 HG23 ILE 79 2.919 10.531 -6.965 588 HD11 ILE 79 HD11 ILE 79 5.522 8.779 -6.094 589 HD12 ILE 79 HD12 ILE 79 4.694 9.910 -7.165 590 HD13 ILE 79 HD13 ILE 79 5.659 8.598 -7.842 591 H TYR 80 H TYR 80 2.010 11.039 -4.306 592 HA TYR 80 HA TYR 80 0.026 9.839 -2.460 593 HB2 TYR 80 HB2 TYR 80 1.713 12.313 -2.047 594 HB3 TYR 80 HB3 TYR 80 0.209 12.034 -1.169 595 HD1 TYR 80 HD2 TYR 80 3.650 10.798 -1.739 596 HD2 TYR 80 HD1 TYR 80 0.037 10.340 0.538 597 HE1 TYR 80 HE2 TYR 80 4.853 9.353 -0.120 598 HE2 TYR 80 HE1 TYR 80 1.240 8.896 2.158 599 HH TYR 80 HH TYR 80 4.246 8.820 2.654 600 H SER 81 H SER 81 -1.995 10.836 -2.464 601 HA SER 81 HA SER 81 -2.518 13.147 -4.122 602 HB2 SER 81 HB2 SER 81 -3.836 10.556 -4.935 603 HB3 SER 81 HB3 SER 81 -3.847 12.101 -5.785 604 HG SER 81 HG SER 81 -1.502 11.814 -5.922 605 H LEU 82 H LEU 82 -5.182 13.002 -4.456 606 HA LEU 82 HA LEU 82 -6.171 13.173 -1.725 607 HB2 LEU 82 HB2 LEU 82 -7.308 13.853 -4.436 608 HB3 LEU 82 HB3 LEU 82 -8.305 13.888 -2.983 609 HG LEU 82 HG LEU 82 -6.771 15.496 -1.944 610 HD11 LEU 82 HD11 LEU 82 -4.641 14.984 -2.832 611 HD12 LEU 82 HD12 LEU 82 -5.030 16.540 -3.556 612 HD13 LEU 82 HD13 LEU 82 -5.217 15.060 -4.497 613 HD21 LEU 82 HD21 LEU 82 -8.659 16.255 -3.417 614 HD22 LEU 82 HD22 LEU 82 -7.510 16.370 -4.751 615 HD23 LEU 82 HD23 LEU 82 -7.325 17.405 -3.336 616 H ASP 83 H ASP 83 -8.589 12.363 -1.539 617 HA ASP 83 HA ASP 83 -8.466 9.487 -1.799 618 HB2 ASP 83 HB2 ASP 83 -9.421 10.476 0.213 619 HB3 ASP 83 HB3 ASP 83 -10.636 11.318 -0.747 620 H ASP 84 H ASP 84 -11.598 10.756 -2.186 621 HA ASP 84 HA ASP 84 -11.712 9.819 -5.002 622 HB2 ASP 84 HB2 ASP 84 -13.942 10.130 -2.979 623 HB3 ASP 84 HB3 ASP 84 -14.081 9.445 -4.597 624 H ILE 85 H ILE 85 -13.537 12.079 -2.931 625 HA ILE 85 HA ILE 85 -12.924 14.372 -4.511 626 HB ILE 85 HB ILE 85 -14.408 13.245 -6.120 627 HG12 ILE 85 HG12 ILE 85 -15.914 15.529 -4.829 628 HG13 ILE 85 HG13 ILE 85 -14.415 15.779 -5.724 629 HG21 ILE 85 HG21 ILE 85 -16.514 13.458 -3.949 630 HG22 ILE 85 HG22 ILE 85 -15.685 11.961 -4.379 631 HG23 ILE 85 HG23 ILE 85 -16.720 12.766 -5.558 632 HD11 ILE 85 HD11 ILE 85 -16.345 16.109 -7.205 633 HD12 ILE 85 HD12 ILE 85 -16.944 14.498 -6.806 634 HD13 ILE 85 HD13 ILE 85 -15.436 14.682 -7.704 635 H HIS 86 H HIS 86 -14.776 12.732 -2.078 636 HA HIS 86 HA HIS 86 -16.342 14.719 -0.985 637 HB2 HIS 86 HB2 HIS 86 -14.690 12.847 0.709 638 HB3 HIS 86 HB3 HIS 86 -16.293 13.497 1.050 639 HD1 HIS 86 HD1 HIS 86 -14.955 10.415 0.228 640 HD2 HIS 86 HD2 HIS 86 -18.007 12.658 -1.517 641 HE1 HIS 86 HE1 HIS 86 -16.373 8.788 -1.093 642 HE2 HIS 86 HE2 HIS 86 -18.239 10.137 -2.162 643 H VAL 87 H VAL 87 -12.861 14.292 -0.757 644 HA VAL 87 HA VAL 87 -12.501 16.324 1.253 645 HB VAL 87 HB VAL 87 -10.098 16.036 0.765 646 HG11 VAL 87 HG11 VAL 87 -9.959 13.651 1.377 647 HG12 VAL 87 HG12 VAL 87 -11.640 13.425 0.892 648 HG13 VAL 87 HG13 VAL 87 -11.250 14.451 2.275 649 HG21 VAL 87 HG21 VAL 87 -10.078 15.737 -1.608 650 HG22 VAL 87 HG22 VAL 87 -11.192 14.371 -1.512 651 HG23 VAL 87 HG23 VAL 87 -9.538 14.203 -0.926 652 H ALA 88 H ALA 88 -12.197 16.146 -2.272 653 HA ALA 88 HA ALA 88 -11.039 18.662 -2.715 654 HB1 ALA 88 HB1 ALA 88 -11.834 18.451 -4.990 655 HB2 ALA 88 HB2 ALA 88 -13.036 17.255 -4.504 656 HB3 ALA 88 HB3 ALA 88 -11.318 16.860 -4.431 657 H THR 89 H THR 89 -14.486 17.791 -3.078 658 HA THR 89 HA THR 89 -15.546 20.292 -3.472 659 HB THR 89 HB THR 89 -16.799 18.133 -1.761 660 HG1 THR 89 HG1 THR 89 -16.182 17.250 -3.701 661 HG21 THR 89 HG21 THR 89 -18.903 19.105 -2.731 662 HG22 THR 89 HG22 THR 89 -17.928 20.400 -3.427 663 HG23 THR 89 HG23 THR 89 -18.034 20.219 -1.675 664 H MET 90 H MET 90 -14.621 18.796 -0.405 665 HA MET 90 HA MET 90 -15.748 20.619 1.371 666 HB2 MET 90 HB2 MET 90 -14.543 18.451 1.923 667 HB3 MET 90 HB3 MET 90 -13.034 19.346 1.745 668 HG2 MET 90 HG2 MET 90 -13.969 21.019 3.420 669 HG3 MET 90 HG3 MET 90 -15.266 19.864 3.724 670 HE1 MET 90 HE1 MET 90 -14.511 20.178 6.158 671 HE2 MET 90 HE2 MET 90 -13.004 21.043 5.861 672 HE3 MET 90 HE3 MET 90 -13.003 19.590 6.861 673 H LEU 91 H LEU 91 -12.640 20.759 -0.333 674 HA LEU 91 HA LEU 91 -11.633 23.063 0.912 675 HB2 LEU 91 HB2 LEU 91 -10.315 21.517 -0.531 676 HB3 LEU 91 HB3 LEU 91 -11.173 22.138 -1.936 677 HG LEU 91 HG LEU 91 -10.320 24.432 -1.377 678 HD11 LEU 91 HD11 LEU 91 -8.973 22.875 0.825 679 HD12 LEU 91 HD12 LEU 91 -9.769 24.447 0.898 680 HD13 LEU 91 HD13 LEU 91 -8.186 24.300 0.153 681 HD21 LEU 91 HD21 LEU 91 -9.217 23.070 -3.066 682 HD22 LEU 91 HD22 LEU 91 -8.287 22.231 -1.823 683 HD23 LEU 91 HD23 LEU 91 -7.996 23.941 -2.138 684 H LYS 92 H LYS 92 -13.430 22.729 -2.152 685 HA LYS 92 HA LYS 92 -13.544 25.468 -2.769 686 HB2 LYS 92 HB2 LYS 92 -14.101 23.556 -4.316 687 HB3 LYS 92 HB3 LYS 92 -15.640 23.403 -3.469 688 HG2 LYS 92 HG2 LYS 92 -16.157 25.766 -4.015 689 HG3 LYS 92 HG3 LYS 92 -14.637 25.882 -4.901 690 HD2 LYS 92 HD2 LYS 92 -15.369 24.131 -6.447 691 HD3 LYS 92 HD3 LYS 92 -16.864 23.922 -5.534 692 HE2 LYS 92 HE2 LYS 92 -17.162 25.359 -7.559 693 HE3 LYS 92 HE3 LYS 92 -17.551 26.203 -6.060 694 HZ1 LYS 92 HZ1 LYS 92 -15.320 27.154 -6.074 695 HZ2 LYS 92 HZ2 LYS 92 -16.181 27.576 -7.477 696 HZ3 LYS 92 HZ3 LYS 92 -14.984 26.372 -7.544 697 H GLN 93 H GLN 93 -16.169 23.441 -1.452 698 HA GLN 93 HA GLN 93 -18.099 25.239 -0.953 699 HB2 GLN 93 HB2 GLN 93 -18.241 22.845 -0.357 700 HB3 GLN 93 HB3 GLN 93 -17.211 23.144 1.043 701 HG2 GLN 93 HG2 GLN 93 -18.847 24.579 2.049 702 HG3 GLN 93 HG3 GLN 93 -19.808 24.623 0.573 703 HE21 GLN 93 HE21 GLN 93 -20.157 23.445 3.517 704 HE22 GLN 93 HE22 GLN 93 -20.856 21.930 3.201 705 H ALA 94 H ALA 94 -15.104 24.972 0.883 706 HA ALA 94 HA ALA 94 -15.877 26.598 3.064 707 HB1 ALA 94 HB1 ALA 94 -13.452 26.797 3.490 708 HB2 ALA 94 HB2 ALA 94 -13.126 26.079 1.911 709 HB3 ALA 94 HB3 ALA 94 -13.923 25.128 3.165 710 H ILE 95 H ILE 95 -13.588 27.460 0.461 711 HA ILE 95 HA ILE 95 -13.527 30.190 0.981 712 HB ILE 95 HB ILE 95 -13.311 29.000 -1.786 713 HG12 ILE 95 HG12 ILE 95 -11.970 27.587 -0.368 714 HG13 ILE 95 HG13 ILE 95 -10.877 28.691 -1.199 715 HG21 ILE 95 HG21 ILE 95 -11.573 30.802 -1.993 716 HG22 ILE 95 HG22 ILE 95 -12.053 31.382 -0.398 717 HG23 ILE 95 HG23 ILE 95 -13.205 31.418 -1.732 718 HD11 ILE 95 HD11 ILE 95 -11.787 28.762 1.675 719 HD12 ILE 95 HD12 ILE 95 -11.130 30.200 0.894 720 HD13 ILE 95 HD13 ILE 95 -10.141 28.748 1.045 721 H HIS 96 H HIS 96 -16.078 28.331 -0.298 722 HA HIS 96 HA HIS 96 -17.295 30.396 -1.888 723 HB2 HIS 96 HB2 HIS 96 -17.684 27.952 -2.247 724 HB3 HIS 96 HB3 HIS 96 -18.572 27.910 -0.724 725 HD1 HIS 96 HD1 HIS 96 -19.068 31.078 -2.441 726 HD2 HIS 96 HD2 HIS 96 -20.837 27.306 -2.596 727 HE1 HIS 96 HE1 HIS 96 -21.295 31.381 -3.606 728 HE2 HIS 96 HE2 HIS 96 -22.391 29.093 -3.703 729 H HIS 97 H HIS 97 -17.672 29.190 1.414 730 HA HIS 97 HA HIS 97 -19.929 30.909 1.977 731 HB2 HIS 97 HB2 HIS 97 -19.564 28.670 3.056 732 HB3 HIS 97 HB3 HIS 97 -18.200 29.372 3.925 733 HD1 HIS 97 HD1 HIS 97 -21.953 29.764 3.545 734 HD2 HIS 97 HD2 HIS 97 -18.908 30.914 6.151 735 HE1 HIS 97 HE1 HIS 97 -23.086 30.817 5.548 736 HE2 HIS 97 HE2 HIS 97 -21.245 31.532 7.144 737 H ALA 98 H ALA 98 -16.498 31.176 2.082 738 HA ALA 98 HA ALA 98 -16.281 33.123 4.148 739 HB1 ALA 98 HB1 ALA 98 -14.346 31.822 3.417 740 HB2 ALA 98 HB2 ALA 98 -14.036 33.544 3.190 741 HB3 ALA 98 HB3 ALA 98 -14.453 32.535 1.806 742 H ASN 99 H ASN 99 -15.660 33.638 0.675 743 HA ASN 99 HA ASN 99 -16.120 36.453 0.904 744 HB2 ASN 99 HB2 ASN 99 -16.016 34.875 -1.664 745 HB3 ASN 99 HB3 ASN 99 -15.571 36.561 -1.402 746 HD21 ASN 99 HD21 ASN 99 -13.510 37.000 -0.331 747 HD22 ASN 99 HD22 ASN 99 -12.334 35.789 -0.157 748 H HIS 100 H HIS 100 -17.767 37.692 -0.037 749 HA HIS 100 HA HIS 100 -20.068 36.445 -1.253 750 HB2 HIS 100 HB2 HIS 100 -20.226 37.560 1.552 751 HB3 HIS 100 HB3 HIS 100 -21.640 37.341 0.521 752 HD1 HIS 100 HD1 HIS 100 -21.466 34.703 -0.672 753 HD2 HIS 100 HD2 HIS 100 -19.956 35.344 3.162 754 HE1 HIS 100 HE1 HIS 100 -21.369 32.435 0.447 755 HE2 HIS 100 HE2 HIS 100 -20.455 32.807 2.786 756 HA PRO 101 HA PRO 101 -18.790 40.851 -2.388 757 HB2 PRO 101 HB2 PRO 101 -19.835 39.624 -4.938 758 HB3 PRO 101 HB3 PRO 101 -18.489 40.756 -4.708 759 HG2 PRO 101 HG2 PRO 101 -18.011 38.181 -5.092 760 HG3 PRO 101 HG3 PRO 101 -17.075 39.093 -3.897 761 HD2 PRO 101 HD2 PRO 101 -19.291 37.115 -3.449 762 HD3 PRO 101 HD3 PRO 101 -17.844 37.419 -2.466 763 H LYS 102 H LYS 102 -21.513 39.387 -4.174 764 HA LYS 102 HA LYS 102 -23.663 40.127 -4.509 765 HB2 LYS 102 HB2 LYS 102 -23.847 39.303 -2.179 766 HB3 LYS 102 HB3 LYS 102 -23.421 40.912 -1.594 767 HG2 LYS 102 HG2 LYS 102 -25.400 41.874 -2.580 768 HG3 LYS 102 HG3 LYS 102 -25.772 40.373 -3.428 769 HD2 LYS 102 HD2 LYS 102 -26.129 39.226 -1.289 770 HD3 LYS 102 HD3 LYS 102 -25.699 40.696 -0.413 771 HE2 LYS 102 HE2 LYS 102 -28.020 40.444 -2.349 772 HE3 LYS 102 HE3 LYS 102 -28.162 40.410 -0.591 773 HZ1 LYS 102 HZ1 LYS 102 -27.176 42.654 -2.264 774 HZ2 LYS 102 HZ2 LYS 102 -27.084 42.625 -0.569 775 HZ3 LYS 102 HZ3 LYS 102 -28.598 42.615 -1.339 776 H GLU 103 H GLU 103 -23.342 41.797 -5.957 777 HA GLU 103 HA GLU 103 -22.382 44.359 -5.396 778 HB2 GLU 103 HB2 GLU 103 -22.742 43.440 -7.681 779 HB3 GLU 103 HB3 GLU 103 -24.481 43.614 -7.447 780 HG2 GLU 103 HG2 GLU 103 -24.259 46.018 -7.178 781 HG3 GLU 103 HG3 GLU 103 -22.501 45.897 -7.226 782 H ASN 9 H ASN 9 -0.911 36.160 -1.585 783 HA ASN 9 HA ASN 9 -3.148 35.681 -0.464 784 HB2 ASN 9 HB2 ASN 9 -2.063 34.364 -2.309 785 HB3 ASN 9 HB3 ASN 9 -1.276 33.378 -1.078 786 HD21 ASN 9 HD21 ASN 9 -4.599 34.514 -1.939 787 HD22 ASN 9 HD22 ASN 9 -5.357 33.058 -1.506 788 H THR 10 H THR 10 -0.210 35.101 1.234 789 HA THR 10 HA THR 10 -0.817 33.171 3.095 790 HB THR 10 HB THR 10 0.560 35.792 3.724 791 HG1 THR 10 HG1 THR 10 1.217 34.301 1.841 792 HG21 THR 10 HG21 THR 10 1.835 34.268 5.295 793 HG22 THR 10 HG22 THR 10 0.646 33.016 4.932 794 HG23 THR 10 HG23 THR 10 0.140 34.512 5.719 795 H ASP 11 H ASP 11 -2.404 36.155 2.616 796 HA ASP 11 HA ASP 11 -3.426 36.444 5.304 797 HB2 ASP 11 HB2 ASP 11 -4.445 37.704 2.749 798 HB3 ASP 11 HB3 ASP 11 -4.756 38.245 4.397 799 H THR 12 H THR 12 -4.576 35.142 2.223 800 HA THR 12 HA THR 12 -7.244 34.645 2.983 801 HB THR 12 HB THR 12 -5.600 32.997 1.051 802 HG1 THR 12 HG1 THR 12 -7.146 35.059 0.106 803 HG21 THR 12 HG21 THR 12 -7.801 32.742 -0.067 804 HG22 THR 12 HG22 THR 12 -8.552 33.676 1.227 805 HG23 THR 12 HG23 THR 12 -7.827 32.107 1.579 806 H LEU 13 H LEU 13 -4.275 32.822 3.449 807 HA LEU 13 HA LEU 13 -5.524 30.414 4.352 808 HB2 LEU 13 HB2 LEU 13 -2.732 31.538 4.547 809 HB3 LEU 13 HB3 LEU 13 -3.164 30.026 5.342 810 HG LEU 13 HG LEU 13 -3.800 29.022 3.238 811 HD11 LEU 13 HD11 LEU 13 -3.389 30.412 1.108 812 HD12 LEU 13 HD12 LEU 13 -3.405 31.820 2.169 813 HD13 LEU 13 HD13 LEU 13 -4.834 30.792 2.041 814 HD21 LEU 13 HD21 LEU 13 -1.441 28.874 3.693 815 HD22 LEU 13 HD22 LEU 13 -1.170 30.521 3.122 816 HD23 LEU 13 HD23 LEU 13 -1.611 29.255 1.979 817 H GLU 14 H GLU 14 -4.711 33.451 5.812 818 HA GLU 14 HA GLU 14 -4.783 32.518 8.532 819 HB2 GLU 14 HB2 GLU 14 -3.562 34.579 7.756 820 HB3 GLU 14 HB3 GLU 14 -5.133 35.351 7.531 821 HG2 GLU 14 HG2 GLU 14 -5.665 34.984 9.905 822 HG3 GLU 14 HG3 GLU 14 -4.115 34.176 10.136 823 H ARG 15 H ARG 15 -7.076 34.000 6.294 824 HA ARG 15 HA ARG 15 -9.131 34.460 8.201 825 HB2 ARG 15 HB2 ARG 15 -9.200 34.142 5.194 826 HB3 ARG 15 HB3 ARG 15 -10.608 34.582 6.161 827 HG2 ARG 15 HG2 ARG 15 -9.274 36.515 7.079 828 HG3 ARG 15 HG3 ARG 15 -8.008 36.121 5.915 829 HD2 ARG 15 HD2 ARG 15 -10.840 37.020 5.352 830 HD3 ARG 15 HD3 ARG 15 -9.339 37.809 4.877 831 HE ARG 15 HE ARG 15 -9.220 35.343 3.675 832 HH11 ARG 15 HH21 ARG 15 -11.468 37.973 3.766 833 HH12 ARG 15 HH22 ARG 15 -12.060 37.705 2.161 834 HH21 ARG 15 HH11 ARG 15 -9.990 34.987 1.567 835 HH22 ARG 15 HH12 ARG 15 -11.218 36.018 0.914 836 H VAL 16 H VAL 16 -8.830 31.921 5.698 837 HA VAL 16 HA VAL 16 -11.041 30.415 6.278 838 HB VAL 16 HB VAL 16 -9.737 28.441 5.484 839 HG11 VAL 16 HG11 VAL 16 -9.144 29.453 3.267 840 HG12 VAL 16 HG12 VAL 16 -9.384 31.049 3.978 841 HG13 VAL 16 HG13 VAL 16 -10.742 29.931 3.844 842 HG21 VAL 16 HG21 VAL 16 -7.590 28.884 6.502 843 HG22 VAL 16 HG22 VAL 16 -7.463 30.435 5.672 844 HG23 VAL 16 HG23 VAL 16 -7.367 28.933 4.753 845 H THR 17 H THR 17 -8.004 30.529 8.062 846 HA THR 17 HA THR 17 -8.431 28.291 9.725 847 HB THR 17 HB THR 17 -6.958 30.811 10.507 848 HG1 THR 17 HG1 THR 17 -6.553 29.254 8.415 849 HG21 THR 17 HG21 THR 17 -7.236 29.157 12.287 850 HG22 THR 17 HG22 THR 17 -5.558 29.162 11.746 851 HG23 THR 17 HG23 THR 17 -6.650 27.879 11.223 852 H GLU 18 H GLU 18 -9.396 31.681 10.026 853 HA GLU 18 HA GLU 18 -10.359 31.553 12.676 854 HB2 GLU 18 HB2 GLU 18 -9.925 33.643 11.304 855 HB3 GLU 18 HB3 GLU 18 -11.454 33.324 10.485 856 HG2 GLU 18 HG2 GLU 18 -12.568 33.285 12.744 857 HG3 GLU 18 HG3 GLU 18 -11.040 33.813 13.446 858 H ILE 19 H ILE 19 -11.756 30.632 9.607 859 HA ILE 19 HA ILE 19 -14.461 30.457 10.498 860 HB ILE 19 HB ILE 19 -13.211 28.909 8.227 861 HG12 ILE 19 HG12 ILE 19 -12.504 31.197 7.937 862 HG13 ILE 19 HG13 ILE 19 -13.847 30.910 6.833 863 HG21 ILE 19 HG21 ILE 19 -15.991 29.980 8.780 864 HG22 ILE 19 HG22 ILE 19 -15.502 28.287 8.731 865 HG23 ILE 19 HG23 ILE 19 -15.496 29.248 7.254 866 HD11 ILE 19 HD11 ILE 19 -14.363 32.988 7.831 867 HD12 ILE 19 HD12 ILE 19 -13.843 32.450 9.428 868 HD13 ILE 19 HD13 ILE 19 -15.345 31.838 8.735 869 H PHE 20 H PHE 20 -11.729 28.255 10.532 870 HA PHE 20 HA PHE 20 -13.335 25.930 11.136 871 HB2 PHE 20 HB2 PHE 20 -10.363 26.463 11.053 872 HB3 PHE 20 HB3 PHE 20 -11.023 24.913 11.571 873 HD1 PHE 20 HD2 PHE 20 -12.915 23.931 9.972 874 HD2 PHE 20 HD1 PHE 20 -9.884 26.724 8.764 875 HE1 PHE 20 HE2 PHE 20 -13.226 23.248 7.609 876 HE2 PHE 20 HE1 PHE 20 -10.192 26.038 6.402 877 HZ PHE 20 HZ PHE 20 -11.864 24.300 5.824 878 H LYS 21 H LYS 21 -10.691 27.467 13.009 879 HA LYS 21 HA LYS 21 -11.108 26.158 15.374 880 HB2 LYS 21 HB2 LYS 21 -9.909 27.893 16.474 881 HB3 LYS 21 HB3 LYS 21 -9.265 27.807 14.837 882 HG2 LYS 21 HG2 LYS 21 -10.897 29.664 14.226 883 HG3 LYS 21 HG3 LYS 21 -11.212 29.839 15.953 884 HD2 LYS 21 HD2 LYS 21 -8.632 30.039 16.193 885 HD3 LYS 21 HD3 LYS 21 -8.634 30.319 14.452 886 HE2 LYS 21 HE2 LYS 21 -10.423 32.126 14.948 887 HE3 LYS 21 HE3 LYS 21 -9.904 31.984 16.626 888 HZ1 LYS 21 HZ1 LYS 21 -7.633 32.447 15.912 889 HZ2 LYS 21 HZ2 LYS 21 -8.682 33.720 15.507 890 HZ3 LYS 21 HZ3 LYS 21 -8.163 32.633 14.309 891 H ALA 22 H ALA 22 -13.075 28.651 13.981 892 HA ALA 22 HA ALA 22 -14.437 29.497 16.312 893 HB1 ALA 22 HB1 ALA 22 -16.187 30.274 14.709 894 HB2 ALA 22 HB2 ALA 22 -15.312 29.456 13.415 895 HB3 ALA 22 HB3 ALA 22 -14.561 30.801 14.274 896 H LEU 23 H LEU 23 -14.791 26.710 14.246 897 HA LEU 23 HA LEU 23 -17.408 25.987 15.255 898 HB2 LEU 23 HB2 LEU 23 -15.495 24.194 13.761 899 HB3 LEU 23 HB3 LEU 23 -17.253 24.090 13.835 900 HG LEU 23 HG LEU 23 -15.677 26.338 12.548 901 HD11 LEU 23 HD11 LEU 23 -16.446 25.422 10.440 902 HD12 LEU 23 HD12 LEU 23 -17.408 24.201 11.275 903 HD13 LEU 23 HD13 LEU 23 -15.647 24.134 11.341 904 HD21 LEU 23 HD21 LEU 23 -18.629 25.827 12.943 905 HD22 LEU 23 HD22 LEU 23 -18.039 26.867 11.648 906 HD23 LEU 23 HD23 LEU 23 -17.710 27.282 13.329 907 H GLY 24 H GLY 24 -14.436 25.984 16.642 908 HA2 GLY 24 HA2 GLY 24 -13.992 23.482 17.731 909 HA3 GLY 24 HA3 GLY 24 -13.613 24.994 18.552 910 H ASP 25 H ASP 25 -14.228 23.180 20.276 911 HA ASP 25 HA ASP 25 -15.632 22.612 21.999 912 HB2 ASP 25 HB2 ASP 25 -17.407 24.877 21.092 913 HB3 ASP 25 HB3 ASP 25 -17.213 24.231 22.720 914 H TYR 26 H TYR 26 -16.859 20.856 21.975 915 HA TYR 26 HA TYR 26 -18.391 20.061 19.715 916 HB2 TYR 26 HB2 TYR 26 -19.198 18.249 21.302 917 HB3 TYR 26 HB3 TYR 26 -17.449 18.348 21.092 918 HD1 TYR 26 HD1 TYR 26 -20.272 19.184 23.348 919 HD2 TYR 26 HD2 TYR 26 -16.004 19.009 22.897 920 HE1 TYR 26 HE1 TYR 26 -19.999 19.562 25.784 921 HE2 TYR 26 HE2 TYR 26 -15.730 19.386 25.332 922 HH TYR 26 HH TYR 26 -18.072 18.961 27.533 923 H ASN 27 H ASN 27 -19.063 22.199 22.236 924 HA ASN 27 HA ASN 27 -21.836 21.669 22.625 925 HB2 ASN 27 HB2 ASN 27 -20.523 22.922 24.266 926 HB3 ASN 27 HB3 ASN 27 -20.235 24.197 23.084 927 HD21 ASN 27 HD21 ASN 27 -23.246 22.390 23.915 928 HD22 ASN 27 HD22 ASN 27 -24.154 23.783 24.264 929 H ARG 28 H ARG 28 -20.053 23.946 20.562 930 HA ARG 28 HA ARG 28 -22.405 25.174 19.496 931 HB2 ARG 28 HB2 ARG 28 -19.645 25.132 18.264 932 HB3 ARG 28 HB3 ARG 28 -20.915 26.328 18.010 933 HG2 ARG 28 HG2 ARG 28 -20.777 26.991 20.378 934 HG3 ARG 28 HG3 ARG 28 -19.524 25.781 20.650 935 HD2 ARG 28 HD2 ARG 28 -18.217 26.965 18.771 936 HD3 ARG 28 HD3 ARG 28 -19.374 28.281 18.959 937 HE ARG 28 HE ARG 28 -18.475 27.815 21.506 938 HH11 ARG 28 HH21 ARG 28 -17.030 28.459 18.429 939 HH12 ARG 28 HH22 ARG 28 -15.664 29.294 19.090 940 HH21 ARG 28 HH11 ARG 28 -16.684 28.907 22.381 941 HH22 ARG 28 HH12 ARG 28 -15.467 29.546 21.327 942 H ILE 29 H ILE 29 -20.631 22.301 18.756 943 HA ILE 29 HA ILE 29 -21.439 22.077 16.019 944 HB ILE 29 HB ILE 29 -20.522 19.937 17.948 945 HG12 ILE 29 HG12 ILE 29 -18.980 21.982 17.471 946 HG13 ILE 29 HG13 ILE 29 -18.309 20.365 17.330 947 HG21 ILE 29 HG21 ILE 29 -20.841 20.003 14.947 948 HG22 ILE 29 HG22 ILE 29 -21.570 18.881 16.097 949 HG23 ILE 29 HG23 ILE 29 -19.840 18.808 15.769 950 HD11 ILE 29 HD11 ILE 29 -19.381 21.928 14.963 951 HD12 ILE 29 HD12 ILE 29 -18.461 20.425 14.926 952 HD13 ILE 29 HD13 ILE 29 -17.689 21.918 15.450 953 H ARG 30 H ARG 30 -22.761 20.922 19.098 954 HA ARG 30 HA ARG 30 -24.742 19.259 17.842 955 HB2 ARG 30 HB2 ARG 30 -24.421 20.269 20.676 956 HB3 ARG 30 HB3 ARG 30 -25.682 19.145 20.168 957 HG2 ARG 30 HG2 ARG 30 -23.920 17.591 19.340 958 HG3 ARG 30 HG3 ARG 30 -22.690 18.696 19.954 959 HD2 ARG 30 HD2 ARG 30 -24.867 17.566 21.719 960 HD3 ARG 30 HD3 ARG 30 -23.327 16.744 21.485 961 HE ARG 30 HE ARG 30 -22.932 19.472 22.236 962 HH11 ARG 30 HH21 ARG 30 -23.793 16.328 23.397 963 HH12 ARG 30 HH22 ARG 30 -23.242 16.621 25.012 964 HH21 ARG 30 HH11 ARG 30 -22.207 19.864 24.354 965 HH22 ARG 30 HH12 ARG 30 -22.348 18.624 25.555 966 H ILE 31 H ILE 31 -24.614 22.553 19.078 967 HA ILE 31 HA ILE 31 -27.413 23.046 19.051 968 HB ILE 31 HB ILE 31 -25.060 24.936 18.808 969 HG12 ILE 31 HG12 ILE 31 -26.876 24.356 21.163 970 HG13 ILE 31 HG13 ILE 31 -25.331 23.545 20.915 971 HG21 ILE 31 HG21 ILE 31 -26.972 26.077 17.911 972 HG22 ILE 31 HG22 ILE 31 -26.804 26.629 19.577 973 HG23 ILE 31 HG23 ILE 31 -28.026 25.427 19.166 974 HD11 ILE 31 HD11 ILE 31 -25.727 26.543 21.166 975 HD12 ILE 31 HD12 ILE 31 -24.181 25.730 20.921 976 HD13 ILE 31 HD13 ILE 31 -25.077 25.486 22.420 977 H MET 32 H MET 32 -24.976 22.941 16.587 978 HA MET 32 HA MET 32 -26.449 24.421 14.611 979 HB2 MET 32 HB2 MET 32 -23.913 24.014 14.682 980 HB3 MET 32 HB3 MET 32 -24.270 22.405 14.057 981 HG2 MET 32 HG2 MET 32 -23.868 23.695 12.117 982 HG3 MET 32 HG3 MET 32 -25.626 23.634 12.224 983 HE1 MET 32 HE1 MET 32 -22.661 26.140 11.720 984 HE2 MET 32 HE2 MET 32 -22.492 25.279 13.249 985 HE3 MET 32 HE3 MET 32 -22.770 27.020 13.246 986 H GLU 33 H GLU 33 -26.256 21.089 15.648 987 HA GLU 33 HA GLU 33 -27.393 19.828 13.401 988 HB2 GLU 33 HB2 GLU 33 -27.589 19.101 16.334 989 HB3 GLU 33 HB3 GLU 33 -28.061 18.046 15.003 990 HG2 GLU 33 HG2 GLU 33 -25.791 18.043 14.134 991 HG3 GLU 33 HG3 GLU 33 -25.289 19.228 15.339 992 H LEU 34 H LEU 34 -28.843 21.541 16.120 993 HA LEU 34 HA LEU 34 -31.535 20.790 15.588 994 HB2 LEU 34 HB2 LEU 34 -30.221 23.004 17.140 995 HB3 LEU 34 HB3 LEU 34 -31.963 23.015 16.918 996 HG LEU 34 HG LEU 34 -31.138 21.917 19.045 997 HD11 LEU 34 HD11 LEU 34 -32.844 20.352 19.080 998 HD12 LEU 34 HD12 LEU 34 -32.565 19.821 17.427 999 HD13 LEU 34 HD13 LEU 34 -33.358 21.363 17.737 1000 HD21 LEU 34 HD21 LEU 34 -29.169 20.840 17.830 1001 HD22 LEU 34 HD22 LEU 34 -30.318 19.641 17.241 1002 HD23 LEU 34 HD23 LEU 34 -30.036 19.815 18.973 1003 H LEU 35 H LEU 35 -29.753 23.802 14.864 1004 HA LEU 35 HA LEU 35 -31.796 25.039 13.395 1005 HB2 LEU 35 HB2 LEU 35 -28.855 25.371 12.797 1006 HB3 LEU 35 HB3 LEU 35 -30.144 26.562 12.625 1007 HG LEU 35 HG LEU 35 -29.054 25.430 15.217 1008 HD11 LEU 35 HD11 LEU 35 -28.559 27.882 15.602 1009 HD12 LEU 35 HD12 LEU 35 -29.000 28.165 13.917 1010 HD13 LEU 35 HD13 LEU 35 -27.620 27.139 14.307 1011 HD21 LEU 35 HD21 LEU 35 -30.668 27.191 16.194 1012 HD22 LEU 35 HD22 LEU 35 -31.381 25.692 15.604 1013 HD23 LEU 35 HD23 LEU 35 -31.464 27.155 14.621 1014 H SER 36 H SER 36 -29.948 22.302 12.619 1015 HA SER 36 HA SER 36 -29.988 22.651 9.744 1016 HB2 SER 36 HB2 SER 36 -28.807 20.633 9.641 1017 HB3 SER 36 HB3 SER 36 -28.300 21.290 11.198 1018 HG SER 36 HG SER 36 -30.219 19.288 10.660 1019 H VAL 37 H VAL 37 -31.480 20.260 11.945 1020 HA VAL 37 HA VAL 37 -33.230 19.219 9.973 1021 HB VAL 37 HB VAL 37 -34.365 18.133 11.898 1022 HG11 VAL 37 HG11 VAL 37 -32.253 17.000 12.788 1023 HG12 VAL 37 HG12 VAL 37 -31.341 18.132 11.790 1024 HG13 VAL 37 HG13 VAL 37 -32.451 16.988 11.036 1025 HG21 VAL 37 HG21 VAL 37 -33.275 18.530 14.160 1026 HG22 VAL 37 HG22 VAL 37 -34.265 19.862 13.563 1027 HG23 VAL 37 HG23 VAL 37 -32.507 19.951 13.453 1028 H SER 38 H SER 38 -33.616 21.708 12.456 1029 HA SER 38 HA SER 38 -35.749 22.964 11.032 1030 HB2 SER 38 HB2 SER 38 -37.118 21.181 11.880 1031 HB3 SER 38 HB3 SER 38 -36.440 21.355 13.497 1032 HG SER 38 HG SER 38 -37.345 23.720 12.739 1033 H GLU 39 H GLU 39 -36.256 24.993 11.857 1034 HA GLU 39 HA GLU 39 -34.260 26.207 13.492 1035 HB2 GLU 39 HB2 GLU 39 -35.640 28.236 13.276 1036 HB3 GLU 39 HB3 GLU 39 -35.427 27.443 11.715 1037 HG2 GLU 39 HG2 GLU 39 -37.635 26.294 12.078 1038 HG3 GLU 39 HG3 GLU 39 -37.853 27.276 13.524 1039 H ALA 40 H ALA 40 -34.776 27.501 15.444 1040 HA ALA 40 HA ALA 40 -37.043 26.666 17.056 1041 HB1 ALA 40 HB1 ALA 40 -35.783 25.674 18.839 1042 HB2 ALA 40 HB2 ALA 40 -34.252 26.084 18.065 1043 HB3 ALA 40 HB3 ALA 40 -35.300 24.857 17.353 1044 H SER 41 H SER 41 -37.302 27.951 18.951 1045 HA SER 41 HA SER 41 -36.006 30.583 18.759 1046 HB2 SER 41 HB2 SER 41 -37.781 31.312 20.281 1047 HB3 SER 41 HB3 SER 41 -38.468 30.478 18.887 1048 HG SER 41 HG SER 41 -38.529 28.579 20.199 1049 H VAL 42 H VAL 42 -35.556 31.660 20.921 1050 HA VAL 42 HA VAL 42 -33.511 30.318 22.264 1051 HB VAL 42 HB VAL 42 -35.210 32.651 23.175 1052 HG11 VAL 42 HG11 VAL 42 -32.659 31.445 24.270 1053 HG12 VAL 42 HG12 VAL 42 -34.164 31.760 25.133 1054 HG13 VAL 42 HG13 VAL 42 -33.148 33.105 24.614 1055 HG21 VAL 42 HG21 VAL 42 -33.245 33.959 22.402 1056 HG22 VAL 42 HG22 VAL 42 -33.979 33.043 21.086 1057 HG23 VAL 42 HG23 VAL 42 -32.491 32.467 21.839 1058 H GLY 43 H GLY 43 -36.805 31.020 23.477 1059 HA2 GLY 43 HA2 GLY 43 -36.564 29.598 25.870 1060 HA3 GLY 43 HA3 GLY 43 -38.087 29.952 25.062 1061 H HIS 44 H HIS 44 -37.544 28.490 22.643 1062 HA HIS 44 HA HIS 44 -38.463 25.949 23.506 1063 HB2 HIS 44 HB2 HIS 44 -37.632 26.972 20.784 1064 HB3 HIS 44 HB3 HIS 44 -38.393 25.406 21.065 1065 HD1 HIS 44 HD1 HIS 44 -39.394 28.451 23.027 1066 HD2 HIS 44 HD2 HIS 44 -40.859 26.162 19.865 1067 HE1 HIS 44 HE1 HIS 44 -41.770 29.222 22.627 1068 HE2 HIS 44 HE2 HIS 44 -42.680 27.838 20.702 1069 H ILE 45 H ILE 45 -35.337 27.061 22.221 1070 HA ILE 45 HA ILE 45 -34.319 24.375 21.994 1071 HB ILE 45 HB ILE 45 -33.513 26.231 20.554 1072 HG12 ILE 45 HG12 ILE 45 -31.304 25.037 22.247 1073 HG13 ILE 45 HG13 ILE 45 -32.198 24.122 21.034 1074 HG21 ILE 45 HG21 ILE 45 -32.069 27.148 23.060 1075 HG22 ILE 45 HG22 ILE 45 -33.443 27.975 22.327 1076 HG23 ILE 45 HG23 ILE 45 -31.923 27.843 21.449 1077 HD11 ILE 45 HD11 ILE 45 -31.539 25.858 19.337 1078 HD12 ILE 45 HD12 ILE 45 -30.172 24.964 20.002 1079 HD13 ILE 45 HD13 ILE 45 -30.514 26.598 20.568 1080 H SER 46 H SER 46 -34.663 26.580 24.589 1081 HA SER 46 HA SER 46 -32.437 25.915 26.170 1082 HB2 SER 46 HB2 SER 46 -33.783 26.698 28.061 1083 HB3 SER 46 HB3 SER 46 -33.982 27.777 26.682 1084 HG SER 46 HG SER 46 -35.731 25.720 27.544 1085 H HIS 47 H HIS 47 -35.386 24.195 25.467 1086 HA HIS 47 HA HIS 47 -35.256 22.345 27.640 1087 HB2 HIS 47 HB2 HIS 47 -37.321 22.802 26.319 1088 HB3 HIS 47 HB3 HIS 47 -36.575 22.002 24.936 1089 HD1 HIS 47 HD1 HIS 47 -37.672 19.767 24.758 1090 HD2 HIS 47 HD2 HIS 47 -36.745 20.709 28.712 1091 HE1 HIS 47 HE1 HIS 47 -38.264 17.729 26.136 1092 HE2 HIS 47 HE2 HIS 47 -37.710 18.287 28.550 1093 H GLN 48 H GLN 48 -33.427 22.744 24.834 1094 HA GLN 48 HA GLN 48 -32.671 19.922 24.566 1095 HB2 GLN 48 HB2 GLN 48 -31.631 22.351 23.091 1096 HB3 GLN 48 HB3 GLN 48 -31.324 20.665 22.683 1097 HG2 GLN 48 HG2 GLN 48 -34.072 21.944 22.774 1098 HG3 GLN 48 HG3 GLN 48 -33.142 21.674 21.301 1099 HE21 GLN 48 HE21 GLN 48 -32.294 19.203 21.216 1100 HE22 GLN 48 HE22 GLN 48 -33.486 18.048 21.569 1101 H LEU 49 H LEU 49 -31.021 23.037 25.194 1102 HA LEU 49 HA LEU 49 -28.639 21.706 26.144 1103 HB2 LEU 49 HB2 LEU 49 -29.546 24.584 26.068 1104 HB3 LEU 49 HB3 LEU 49 -28.053 24.112 26.872 1105 HG LEU 49 HG LEU 49 -27.731 24.869 24.514 1106 HD11 LEU 49 HD11 LEU 49 -27.008 21.955 24.512 1107 HD12 LEU 49 HD12 LEU 49 -26.330 22.992 25.765 1108 HD13 LEU 49 HD13 LEU 49 -26.047 23.362 24.069 1109 HD21 LEU 49 HD21 LEU 49 -29.071 22.296 23.689 1110 HD22 LEU 49 HD22 LEU 49 -28.583 23.653 22.674 1111 HD23 LEU 49 HD23 LEU 49 -29.949 23.826 23.775 1112 H ASN 50 H ASN 50 -31.458 23.280 27.562 1113 HA ASN 50 HA ASN 50 -32.238 23.377 29.722 1114 HB2 ASN 50 HB2 ASN 50 -32.080 20.878 29.413 1115 HB3 ASN 50 HB3 ASN 50 -30.496 20.949 30.186 1116 HD21 ASN 50 HD21 ASN 50 -33.118 19.717 31.157 1117 HD22 ASN 50 HD22 ASN 50 -33.381 20.426 32.677 1118 H LEU 51 H LEU 51 -30.693 25.330 29.648 1119 HA LEU 51 HA LEU 51 -29.353 25.501 32.132 1120 HB2 LEU 51 HB2 LEU 51 -27.596 24.204 31.141 1121 HB3 LEU 51 HB3 LEU 51 -27.628 25.173 29.671 1122 HG LEU 51 HG LEU 51 -26.722 27.085 30.816 1123 HD11 LEU 51 HD11 LEU 51 -26.127 26.797 33.312 1124 HD12 LEU 51 HD12 LEU 51 -27.269 25.453 33.299 1125 HD13 LEU 51 HD13 LEU 51 -27.819 27.085 32.919 1126 HD21 LEU 51 HD21 LEU 51 -24.577 26.154 31.658 1127 HD22 LEU 51 HD22 LEU 51 -25.083 25.390 30.152 1128 HD23 LEU 51 HD23 LEU 51 -25.306 24.548 31.685 1129 H SER 52 H SER 52 -30.165 27.408 32.556 1130 HA SER 52 HA SER 52 -31.207 29.466 31.886 1131 HB2 SER 52 HB2 SER 52 -29.603 29.745 33.674 1132 HB3 SER 52 HB3 SER 52 -28.279 29.853 32.517 1133 HG SER 52 HG SER 52 -30.330 31.582 31.997 1134 H GLN 53 H GLN 53 -31.857 30.213 30.009 1135 HA GLN 53 HA GLN 53 -30.818 30.057 27.544 1136 HB2 GLN 53 HB2 GLN 53 -32.219 32.500 28.658 1137 HB3 GLN 53 HB3 GLN 53 -32.061 32.101 26.947 1138 HG2 GLN 53 HG2 GLN 53 -33.394 30.130 27.189 1139 HG3 GLN 53 HG3 GLN 53 -33.324 30.216 28.948 1140 HE21 GLN 53 HE21 GLN 53 -35.860 30.098 28.194 1141 HE22 GLN 53 HE22 GLN 53 -36.615 31.617 28.138 1142 H SER 54 H SER 54 -29.889 32.498 29.933 1143 HA SER 54 HA SER 54 -28.449 34.289 28.472 1144 HB2 SER 54 HB2 SER 54 -28.734 34.283 30.970 1145 HB3 SER 54 HB3 SER 54 -27.443 33.086 31.059 1146 HG SER 54 HG SER 54 -27.254 35.665 29.890 1147 H ASN 55 H ASN 55 -27.553 30.984 29.214 1148 HA ASN 55 HA ASN 55 -24.827 31.163 28.425 1149 HB2 ASN 55 HB2 ASN 55 -25.765 29.322 29.815 1150 HB3 ASN 55 HB3 ASN 55 -26.633 28.733 28.397 1151 HD21 ASN 55 HD21 ASN 55 -24.269 27.569 30.022 1152 HD22 ASN 55 HD22 ASN 55 -23.115 27.198 28.834 1153 H VAL 56 H VAL 56 -27.791 30.236 26.703 1154 HA VAL 56 HA VAL 56 -26.429 29.583 24.270 1155 HB VAL 56 HB VAL 56 -29.350 30.180 24.797 1156 HG11 VAL 56 HG11 VAL 56 -27.877 29.041 22.409 1157 HG12 VAL 56 HG12 VAL 56 -28.928 30.456 22.448 1158 HG13 VAL 56 HG13 VAL 56 -29.614 28.844 22.647 1159 HG21 VAL 56 HG21 VAL 56 -27.790 27.586 24.594 1160 HG22 VAL 56 HG22 VAL 56 -29.544 27.700 24.731 1161 HG23 VAL 56 HG23 VAL 56 -28.519 28.247 26.058 1162 H SER 57 H SER 57 -28.160 32.433 25.471 1163 HA SER 57 HA SER 57 -28.327 33.957 23.166 1164 HB2 SER 57 HB2 SER 57 -27.560 34.996 25.905 1165 HB3 SER 57 HB3 SER 57 -28.323 35.908 24.604 1166 HG SER 57 HG SER 57 -29.577 33.562 25.383 1167 H HIS 58 H HIS 58 -25.542 33.297 25.204 1168 HA HIS 58 HA HIS 58 -23.816 35.206 23.932 1169 HB2 HIS 58 HB2 HIS 58 -23.543 34.268 26.275 1170 HB3 HIS 58 HB3 HIS 58 -22.986 32.775 25.523 1171 HD1 HIS 58 HD1 HIS 58 -22.171 36.253 24.267 1172 HD2 HIS 58 HD2 HIS 58 -20.255 33.046 26.117 1173 HE1 HIS 58 HE1 HIS 58 -19.701 36.811 24.290 1174 HE2 HIS 58 HE2 HIS 58 -18.518 34.866 25.413 1175 H GLN 59 H GLN 59 -23.862 31.629 23.903 1176 HA GLN 59 HA GLN 59 -21.917 31.083 22.095 1177 HB2 GLN 59 HB2 GLN 59 -24.647 29.789 22.266 1178 HB3 GLN 59 HB3 GLN 59 -23.271 29.106 21.398 1179 HG2 GLN 59 HG2 GLN 59 -23.198 29.844 24.336 1180 HG3 GLN 59 HG3 GLN 59 -23.565 28.223 23.749 1181 HE21 GLN 59 HE21 GLN 59 -21.816 27.081 22.539 1182 HE22 GLN 59 HE22 GLN 59 -20.197 27.532 22.778 1183 H LEU 60 H LEU 60 -25.323 31.636 21.136 1184 HA LEU 60 HA LEU 60 -24.854 31.586 18.376 1185 HB2 LEU 60 HB2 LEU 60 -27.023 32.775 20.096 1186 HB3 LEU 60 HB3 LEU 60 -27.043 33.017 18.351 1187 HG LEU 60 HG LEU 60 -27.106 30.637 17.951 1188 HD11 LEU 60 HD11 LEU 60 -26.688 30.442 20.941 1189 HD12 LEU 60 HD12 LEU 60 -25.673 29.776 19.663 1190 HD13 LEU 60 HD13 LEU 60 -27.267 29.088 19.971 1191 HD21 LEU 60 HD21 LEU 60 -29.018 31.229 20.225 1192 HD22 LEU 60 HD22 LEU 60 -29.268 30.113 18.883 1193 HD23 LEU 60 HD23 LEU 60 -29.231 31.852 18.589 1194 H LYS 61 H LYS 61 -24.218 34.083 20.702 1195 HA LYS 61 HA LYS 61 -24.272 36.286 18.902 1196 HB2 LYS 61 HB2 LYS 61 -24.279 36.337 21.474 1197 HB3 LYS 61 HB3 LYS 61 -22.533 36.127 21.364 1198 HG2 LYS 61 HG2 LYS 61 -22.539 38.129 19.769 1199 HG3 LYS 61 HG3 LYS 61 -24.197 38.412 20.296 1200 HD2 LYS 61 HD2 LYS 61 -21.813 38.214 22.162 1201 HD3 LYS 61 HD3 LYS 61 -22.522 39.729 21.607 1202 HE2 LYS 61 HE2 LYS 61 -24.749 38.824 22.539 1203 HE3 LYS 61 HE3 LYS 61 -23.768 37.617 23.371 1204 HZ1 LYS 61 HZ1 LYS 61 -23.891 39.316 24.901 1205 HZ2 LYS 61 HZ2 LYS 61 -23.808 40.539 23.726 1206 HZ3 LYS 61 HZ3 LYS 61 -22.417 39.655 24.132 1207 H LEU 62 H LEU 62 -21.707 34.075 19.957 1208 HA LEU 62 HA LEU 62 -19.574 35.408 18.656 1209 HB2 LEU 62 HB2 LEU 62 -19.988 32.570 19.593 1210 HB3 LEU 62 HB3 LEU 62 -18.518 33.042 18.746 1211 HG LEU 62 HG LEU 62 -18.179 34.852 20.448 1212 HD11 LEU 62 HD11 LEU 62 -20.617 33.521 21.641 1213 HD12 LEU 62 HD12 LEU 62 -20.362 35.235 21.309 1214 HD13 LEU 62 HD13 LEU 62 -19.489 34.454 22.625 1215 HD21 LEU 62 HD21 LEU 62 -17.058 32.650 20.621 1216 HD22 LEU 62 HD22 LEU 62 -18.425 32.037 21.553 1217 HD23 LEU 62 HD23 LEU 62 -17.413 33.322 22.213 1218 H LEU 63 H LEU 63 -21.635 32.685 17.637 1219 HA LEU 63 HA LEU 63 -20.466 32.213 15.142 1220 HB2 LEU 63 HB2 LEU 63 -23.431 32.020 15.669 1221 HB3 LEU 63 HB3 LEU 63 -22.456 31.048 14.570 1222 HG LEU 63 HG LEU 63 -22.346 31.028 17.598 1223 HD11 LEU 63 HD11 LEU 63 -24.214 29.787 16.463 1224 HD12 LEU 63 HD12 LEU 63 -23.122 28.741 17.371 1225 HD13 LEU 63 HD13 LEU 63 -22.999 28.831 15.614 1226 HD21 LEU 63 HD21 LEU 63 -20.092 30.741 16.925 1227 HD22 LEU 63 HD22 LEU 63 -20.546 29.795 15.507 1228 HD23 LEU 63 HD23 LEU 63 -20.695 29.097 17.119 1229 H LYS 64 H LYS 64 -22.827 34.619 16.151 1230 HA LYS 64 HA LYS 64 -23.730 35.522 13.681 1231 HB2 LYS 64 HB2 LYS 64 -24.523 36.231 15.987 1232 HB3 LYS 64 HB3 LYS 64 -23.135 37.317 16.039 1233 HG2 LYS 64 HG2 LYS 64 -23.910 38.489 14.058 1234 HG3 LYS 64 HG3 LYS 64 -25.218 37.328 13.836 1235 HD2 LYS 64 HD2 LYS 64 -26.292 38.040 15.878 1236 HD3 LYS 64 HD3 LYS 64 -24.910 39.045 16.314 1237 HE2 LYS 64 HE2 LYS 64 -26.521 39.470 13.786 1238 HE3 LYS 64 HE3 LYS 64 -26.880 40.296 15.301 1239 HZ1 LYS 64 HZ1 LYS 64 -25.475 41.771 14.280 1240 HZ2 LYS 64 HZ2 LYS 64 -24.532 40.559 13.554 1241 HZ3 LYS 64 HZ3 LYS 64 -24.373 40.880 15.214 1242 H SER 65 H SER 65 -20.795 36.403 15.464 1243 HA SER 65 HA SER 65 -19.946 38.478 13.748 1244 HB2 SER 65 HB2 SER 65 -17.886 38.380 14.892 1245 HB3 SER 65 HB3 SER 65 -19.066 37.838 16.085 1246 HG SER 65 HG SER 65 -17.041 36.462 14.836 1247 H VAL 66 H VAL 66 -18.996 35.043 13.866 1248 HA VAL 66 HA VAL 66 -17.343 35.156 11.559 1249 HB VAL 66 HB VAL 66 -18.766 32.689 12.564 1250 HG11 VAL 66 HG11 VAL 66 -16.074 33.213 11.266 1251 HG12 VAL 66 HG12 VAL 66 -17.446 32.366 10.550 1252 HG13 VAL 66 HG13 VAL 66 -16.578 31.652 11.907 1253 HG21 VAL 66 HG21 VAL 66 -17.891 33.771 14.539 1254 HG22 VAL 66 HG22 VAL 66 -16.369 34.131 13.726 1255 HG23 VAL 66 HG23 VAL 66 -16.787 32.463 14.116 1256 H HIS 67 H HIS 67 -20.636 35.469 11.859 1257 HA HIS 67 HA HIS 67 -22.390 35.413 10.383 1258 HB2 HIS 67 HB2 HIS 67 -20.209 35.354 8.284 1259 HB3 HIS 67 HB3 HIS 67 -21.881 35.867 8.056 1260 HD1 HIS 67 HD1 HIS 67 -18.804 37.413 8.259 1261 HD2 HIS 67 HD2 HIS 67 -22.324 37.991 10.416 1262 HE1 HIS 67 HE1 HIS 67 -18.676 39.750 9.223 1263 HE2 HIS 67 HE2 HIS 67 -20.814 40.119 10.544 1264 H LEU 68 H LEU 68 -20.713 32.842 11.112 1265 HA LEU 68 HA LEU 68 -20.994 30.994 9.038 1266 HB2 LEU 68 HB2 LEU 68 -19.971 30.919 11.544 1267 HB3 LEU 68 HB3 LEU 68 -21.465 30.058 11.846 1268 HG LEU 68 HG LEU 68 -19.755 28.454 11.326 1269 HD11 LEU 68 HD11 LEU 68 -22.090 28.189 10.356 1270 HD12 LEU 68 HD12 LEU 68 -20.821 27.232 9.595 1271 HD13 LEU 68 HD13 LEU 68 -21.405 28.697 8.812 1272 HD21 LEU 68 HD21 LEU 68 -18.454 30.277 9.888 1273 HD22 LEU 68 HD22 LEU 68 -19.295 29.496 8.551 1274 HD23 LEU 68 HD23 LEU 68 -18.243 28.556 9.599 1275 H VAL 69 H VAL 69 -23.343 32.632 10.827 1276 HA VAL 69 HA VAL 69 -25.480 31.191 9.486 1277 HB VAL 69 HB VAL 69 -26.762 30.836 11.583 1278 HG11 VAL 69 HG11 VAL 69 -24.077 29.459 11.778 1279 HG12 VAL 69 HG12 VAL 69 -25.238 29.077 10.506 1280 HG13 VAL 69 HG13 VAL 69 -25.662 28.813 12.198 1281 HG21 VAL 69 HG21 VAL 69 -25.657 32.513 12.980 1282 HG22 VAL 69 HG22 VAL 69 -24.134 31.629 12.875 1283 HG23 VAL 69 HG23 VAL 69 -25.506 30.926 13.733 1284 H LYS 70 H LYS 70 -27.663 32.267 10.557 1285 HA LYS 70 HA LYS 70 -27.306 35.106 11.096 1286 HB2 LYS 70 HB2 LYS 70 -28.638 35.812 9.148 1287 HB3 LYS 70 HB3 LYS 70 -27.133 35.035 8.653 1288 HG2 LYS 70 HG2 LYS 70 -28.428 32.871 8.450 1289 HG3 LYS 70 HG3 LYS 70 -29.901 33.798 8.714 1290 HD2 LYS 70 HD2 LYS 70 -27.952 34.551 6.528 1291 HD3 LYS 70 HD3 LYS 70 -29.183 33.321 6.268 1292 HE2 LYS 70 HE2 LYS 70 -29.683 36.196 7.094 1293 HE3 LYS 70 HE3 LYS 70 -30.016 35.489 5.515 1294 HZ1 LYS 70 HZ1 LYS 70 -32.047 35.369 6.562 1295 HZ2 LYS 70 HZ2 LYS 70 -31.377 35.008 8.080 1296 HZ3 LYS 70 HZ3 LYS 70 -31.413 33.823 6.864 1297 H ALA 71 H ALA 71 -29.558 36.182 11.097 1298 HA ALA 71 HA ALA 71 -31.737 34.382 11.880 1299 HB1 ALA 71 HB1 ALA 71 -30.445 34.824 13.961 1300 HB2 ALA 71 HB2 ALA 71 -32.073 35.498 14.018 1301 HB3 ALA 71 HB3 ALA 71 -30.692 36.553 13.717 1302 H LYS 72 H LYS 72 -33.752 35.710 12.351 1303 HA LYS 72 HA LYS 72 -33.831 38.323 11.010 1304 HB2 LYS 72 HB2 LYS 72 -35.790 37.497 9.628 1305 HB3 LYS 72 HB3 LYS 72 -34.210 36.885 9.140 1306 HG2 LYS 72 HG2 LYS 72 -34.600 34.766 10.150 1307 HG3 LYS 72 HG3 LYS 72 -35.984 35.369 11.062 1308 HD2 LYS 72 HD2 LYS 72 -36.670 34.002 9.096 1309 HD3 LYS 72 HD3 LYS 72 -37.263 35.660 9.000 1310 HE2 LYS 72 HE2 LYS 72 -36.186 34.667 6.875 1311 HE3 LYS 72 HE3 LYS 72 -35.639 36.265 7.384 1312 HZ1 LYS 72 HZ1 LYS 72 -33.655 35.443 8.155 1313 HZ2 LYS 72 HZ2 LYS 72 -33.918 34.438 6.811 1314 HZ3 LYS 72 HZ3 LYS 72 -34.253 33.870 8.376 1315 H ARG 73 H ARG 73 -35.890 39.403 11.271 1316 HA ARG 73 HA ARG 73 -37.143 38.784 13.859 1317 HB2 ARG 73 HB2 ARG 73 -37.283 41.180 12.010 1318 HB3 ARG 73 HB3 ARG 73 -38.268 41.015 13.456 1319 HG2 ARG 73 HG2 ARG 73 -36.443 42.263 14.229 1320 HG3 ARG 73 HG3 ARG 73 -36.004 40.625 14.693 1321 HD2 ARG 73 HD2 ARG 73 -34.516 40.415 12.803 1322 HD3 ARG 73 HD3 ARG 73 -35.090 41.933 12.115 1323 HE ARG 73 HE ARG 73 -33.955 42.178 14.771 1324 HH11 ARG 73 HH21 ARG 73 -33.426 42.178 11.353 1325 HH12 ARG 73 HH22 ARG 73 -31.967 43.108 11.438 1326 HH21 ARG 73 HH11 ARG 73 -32.040 43.392 14.893 1327 HH22 ARG 73 HH12 ARG 73 -31.183 43.798 13.443 1328 H GLN 74 H GLN 74 -39.240 38.160 14.068 1329 HA GLN 74 HA GLN 74 -41.062 38.238 11.788 1330 HB2 GLN 74 HB2 GLN 74 -39.776 36.129 11.482 1331 HB3 GLN 74 HB3 GLN 74 -40.300 35.607 13.083 1332 HG2 GLN 74 HG2 GLN 74 -42.585 35.516 12.416 1333 HG3 GLN 74 HG3 GLN 74 -42.268 36.416 10.935 1334 HE21 GLN 74 HE21 GLN 74 -40.550 33.573 12.342 1335 HE22 GLN 74 HE22 GLN 74 -40.756 32.594 10.971 1336 H GLY 75 H GLY 75 -42.301 39.595 13.120 1337 HA2 GLY 75 HA2 GLY 75 -44.095 39.985 14.514 1338 HA3 GLY 75 HA3 GLY 75 -44.200 38.244 14.761 1339 H GLN 76 H GLN 76 -41.813 40.791 15.552 1340 HA GLN 76 HA GLN 76 -40.664 41.234 17.490 1341 HB2 GLN 76 HB2 GLN 76 -43.243 40.243 18.731 1342 HB3 GLN 76 HB3 GLN 76 -41.998 41.178 19.559 1343 HG2 GLN 76 HG2 GLN 76 -42.370 43.084 18.158 1344 HG3 GLN 76 HG3 GLN 76 -43.368 42.151 17.044 1345 HE21 GLN 76 HE21 GLN 76 -44.096 41.138 20.174 1346 HE22 GLN 76 HE22 GLN 76 -45.444 42.128 20.456 1347 H SER 77 H SER 77 -41.140 38.258 16.430 1348 HA SER 77 HA SER 77 -39.898 36.886 18.758 1349 HB2 SER 77 HB2 SER 77 -42.155 36.069 17.889 1350 HB3 SER 77 HB3 SER 77 -41.297 35.567 16.433 1351 HG SER 77 HG SER 77 -40.602 33.912 17.494 1352 H MET 78 H MET 78 -37.762 36.860 18.484 1353 HA MET 78 HA MET 78 -36.566 36.710 15.826 1354 HB2 MET 78 HB2 MET 78 -34.415 36.750 17.193 1355 HB3 MET 78 HB3 MET 78 -35.437 38.181 17.300 1356 HG2 MET 78 HG2 MET 78 -35.787 35.963 19.308 1357 HG3 MET 78 HG3 MET 78 -34.476 37.122 19.500 1358 HE1 MET 78 HE1 MET 78 -35.732 37.262 21.779 1359 HE2 MET 78 HE2 MET 78 -36.582 38.781 22.063 1360 HE3 MET 78 HE3 MET 78 -34.962 38.795 21.366 1361 H ILE 79 H ILE 79 -35.582 34.966 14.959 1362 HA ILE 79 HA ILE 79 -35.233 32.515 16.570 1363 HB ILE 79 HB ILE 79 -36.163 31.201 14.648 1364 HG12 ILE 79 HG12 ILE 79 -37.245 33.899 13.781 1365 HG13 ILE 79 HG13 ILE 79 -35.925 33.051 12.973 1366 HG21 ILE 79 HG21 ILE 79 -38.496 31.568 15.275 1367 HG22 ILE 79 HG22 ILE 79 -38.100 33.164 15.912 1368 HG23 ILE 79 HG23 ILE 79 -37.478 31.719 16.708 1369 HD11 ILE 79 HD11 ILE 79 -38.790 32.114 13.279 1370 HD12 ILE 79 HD12 ILE 79 -37.487 31.083 12.687 1371 HD13 ILE 79 HD13 ILE 79 -37.955 32.522 11.780 1372 H TYR 80 H TYR 80 -33.810 30.958 15.525 1373 HA TYR 80 HA TYR 80 -31.814 32.251 13.736 1374 HB2 TYR 80 HB2 TYR 80 -31.421 30.199 15.926 1375 HB3 TYR 80 HB3 TYR 80 -30.157 30.795 14.850 1376 HD1 TYR 80 HD1 TYR 80 -32.603 31.807 17.466 1377 HD2 TYR 80 HD2 TYR 80 -29.113 32.912 15.218 1378 HE1 TYR 80 HE1 TYR 80 -32.263 33.762 18.952 1379 HE2 TYR 80 HE2 TYR 80 -28.771 34.866 16.706 1380 HH TYR 80 HH TYR 80 -31.116 35.670 19.247 1381 H SER 81 H SER 81 -30.906 31.041 12.110 1382 HA SER 81 HA SER 81 -31.666 28.258 11.704 1383 HB2 SER 81 HB2 SER 81 -32.550 30.481 9.852 1384 HB3 SER 81 HB3 SER 81 -32.496 28.785 9.375 1385 HG SER 81 HG SER 81 -34.485 28.952 10.154 1386 H LEU 82 H LEU 82 -30.775 27.702 9.304 1387 HA LEU 82 HA LEU 82 -27.941 28.308 9.454 1388 HB2 LEU 82 HB2 LEU 82 -27.956 26.780 7.329 1389 HB3 LEU 82 HB3 LEU 82 -28.277 26.070 8.907 1390 HG LEU 82 HG LEU 82 -30.665 26.104 8.510 1391 HD11 LEU 82 HD11 LEU 82 -31.446 26.823 6.172 1392 HD12 LEU 82 HD12 LEU 82 -29.884 27.629 6.017 1393 HD13 LEU 82 HD13 LEU 82 -31.012 28.120 7.284 1394 HD21 LEU 82 HD21 LEU 82 -29.067 25.053 6.160 1395 HD22 LEU 82 HD22 LEU 82 -30.751 24.633 6.474 1396 HD23 LEU 82 HD23 LEU 82 -29.498 24.174 7.627 1397 H ASP 83 H ASP 83 -26.897 28.566 7.116 1398 HA ASP 83 HA ASP 83 -27.764 31.186 6.243 1399 HB2 ASP 83 HB2 ASP 83 -25.362 30.564 6.554 1400 HB3 ASP 83 HB3 ASP 83 -25.510 29.471 5.180 1401 H ASP 84 H ASP 84 -26.828 28.329 4.329 1402 HA ASP 84 HA ASP 84 -29.211 28.648 2.624 1403 HB2 ASP 84 HB2 ASP 84 -26.349 28.873 1.680 1404 HB3 ASP 84 HB3 ASP 84 -27.697 28.525 0.600 1405 H ILE 85 H ILE 85 -26.111 26.918 2.313 1406 HA ILE 85 HA ILE 85 -27.376 24.352 2.838 1407 HB ILE 85 HB ILE 85 -26.674 23.428 0.616 1408 HG12 ILE 85 HG12 ILE 85 -26.290 26.371 -0.009 1409 HG13 ILE 85 HG13 ILE 85 -25.034 25.133 0.008 1410 HG21 ILE 85 HG21 ILE 85 -28.623 25.713 0.256 1411 HG22 ILE 85 HG22 ILE 85 -29.034 24.272 1.187 1412 HG23 ILE 85 HG23 ILE 85 -28.638 24.132 -0.524 1413 HD11 ILE 85 HD11 ILE 85 -25.630 25.389 -2.284 1414 HD12 ILE 85 HD12 ILE 85 -27.353 25.402 -1.911 1415 HD13 ILE 85 HD13 ILE 85 -26.429 23.908 -1.758 1416 H HIS 86 H HIS 86 -24.553 26.215 1.849 1417 HA HIS 86 HA HIS 86 -22.541 24.347 1.950 1418 HB2 HIS 86 HB2 HIS 86 -22.335 27.093 3.202 1419 HB3 HIS 86 HB3 HIS 86 -21.036 26.138 2.486 1420 HD1 HIS 86 HD1 HIS 86 -22.361 29.041 1.567 1421 HD2 HIS 86 HD2 HIS 86 -22.628 25.348 -0.347 1422 HE1 HIS 86 HE1 HIS 86 -22.901 29.530 -0.856 1423 HE2 HIS 86 HE2 HIS 86 -23.066 27.290 -2.040 1424 H VAL 87 H VAL 87 -23.966 26.098 4.703 1425 HA VAL 87 HA VAL 87 -22.344 24.932 6.697 1426 HB VAL 87 HB VAL 87 -25.174 25.985 6.944 1427 HG11 VAL 87 HG11 VAL 87 -24.429 26.419 9.305 1428 HG12 VAL 87 HG12 VAL 87 -22.959 25.507 8.958 1429 HG13 VAL 87 HG13 VAL 87 -24.529 24.705 8.901 1430 HG21 VAL 87 HG21 VAL 87 -23.944 28.069 7.698 1431 HG22 VAL 87 HG22 VAL 87 -23.780 27.699 5.981 1432 HG23 VAL 87 HG23 VAL 87 -22.462 27.329 7.094 1433 H ALA 88 H ALA 88 -25.570 24.045 5.477 1434 HA ALA 88 HA ALA 88 -26.009 21.882 7.224 1435 HB1 ALA 88 HB1 ALA 88 -27.682 21.147 5.557 1436 HB2 ALA 88 HB2 ALA 88 -27.035 22.317 4.407 1437 HB3 ALA 88 HB3 ALA 88 -27.807 22.873 5.892 1438 H THR 89 H THR 89 -24.619 21.975 3.946 1439 HA THR 89 HA THR 89 -24.231 19.197 3.675 1440 HB THR 89 HB THR 89 -22.466 21.320 2.451 1441 HG1 THR 89 HG1 THR 89 -25.119 20.553 1.896 1442 HG21 THR 89 HG21 THR 89 -21.907 18.891 2.141 1443 HG22 THR 89 HG22 THR 89 -22.287 19.723 0.634 1444 HG23 THR 89 HG23 THR 89 -23.487 18.673 1.386 1445 H MET 90 H MET 90 -22.346 21.693 5.254 1446 HA MET 90 HA MET 90 -19.906 20.306 5.514 1447 HB2 MET 90 HB2 MET 90 -20.224 22.731 5.994 1448 HB3 MET 90 HB3 MET 90 -21.107 22.292 7.458 1449 HG2 MET 90 HG2 MET 90 -19.139 21.109 8.318 1450 HG3 MET 90 HG3 MET 90 -18.251 21.473 6.840 1451 HE1 MET 90 HE1 MET 90 -17.965 23.593 5.889 1452 HE2 MET 90 HE2 MET 90 -17.461 25.026 6.782 1453 HE3 MET 90 HE3 MET 90 -19.159 24.800 6.368 1454 H LEU 91 H LEU 91 -22.918 20.124 7.292 1455 HA LEU 91 HA LEU 91 -21.938 18.694 9.544 1456 HB2 LEU 91 HB2 LEU 91 -24.729 18.408 8.436 1457 HB3 LEU 91 HB3 LEU 91 -24.199 18.338 10.115 1458 HG LEU 91 HG LEU 91 -24.248 20.785 8.328 1459 HD11 LEU 91 HD11 LEU 91 -25.872 21.612 9.974 1460 HD12 LEU 91 HD12 LEU 91 -25.715 20.117 10.898 1461 HD13 LEU 91 HD13 LEU 91 -26.427 20.086 9.285 1462 HD21 LEU 91 HD21 LEU 91 -23.098 20.319 11.086 1463 HD22 LEU 91 HD22 LEU 91 -23.545 21.928 10.515 1464 HD23 LEU 91 HD23 LEU 91 -22.295 21.011 9.676 1465 H LYS 92 H LYS 92 -23.422 17.655 6.483 1466 HA LYS 92 HA LYS 92 -23.219 14.859 7.084 1467 HB2 LYS 92 HB2 LYS 92 -23.792 16.439 4.578 1468 HB3 LYS 92 HB3 LYS 92 -23.618 14.686 4.530 1469 HG2 LYS 92 HG2 LYS 92 -25.987 15.408 4.786 1470 HG3 LYS 92 HG3 LYS 92 -25.429 14.414 6.131 1471 HD2 LYS 92 HD2 LYS 92 -25.226 16.280 7.578 1472 HD3 LYS 92 HD3 LYS 92 -25.298 17.431 6.243 1473 HE2 LYS 92 HE2 LYS 92 -27.441 17.378 7.455 1474 HE3 LYS 92 HE3 LYS 92 -27.645 16.766 5.814 1475 HZ1 LYS 92 HZ1 LYS 92 -26.937 14.779 7.797 1476 HZ2 LYS 92 HZ2 LYS 92 -28.078 14.706 6.542 1477 HZ3 LYS 92 HZ3 LYS 92 -28.470 15.478 8.003 1478 H GLN 93 H GLN 93 -21.559 16.821 4.610 1479 HA GLN 93 HA GLN 93 -19.727 15.147 3.624 1480 HB2 GLN 93 HB2 GLN 93 -19.957 17.649 3.197 1481 HB3 GLN 93 HB3 GLN 93 -18.877 17.885 4.571 1482 HG2 GLN 93 HG2 GLN 93 -17.454 17.850 2.666 1483 HG3 GLN 93 HG3 GLN 93 -17.283 16.254 3.394 1484 HE21 GLN 93 HE21 GLN 93 -17.966 14.436 2.158 1485 HE22 GLN 93 HE22 GLN 93 -18.634 14.566 0.602 1486 H ALA 94 H ALA 94 -19.558 16.563 6.855 1487 HA ALA 94 HA ALA 94 -16.917 15.684 7.442 1488 HB1 ALA 94 HB1 ALA 94 -19.244 16.441 9.221 1489 HB2 ALA 94 HB2 ALA 94 -17.875 17.453 8.761 1490 HB3 ALA 94 HB3 ALA 94 -17.630 16.071 9.828 1491 H ILE 95 H ILE 95 -19.991 14.495 8.817 1492 HA ILE 95 HA ILE 95 -18.922 12.115 9.858 1493 HB ILE 95 HB ILE 95 -21.769 12.487 8.915 1494 HG12 ILE 95 HG12 ILE 95 -21.225 14.463 10.183 1495 HG13 ILE 95 HG13 ILE 95 -22.162 13.401 11.230 1496 HG21 ILE 95 HG21 ILE 95 -21.334 10.250 9.674 1497 HG22 ILE 95 HG22 ILE 95 -22.193 11.076 10.972 1498 HG23 ILE 95 HG23 ILE 95 -20.450 10.835 11.083 1499 HD11 ILE 95 HD11 ILE 95 -19.862 12.506 12.035 1500 HD12 ILE 95 HD12 ILE 95 -20.368 14.097 12.597 1501 HD13 ILE 95 HD13 ILE 95 -19.197 13.956 11.287 1502 H HIS 96 H HIS 96 -19.421 13.012 6.650 1503 HA HIS 96 HA HIS 96 -20.107 10.431 5.586 1504 HB2 HIS 96 HB2 HIS 96 -20.586 12.667 4.485 1505 HB3 HIS 96 HB3 HIS 96 -18.868 12.748 4.091 1506 HD1 HIS 96 HD1 HIS 96 -17.985 11.167 2.261 1507 HD2 HIS 96 HD2 HIS 96 -22.033 10.614 3.092 1508 HE1 HIS 96 HE1 HIS 96 -18.888 9.659 0.440 1509 HE2 HIS 96 HE2 HIS 96 -21.355 9.308 0.932 1510 H HIS 97 H HIS 97 -17.115 12.360 5.738 1511 HA HIS 97 HA HIS 97 -15.536 10.279 4.522 1512 HB2 HIS 97 HB2 HIS 97 -15.028 12.751 4.380 1513 HB3 HIS 97 HB3 HIS 97 -14.541 12.676 6.074 1514 HD1 HIS 97 HD1 HIS 97 -13.525 11.538 2.644 1515 HD2 HIS 97 HD2 HIS 97 -12.105 11.267 6.555 1516 HE1 HIS 97 HE1 HIS 97 -11.158 10.656 2.485 1517 HE2 HIS 97 HE2 HIS 97 -10.280 10.473 4.861 1518 H ALA 98 H ALA 98 -16.747 10.813 7.639 1519 HA ALA 98 HA ALA 98 -14.775 10.056 9.393 1520 HB1 ALA 98 HB1 ALA 98 -17.640 9.074 9.445 1521 HB2 ALA 98 HB2 ALA 98 -17.095 10.639 10.049 1522 HB3 ALA 98 HB3 ALA 98 -16.538 9.154 10.820 1523 H ASN 99 H ASN 99 -17.170 7.628 8.404 1524 HA ASN 99 HA ASN 99 -15.223 5.506 8.715 1525 HB2 ASN 99 HB2 ASN 99 -18.026 5.299 7.602 1526 HB3 ASN 99 HB3 ASN 99 -17.052 4.012 8.311 1527 HD21 ASN 99 HD21 ASN 99 -19.046 6.831 9.060 1528 HD22 ASN 99 HD22 ASN 99 -19.093 6.572 10.737 1529 H HIS 100 H HIS 100 -14.307 4.275 7.104 1530 HA HIS 100 HA HIS 100 -15.045 4.598 4.333 1531 HB2 HIS 100 HB2 HIS 100 -13.645 6.649 4.885 1532 HB3 HIS 100 HB3 HIS 100 -12.291 5.548 5.137 1533 HD1 HIS 100 HD1 HIS 100 -14.767 6.552 2.431 1534 HD2 HIS 100 HD2 HIS 100 -11.033 4.729 2.788 1535 HE1 HIS 100 HE1 HIS 100 -13.874 6.286 0.079 1536 HE2 HIS 100 HE2 HIS 100 -11.605 5.163 0.275 1537 HA PRO 101 HA PRO 101 -12.694 0.740 5.540 1538 HB2 PRO 101 HB2 PRO 101 -14.716 -1.064 5.480 1539 HB3 PRO 101 HB3 PRO 101 -14.432 -0.040 6.899 1540 HG2 PRO 101 HG2 PRO 101 -16.417 0.317 4.684 1541 HG3 PRO 101 HG3 PRO 101 -16.659 0.465 6.431 1542 HD2 PRO 101 HD2 PRO 101 -16.245 2.637 4.785 1543 HD3 PRO 101 HD3 PRO 101 -15.766 2.620 6.496 1544 H LYS 102 H LYS 102 -12.939 -1.507 4.223 1545 HA LYS 102 HA LYS 102 -13.843 -1.218 1.503 1546 HB2 LYS 102 HB2 LYS 102 -11.746 0.074 1.399 1547 HB3 LYS 102 HB3 LYS 102 -10.863 -1.312 2.039 1548 HG2 LYS 102 HG2 LYS 102 -11.375 -2.636 0.098 1549 HG3 LYS 102 HG3 LYS 102 -12.524 -1.435 -0.490 1550 HD2 LYS 102 HD2 LYS 102 -10.664 0.196 -0.728 1551 HD3 LYS 102 HD3 LYS 102 -9.529 -1.048 -0.205 1552 HE2 LYS 102 HE2 LYS 102 -10.142 -2.449 -2.121 1553 HE3 LYS 102 HE3 LYS 102 -11.340 -1.259 -2.629 1554 HZ1 LYS 102 HZ1 LYS 102 -8.475 -1.239 -2.950 1555 HZ2 LYS 102 HZ2 LYS 102 -9.115 0.232 -2.392 1556 HZ3 LYS 102 HZ3 LYS 102 -9.675 -0.441 -3.848 1557 H GLU 103 H GLU 103 -11.785 -2.978 3.789 1558 HA GLU 103 HA GLU 103 -11.373 -5.229 4.057 1559 HB2 GLU 103 HB2 GLU 103 -14.218 -5.441 3.039 1560 HB3 GLU 103 HB3 GLU 103 -13.355 -6.648 3.992 1561 HG2 GLU 103 HG2 GLU 103 -13.911 -3.814 4.918 1562 HG3 GLU 103 HG3 GLU 103 -14.881 -5.214 5.369 Start of MODEL 21 1 H ASN 9 H ASN 9 -23.703 5.934 18.692 2 HA ASN 9 HA ASN 9 -21.678 6.494 17.306 3 HB2 ASN 9 HB2 ASN 9 -22.852 8.553 16.380 4 HB3 ASN 9 HB3 ASN 9 -23.852 7.108 16.510 5 HD21 ASN 9 HD21 ASN 9 -24.293 10.249 16.834 6 HD22 ASN 9 HD22 ASN 9 -25.276 10.322 18.216 7 H THR 10 H THR 10 -22.078 8.038 20.302 8 HA THR 10 HA THR 10 -20.894 10.491 20.132 9 HB THR 10 HB THR 10 -20.155 8.476 22.260 10 HG1 THR 10 HG1 THR 10 -22.098 9.496 23.248 11 HG21 THR 10 HG21 THR 10 -18.976 10.638 22.335 12 HG22 THR 10 HG22 THR 10 -20.108 10.499 23.681 13 HG23 THR 10 HG23 THR 10 -20.521 11.488 22.279 14 H ASP 11 H ASP 11 -19.403 7.409 19.573 15 HA ASP 11 HA ASP 11 -16.695 8.080 19.964 16 HB2 ASP 11 HB2 ASP 11 -17.710 6.214 17.821 17 HB3 ASP 11 HB3 ASP 11 -16.182 6.137 18.696 18 H THR 12 H THR 12 -18.884 8.562 17.249 19 HA THR 12 HA THR 12 -16.877 9.455 15.415 20 HB THR 12 HB THR 12 -18.761 10.139 14.020 21 HG1 THR 12 HG1 THR 12 -20.817 10.151 14.844 22 HG21 THR 12 HG21 THR 12 -19.255 7.545 15.512 23 HG22 THR 12 HG22 THR 12 -18.238 7.750 14.086 24 HG23 THR 12 HG23 THR 12 -19.984 7.968 13.963 25 H LEU 13 H LEU 13 -19.420 11.183 17.233 26 HA LEU 13 HA LEU 13 -19.002 13.755 16.549 27 HB2 LEU 13 HB2 LEU 13 -20.665 13.108 18.197 28 HB3 LEU 13 HB3 LEU 13 -19.406 12.675 19.348 29 HG LEU 13 HG LEU 13 -18.691 14.999 19.513 30 HD11 LEU 13 HD11 LEU 13 -20.663 15.381 17.260 31 HD12 LEU 13 HD12 LEU 13 -18.992 15.936 17.372 32 HD13 LEU 13 HD13 LEU 13 -20.244 16.723 18.322 33 HD21 LEU 13 HD21 LEU 13 -20.809 15.971 20.435 34 HD22 LEU 13 HD22 LEU 13 -20.496 14.325 20.986 35 HD23 LEU 13 HD23 LEU 13 -21.691 14.620 19.722 36 H GLU 14 H GLU 14 -16.789 11.753 18.340 37 HA GLU 14 HA GLU 14 -15.115 13.944 19.225 38 HB2 GLU 14 HB2 GLU 14 -14.739 10.943 19.210 39 HB3 GLU 14 HB3 GLU 14 -13.547 12.072 19.849 40 HG2 GLU 14 HG2 GLU 14 -15.204 12.946 21.440 41 HG3 GLU 14 HG3 GLU 14 -16.424 11.856 20.784 42 H ARG 15 H ARG 15 -14.903 11.374 16.772 43 HA ARG 15 HA ARG 15 -12.401 12.292 15.733 44 HB2 ARG 15 HB2 ARG 15 -14.478 10.430 14.556 45 HB3 ARG 15 HB3 ARG 15 -12.862 10.681 13.898 46 HG2 ARG 15 HG2 ARG 15 -11.978 10.032 16.211 47 HG3 ARG 15 HG3 ARG 15 -13.614 9.482 16.570 48 HD2 ARG 15 HD2 ARG 15 -11.735 8.461 14.433 49 HD3 ARG 15 HD3 ARG 15 -12.446 7.559 15.769 50 HE ARG 15 HE ARG 15 -14.558 8.541 14.225 51 HH11 ARG 15 HH21 ARG 15 -11.839 6.421 13.926 52 HH12 ARG 15 HH22 ARG 15 -12.599 5.387 12.763 53 HH21 ARG 15 HH11 ARG 15 -15.560 7.191 12.700 54 HH22 ARG 15 HH12 ARG 15 -14.708 5.820 12.072 55 H VAL 16 H VAL 16 -15.693 13.185 15.204 56 HA VAL 16 HA VAL 16 -15.392 14.201 12.552 57 HB VAL 16 HB VAL 16 -17.450 14.755 14.699 58 HG11 VAL 16 HG11 VAL 16 -17.271 15.633 11.809 59 HG12 VAL 16 HG12 VAL 16 -17.506 16.645 13.234 60 HG13 VAL 16 HG13 VAL 16 -18.798 15.576 12.689 61 HG21 VAL 16 HG21 VAL 16 -18.810 13.187 13.500 62 HG22 VAL 16 HG22 VAL 16 -17.233 12.422 13.692 63 HG23 VAL 16 HG23 VAL 16 -17.679 13.144 12.147 64 H THR 17 H THR 17 -14.795 15.498 15.744 65 HA THR 17 HA THR 17 -14.493 18.234 14.733 66 HB THR 17 HB THR 17 -15.565 18.068 16.862 67 HG1 THR 17 HG1 THR 17 -13.030 18.697 17.768 68 HG21 THR 17 HG21 THR 17 -13.174 16.382 17.647 69 HG22 THR 17 HG22 THR 17 -14.854 15.856 17.539 70 HG23 THR 17 HG23 THR 17 -14.366 16.996 18.794 71 H GLU 18 H GLU 18 -12.533 15.513 15.789 72 HA GLU 18 HA GLU 18 -10.096 16.976 16.040 73 HB2 GLU 18 HB2 GLU 18 -10.722 14.039 15.735 74 HB3 GLU 18 HB3 GLU 18 -9.071 14.639 15.871 75 HG2 GLU 18 HG2 GLU 18 -9.719 15.773 18.012 76 HG3 GLU 18 HG3 GLU 18 -11.299 14.999 17.892 77 H ILE 19 H ILE 19 -11.885 15.913 13.336 78 HA ILE 19 HA ILE 19 -9.738 15.411 11.535 79 HB ILE 19 HB ILE 19 -12.157 14.718 11.235 80 HG12 ILE 19 HG12 ILE 19 -10.853 16.232 8.954 81 HG13 ILE 19 HG13 ILE 19 -10.450 14.585 9.440 82 HG21 ILE 19 HG21 ILE 19 -12.541 17.473 10.061 83 HG22 ILE 19 HG22 ILE 19 -12.952 17.134 11.740 84 HG23 ILE 19 HG23 ILE 19 -13.760 16.256 10.442 85 HD11 ILE 19 HD11 ILE 19 -13.081 15.592 8.330 86 HD12 ILE 19 HD12 ILE 19 -12.903 14.008 9.084 87 HD13 ILE 19 HD13 ILE 19 -12.000 14.394 7.618 88 H PHE 20 H PHE 20 -11.640 18.296 12.308 89 HA PHE 20 HA PHE 20 -10.372 19.937 10.330 90 HB2 PHE 20 HB2 PHE 20 -11.895 20.815 12.792 91 HB3 PHE 20 HB3 PHE 20 -11.592 21.762 11.337 92 HD1 PHE 20 HD2 PHE 20 -12.294 20.497 9.070 93 HD2 PHE 20 HD1 PHE 20 -13.994 19.771 12.948 94 HE1 PHE 20 HE2 PHE 20 -14.331 19.570 8.004 95 HE2 PHE 20 HE1 PHE 20 -16.030 18.843 11.881 96 HZ PHE 20 HZ PHE 20 -16.199 18.743 9.409 97 H LYS 21 H LYS 21 -10.178 19.906 13.903 98 HA LYS 21 HA LYS 21 -8.293 21.834 14.312 99 HB2 LYS 21 HB2 LYS 21 -8.549 19.166 15.717 100 HB3 LYS 21 HB3 LYS 21 -7.568 20.507 16.309 101 HG2 LYS 21 HG2 LYS 21 -9.506 21.924 16.530 102 HG3 LYS 21 HG3 LYS 21 -10.526 20.748 15.699 103 HD2 LYS 21 HD2 LYS 21 -10.389 19.203 17.513 104 HD3 LYS 21 HD3 LYS 21 -9.065 20.091 18.264 105 HE2 LYS 21 HE2 LYS 21 -10.586 22.008 18.653 106 HE3 LYS 21 HE3 LYS 21 -11.910 21.092 17.931 107 HZ1 LYS 21 HZ1 LYS 21 -12.268 20.395 20.007 108 HZ2 LYS 21 HZ2 LYS 21 -10.730 20.868 20.549 109 HZ3 LYS 21 HZ3 LYS 21 -10.933 19.375 19.765 110 H ALA 22 H ALA 22 -7.695 18.489 13.309 111 HA ALA 22 HA ALA 22 -4.936 18.387 13.551 112 HB1 ALA 22 HB1 ALA 22 -5.007 16.706 11.733 113 HB2 ALA 22 HB2 ALA 22 -6.667 17.180 11.379 114 HB3 ALA 22 HB3 ALA 22 -6.275 16.438 12.930 115 H LEU 23 H LEU 23 -6.847 20.245 11.377 116 HA LEU 23 HA LEU 23 -4.608 20.758 9.535 117 HB2 LEU 23 HB2 LEU 23 -7.386 21.925 9.392 118 HB3 LEU 23 HB3 LEU 23 -6.204 21.744 8.095 119 HG LEU 23 HG LEU 23 -7.598 19.475 9.549 120 HD11 LEU 23 HD11 LEU 23 -7.940 20.713 6.809 121 HD12 LEU 23 HD12 LEU 23 -9.156 20.535 8.074 122 HD13 LEU 23 HD13 LEU 23 -8.560 19.114 7.218 123 HD21 LEU 23 HD21 LEU 23 -5.457 18.666 8.908 124 HD22 LEU 23 HD22 LEU 23 -5.480 19.567 7.393 125 HD23 LEU 23 HD23 LEU 23 -6.527 18.164 7.601 126 H GLY 24 H GLY 24 -5.139 21.809 12.474 127 HA2 GLY 24 HA2 GLY 24 -5.340 24.652 12.138 128 HA3 GLY 24 HA3 GLY 24 -4.920 23.802 13.620 129 H ASP 25 H ASP 25 -3.577 24.632 10.427 130 HA ASP 25 HA ASP 25 -1.186 25.709 11.579 131 HB2 ASP 25 HB2 ASP 25 -0.825 23.187 11.681 132 HB3 ASP 25 HB3 ASP 25 -0.807 23.215 9.919 133 H TYR 26 H TYR 26 -1.151 27.477 10.341 134 HA TYR 26 HA TYR 26 -2.233 27.935 7.875 135 HB2 TYR 26 HB2 TYR 26 -0.417 29.681 7.595 136 HB3 TYR 26 HB3 TYR 26 -1.321 29.770 9.107 137 HD1 TYR 26 HD1 TYR 26 -0.303 29.106 11.232 138 HD2 TYR 26 HD2 TYR 26 1.896 28.892 7.548 139 HE1 TYR 26 HE1 TYR 26 1.805 28.825 12.507 140 HE2 TYR 26 HE2 TYR 26 4.005 28.617 8.823 141 HH TYR 26 HH TYR 26 4.034 27.971 12.205 142 H ASN 27 H ASN 27 1.023 26.675 8.533 143 HA ASN 27 HA ASN 27 2.038 26.601 5.959 144 HB2 ASN 27 HB2 ASN 27 3.378 26.042 7.922 145 HB3 ASN 27 HB3 ASN 27 2.422 24.585 8.185 146 HD21 ASN 27 HD21 ASN 27 3.498 25.793 4.998 147 HD22 ASN 27 HD22 ASN 27 4.500 24.465 4.659 148 H ARG 28 H ARG 28 -0.284 24.453 7.486 149 HA ARG 28 HA ARG 28 -0.144 22.434 5.461 150 HB2 ARG 28 HB2 ARG 28 -0.916 22.109 7.855 151 HB3 ARG 28 HB3 ARG 28 -2.407 22.921 7.398 152 HG2 ARG 28 HG2 ARG 28 -3.016 20.702 7.038 153 HG3 ARG 28 HG3 ARG 28 -2.433 21.129 5.436 154 HD2 ARG 28 HD2 ARG 28 -1.508 18.974 6.144 155 HD3 ARG 28 HD3 ARG 28 -0.219 20.164 6.000 156 HE ARG 28 HE ARG 28 0.141 19.957 8.278 157 HH11 ARG 28 HH21 ARG 28 -2.993 18.781 7.409 158 HH12 ARG 28 HH22 ARG 28 -3.346 18.146 8.981 159 HH21 ARG 28 HH11 ARG 28 -0.312 19.126 10.346 160 HH22 ARG 28 HH12 ARG 28 -1.827 18.340 10.644 161 H ILE 29 H ILE 29 -2.598 24.921 6.232 162 HA ILE 29 HA ILE 29 -4.461 24.355 4.318 163 HB ILE 29 HB ILE 29 -3.531 27.026 5.373 164 HG12 ILE 29 HG12 ILE 29 -5.771 26.896 6.504 165 HG13 ILE 29 HG13 ILE 29 -5.964 25.274 5.851 166 HG21 ILE 29 HG21 ILE 29 -4.478 27.589 3.248 167 HG22 ILE 29 HG22 ILE 29 -5.745 27.879 4.437 168 HG23 ILE 29 HG23 ILE 29 -5.783 26.421 3.445 169 HD11 ILE 29 HD11 ILE 29 -3.537 26.017 7.482 170 HD12 ILE 29 HD12 ILE 29 -4.199 24.413 7.160 171 HD13 ILE 29 HD13 ILE 29 -5.037 25.510 8.255 172 H ARG 30 H ARG 30 -1.409 26.120 3.816 173 HA ARG 30 HA ARG 30 -1.999 26.799 1.111 174 HB2 ARG 30 HB2 ARG 30 -0.359 28.007 2.550 175 HB3 ARG 30 HB3 ARG 30 0.708 26.607 2.447 176 HG2 ARG 30 HG2 ARG 30 0.758 26.826 -0.012 177 HG3 ARG 30 HG3 ARG 30 -0.315 28.220 0.089 178 HD2 ARG 30 HD2 ARG 30 2.329 28.134 1.550 179 HD3 ARG 30 HD3 ARG 30 2.205 28.690 -0.113 180 HE ARG 30 HE ARG 30 1.009 30.581 0.611 181 HH11 ARG 30 HH21 ARG 30 1.714 28.395 3.215 182 HH12 ARG 30 HH22 ARG 30 1.370 29.557 4.450 183 HH21 ARG 30 HH11 ARG 30 0.534 32.081 2.234 184 HH22 ARG 30 HH12 ARG 30 0.689 31.630 3.899 185 H ILE 31 H ILE 31 -0.448 24.059 2.669 186 HA ILE 31 HA ILE 31 0.630 22.950 0.245 187 HB ILE 31 HB ILE 31 0.099 21.728 2.963 188 HG12 ILE 31 HG12 ILE 31 2.732 22.447 1.659 189 HG13 ILE 31 HG13 ILE 31 1.844 23.588 2.669 190 HG21 ILE 31 HG21 ILE 31 1.426 20.624 0.476 191 HG22 ILE 31 HG22 ILE 31 0.104 19.913 1.402 192 HG23 ILE 31 HG23 ILE 31 1.729 19.966 2.085 193 HD11 ILE 31 HD11 ILE 31 2.546 20.804 3.621 194 HD12 ILE 31 HD12 ILE 31 2.021 22.184 4.588 195 HD13 ILE 31 HD13 ILE 31 3.626 22.180 3.854 196 H MET 32 H MET 32 -2.328 22.514 2.132 197 HA MET 32 HA MET 32 -3.349 20.301 0.694 198 HB2 MET 32 HB2 MET 32 -4.235 20.970 2.883 199 HB3 MET 32 HB3 MET 32 -4.833 22.477 2.189 200 HG2 MET 32 HG2 MET 32 -6.415 21.338 0.821 201 HG3 MET 32 HG3 MET 32 -5.650 19.776 1.105 202 HE1 MET 32 HE1 MET 32 -8.346 19.237 1.459 203 HE2 MET 32 HE2 MET 32 -8.533 18.657 3.113 204 HE3 MET 32 HE3 MET 32 -7.103 18.213 2.183 205 H GLU 33 H GLU 33 -3.635 23.797 0.228 206 HA GLU 33 HA GLU 33 -5.597 23.804 -1.776 207 HB2 GLU 33 HB2 GLU 33 -4.745 25.840 -0.635 208 HB3 GLU 33 HB3 GLU 33 -3.226 25.671 -1.516 209 HG2 GLU 33 HG2 GLU 33 -4.298 26.032 -3.620 210 HG3 GLU 33 HG3 GLU 33 -5.903 25.839 -2.916 211 H LEU 34 H LEU 34 -2.146 23.167 -1.902 212 HA LEU 34 HA LEU 34 -1.880 23.263 -4.730 213 HB2 LEU 34 HB2 LEU 34 -0.067 23.279 -2.844 214 HB3 LEU 34 HB3 LEU 34 -0.155 21.526 -2.968 215 HG LEU 34 HG LEU 34 0.468 23.448 -5.231 216 HD11 LEU 34 HD11 LEU 34 2.700 22.376 -5.138 217 HD12 LEU 34 HD12 LEU 34 2.176 21.429 -3.745 218 HD13 LEU 34 HD13 LEU 34 2.305 23.184 -3.620 219 HD21 LEU 34 HD21 LEU 34 1.069 21.187 -6.368 220 HD22 LEU 34 HD22 LEU 34 -0.630 21.632 -6.264 221 HD23 LEU 34 HD23 LEU 34 0.045 20.459 -5.131 222 H LEU 35 H LEU 35 -1.792 20.397 -2.595 223 HA LEU 35 HA LEU 35 -1.993 18.437 -4.505 224 HB2 LEU 35 HB2 LEU 35 -3.496 18.299 -1.889 225 HB3 LEU 35 HB3 LEU 35 -2.791 16.969 -2.804 226 HG LEU 35 HG LEU 35 -1.306 19.174 -1.351 227 HD11 LEU 35 HD11 LEU 35 -0.362 17.243 -0.097 228 HD12 LEU 35 HD12 LEU 35 -1.416 16.163 -1.008 229 HD13 LEU 35 HD13 LEU 35 -2.113 17.361 0.082 230 HD21 LEU 35 HD21 LEU 35 -0.021 18.823 -3.309 231 HD22 LEU 35 HD22 LEU 35 -0.368 17.093 -3.332 232 HD23 LEU 35 HD23 LEU 35 0.724 17.760 -2.118 233 H SER 36 H SER 36 -4.356 20.781 -3.727 234 HA SER 36 HA SER 36 -6.685 19.304 -4.488 235 HB2 SER 36 HB2 SER 36 -7.840 21.309 -4.194 236 HB3 SER 36 HB3 SER 36 -6.426 21.588 -3.180 237 HG SER 36 HG SER 36 -6.939 23.297 -4.701 238 H VAL 37 H VAL 37 -4.647 21.707 -6.160 239 HA VAL 37 HA VAL 37 -5.991 21.501 -8.657 240 HB VAL 37 HB VAL 37 -3.102 22.288 -8.261 241 HG11 VAL 37 HG11 VAL 37 -5.179 23.366 -10.178 242 HG12 VAL 37 HG12 VAL 37 -4.135 22.004 -10.582 243 HG13 VAL 37 HG13 VAL 37 -3.430 23.585 -10.241 244 HG21 VAL 37 HG21 VAL 37 -4.419 23.503 -6.608 245 HG22 VAL 37 HG22 VAL 37 -5.627 23.911 -7.826 246 HG23 VAL 37 HG23 VAL 37 -4.007 24.600 -7.926 247 H SER 38 H SER 38 -2.754 20.322 -7.734 248 HA SER 38 HA SER 38 -3.187 17.851 -9.274 249 HB2 SER 38 HB2 SER 38 -1.009 19.874 -9.821 250 HB3 SER 38 HB3 SER 38 -0.942 18.203 -10.377 251 HG SER 38 HG SER 38 -1.966 20.019 -11.729 252 H GLU 39 H GLU 39 -1.710 16.184 -8.779 253 HA GLU 39 HA GLU 39 -0.987 16.013 -6.061 254 HB2 GLU 39 HB2 GLU 39 -0.096 14.359 -8.436 255 HB3 GLU 39 HB3 GLU 39 0.199 13.929 -6.751 256 HG2 GLU 39 HG2 GLU 39 -1.792 12.764 -7.486 257 HG3 GLU 39 HG3 GLU 39 -2.284 14.031 -6.364 258 H ALA 40 H ALA 40 1.267 15.442 -5.319 259 HA ALA 40 HA ALA 40 3.472 16.637 -6.777 260 HB1 ALA 40 HB1 ALA 40 2.514 17.835 -4.166 261 HB2 ALA 40 HB2 ALA 40 2.518 18.629 -5.740 262 HB3 ALA 40 HB3 ALA 40 4.044 18.221 -4.955 263 H SER 41 H SER 41 5.460 15.923 -6.059 264 HA SER 41 HA SER 41 5.425 13.608 -4.306 265 HB2 SER 41 HB2 SER 41 7.819 14.939 -5.588 266 HB3 SER 41 HB3 SER 41 7.700 13.285 -4.990 267 HG SER 41 HG SER 41 6.964 14.320 -7.383 268 H VAL 42 H VAL 42 7.220 13.441 -2.631 269 HA VAL 42 HA VAL 42 6.815 15.288 -0.585 270 HB VAL 42 HB VAL 42 9.254 13.540 -1.000 271 HG11 VAL 42 HG11 VAL 42 7.992 14.793 1.457 272 HG12 VAL 42 HG12 VAL 42 9.573 15.175 0.775 273 HG13 VAL 42 HG13 VAL 42 9.286 13.596 1.505 274 HG21 VAL 42 HG21 VAL 42 6.510 12.989 0.150 275 HG22 VAL 42 HG22 VAL 42 7.910 11.982 0.518 276 HG23 VAL 42 HG23 VAL 42 7.335 12.120 -1.143 277 H GLY 43 H GLY 43 9.726 14.947 -2.628 278 HA2 GLY 43 HA2 GLY 43 11.001 17.265 -1.640 279 HA3 GLY 43 HA3 GLY 43 11.415 16.423 -3.127 280 H HIS 44 H HIS 44 8.785 16.768 -4.349 281 HA HIS 44 HA HIS 44 9.242 19.168 -5.712 282 HB2 HIS 44 HB2 HIS 44 7.816 17.165 -6.434 283 HB3 HIS 44 HB3 HIS 44 6.528 17.866 -5.456 284 HD1 HIS 44 HD1 HIS 44 4.966 18.968 -7.067 285 HD2 HIS 44 HD2 HIS 44 8.951 19.747 -8.012 286 HE1 HIS 44 HE1 HIS 44 4.936 20.585 -9.014 287 HE2 HIS 44 HE2 HIS 44 7.357 21.069 -9.606 288 H ILE 45 H ILE 45 7.517 18.518 -2.776 289 HA ILE 45 HA ILE 45 5.997 20.954 -2.746 290 HB ILE 45 HB ILE 45 6.681 18.970 -0.569 291 HG12 ILE 45 HG12 ILE 45 4.027 19.526 -1.908 292 HG13 ILE 45 HG13 ILE 45 5.164 18.339 -2.543 293 HG21 ILE 45 HG21 ILE 45 4.959 21.457 -0.536 294 HG22 ILE 45 HG22 ILE 45 6.261 21.026 0.572 295 HG23 ILE 45 HG23 ILE 45 4.736 20.142 0.617 296 HD11 ILE 45 HD11 ILE 45 4.236 18.302 0.336 297 HD12 ILE 45 HD12 ILE 45 5.038 17.013 -0.563 298 HD13 ILE 45 HD13 ILE 45 3.371 17.447 -0.942 299 H SER 46 H SER 46 9.244 20.095 -1.862 300 HA SER 46 HA SER 46 9.803 21.972 0.105 301 HB2 SER 46 HB2 SER 46 11.567 20.874 -2.091 302 HB3 SER 46 HB3 SER 46 12.166 21.853 -0.756 303 HG SER 46 HG SER 46 11.933 20.222 0.552 304 H HIS 47 H HIS 47 8.883 22.562 -3.095 305 HA HIS 47 HA HIS 47 10.291 25.129 -3.312 306 HB2 HIS 47 HB2 HIS 47 9.464 25.200 -5.560 307 HB3 HIS 47 HB3 HIS 47 10.066 23.570 -5.269 308 HD1 HIS 47 HD1 HIS 47 7.223 23.244 -3.431 309 HD2 HIS 47 HD2 HIS 47 7.724 23.826 -7.528 310 HE1 HIS 47 HE1 HIS 47 5.066 22.502 -4.527 311 HE2 HIS 47 HE2 HIS 47 5.357 22.839 -7.026 312 H GLN 48 H GLN 48 7.291 23.879 -2.254 313 HA GLN 48 HA GLN 48 5.658 26.142 -2.867 314 HB2 GLN 48 HB2 GLN 48 4.830 23.803 -2.382 315 HB3 GLN 48 HB3 GLN 48 5.186 24.110 -0.681 316 HG2 GLN 48 HG2 GLN 48 3.660 26.004 -0.656 317 HG3 GLN 48 HG3 GLN 48 3.380 25.846 -2.389 318 HE21 GLN 48 HE21 GLN 48 1.028 25.593 -1.673 319 HE22 GLN 48 HE22 GLN 48 0.502 24.052 -1.196 320 H LEU 49 H LEU 49 7.023 24.982 0.231 321 HA LEU 49 HA LEU 49 7.572 27.686 1.083 322 HB2 LEU 49 HB2 LEU 49 5.196 27.636 1.554 323 HB3 LEU 49 HB3 LEU 49 5.350 26.087 2.375 324 HG LEU 49 HG LEU 49 6.666 27.102 4.152 325 HD11 LEU 49 HD11 LEU 49 7.981 28.768 3.111 326 HD12 LEU 49 HD12 LEU 49 6.842 29.697 4.075 327 HD13 LEU 49 HD13 LEU 49 6.584 29.517 2.340 328 HD21 LEU 49 HD21 LEU 49 4.139 27.255 4.146 329 HD22 LEU 49 HD22 LEU 49 4.311 28.907 3.552 330 HD23 LEU 49 HD23 LEU 49 4.949 28.469 5.137 331 H ASN 50 H ASN 50 7.369 24.248 1.784 332 HA ASN 50 HA ASN 50 9.184 24.415 4.055 333 HB2 ASN 50 HB2 ASN 50 8.259 21.943 2.583 334 HB3 ASN 50 HB3 ASN 50 8.911 22.040 4.218 335 HD21 ASN 50 HD21 ASN 50 7.345 22.089 5.833 336 HD22 ASN 50 HD22 ASN 50 5.746 22.619 5.623 337 H LEU 51 H LEU 51 11.174 22.985 4.031 338 HA LEU 51 HA LEU 51 12.450 22.680 1.416 339 HB2 LEU 51 HB2 LEU 51 14.277 24.114 1.876 340 HB3 LEU 51 HB3 LEU 51 12.825 25.046 2.218 341 HG LEU 51 HG LEU 51 14.719 23.772 4.206 342 HD11 LEU 51 HD11 LEU 51 14.941 26.055 5.008 343 HD12 LEU 51 HD12 LEU 51 13.700 26.605 3.882 344 HD13 LEU 51 HD13 LEU 51 15.249 26.023 3.271 345 HD21 LEU 51 HD21 LEU 51 12.559 23.289 5.113 346 HD22 LEU 51 HD22 LEU 51 11.926 24.863 4.621 347 HD23 LEU 51 HD23 LEU 51 13.106 24.753 5.924 348 H SER 52 H SER 52 11.569 20.848 3.479 349 HA SER 52 HA SER 52 14.075 19.380 3.772 350 HB2 SER 52 HB2 SER 52 14.162 20.391 5.892 351 HB3 SER 52 HB3 SER 52 12.411 20.324 6.094 352 HG SER 52 HG SER 52 13.829 17.938 5.748 353 H GLN 53 H GLN 53 13.331 17.821 2.411 354 HA GLN 53 HA GLN 53 10.800 16.768 2.171 355 HB2 GLN 53 HB2 GLN 53 11.911 14.716 1.307 356 HB3 GLN 53 HB3 GLN 53 12.583 16.197 0.624 357 HG2 GLN 53 HG2 GLN 53 14.403 16.118 2.321 358 HG3 GLN 53 HG3 GLN 53 13.753 14.591 2.916 359 HE21 GLN 53 HE21 GLN 53 15.049 12.924 2.138 360 HE22 GLN 53 HE22 GLN 53 15.645 12.817 0.553 361 H SER 54 H SER 54 13.041 16.326 4.762 362 HA SER 54 HA SER 54 11.874 13.879 5.756 363 HB2 SER 54 HB2 SER 54 13.772 15.844 7.064 364 HB3 SER 54 HB3 SER 54 13.367 14.243 7.682 365 HG SER 54 HG SER 54 15.168 13.915 6.517 366 H ASN 55 H ASN 55 11.625 17.322 6.488 367 HA ASN 55 HA ASN 55 10.122 17.020 8.881 368 HB2 ASN 55 HB2 ASN 55 10.475 19.332 6.972 369 HB3 ASN 55 HB3 ASN 55 9.515 19.451 8.444 370 HD21 ASN 55 HD21 ASN 55 11.163 17.800 10.145 371 HD22 ASN 55 HD22 ASN 55 12.632 18.613 10.389 372 H VAL 56 H VAL 56 9.170 17.529 5.497 373 HA VAL 56 HA VAL 56 6.380 17.777 6.093 374 HB VAL 56 HB VAL 56 6.137 17.402 3.595 375 HG11 VAL 56 HG11 VAL 56 7.211 19.569 3.038 376 HG12 VAL 56 HG12 VAL 56 8.100 19.506 4.562 377 HG13 VAL 56 HG13 VAL 56 6.341 19.650 4.571 378 HG21 VAL 56 HG21 VAL 56 9.164 17.494 3.685 379 HG22 VAL 56 HG22 VAL 56 8.147 17.308 2.257 380 HG23 VAL 56 HG23 VAL 56 8.241 16.010 3.447 381 H SER 57 H SER 57 8.525 15.103 5.355 382 HA SER 57 HA SER 57 6.629 13.149 4.667 383 HB2 SER 57 HB2 SER 57 9.276 12.893 6.114 384 HB3 SER 57 HB3 SER 57 8.341 11.524 5.514 385 HG SER 57 HG SER 57 9.037 13.688 3.846 386 H HIS 58 H HIS 58 8.238 13.467 7.835 387 HA HIS 58 HA HIS 58 6.679 11.784 9.323 388 HB2 HIS 58 HB2 HIS 58 7.559 14.471 10.380 389 HB3 HIS 58 HB3 HIS 58 7.414 12.947 11.257 390 HD1 HIS 58 HD1 HIS 58 8.803 11.499 8.582 391 HD2 HIS 58 HD2 HIS 58 10.398 14.399 11.117 392 HE1 HIS 58 HE1 HIS 58 11.320 11.332 8.365 393 HE2 HIS 58 HE2 HIS 58 12.308 13.096 9.900 394 H GLN 59 H GLN 59 5.897 15.062 8.295 395 HA GLN 59 HA GLN 59 3.613 15.411 9.934 396 HB2 GLN 59 HB2 GLN 59 4.837 17.237 8.716 397 HB3 GLN 59 HB3 GLN 59 4.119 16.647 7.218 398 HG2 GLN 59 HG2 GLN 59 1.899 17.122 7.994 399 HG3 GLN 59 HG3 GLN 59 2.469 17.431 9.633 400 HE21 GLN 59 HE21 GLN 59 1.310 19.097 7.083 401 HE22 GLN 59 HE22 GLN 59 2.207 20.532 7.215 402 H LEU 60 H LEU 60 3.732 14.784 6.415 403 HA LEU 60 HA LEU 60 1.062 14.250 5.996 404 HB2 LEU 60 HB2 LEU 60 3.409 12.839 4.706 405 HB3 LEU 60 HB3 LEU 60 1.774 12.905 4.058 406 HG LEU 60 HG LEU 60 3.300 15.438 4.688 407 HD11 LEU 60 HD11 LEU 60 3.416 13.777 2.160 408 HD12 LEU 60 HD12 LEU 60 4.767 14.261 3.186 409 HD13 LEU 60 HD13 LEU 60 3.903 15.471 2.239 410 HD21 LEU 60 HD21 LEU 60 0.954 15.788 4.252 411 HD22 LEU 60 HD22 LEU 60 0.999 14.729 2.842 412 HD23 LEU 60 HD23 LEU 60 1.831 16.279 2.808 413 H LYS 61 H LYS 61 3.411 12.291 7.627 414 HA LYS 61 HA LYS 61 2.028 9.800 7.437 415 HB2 LYS 61 HB2 LYS 61 4.476 10.155 8.053 416 HB3 LYS 61 HB3 LYS 61 3.907 10.631 9.652 417 HG2 LYS 61 HG2 LYS 61 2.808 8.468 9.944 418 HG3 LYS 61 HG3 LYS 61 3.257 7.991 8.305 419 HD2 LYS 61 HD2 LYS 61 5.677 8.326 8.980 420 HD3 LYS 61 HD3 LYS 61 5.114 8.517 10.640 421 HE2 LYS 61 HE2 LYS 61 4.009 6.273 10.461 422 HE3 LYS 61 HE3 LYS 61 4.748 6.082 8.871 423 HZ1 LYS 61 HZ1 LYS 61 5.984 6.045 11.517 424 HZ2 LYS 61 HZ2 LYS 61 6.885 6.722 10.247 425 HZ3 LYS 61 HZ3 LYS 61 6.340 5.118 10.140 426 H LEU 62 H LEU 62 1.995 12.473 9.744 427 HA LEU 62 HA LEU 62 0.462 11.235 11.758 428 HB2 LEU 62 HB2 LEU 62 1.643 13.310 12.181 429 HB3 LEU 62 HB3 LEU 62 0.700 14.145 10.951 430 HG LEU 62 HG LEU 62 -1.334 13.888 12.267 431 HD11 LEU 62 HD11 LEU 62 -1.154 11.797 13.344 432 HD12 LEU 62 HD12 LEU 62 -0.991 12.941 14.671 433 HD13 LEU 62 HD13 LEU 62 0.442 12.165 13.999 434 HD21 LEU 62 HD21 LEU 62 -0.611 15.168 14.320 435 HD22 LEU 62 HD22 LEU 62 -0.017 15.832 12.798 436 HD23 LEU 62 HD23 LEU 62 1.060 14.889 13.829 437 H LEU 63 H LEU 63 -0.410 12.803 8.742 438 HA LEU 63 HA LEU 63 -3.221 12.952 9.299 439 HB2 LEU 63 HB2 LEU 63 -1.559 13.211 6.794 440 HB3 LEU 63 HB3 LEU 63 -3.320 13.246 6.737 441 HG LEU 63 HG LEU 63 -3.305 15.115 8.383 442 HD11 LEU 63 HD11 LEU 63 -0.323 14.741 8.086 443 HD12 LEU 63 HD12 LEU 63 -1.274 14.870 9.567 444 HD13 LEU 63 HD13 LEU 63 -1.005 16.295 8.568 445 HD21 LEU 63 HD21 LEU 63 -2.417 16.818 6.781 446 HD22 LEU 63 HD22 LEU 63 -3.442 15.613 6.000 447 HD23 LEU 63 HD23 LEU 63 -1.687 15.511 5.848 448 H LYS 64 H LYS 64 -1.057 10.515 8.121 449 HA LYS 64 HA LYS 64 -2.874 8.883 6.716 450 HB2 LYS 64 HB2 LYS 64 -0.326 8.698 6.808 451 HB3 LYS 64 HB3 LYS 64 -0.545 7.859 8.343 452 HG2 LYS 64 HG2 LYS 64 -2.153 6.305 7.105 453 HG3 LYS 64 HG3 LYS 64 -1.549 7.025 5.614 454 HD2 LYS 64 HD2 LYS 64 0.192 5.707 7.720 455 HD3 LYS 64 HD3 LYS 64 -0.338 4.928 6.228 456 HE2 LYS 64 HE2 LYS 64 0.723 6.958 5.020 457 HE3 LYS 64 HE3 LYS 64 1.527 7.280 6.556 458 HZ1 LYS 64 HZ1 LYS 64 2.491 5.095 6.508 459 HZ2 LYS 64 HZ2 LYS 64 2.860 5.896 5.057 460 HZ3 LYS 64 HZ3 LYS 64 1.651 4.704 5.086 461 H SER 65 H SER 65 -2.148 9.196 10.146 462 HA SER 65 HA SER 65 -3.566 6.869 10.989 463 HB2 SER 65 HB2 SER 65 -1.987 7.754 12.525 464 HB3 SER 65 HB3 SER 65 -2.664 9.378 12.405 465 HG SER 65 HG SER 65 -3.958 8.854 13.951 466 H VAL 66 H VAL 66 -4.472 10.177 10.299 467 HA VAL 66 HA VAL 66 -7.091 9.965 11.493 468 HB VAL 66 HB VAL 66 -6.224 12.035 9.477 469 HG11 VAL 66 HG11 VAL 66 -8.554 12.166 10.172 470 HG12 VAL 66 HG12 VAL 66 -7.663 13.479 10.937 471 HG13 VAL 66 HG13 VAL 66 -8.091 12.046 11.870 472 HG21 VAL 66 HG21 VAL 66 -4.401 11.930 11.049 473 HG22 VAL 66 HG22 VAL 66 -5.512 11.825 12.413 474 HG23 VAL 66 HG23 VAL 66 -5.391 13.321 11.489 475 H HIS 67 H HIS 67 -5.820 8.472 8.927 476 HA HIS 67 HA HIS 67 -6.722 7.311 7.178 477 HB2 HIS 67 HB2 HIS 67 -9.464 8.256 7.988 478 HB3 HIS 67 HB3 HIS 67 -8.995 6.734 7.236 479 HD1 HIS 67 HD1 HIS 67 -10.121 7.847 10.348 480 HD2 HIS 67 HD2 HIS 67 -6.910 5.437 9.229 481 HE1 HIS 67 HE1 HIS 67 -9.481 6.511 12.400 482 HE2 HIS 67 HE2 HIS 67 -7.524 5.036 11.737 483 H LEU 68 H LEU 68 -6.468 10.481 7.290 484 HA LEU 68 HA LEU 68 -8.169 11.301 5.120 485 HB2 LEU 68 HB2 LEU 68 -5.747 12.611 6.376 486 HB3 LEU 68 HB3 LEU 68 -6.775 13.377 5.174 487 HG LEU 68 HG LEU 68 -7.834 12.276 7.792 488 HD11 LEU 68 HD11 LEU 68 -6.988 15.113 7.134 489 HD12 LEU 68 HD12 LEU 68 -6.150 14.023 8.237 490 HD13 LEU 68 HD13 LEU 68 -7.771 14.597 8.627 491 HD21 LEU 68 HD21 LEU 68 -9.668 12.573 6.355 492 HD22 LEU 68 HD22 LEU 68 -8.969 13.997 5.587 493 HD23 LEU 68 HD23 LEU 68 -9.616 14.100 7.222 494 H VAL 69 H VAL 69 -5.080 12.501 4.579 495 HA VAL 69 HA VAL 69 -4.869 11.759 1.952 496 HB VAL 69 HB VAL 69 -2.533 12.331 2.073 497 HG11 VAL 69 HG11 VAL 69 -4.320 14.097 2.540 498 HG12 VAL 69 HG12 VAL 69 -2.691 14.488 3.091 499 HG13 VAL 69 HG13 VAL 69 -3.903 13.930 4.246 500 HG21 VAL 69 HG21 VAL 69 -2.872 11.717 5.016 501 HG22 VAL 69 HG22 VAL 69 -1.514 12.662 4.405 502 HG23 VAL 69 HG23 VAL 69 -1.735 10.993 3.880 503 H LYS 70 H LYS 70 -3.295 10.281 0.908 504 HA LYS 70 HA LYS 70 -2.595 7.853 2.370 505 HB2 LYS 70 HB2 LYS 70 -5.002 7.650 1.490 506 HB3 LYS 70 HB3 LYS 70 -4.293 7.655 -0.119 507 HG2 LYS 70 HG2 LYS 70 -4.393 5.364 0.331 508 HG3 LYS 70 HG3 LYS 70 -2.750 5.746 0.829 509 HD2 LYS 70 HD2 LYS 70 -3.414 5.823 3.162 510 HD3 LYS 70 HD3 LYS 70 -5.118 5.683 2.729 511 HE2 LYS 70 HE2 LYS 70 -4.148 3.518 3.482 512 HE3 LYS 70 HE3 LYS 70 -4.736 3.448 1.821 513 HZ1 LYS 70 HZ1 LYS 70 -1.916 3.966 2.588 514 HZ2 LYS 70 HZ2 LYS 70 -2.517 3.753 1.014 515 HZ3 LYS 70 HZ3 LYS 70 -2.519 2.453 2.107 516 H ALA 71 H ALA 71 -0.889 6.779 1.459 517 HA ALA 71 HA ALA 71 0.442 8.121 -0.816 518 HB1 ALA 71 HB1 ALA 71 1.641 6.116 1.094 519 HB2 ALA 71 HB2 ALA 71 1.583 7.843 1.446 520 HB3 ALA 71 HB3 ALA 71 2.479 7.258 0.044 521 H LYS 72 H LYS 72 1.045 7.046 -2.620 522 HA LYS 72 HA LYS 72 -0.000 4.300 -3.006 523 HB2 LYS 72 HB2 LYS 72 0.704 6.527 -4.925 524 HB3 LYS 72 HB3 LYS 72 0.385 4.874 -5.451 525 HG2 LYS 72 HG2 LYS 72 -1.835 4.991 -4.291 526 HG3 LYS 72 HG3 LYS 72 -1.515 6.689 -3.935 527 HD2 LYS 72 HD2 LYS 72 -1.418 7.228 -6.293 528 HD3 LYS 72 HD3 LYS 72 -1.513 5.523 -6.732 529 HE2 LYS 72 HE2 LYS 72 -3.763 5.385 -5.730 530 HE3 LYS 72 HE3 LYS 72 -3.670 7.087 -5.282 531 HZ1 LYS 72 HZ1 LYS 72 -4.100 7.737 -7.362 532 HZ2 LYS 72 HZ2 LYS 72 -4.683 6.158 -7.594 533 HZ3 LYS 72 HZ3 LYS 72 -3.097 6.556 -8.058 534 H ARG 73 H ARG 73 1.376 2.652 -3.217 535 HA ARG 73 HA ARG 73 4.231 3.131 -3.035 536 HB2 ARG 73 HB2 ARG 73 2.551 0.621 -3.127 537 HB3 ARG 73 HB3 ARG 73 4.312 0.601 -3.043 538 HG2 ARG 73 HG2 ARG 73 4.189 1.987 -0.970 539 HG3 ARG 73 HG3 ARG 73 2.430 1.877 -1.036 540 HD2 ARG 73 HD2 ARG 73 3.380 0.181 0.491 541 HD3 ARG 73 HD3 ARG 73 2.559 -0.569 -0.874 542 HE ARG 73 HE ARG 73 5.300 -0.240 -1.499 543 HH11 ARG 73 HH21 ARG 73 3.165 -2.027 0.557 544 HH12 ARG 73 HH22 ARG 73 4.182 -3.428 0.626 545 HH21 ARG 73 HH11 ARG 73 6.640 -2.073 -1.410 546 HH22 ARG 73 HH12 ARG 73 6.148 -3.454 -0.487 547 H GLN 74 H GLN 74 5.385 3.575 -4.792 548 HA GLN 74 HA GLN 74 4.787 2.159 -7.340 549 HB2 GLN 74 HB2 GLN 74 5.748 4.993 -6.889 550 HB3 GLN 74 HB3 GLN 74 5.737 4.187 -8.459 551 HG2 GLN 74 HG2 GLN 74 3.303 3.842 -8.271 552 HG3 GLN 74 HG3 GLN 74 3.309 4.631 -6.695 553 HE21 GLN 74 HE21 GLN 74 2.460 5.281 -9.782 554 HE22 GLN 74 HE22 GLN 74 2.829 6.936 -9.861 555 H GLY 75 H GLY 75 6.438 1.102 -8.260 556 HA2 GLY 75 HA2 GLY 75 8.796 0.549 -6.820 557 HA3 GLY 75 HA3 GLY 75 8.511 0.139 -8.508 558 H GLN 76 H GLN 76 9.324 2.896 -6.423 559 HA GLN 76 HA GLN 76 11.683 3.615 -7.623 560 HB2 GLN 76 HB2 GLN 76 10.980 5.695 -8.887 561 HB3 GLN 76 HB3 GLN 76 10.660 4.172 -9.700 562 HG2 GLN 76 HG2 GLN 76 8.293 4.355 -8.588 563 HG3 GLN 76 HG3 GLN 76 8.721 6.047 -8.350 564 HE21 GLN 76 HE21 GLN 76 7.728 7.239 -9.973 565 HE22 GLN 76 HE22 GLN 76 7.675 6.793 -11.610 566 H SER 77 H SER 77 8.725 5.340 -6.695 567 HA SER 77 HA SER 77 9.968 6.267 -4.217 568 HB2 SER 77 HB2 SER 77 10.588 7.889 -6.098 569 HB3 SER 77 HB3 SER 77 8.877 8.311 -6.150 570 HG SER 77 HG SER 77 9.007 8.893 -3.973 571 H MET 78 H MET 78 8.329 7.924 -3.177 572 HA MET 78 HA MET 78 5.612 6.725 -3.347 573 HB2 MET 78 HB2 MET 78 5.438 7.552 -0.956 574 HB3 MET 78 HB3 MET 78 6.558 6.215 -1.215 575 HG2 MET 78 HG2 MET 78 8.450 7.748 -1.243 576 HG3 MET 78 HG3 MET 78 7.368 9.136 -1.141 577 HE1 MET 78 HE1 MET 78 9.215 9.132 2.189 578 HE2 MET 78 HE2 MET 78 9.386 9.393 0.454 579 HE3 MET 78 HE3 MET 78 9.902 7.867 1.169 580 H ILE 79 H ILE 79 3.857 8.078 -3.380 581 HA ILE 79 HA ILE 79 4.293 11.002 -3.358 582 HB ILE 79 HB ILE 79 2.763 11.146 -5.358 583 HG12 ILE 79 HG12 ILE 79 3.486 8.217 -5.656 584 HG13 ILE 79 HG13 ILE 79 1.906 8.796 -5.131 585 HG21 ILE 79 HG21 ILE 79 4.565 10.657 -6.973 586 HG22 ILE 79 HG22 ILE 79 5.413 9.720 -5.743 587 HG23 ILE 79 HG23 ILE 79 5.205 11.459 -5.538 588 HD11 ILE 79 HD11 ILE 79 3.252 9.381 -7.784 589 HD12 ILE 79 HD12 ILE 79 1.737 10.111 -7.253 590 HD13 ILE 79 HD13 ILE 79 1.829 8.372 -7.528 591 H TYR 80 H TYR 80 2.273 12.197 -3.155 592 HA TYR 80 HA TYR 80 0.126 10.668 -1.773 593 HB2 TYR 80 HB2 TYR 80 1.286 13.386 -1.120 594 HB3 TYR 80 HB3 TYR 80 -0.180 12.730 -0.393 595 HD1 TYR 80 HD1 TYR 80 3.472 12.147 -0.833 596 HD2 TYR 80 HD2 TYR 80 -0.077 11.111 1.356 597 HE1 TYR 80 HE1 TYR 80 4.846 10.882 0.798 598 HE2 TYR 80 HE2 TYR 80 1.298 9.849 2.989 599 HH TYR 80 HH TYR 80 3.585 8.681 2.946 600 H SER 81 H SER 81 -1.991 11.577 -1.936 601 HA SER 81 HA SER 81 -2.493 13.741 -3.794 602 HB2 SER 81 HB2 SER 81 -2.116 11.864 -5.343 603 HB3 SER 81 HB3 SER 81 -3.343 10.920 -4.501 604 HG SER 81 HG SER 81 -4.821 11.976 -5.534 605 H LEU 82 H LEU 82 -5.125 13.252 -4.376 606 HA LEU 82 HA LEU 82 -6.365 13.768 -1.821 607 HB2 LEU 82 HB2 LEU 82 -7.774 13.412 -4.467 608 HB3 LEU 82 HB3 LEU 82 -8.303 14.346 -3.068 609 HG LEU 82 HG LEU 82 -5.888 14.961 -4.797 610 HD11 LEU 82 HD11 LEU 82 -7.173 16.855 -5.585 611 HD12 LEU 82 HD12 LEU 82 -8.482 16.490 -4.462 612 HD13 LEU 82 HD13 LEU 82 -8.149 15.404 -5.812 613 HD21 LEU 82 HD21 LEU 82 -7.014 16.215 -2.288 614 HD22 LEU 82 HD22 LEU 82 -6.026 17.144 -3.412 615 HD23 LEU 82 HD23 LEU 82 -5.353 15.723 -2.619 616 H ASP 83 H ASP 83 -8.351 12.661 -1.139 617 HA ASP 83 HA ASP 83 -7.973 9.794 -1.152 618 HB2 ASP 83 HB2 ASP 83 -9.963 11.637 0.173 619 HB3 ASP 83 HB3 ASP 83 -10.071 9.882 0.303 620 H ASP 84 H ASP 84 -10.828 11.834 -1.867 621 HA ASP 84 HA ASP 84 -11.381 10.453 -4.318 622 HB2 ASP 84 HB2 ASP 84 -12.104 8.851 -2.430 623 HB3 ASP 84 HB3 ASP 84 -13.397 10.006 -2.116 624 H ILE 85 H ILE 85 -14.106 10.946 -4.515 625 HA ILE 85 HA ILE 85 -14.096 13.798 -4.889 626 HB ILE 85 HB ILE 85 -16.394 13.422 -5.767 627 HG12 ILE 85 HG12 ILE 85 -15.824 10.541 -5.001 628 HG13 ILE 85 HG13 ILE 85 -17.015 11.586 -4.226 629 HG21 ILE 85 HG21 ILE 85 -14.336 13.109 -7.169 630 HG22 ILE 85 HG22 ILE 85 -15.695 12.117 -7.697 631 HG23 ILE 85 HG23 ILE 85 -14.380 11.391 -6.773 632 HD11 ILE 85 HD11 ILE 85 -17.026 10.567 -7.075 633 HD12 ILE 85 HD12 ILE 85 -18.073 11.876 -6.528 634 HD13 ILE 85 HD13 ILE 85 -18.225 10.269 -5.817 635 H HIS 86 H HIS 86 -13.976 12.717 -2.108 636 HA HIS 86 HA HIS 86 -16.448 13.907 -0.965 637 HB2 HIS 86 HB2 HIS 86 -14.479 11.968 0.271 638 HB3 HIS 86 HB3 HIS 86 -15.933 12.603 1.043 639 HD1 HIS 86 HD1 HIS 86 -17.672 10.820 1.012 640 HD2 HIS 86 HD2 HIS 86 -15.515 10.906 -2.554 641 HE1 HIS 86 HE1 HIS 86 -18.717 9.078 -0.498 642 HE2 HIS 86 HE2 HIS 86 -17.413 9.115 -2.676 643 H VAL 87 H VAL 87 -12.924 13.845 -0.840 644 HA VAL 87 HA VAL 87 -12.818 15.910 1.219 645 HB VAL 87 HB VAL 87 -11.159 14.068 1.175 646 HG11 VAL 87 HG11 VAL 87 -10.118 15.404 -1.337 647 HG12 VAL 87 HG12 VAL 87 -11.113 13.948 -1.359 648 HG13 VAL 87 HG13 VAL 87 -9.527 13.921 -0.590 649 HG21 VAL 87 HG21 VAL 87 -9.238 15.461 1.591 650 HG22 VAL 87 HG22 VAL 87 -10.659 16.379 2.090 651 HG23 VAL 87 HG23 VAL 87 -9.871 16.739 0.554 652 H ALA 88 H ALA 88 -12.308 15.578 -2.258 653 HA ALA 88 HA ALA 88 -11.120 18.094 -2.715 654 HB1 ALA 88 HB1 ALA 88 -12.885 16.507 -4.594 655 HB2 ALA 88 HB2 ALA 88 -11.158 16.235 -4.364 656 HB3 ALA 88 HB3 ALA 88 -11.727 17.757 -5.048 657 H THR 89 H THR 89 -14.502 17.074 -2.570 658 HA THR 89 HA THR 89 -15.530 19.629 -3.398 659 HB THR 89 HB THR 89 -17.692 18.700 -2.988 660 HG1 THR 89 HG1 THR 89 -17.179 16.354 -1.920 661 HG21 THR 89 HG21 THR 89 -16.365 17.709 -4.876 662 HG22 THR 89 HG22 THR 89 -17.585 16.614 -4.228 663 HG23 THR 89 HG23 THR 89 -15.889 16.400 -3.795 664 H MET 90 H MET 90 -14.835 18.046 -0.338 665 HA MET 90 HA MET 90 -16.242 19.885 1.316 666 HB2 MET 90 HB2 MET 90 -15.543 17.618 2.051 667 HB3 MET 90 HB3 MET 90 -13.861 18.151 2.020 668 HG2 MET 90 HG2 MET 90 -14.256 19.771 3.749 669 HG3 MET 90 HG3 MET 90 -16.003 19.550 3.642 670 HE1 MET 90 HE1 MET 90 -12.874 17.001 5.738 671 HE2 MET 90 HE2 MET 90 -12.818 18.703 5.282 672 HE3 MET 90 HE3 MET 90 -12.692 17.457 4.042 673 H LEU 91 H LEU 91 -12.959 19.783 0.035 674 HA LEU 91 HA LEU 91 -11.879 21.840 1.641 675 HB2 LEU 91 HB2 LEU 91 -10.509 20.263 0.314 676 HB3 LEU 91 HB3 LEU 91 -11.103 21.005 -1.166 677 HG LEU 91 HG LEU 91 -10.114 23.177 -0.435 678 HD11 LEU 91 HD11 LEU 91 -9.968 23.136 1.901 679 HD12 LEU 91 HD12 LEU 91 -8.300 22.837 1.440 680 HD13 LEU 91 HD13 LEU 91 -9.327 21.495 1.939 681 HD21 LEU 91 HD21 LEU 91 -8.247 20.795 -0.560 682 HD22 LEU 91 HD22 LEU 91 -7.751 22.471 -0.792 683 HD23 LEU 91 HD23 LEU 91 -8.867 21.715 -1.930 684 H LYS 92 H LYS 92 -13.183 21.918 -1.680 685 HA LYS 92 HA LYS 92 -12.958 24.731 -1.977 686 HB2 LYS 92 HB2 LYS 92 -14.769 22.768 -3.405 687 HB3 LYS 92 HB3 LYS 92 -14.435 24.419 -3.929 688 HG2 LYS 92 HG2 LYS 92 -12.071 23.904 -4.198 689 HG3 LYS 92 HG3 LYS 92 -12.312 22.290 -3.530 690 HD2 LYS 92 HD2 LYS 92 -13.861 21.777 -5.414 691 HD3 LYS 92 HD3 LYS 92 -13.510 23.363 -6.102 692 HE2 LYS 92 HE2 LYS 92 -12.105 21.635 -7.155 693 HE3 LYS 92 HE3 LYS 92 -11.111 22.763 -6.234 694 HZ1 LYS 92 HZ1 LYS 92 -10.644 20.320 -5.908 695 HZ2 LYS 92 HZ2 LYS 92 -12.121 20.236 -5.073 696 HZ3 LYS 92 HZ3 LYS 92 -10.874 21.233 -4.495 697 H GLN 93 H GLN 93 -15.845 22.696 -1.452 698 HA GLN 93 HA GLN 93 -17.791 24.578 -1.223 699 HB2 GLN 93 HB2 GLN 93 -18.127 22.124 -0.996 700 HB3 GLN 93 HB3 GLN 93 -17.478 22.209 0.639 701 HG2 GLN 93 HG2 GLN 93 -19.806 23.940 -0.208 702 HG3 GLN 93 HG3 GLN 93 -20.053 22.288 0.345 703 HE21 GLN 93 HE21 GLN 93 -18.152 22.102 2.417 704 HE22 GLN 93 HE22 GLN 93 -18.546 23.213 3.638 705 H ALA 94 H ALA 94 -15.193 24.006 1.027 706 HA ALA 94 HA ALA 94 -16.354 25.426 3.229 707 HB1 ALA 94 HB1 ALA 94 -14.541 23.725 3.465 708 HB2 ALA 94 HB2 ALA 94 -14.156 25.263 4.239 709 HB3 ALA 94 HB3 ALA 94 -13.432 24.853 2.684 710 H ILE 95 H ILE 95 -13.501 26.258 1.254 711 HA ILE 95 HA ILE 95 -13.386 28.950 2.014 712 HB ILE 95 HB ILE 95 -12.538 27.859 -0.677 713 HG12 ILE 95 HG12 ILE 95 -11.076 27.798 1.982 714 HG13 ILE 95 HG13 ILE 95 -11.706 26.393 1.123 715 HG21 ILE 95 HG21 ILE 95 -11.352 30.041 1.062 716 HG22 ILE 95 HG22 ILE 95 -12.473 30.348 -0.264 717 HG23 ILE 95 HG23 ILE 95 -10.894 29.635 -0.591 718 HD11 ILE 95 HD11 ILE 95 -9.471 28.242 0.266 719 HD12 ILE 95 HD12 ILE 95 -10.251 27.119 -0.848 720 HD13 ILE 95 HD13 ILE 95 -9.388 26.505 0.562 721 H HIS 96 H HIS 96 -15.382 27.316 -0.328 722 HA HIS 96 HA HIS 96 -16.149 29.441 -1.969 723 HB2 HIS 96 HB2 HIS 96 -16.769 27.064 -2.352 724 HB3 HIS 96 HB3 HIS 96 -17.901 27.167 -1.003 725 HD1 HIS 96 HD1 HIS 96 -17.661 30.265 -2.953 726 HD2 HIS 96 HD2 HIS 96 -19.964 26.793 -3.092 727 HE1 HIS 96 HE1 HIS 96 -19.630 30.774 -4.458 728 HE2 HIS 96 HE2 HIS 96 -21.046 28.669 -4.554 729 H HIS 97 H HIS 97 -17.673 28.292 1.045 730 HA HIS 97 HA HIS 97 -19.740 30.130 1.230 731 HB2 HIS 97 HB2 HIS 97 -19.386 28.202 2.770 732 HB3 HIS 97 HB3 HIS 97 -18.069 29.092 3.534 733 HD1 HIS 97 HD1 HIS 97 -21.810 29.338 2.936 734 HD2 HIS 97 HD2 HIS 97 -18.891 30.994 5.410 735 HE1 HIS 97 HE1 HIS 97 -23.038 30.712 4.671 736 HE2 HIS 97 HE2 HIS 97 -21.274 31.732 6.185 737 H ALA 98 H ALA 98 -16.551 30.424 2.822 738 HA ALA 98 HA ALA 98 -16.756 32.945 3.858 739 HB1 ALA 98 HB1 ALA 98 -14.304 31.852 2.457 740 HB2 ALA 98 HB2 ALA 98 -14.782 31.452 4.107 741 HB3 ALA 98 HB3 ALA 98 -14.333 33.107 3.696 742 H ASN 99 H ASN 99 -15.467 32.215 0.606 743 HA ASN 99 HA ASN 99 -15.436 34.968 -0.173 744 HB2 ASN 99 HB2 ASN 99 -13.920 33.229 -1.120 745 HB3 ASN 99 HB3 ASN 99 -15.310 32.502 -1.923 746 HD21 ASN 99 HD21 ASN 99 -14.894 36.018 -1.543 747 HD22 ASN 99 HD22 ASN 99 -14.682 36.335 -3.196 748 H HIS 100 H HIS 100 -16.656 35.834 -2.007 749 HA HIS 100 HA HIS 100 -19.206 34.590 -2.668 750 HB2 HIS 100 HB2 HIS 100 -19.013 37.131 -1.042 751 HB3 HIS 100 HB3 HIS 100 -20.458 36.662 -1.936 752 HD1 HIS 100 HD1 HIS 100 -21.231 34.030 -1.338 753 HD2 HIS 100 HD2 HIS 100 -19.017 36.109 1.518 754 HE1 HIS 100 HE1 HIS 100 -21.613 32.844 0.865 755 HE2 HIS 100 HE2 HIS 100 -20.271 34.097 2.618 756 HA PRO 101 HA PRO 101 -17.435 37.424 -5.872 757 HB2 PRO 101 HB2 PRO 101 -16.797 35.628 -7.775 758 HB3 PRO 101 HB3 PRO 101 -15.772 35.843 -6.344 759 HG2 PRO 101 HG2 PRO 101 -17.807 33.722 -6.908 760 HG3 PRO 101 HG3 PRO 101 -16.192 33.559 -6.209 761 HD2 PRO 101 HD2 PRO 101 -18.546 33.680 -4.713 762 HD3 PRO 101 HD3 PRO 101 -16.941 34.086 -4.073 763 H LYS 102 H LYS 102 -18.685 38.400 -7.392 764 HA LYS 102 HA LYS 102 -20.756 36.926 -8.838 765 HB2 LYS 102 HB2 LYS 102 -21.408 39.279 -7.043 766 HB3 LYS 102 HB3 LYS 102 -22.527 38.499 -8.160 767 HG2 LYS 102 HG2 LYS 102 -22.043 36.324 -6.911 768 HG3 LYS 102 HG3 LYS 102 -21.245 37.314 -5.689 769 HD2 LYS 102 HD2 LYS 102 -23.363 38.650 -5.482 770 HD3 LYS 102 HD3 LYS 102 -24.140 37.501 -6.572 771 HE2 LYS 102 HE2 LYS 102 -24.630 36.827 -4.296 772 HE3 LYS 102 HE3 LYS 102 -23.496 35.663 -4.980 773 HZ1 LYS 102 HZ1 LYS 102 -22.680 36.210 -2.860 774 HZ2 LYS 102 HZ2 LYS 102 -22.920 37.875 -3.098 775 HZ3 LYS 102 HZ3 LYS 102 -21.699 37.062 -3.952 776 H GLU 103 H GLU 103 -21.156 37.788 -10.812 777 HA GLU 103 HA GLU 103 -20.742 39.042 -12.694 778 HB2 GLU 103 HB2 GLU 103 -22.247 40.551 -11.312 779 HB3 GLU 103 HB3 GLU 103 -20.791 41.386 -10.780 780 HG2 GLU 103 HG2 GLU 103 -21.467 41.010 -13.707 781 HG3 GLU 103 HG3 GLU 103 -22.001 42.409 -12.781 782 H ASN 9 H ASN 9 -5.931 39.025 -1.237 783 HA ASN 9 HA ASN 9 -5.924 36.671 -0.929 784 HB2 ASN 9 HB2 ASN 9 -3.085 37.723 -1.107 785 HB3 ASN 9 HB3 ASN 9 -3.669 36.180 -1.727 786 HD21 ASN 9 HD21 ASN 9 -3.682 36.400 -3.979 787 HD22 ASN 9 HD22 ASN 9 -4.365 37.710 -4.814 788 H THR 10 H THR 10 -3.853 38.417 1.333 789 HA THR 10 HA THR 10 -3.252 36.028 2.888 790 HB THR 10 HB THR 10 -2.043 37.609 4.355 791 HG1 THR 10 HG1 THR 10 -2.356 39.681 4.176 792 HG21 THR 10 HG21 THR 10 -1.018 36.655 2.261 793 HG22 THR 10 HG22 THR 10 -0.325 38.201 2.753 794 HG23 THR 10 HG23 THR 10 -1.481 38.137 1.424 795 H ASP 11 H ASP 11 -5.544 38.640 2.875 796 HA ASP 11 HA ASP 11 -6.344 38.508 5.600 797 HB2 ASP 11 HB2 ASP 11 -6.852 40.354 3.900 798 HB3 ASP 11 HB3 ASP 11 -8.124 39.296 3.292 799 H THR 12 H THR 12 -7.303 36.781 2.686 800 HA THR 12 HA THR 12 -9.552 35.471 3.904 801 HB THR 12 HB THR 12 -9.724 34.251 1.846 802 HG1 THR 12 HG1 THR 12 -7.601 35.093 0.508 803 HG21 THR 12 HG21 THR 12 -10.263 36.685 1.771 804 HG22 THR 12 HG22 THR 12 -9.708 36.071 0.214 805 HG23 THR 12 HG23 THR 12 -8.615 37.007 1.233 806 H LEU 13 H LEU 13 -6.232 34.489 3.063 807 HA LEU 13 HA LEU 13 -6.365 31.822 3.784 808 HB2 LEU 13 HB2 LEU 13 -4.408 33.099 2.735 809 HB3 LEU 13 HB3 LEU 13 -3.978 33.574 4.373 810 HG LEU 13 HG LEU 13 -3.934 31.135 4.996 811 HD11 LEU 13 HD11 LEU 13 -4.560 30.870 2.069 812 HD12 LEU 13 HD12 LEU 13 -5.119 29.903 3.433 813 HD13 LEU 13 HD13 LEU 13 -3.496 29.676 2.806 814 HD21 LEU 13 HD21 LEU 13 -2.076 32.248 2.890 815 HD22 LEU 13 HD22 LEU 13 -1.756 30.728 3.725 816 HD23 LEU 13 HD23 LEU 13 -1.851 32.233 4.639 817 H GLU 14 H GLU 14 -6.652 34.572 5.762 818 HA GLU 14 HA GLU 14 -5.895 33.238 8.247 819 HB2 GLU 14 HB2 GLU 14 -7.028 35.961 7.595 820 HB3 GLU 14 HB3 GLU 14 -6.818 35.392 9.251 821 HG2 GLU 14 HG2 GLU 14 -4.412 35.001 8.793 822 HG3 GLU 14 HG3 GLU 14 -4.633 35.625 7.160 823 H ARG 15 H ARG 15 -8.838 34.427 6.657 824 HA ARG 15 HA ARG 15 -10.664 33.758 8.671 825 HB2 ARG 15 HB2 ARG 15 -11.078 33.841 5.672 826 HB3 ARG 15 HB3 ARG 15 -12.366 33.828 6.877 827 HG2 ARG 15 HG2 ARG 15 -11.450 35.923 7.849 828 HG3 ARG 15 HG3 ARG 15 -10.217 35.949 6.588 829 HD2 ARG 15 HD2 ARG 15 -12.115 35.898 4.896 830 HD3 ARG 15 HD3 ARG 15 -13.214 36.185 6.243 831 HE ARG 15 HE ARG 15 -11.144 38.120 6.283 832 HH11 ARG 15 HH21 ARG 15 -13.930 37.131 4.483 833 HH12 ARG 15 HH22 ARG 15 -14.315 38.728 3.936 834 HH21 ARG 15 HH11 ARG 15 -11.644 40.217 5.571 835 HH22 ARG 15 HH12 ARG 15 -13.020 40.476 4.551 836 H VAL 16 H VAL 16 -9.696 31.873 5.799 837 HA VAL 16 HA VAL 16 -11.348 29.707 6.032 838 HB VAL 16 HB VAL 16 -9.433 28.362 5.054 839 HG11 VAL 16 HG11 VAL 16 -10.098 31.067 3.850 840 HG12 VAL 16 HG12 VAL 16 -11.012 29.574 3.628 841 HG13 VAL 16 HG13 VAL 16 -9.384 29.719 2.964 842 HG21 VAL 16 HG21 VAL 16 -8.035 31.044 5.271 843 HG22 VAL 16 HG22 VAL 16 -7.401 29.610 4.465 844 HG23 VAL 16 HG23 VAL 16 -7.626 29.610 6.214 845 H THR 17 H THR 17 -8.859 30.640 8.217 846 HA THR 17 HA THR 17 -8.697 28.002 9.492 847 HB THR 17 HB THR 17 -6.910 28.880 10.744 848 HG1 THR 17 HG1 THR 17 -6.579 31.136 10.889 849 HG21 THR 17 HG21 THR 17 -6.748 30.515 8.206 850 HG22 THR 17 HG22 THR 17 -6.583 28.759 8.201 851 HG23 THR 17 HG23 THR 17 -5.429 29.751 9.093 852 H GLU 18 H GLU 18 -9.919 31.260 10.131 853 HA GLU 18 HA GLU 18 -10.647 30.802 12.825 854 HB2 GLU 18 HB2 GLU 18 -10.352 33.054 11.932 855 HB3 GLU 18 HB3 GLU 18 -11.713 32.819 10.834 856 HG2 GLU 18 HG2 GLU 18 -13.275 32.714 12.632 857 HG3 GLU 18 HG3 GLU 18 -11.996 32.527 13.830 858 H ILE 19 H ILE 19 -12.210 29.960 9.844 859 HA ILE 19 HA ILE 19 -14.870 29.826 10.898 860 HB ILE 19 HB ILE 19 -15.314 28.452 8.824 861 HG12 ILE 19 HG12 ILE 19 -12.466 29.187 8.126 862 HG13 ILE 19 HG13 ILE 19 -12.902 27.599 8.758 863 HG21 ILE 19 HG21 ILE 19 -15.571 30.907 8.875 864 HG22 ILE 19 HG22 ILE 19 -14.968 30.369 7.307 865 HG23 ILE 19 HG23 ILE 19 -13.864 31.094 8.474 866 HD11 ILE 19 HD11 ILE 19 -14.083 28.874 6.270 867 HD12 ILE 19 HD12 ILE 19 -14.462 27.266 6.888 868 HD13 ILE 19 HD13 ILE 19 -12.846 27.618 6.275 869 H PHE 20 H PHE 20 -12.153 27.625 10.784 870 HA PHE 20 HA PHE 20 -13.694 25.277 11.408 871 HB2 PHE 20 HB2 PHE 20 -10.734 25.888 11.443 872 HB3 PHE 20 HB3 PHE 20 -11.385 24.323 11.925 873 HD1 PHE 20 HD1 PHE 20 -13.183 23.311 10.235 874 HD2 PHE 20 HD2 PHE 20 -10.145 26.160 9.185 875 HE1 PHE 20 HE1 PHE 20 -13.355 22.618 7.860 876 HE2 PHE 20 HE2 PHE 20 -10.318 25.468 6.810 877 HZ PHE 20 HZ PHE 20 -11.924 23.698 6.148 878 H LYS 21 H LYS 21 -11.213 27.025 13.298 879 HA LYS 21 HA LYS 21 -11.618 25.788 15.729 880 HB2 LYS 21 HB2 LYS 21 -10.947 28.700 15.241 881 HB3 LYS 21 HB3 LYS 21 -10.714 27.840 16.763 882 HG2 LYS 21 HG2 LYS 21 -9.312 26.162 15.382 883 HG3 LYS 21 HG3 LYS 21 -9.311 27.395 14.123 884 HD2 LYS 21 HD2 LYS 21 -8.312 27.744 16.966 885 HD3 LYS 21 HD3 LYS 21 -7.307 27.615 15.523 886 HE2 LYS 21 HE2 LYS 21 -9.191 29.849 16.293 887 HE3 LYS 21 HE3 LYS 21 -7.463 29.947 15.950 888 HZ1 LYS 21 HZ1 LYS 21 -9.686 29.496 14.053 889 HZ2 LYS 21 HZ2 LYS 21 -8.077 29.131 13.651 890 HZ3 LYS 21 HZ3 LYS 21 -8.516 30.727 14.033 891 H ALA 22 H ALA 22 -13.660 28.056 14.104 892 HA ALA 22 HA ALA 22 -15.069 29.230 16.176 893 HB1 ALA 22 HB1 ALA 22 -15.355 29.773 13.769 894 HB2 ALA 22 HB2 ALA 22 -16.894 29.518 14.590 895 HB3 ALA 22 HB3 ALA 22 -16.228 28.257 13.553 896 H LEU 23 H LEU 23 -15.304 25.955 14.941 897 HA LEU 23 HA LEU 23 -17.431 25.355 16.930 898 HB2 LEU 23 HB2 LEU 23 -17.949 23.407 15.364 899 HB3 LEU 23 HB3 LEU 23 -18.435 25.012 14.844 900 HG LEU 23 HG LEU 23 -16.264 25.129 13.513 901 HD11 LEU 23 HD11 LEU 23 -15.410 22.778 12.897 902 HD12 LEU 23 HD12 LEU 23 -16.200 22.228 14.371 903 HD13 LEU 23 HD13 LEU 23 -14.903 23.419 14.452 904 HD21 LEU 23 HD21 LEU 23 -18.312 24.758 12.347 905 HD22 LEU 23 HD22 LEU 23 -18.415 23.093 12.915 906 HD23 LEU 23 HD23 LEU 23 -17.180 23.549 11.741 907 H GLY 24 H GLY 24 -14.674 25.362 17.600 908 HA2 GLY 24 HA2 GLY 24 -13.518 22.775 17.441 909 HA3 GLY 24 HA3 GLY 24 -13.074 24.036 18.586 910 H ASP 25 H ASP 25 -14.645 24.349 20.430 911 HA ASP 25 HA ASP 25 -14.817 22.152 22.044 912 HB2 ASP 25 HB2 ASP 25 -16.612 24.580 21.939 913 HB3 ASP 25 HB3 ASP 25 -16.677 23.389 23.237 914 H TYR 26 H TYR 26 -16.234 20.510 22.438 915 HA TYR 26 HA TYR 26 -17.851 19.601 20.306 916 HB2 TYR 26 HB2 TYR 26 -18.649 17.919 22.077 917 HB3 TYR 26 HB3 TYR 26 -16.925 17.942 21.708 918 HD1 TYR 26 HD1 TYR 26 -15.311 18.986 23.260 919 HD2 TYR 26 HD2 TYR 26 -19.491 18.700 24.211 920 HE1 TYR 26 HE1 TYR 26 -14.806 19.492 25.634 921 HE2 TYR 26 HE2 TYR 26 -18.985 19.207 26.585 922 HH TYR 26 HH TYR 26 -15.975 20.407 27.607 923 H ASN 27 H ASN 27 -18.464 21.915 22.681 924 HA ASN 27 HA ASN 27 -21.310 21.412 22.959 925 HB2 ASN 27 HB2 ASN 27 -19.607 23.756 23.836 926 HB3 ASN 27 HB3 ASN 27 -21.285 23.481 24.295 927 HD21 ASN 27 HD21 ASN 27 -18.665 23.463 25.931 928 HD22 ASN 27 HD22 ASN 27 -18.716 21.983 26.761 929 H ARG 28 H ARG 28 -19.239 23.810 21.350 930 HA ARG 28 HA ARG 28 -21.399 25.362 20.328 931 HB2 ARG 28 HB2 ARG 28 -18.447 25.187 19.788 932 HB3 ARG 28 HB3 ARG 28 -19.463 26.151 18.720 933 HG2 ARG 28 HG2 ARG 28 -18.475 27.497 20.552 934 HG3 ARG 28 HG3 ARG 28 -20.235 27.500 20.589 935 HD2 ARG 28 HD2 ARG 28 -18.774 25.437 22.214 936 HD3 ARG 28 HD3 ARG 28 -18.855 27.088 22.810 937 HE ARG 28 HE ARG 28 -21.419 26.037 21.994 938 HH11 ARG 28 HH21 ARG 28 -19.063 26.321 24.512 939 HH12 ARG 28 HH22 ARG 28 -20.209 26.119 25.796 940 HH21 ARG 28 HH11 ARG 28 -22.926 25.761 23.672 941 HH22 ARG 28 HH12 ARG 28 -22.395 25.806 25.321 942 H ILE 29 H ILE 29 -19.697 22.525 19.174 943 HA ILE 29 HA ILE 29 -20.698 22.755 16.476 944 HB ILE 29 HB ILE 29 -18.539 21.625 17.118 945 HG12 ILE 29 HG12 ILE 29 -20.557 19.948 15.597 946 HG13 ILE 29 HG13 ILE 29 -19.653 21.304 14.923 947 HG21 ILE 29 HG21 ILE 29 -18.558 19.454 18.076 948 HG22 ILE 29 HG22 ILE 29 -20.299 19.283 17.857 949 HG23 ILE 29 HG23 ILE 29 -19.670 20.395 19.071 950 HD11 ILE 29 HD11 ILE 29 -17.531 20.081 15.604 951 HD12 ILE 29 HD12 ILE 29 -18.456 19.313 14.313 952 HD13 ILE 29 HD13 ILE 29 -18.546 18.683 15.959 953 H ARG 30 H ARG 30 -21.769 21.240 19.448 954 HA ARG 30 HA ARG 30 -23.563 19.383 18.248 955 HB2 ARG 30 HB2 ARG 30 -22.664 19.227 20.585 956 HB3 ARG 30 HB3 ARG 30 -23.702 20.586 21.021 957 HG2 ARG 30 HG2 ARG 30 -25.691 19.331 20.448 958 HG3 ARG 30 HG3 ARG 30 -24.725 18.015 19.782 959 HD2 ARG 30 HD2 ARG 30 -24.561 18.908 22.672 960 HD3 ARG 30 HD3 ARG 30 -25.601 17.597 22.118 961 HE ARG 30 HE ARG 30 -22.978 17.112 21.205 962 HH11 ARG 30 HH21 ARG 30 -24.838 17.292 24.113 963 HH12 ARG 30 HH22 ARG 30 -23.872 16.137 24.969 964 HH21 ARG 30 HH11 ARG 30 -21.705 15.591 22.317 965 HH22 ARG 30 HH12 ARG 30 -22.100 15.171 23.950 966 H ILE 31 H ILE 31 -23.825 22.743 19.256 967 HA ILE 31 HA ILE 31 -26.696 22.840 19.032 968 HB ILE 31 HB ILE 31 -26.300 25.342 19.081 969 HG12 ILE 31 HG12 ILE 31 -23.435 24.482 19.572 970 HG13 ILE 31 HG13 ILE 31 -24.006 25.169 18.051 971 HG21 ILE 31 HG21 ILE 31 -25.633 25.334 21.437 972 HG22 ILE 31 HG22 ILE 31 -24.962 23.712 21.263 973 HG23 ILE 31 HG23 ILE 31 -26.702 23.968 21.119 974 HD11 ILE 31 HD11 ILE 31 -24.070 26.507 20.773 975 HD12 ILE 31 HD12 ILE 31 -24.795 27.182 19.314 976 HD13 ILE 31 HD13 ILE 31 -23.049 26.952 19.406 977 H MET 32 H MET 32 -23.963 23.310 16.913 978 HA MET 32 HA MET 32 -25.402 24.619 14.811 979 HB2 MET 32 HB2 MET 32 -22.922 24.722 15.083 980 HB3 MET 32 HB3 MET 32 -22.835 23.018 14.646 981 HG2 MET 32 HG2 MET 32 -24.212 25.001 12.833 982 HG3 MET 32 HG3 MET 32 -22.465 24.785 12.778 983 HE1 MET 32 HE1 MET 32 -22.870 24.498 10.478 984 HE2 MET 32 HE2 MET 32 -23.186 22.962 9.670 985 HE3 MET 32 HE3 MET 32 -21.709 23.174 10.611 986 H GLU 33 H GLU 33 -24.538 21.265 15.545 987 HA GLU 33 HA GLU 33 -25.376 20.072 13.156 988 HB2 GLU 33 HB2 GLU 33 -24.097 18.892 14.907 989 HB3 GLU 33 HB3 GLU 33 -25.510 18.936 15.961 990 HG2 GLU 33 HG2 GLU 33 -26.780 17.570 14.417 991 HG3 GLU 33 HG3 GLU 33 -25.494 17.656 13.215 992 H LEU 34 H LEU 34 -27.199 21.086 15.994 993 HA LEU 34 HA LEU 34 -29.619 19.769 15.345 994 HB2 LEU 34 HB2 LEU 34 -29.228 20.584 17.589 995 HB3 LEU 34 HB3 LEU 34 -29.056 22.236 17.007 996 HG LEU 34 HG LEU 34 -31.396 22.313 16.364 997 HD11 LEU 34 HD11 LEU 34 -32.829 20.255 17.063 998 HD12 LEU 34 HD12 LEU 34 -31.306 19.367 17.023 999 HD13 LEU 34 HD13 LEU 34 -31.912 20.151 15.564 1000 HD21 LEU 34 HD21 LEU 34 -30.954 22.854 18.675 1001 HD22 LEU 34 HD22 LEU 34 -30.925 21.148 19.119 1002 HD23 LEU 34 HD23 LEU 34 -32.438 21.903 18.619 1003 H LEU 35 H LEU 35 -28.369 23.006 14.607 1004 HA LEU 35 HA LEU 35 -30.737 23.930 13.313 1005 HB2 LEU 35 HB2 LEU 35 -27.891 24.873 12.903 1006 HB3 LEU 35 HB3 LEU 35 -29.359 25.768 12.518 1007 HG LEU 35 HG LEU 35 -28.650 24.824 15.311 1008 HD11 LEU 35 HD11 LEU 35 -28.073 27.260 15.676 1009 HD12 LEU 35 HD12 LEU 35 -28.136 27.466 13.925 1010 HD13 LEU 35 HD13 LEU 35 -26.943 26.385 14.643 1011 HD21 LEU 35 HD21 LEU 35 -30.297 26.748 15.843 1012 HD22 LEU 35 HD22 LEU 35 -30.977 25.250 15.224 1013 HD23 LEU 35 HD23 LEU 35 -30.775 26.634 14.151 1014 H SER 36 H SER 36 -28.476 21.614 12.413 1015 HA SER 36 HA SER 36 -28.533 22.115 9.557 1016 HB2 SER 36 HB2 SER 36 -27.687 19.582 10.973 1017 HB3 SER 36 HB3 SER 36 -27.222 20.124 9.362 1018 HG SER 36 HG SER 36 -26.689 21.668 11.660 1019 H VAL 37 H VAL 37 -30.044 19.878 11.852 1020 HA VAL 37 HA VAL 37 -31.584 18.546 9.793 1021 HB VAL 37 HB VAL 37 -31.777 18.393 12.811 1022 HG11 VAL 37 HG11 VAL 37 -33.835 17.630 11.800 1023 HG12 VAL 37 HG12 VAL 37 -32.908 16.203 12.262 1024 HG13 VAL 37 HG13 VAL 37 -32.952 16.717 10.577 1025 HG21 VAL 37 HG21 VAL 37 -30.381 16.456 12.652 1026 HG22 VAL 37 HG22 VAL 37 -29.579 17.708 11.704 1027 HG23 VAL 37 HG23 VAL 37 -30.492 16.437 10.892 1028 H SER 38 H SER 38 -32.121 21.006 12.271 1029 HA SER 38 HA SER 38 -34.379 22.072 10.879 1030 HB2 SER 38 HB2 SER 38 -34.890 20.523 13.429 1031 HB3 SER 38 HB3 SER 38 -36.045 21.631 12.689 1032 HG SER 38 HG SER 38 -35.697 19.110 12.122 1033 H GLU 39 H GLU 39 -35.122 24.038 11.782 1034 HA GLU 39 HA GLU 39 -33.137 25.472 13.247 1035 HB2 GLU 39 HB2 GLU 39 -34.562 27.376 13.008 1036 HB3 GLU 39 HB3 GLU 39 -34.670 26.460 11.510 1037 HG2 GLU 39 HG2 GLU 39 -36.686 26.511 13.772 1038 HG3 GLU 39 HG3 GLU 39 -36.903 27.110 12.133 1039 H ALA 40 H ALA 40 -33.565 26.684 15.244 1040 HA ALA 40 HA ALA 40 -35.620 25.690 17.036 1041 HB1 ALA 40 HB1 ALA 40 -32.691 25.119 17.552 1042 HB2 ALA 40 HB2 ALA 40 -33.963 23.927 17.294 1043 HB3 ALA 40 HB3 ALA 40 -33.976 24.929 18.745 1044 H SER 41 H SER 41 -35.923 27.013 18.833 1045 HA SER 41 HA SER 41 -34.823 29.688 18.594 1046 HB2 SER 41 HB2 SER 41 -36.864 28.431 20.432 1047 HB3 SER 41 HB3 SER 41 -36.335 30.105 20.592 1048 HG SER 41 HG SER 41 -38.182 29.948 19.280 1049 H VAL 42 H VAL 42 -34.044 30.818 20.594 1050 HA VAL 42 HA VAL 42 -31.715 29.662 21.576 1051 HB VAL 42 HB VAL 42 -33.386 31.802 22.917 1052 HG11 VAL 42 HG11 VAL 42 -31.686 31.009 24.421 1053 HG12 VAL 42 HG12 VAL 42 -31.086 32.515 23.726 1054 HG13 VAL 42 HG13 VAL 42 -30.482 30.968 23.134 1055 HG21 VAL 42 HG21 VAL 42 -31.859 33.343 21.657 1056 HG22 VAL 42 HG22 VAL 42 -32.926 32.411 20.606 1057 HG23 VAL 42 HG23 VAL 42 -31.234 31.944 20.783 1058 H GLY 43 H GLY 43 -34.800 30.091 23.329 1059 HA2 GLY 43 HA2 GLY 43 -34.028 28.695 25.647 1060 HA3 GLY 43 HA3 GLY 43 -35.688 28.978 25.135 1061 H HIS 44 H HIS 44 -35.155 27.579 22.539 1062 HA HIS 44 HA HIS 44 -35.956 24.971 23.394 1063 HB2 HIS 44 HB2 HIS 44 -36.741 26.070 21.290 1064 HB3 HIS 44 HB3 HIS 44 -35.121 25.861 20.624 1065 HD1 HIS 44 HD1 HIS 44 -34.249 23.259 20.630 1066 HD2 HIS 44 HD2 HIS 44 -38.364 23.850 20.946 1067 HE1 HIS 44 HE1 HIS 44 -35.336 21.047 20.051 1068 HE2 HIS 44 HE2 HIS 44 -37.845 21.389 20.241 1069 H ILE 45 H ILE 45 -32.903 26.433 22.715 1070 HA ILE 45 HA ILE 45 -31.542 23.924 22.145 1071 HB ILE 45 HB ILE 45 -30.534 26.747 22.565 1072 HG12 ILE 45 HG12 ILE 45 -30.584 25.062 20.051 1073 HG13 ILE 45 HG13 ILE 45 -31.899 26.153 20.486 1074 HG21 ILE 45 HG21 ILE 45 -28.414 25.754 21.548 1075 HG22 ILE 45 HG22 ILE 45 -29.098 24.167 21.897 1076 HG23 ILE 45 HG23 ILE 45 -28.750 25.286 23.215 1077 HD11 ILE 45 HD11 ILE 45 -30.104 27.121 18.940 1078 HD12 ILE 45 HD12 ILE 45 -29.021 27.070 20.331 1079 HD13 ILE 45 HD13 ILE 45 -30.475 28.067 20.381 1080 H SER 46 H SER 46 -32.177 26.001 24.889 1081 HA SER 46 HA SER 46 -30.167 25.372 26.646 1082 HB2 SER 46 HB2 SER 46 -31.778 25.756 28.447 1083 HB3 SER 46 HB3 SER 46 -32.030 26.921 27.147 1084 HG SER 46 HG SER 46 -33.427 24.470 27.261 1085 H HIS 47 H HIS 47 -33.064 23.444 25.939 1086 HA HIS 47 HA HIS 47 -32.687 21.424 27.833 1087 HB2 HIS 47 HB2 HIS 47 -34.740 21.743 26.457 1088 HB3 HIS 47 HB3 HIS 47 -33.861 21.121 25.059 1089 HD1 HIS 47 HD1 HIS 47 -33.222 19.622 28.421 1090 HD2 HIS 47 HD2 HIS 47 -35.486 18.750 25.031 1091 HE1 HIS 47 HE1 HIS 47 -34.025 17.238 28.693 1092 HE2 HIS 47 HE2 HIS 47 -35.410 16.690 26.637 1093 H GLN 48 H GLN 48 -30.830 22.182 25.090 1094 HA GLN 48 HA GLN 48 -29.818 19.492 24.637 1095 HB2 GLN 48 HB2 GLN 48 -30.076 21.307 22.848 1096 HB3 GLN 48 HB3 GLN 48 -28.653 22.062 23.565 1097 HG2 GLN 48 HG2 GLN 48 -27.439 19.874 23.275 1098 HG3 GLN 48 HG3 GLN 48 -28.838 19.278 22.384 1099 HE21 GLN 48 HE21 GLN 48 -26.091 21.494 22.242 1100 HE22 GLN 48 HE22 GLN 48 -26.264 21.884 20.599 1101 H LEU 49 H LEU 49 -28.526 22.581 25.868 1102 HA LEU 49 HA LEU 49 -26.556 21.083 27.493 1103 HB2 LEU 49 HB2 LEU 49 -25.959 23.509 25.781 1104 HB3 LEU 49 HB3 LEU 49 -24.839 22.760 26.911 1105 HG LEU 49 HG LEU 49 -26.096 21.301 24.567 1106 HD11 LEU 49 HD11 LEU 49 -23.790 21.577 23.553 1107 HD12 LEU 49 HD12 LEU 49 -23.457 22.759 24.819 1108 HD13 LEU 49 HD13 LEU 49 -24.744 23.058 23.650 1109 HD21 LEU 49 HD21 LEU 49 -23.964 20.628 26.598 1110 HD22 LEU 49 HD22 LEU 49 -23.974 19.848 25.018 1111 HD23 LEU 49 HD23 LEU 49 -25.353 19.667 26.093 1112 H ASN 50 H ASN 50 -28.886 21.996 28.549 1113 HA ASN 50 HA ASN 50 -29.825 23.488 30.051 1114 HB2 ASN 50 HB2 ASN 50 -28.162 22.105 31.316 1115 HB3 ASN 50 HB3 ASN 50 -26.997 23.414 31.116 1116 HD21 ASN 50 HD21 ASN 50 -26.896 24.148 33.297 1117 HD22 ASN 50 HD22 ASN 50 -28.240 24.767 34.130 1118 H LEU 51 H LEU 51 -27.398 25.242 31.314 1119 HA LEU 51 HA LEU 51 -27.036 27.516 31.333 1120 HB2 LEU 51 HB2 LEU 51 -26.540 26.600 28.522 1121 HB3 LEU 51 HB3 LEU 51 -26.525 28.332 28.825 1122 HG LEU 51 HG LEU 51 -24.810 28.039 30.554 1123 HD11 LEU 51 HD11 LEU 51 -25.426 25.794 31.339 1124 HD12 LEU 51 HD12 LEU 51 -23.737 25.823 30.842 1125 HD13 LEU 51 HD13 LEU 51 -24.951 25.109 29.785 1126 HD21 LEU 51 HD21 LEU 51 -22.975 27.208 29.040 1127 HD22 LEU 51 HD22 LEU 51 -24.016 28.426 28.302 1128 HD23 LEU 51 HD23 LEU 51 -24.219 26.724 27.889 1129 H SER 52 H SER 52 -27.693 29.568 29.619 1130 HA SER 52 HA SER 52 -30.560 29.412 29.054 1131 HB2 SER 52 HB2 SER 52 -29.419 31.293 31.136 1132 HB3 SER 52 HB3 SER 52 -31.069 31.335 30.515 1133 HG SER 52 HG SER 52 -31.474 29.388 31.432 1134 H GLN 53 H GLN 53 -31.333 31.706 28.415 1135 HA GLN 53 HA GLN 53 -30.184 32.448 26.052 1136 HB2 GLN 53 HB2 GLN 53 -32.398 33.216 26.773 1137 HB3 GLN 53 HB3 GLN 53 -31.653 34.257 27.986 1138 HG2 GLN 53 HG2 GLN 53 -30.610 35.615 26.307 1139 HG3 GLN 53 HG3 GLN 53 -31.025 34.468 25.033 1140 HE21 GLN 53 HE21 GLN 53 -33.376 35.215 27.553 1141 HE22 GLN 53 HE22 GLN 53 -34.412 36.129 26.567 1142 H SER 54 H SER 54 -29.352 33.651 29.274 1143 HA SER 54 HA SER 54 -27.789 35.841 28.581 1144 HB2 SER 54 HB2 SER 54 -26.848 35.700 30.747 1145 HB3 SER 54 HB3 SER 54 -28.462 35.009 30.911 1146 HG SER 54 HG SER 54 -25.991 33.649 30.656 1147 H ASN 55 H ASN 55 -26.678 32.500 29.140 1148 HA ASN 55 HA ASN 55 -24.013 33.076 28.242 1149 HB2 ASN 55 HB2 ASN 55 -25.307 30.365 28.587 1150 HB3 ASN 55 HB3 ASN 55 -23.584 30.739 28.611 1151 HD21 ASN 55 HD21 ASN 55 -23.111 32.625 30.369 1152 HD22 ASN 55 HD22 ASN 55 -23.840 32.361 31.879 1153 H VAL 56 H VAL 56 -26.845 31.494 26.823 1154 HA VAL 56 HA VAL 56 -25.527 30.586 24.478 1155 HB VAL 56 HB VAL 56 -28.459 31.115 25.010 1156 HG11 VAL 56 HG11 VAL 56 -28.171 31.038 22.638 1157 HG12 VAL 56 HG12 VAL 56 -28.703 29.424 23.110 1158 HG13 VAL 56 HG13 VAL 56 -27.002 29.722 22.754 1159 HG21 VAL 56 HG21 VAL 56 -28.547 28.697 25.416 1160 HG22 VAL 56 HG22 VAL 56 -27.378 29.447 26.503 1161 HG23 VAL 56 HG23 VAL 56 -26.820 28.563 25.083 1162 H SER 57 H SER 57 -27.434 33.492 25.194 1163 HA SER 57 HA SER 57 -27.541 34.508 22.565 1164 HB2 SER 57 HB2 SER 57 -28.055 36.663 23.611 1165 HB3 SER 57 HB3 SER 57 -28.946 35.368 24.406 1166 HG SER 57 HG SER 57 -28.066 36.234 26.118 1167 H HIS 58 H HIS 58 -25.055 34.575 25.011 1168 HA HIS 58 HA HIS 58 -23.465 36.606 23.706 1169 HB2 HIS 58 HB2 HIS 58 -22.888 34.658 25.947 1170 HB3 HIS 58 HB3 HIS 58 -21.697 35.805 25.336 1171 HD1 HIS 58 HD1 HIS 58 -25.092 37.140 25.182 1172 HD2 HIS 58 HD2 HIS 58 -22.055 37.017 28.034 1173 HE1 HIS 58 HE1 HIS 58 -25.673 38.885 26.919 1174 HE2 HIS 58 HE2 HIS 58 -23.834 38.822 28.669 1175 H GLN 59 H GLN 59 -23.409 33.070 23.970 1176 HA GLN 59 HA GLN 59 -21.056 32.649 22.456 1177 HB2 GLN 59 HB2 GLN 59 -22.268 30.963 23.926 1178 HB3 GLN 59 HB3 GLN 59 -23.419 30.772 22.605 1179 HG2 GLN 59 HG2 GLN 59 -21.796 29.060 22.276 1180 HG3 GLN 59 HG3 GLN 59 -21.400 30.313 21.103 1181 HE21 GLN 59 HE21 GLN 59 -20.695 30.409 24.616 1182 HE22 GLN 59 HE22 GLN 59 -19.008 30.426 24.431 1183 H LEU 60 H LEU 60 -24.496 32.646 21.537 1184 HA LEU 60 HA LEU 60 -24.205 32.004 18.848 1185 HB2 LEU 60 HB2 LEU 60 -26.312 32.456 20.429 1186 HB3 LEU 60 HB3 LEU 60 -26.268 34.031 19.664 1187 HG LEU 60 HG LEU 60 -27.754 32.695 18.375 1188 HD11 LEU 60 HD11 LEU 60 -26.825 32.889 16.223 1189 HD12 LEU 60 HD12 LEU 60 -25.196 32.535 16.793 1190 HD13 LEU 60 HD13 LEU 60 -25.950 34.084 17.179 1191 HD21 LEU 60 HD21 LEU 60 -26.630 30.481 19.263 1192 HD22 LEU 60 HD22 LEU 60 -25.694 30.587 17.774 1193 HD23 LEU 60 HD23 LEU 60 -27.449 30.501 17.707 1194 H LYS 61 H LYS 61 -23.782 35.078 20.502 1195 HA LYS 61 HA LYS 61 -23.718 36.791 18.278 1196 HB2 LYS 61 HB2 LYS 61 -23.736 37.428 20.742 1197 HB3 LYS 61 HB3 LYS 61 -22.003 37.096 20.746 1198 HG2 LYS 61 HG2 LYS 61 -21.867 38.695 18.732 1199 HG3 LYS 61 HG3 LYS 61 -23.501 39.194 19.167 1200 HD2 LYS 61 HD2 LYS 61 -21.056 39.313 20.960 1201 HD3 LYS 61 HD3 LYS 61 -21.862 40.691 20.212 1202 HE2 LYS 61 HE2 LYS 61 -22.900 38.874 22.389 1203 HE3 LYS 61 HE3 LYS 61 -22.726 40.629 22.419 1204 HZ1 LYS 61 HZ1 LYS 61 -24.910 40.538 21.938 1205 HZ2 LYS 61 HZ2 LYS 61 -24.819 38.992 21.240 1206 HZ3 LYS 61 HZ3 LYS 61 -24.347 40.356 20.347 1207 H LEU 62 H LEU 62 -21.309 34.618 19.611 1208 HA LEU 62 HA LEU 62 -19.083 35.685 18.175 1209 HB2 LEU 62 HB2 LEU 62 -19.352 32.834 19.126 1210 HB3 LEU 62 HB3 LEU 62 -17.880 33.784 18.929 1211 HG LEU 62 HG LEU 62 -20.078 34.289 20.958 1212 HD11 LEU 62 HD11 LEU 62 -18.591 32.359 21.447 1213 HD12 LEU 62 HD12 LEU 62 -18.355 33.678 22.594 1214 HD13 LEU 62 HD13 LEU 62 -17.190 33.420 21.294 1215 HD21 LEU 62 HD21 LEU 62 -17.582 35.823 20.209 1216 HD22 LEU 62 HD22 LEU 62 -18.301 35.963 21.813 1217 HD23 LEU 62 HD23 LEU 62 -19.228 36.429 20.391 1218 H LEU 63 H LEU 63 -21.322 32.989 17.563 1219 HA LEU 63 HA LEU 63 -20.090 32.063 15.198 1220 HB2 LEU 63 HB2 LEU 63 -22.892 31.880 16.296 1221 HB3 LEU 63 HB3 LEU 63 -22.502 31.218 14.709 1222 HG LEU 63 HG LEU 63 -20.827 29.753 15.666 1223 HD11 LEU 63 HD11 LEU 63 -21.417 31.298 18.196 1224 HD12 LEU 63 HD12 LEU 63 -19.860 31.070 17.398 1225 HD13 LEU 63 HD13 LEU 63 -20.634 29.719 18.226 1226 HD21 LEU 63 HD21 LEU 63 -23.257 29.089 15.765 1227 HD22 LEU 63 HD22 LEU 63 -23.293 29.675 17.429 1228 HD23 LEU 63 HD23 LEU 63 -22.256 28.316 16.995 1229 H LYS 64 H LYS 64 -22.424 34.626 15.809 1230 HA LYS 64 HA LYS 64 -23.273 35.157 13.209 1231 HB2 LYS 64 HB2 LYS 64 -24.214 36.235 15.228 1232 HB3 LYS 64 HB3 LYS 64 -22.727 37.167 15.408 1233 HG2 LYS 64 HG2 LYS 64 -23.107 38.360 13.383 1234 HG3 LYS 64 HG3 LYS 64 -24.354 37.228 12.860 1235 HD2 LYS 64 HD2 LYS 64 -25.345 39.333 13.703 1236 HD3 LYS 64 HD3 LYS 64 -25.808 37.959 14.705 1237 HE2 LYS 64 HE2 LYS 64 -24.302 38.570 16.432 1238 HE3 LYS 64 HE3 LYS 64 -23.407 39.667 15.379 1239 HZ1 LYS 64 HZ1 LYS 64 -24.813 41.308 15.817 1240 HZ2 LYS 64 HZ2 LYS 64 -25.448 40.344 17.064 1241 HZ3 LYS 64 HZ3 LYS 64 -26.176 40.339 15.528 1242 H SER 65 H SER 65 -20.428 36.397 14.944 1243 HA SER 65 HA SER 65 -19.450 38.157 13.033 1244 HB2 SER 65 HB2 SER 65 -18.541 37.752 15.365 1245 HB3 SER 65 HB3 SER 65 -17.717 36.337 14.712 1246 HG SER 65 HG SER 65 -17.000 38.010 13.043 1247 H VAL 66 H VAL 66 -18.806 34.668 13.355 1248 HA VAL 66 HA VAL 66 -17.088 34.445 11.128 1249 HB VAL 66 HB VAL 66 -18.946 32.261 12.076 1250 HG11 VAL 66 HG11 VAL 66 -16.926 30.871 11.582 1251 HG12 VAL 66 HG12 VAL 66 -16.113 32.318 10.990 1252 HG13 VAL 66 HG13 VAL 66 -17.544 31.707 10.159 1253 HG21 VAL 66 HG21 VAL 66 -16.479 33.401 13.405 1254 HG22 VAL 66 HG22 VAL 66 -17.069 31.772 13.738 1255 HG23 VAL 66 HG23 VAL 66 -18.078 33.169 14.110 1256 H HIS 67 H HIS 67 -20.303 35.290 11.228 1257 HA HIS 67 HA HIS 67 -21.931 35.526 9.633 1258 HB2 HIS 67 HB2 HIS 67 -19.875 36.361 8.342 1259 HB3 HIS 67 HB3 HIS 67 -19.847 34.773 7.579 1260 HD1 HIS 67 HD1 HIS 67 -22.035 34.100 6.193 1261 HD2 HIS 67 HD2 HIS 67 -21.789 38.111 7.304 1262 HE1 HIS 67 HE1 HIS 67 -23.723 35.340 4.772 1263 HE2 HIS 67 HE2 HIS 67 -23.591 37.786 5.439 1264 H LEU 68 H LEU 68 -20.892 32.788 10.693 1265 HA LEU 68 HA LEU 68 -21.714 30.922 8.654 1266 HB2 LEU 68 HB2 LEU 68 -19.994 30.574 10.562 1267 HB3 LEU 68 HB3 LEU 68 -21.395 30.301 11.585 1268 HG LEU 68 HG LEU 68 -22.113 28.604 9.694 1269 HD11 LEU 68 HD11 LEU 68 -20.399 29.107 8.051 1270 HD12 LEU 68 HD12 LEU 68 -20.091 27.498 8.693 1271 HD13 LEU 68 HD13 LEU 68 -19.124 28.862 9.244 1272 HD21 LEU 68 HD21 LEU 68 -20.756 26.816 10.808 1273 HD22 LEU 68 HD22 LEU 68 -21.588 27.879 11.944 1274 HD23 LEU 68 HD23 LEU 68 -19.860 28.081 11.650 1275 H VAL 69 H VAL 69 -23.325 32.845 10.934 1276 HA VAL 69 HA VAL 69 -25.846 31.368 10.494 1277 HB VAL 69 HB VAL 69 -24.869 32.331 13.194 1278 HG11 VAL 69 HG11 VAL 69 -27.434 31.065 12.214 1279 HG12 VAL 69 HG12 VAL 69 -27.238 32.563 13.122 1280 HG13 VAL 69 HG13 VAL 69 -26.953 31.012 13.910 1281 HG21 VAL 69 HG21 VAL 69 -23.693 30.307 12.547 1282 HG22 VAL 69 HG22 VAL 69 -25.199 29.555 12.018 1283 HG23 VAL 69 HG23 VAL 69 -24.928 29.877 13.731 1284 H LYS 70 H LYS 70 -27.739 32.647 10.939 1285 HA LYS 70 HA LYS 70 -27.349 35.577 11.028 1286 HB2 LYS 70 HB2 LYS 70 -27.544 34.866 8.649 1287 HB3 LYS 70 HB3 LYS 70 -29.102 34.131 9.024 1288 HG2 LYS 70 HG2 LYS 70 -30.020 36.286 9.673 1289 HG3 LYS 70 HG3 LYS 70 -28.443 37.054 9.489 1290 HD2 LYS 70 HD2 LYS 70 -28.452 36.616 7.098 1291 HD3 LYS 70 HD3 LYS 70 -29.940 35.680 7.237 1292 HE2 LYS 70 HE2 LYS 70 -31.161 37.673 7.962 1293 HE3 LYS 70 HE3 LYS 70 -29.674 38.622 7.927 1294 HZ1 LYS 70 HZ1 LYS 70 -29.502 38.036 5.530 1295 HZ2 LYS 70 HZ2 LYS 70 -30.835 39.017 5.911 1296 HZ3 LYS 70 HZ3 LYS 70 -31.055 37.357 5.626 1297 H ALA 71 H ALA 71 -29.177 36.728 11.769 1298 HA ALA 71 HA ALA 71 -31.019 35.112 13.428 1299 HB1 ALA 71 HB1 ALA 71 -31.397 37.275 14.608 1300 HB2 ALA 71 HB2 ALA 71 -30.200 38.022 13.552 1301 HB3 ALA 71 HB3 ALA 71 -29.718 36.739 14.661 1302 H LYS 72 H LYS 72 -33.005 34.828 12.705 1303 HA LYS 72 HA LYS 72 -34.156 36.661 10.698 1304 HB2 LYS 72 HB2 LYS 72 -34.160 34.199 10.267 1305 HB3 LYS 72 HB3 LYS 72 -35.193 33.994 11.681 1306 HG2 LYS 72 HG2 LYS 72 -36.904 35.425 10.679 1307 HG3 LYS 72 HG3 LYS 72 -35.863 35.736 9.290 1308 HD2 LYS 72 HD2 LYS 72 -35.848 33.257 8.840 1309 HD3 LYS 72 HD3 LYS 72 -37.056 33.075 10.113 1310 HE2 LYS 72 HE2 LYS 72 -38.618 34.488 8.910 1311 HE3 LYS 72 HE3 LYS 72 -37.398 34.876 7.698 1312 HZ1 LYS 72 HZ1 LYS 72 -38.332 32.116 8.244 1313 HZ2 LYS 72 HZ2 LYS 72 -37.382 32.649 6.941 1314 HZ3 LYS 72 HZ3 LYS 72 -39.013 33.109 7.047 1315 H ARG 73 H ARG 73 -35.458 38.225 11.386 1316 HA ARG 73 HA ARG 73 -36.524 38.226 14.077 1317 HB2 ARG 73 HB2 ARG 73 -37.116 40.178 11.846 1318 HB3 ARG 73 HB3 ARG 73 -37.283 40.444 13.582 1319 HG2 ARG 73 HG2 ARG 73 -34.815 40.098 13.820 1320 HG3 ARG 73 HG3 ARG 73 -34.698 39.998 12.063 1321 HD2 ARG 73 HD2 ARG 73 -35.666 42.265 11.875 1322 HD3 ARG 73 HD3 ARG 73 -35.762 42.366 13.631 1323 HE ARG 73 HE ARG 73 -33.475 42.776 13.689 1324 HH11 ARG 73 HH21 ARG 73 -34.459 41.573 10.596 1325 HH12 ARG 73 HH22 ARG 73 -32.932 41.882 9.838 1326 HH21 ARG 73 HH11 ARG 73 -31.476 43.189 12.700 1327 HH22 ARG 73 HH12 ARG 73 -31.243 42.797 11.029 1328 H GLN 74 H GLN 74 -38.246 37.006 14.522 1329 HA GLN 74 HA GLN 74 -40.617 37.153 12.754 1330 HB2 GLN 74 HB2 GLN 74 -39.262 35.010 12.421 1331 HB3 GLN 74 HB3 GLN 74 -39.709 34.593 14.075 1332 HG2 GLN 74 HG2 GLN 74 -41.359 33.572 12.686 1333 HG3 GLN 74 HG3 GLN 74 -42.133 34.997 13.375 1334 HE21 GLN 74 HE21 GLN 74 -39.816 34.749 10.626 1335 HE22 GLN 74 HE22 GLN 74 -40.857 35.470 9.495 1336 H GLY 75 H GLY 75 -41.642 38.538 14.191 1337 HA2 GLY 75 HA2 GLY 75 -43.049 39.028 15.953 1338 HA3 GLY 75 HA3 GLY 75 -43.002 37.320 16.382 1339 H GLN 76 H GLN 76 -42.886 37.941 18.622 1340 HA GLN 76 HA GLN 76 -40.707 39.516 19.616 1341 HB2 GLN 76 HB2 GLN 76 -42.363 37.553 21.203 1342 HB3 GLN 76 HB3 GLN 76 -41.544 39.002 21.784 1343 HG2 GLN 76 HG2 GLN 76 -43.908 38.909 19.886 1344 HG3 GLN 76 HG3 GLN 76 -43.933 39.456 21.562 1345 HE21 GLN 76 HE21 GLN 76 -44.149 40.779 18.637 1346 HE22 GLN 76 HE22 GLN 76 -43.246 42.201 18.848 1347 H SER 77 H SER 77 -40.877 36.407 18.394 1348 HA SER 77 HA SER 77 -38.742 35.309 20.103 1349 HB2 SER 77 HB2 SER 77 -39.224 33.204 19.028 1350 HB3 SER 77 HB3 SER 77 -40.750 33.928 19.533 1351 HG SER 77 HG SER 77 -40.607 34.882 17.263 1352 H MET 78 H MET 78 -36.698 35.106 19.442 1353 HA MET 78 HA MET 78 -35.953 36.092 16.760 1354 HB2 MET 78 HB2 MET 78 -34.256 35.530 19.206 1355 HB3 MET 78 HB3 MET 78 -33.691 36.247 17.697 1356 HG2 MET 78 HG2 MET 78 -35.116 38.179 18.011 1357 HG3 MET 78 HG3 MET 78 -35.895 37.435 19.407 1358 HE1 MET 78 HE1 MET 78 -32.340 38.151 17.956 1359 HE2 MET 78 HE2 MET 78 -31.786 39.390 19.081 1360 HE3 MET 78 HE3 MET 78 -33.222 39.672 18.097 1361 H ILE 79 H ILE 79 -36.446 34.248 15.523 1362 HA ILE 79 HA ILE 79 -35.363 31.659 16.245 1363 HB ILE 79 HB ILE 79 -36.638 32.507 13.636 1364 HG12 ILE 79 HG12 ILE 79 -37.932 31.341 16.121 1365 HG13 ILE 79 HG13 ILE 79 -38.084 33.019 15.601 1366 HG21 ILE 79 HG21 ILE 79 -35.404 30.348 13.639 1367 HG22 ILE 79 HG22 ILE 79 -37.140 30.112 13.446 1368 HG23 ILE 79 HG23 ILE 79 -36.378 29.813 15.007 1369 HD11 ILE 79 HD11 ILE 79 -39.044 30.549 14.137 1370 HD12 ILE 79 HD12 ILE 79 -38.990 32.150 13.400 1371 HD13 ILE 79 HD13 ILE 79 -40.030 31.855 14.794 1372 H TYR 80 H TYR 80 -33.715 30.571 15.250 1373 HA TYR 80 HA TYR 80 -31.945 32.111 13.418 1374 HB2 TYR 80 HB2 TYR 80 -31.242 30.174 15.635 1375 HB3 TYR 80 HB3 TYR 80 -30.089 30.781 14.448 1376 HD1 TYR 80 HD1 TYR 80 -32.483 31.832 17.104 1377 HD2 TYR 80 HD2 TYR 80 -29.108 32.937 14.688 1378 HE1 TYR 80 HE1 TYR 80 -32.180 33.883 18.465 1379 HE2 TYR 80 HE2 TYR 80 -28.808 34.990 16.047 1380 HH TYR 80 HH TYR 80 -30.198 35.448 19.016 1381 H SER 81 H SER 81 -30.827 30.876 11.835 1382 HA SER 81 HA SER 81 -31.401 28.070 11.488 1383 HB2 SER 81 HB2 SER 81 -32.508 29.983 9.423 1384 HB3 SER 81 HB3 SER 81 -32.672 28.228 9.454 1385 HG SER 81 HG SER 81 -34.529 29.286 10.266 1386 H LEU 82 H LEU 82 -30.872 27.803 8.802 1387 HA LEU 82 HA LEU 82 -28.031 28.316 8.748 1388 HB2 LEU 82 HB2 LEU 82 -29.698 27.212 6.487 1389 HB3 LEU 82 HB3 LEU 82 -27.984 26.953 6.802 1390 HG LEU 82 HG LEU 82 -30.253 25.992 8.574 1391 HD11 LEU 82 HD11 LEU 82 -29.778 23.792 7.728 1392 HD12 LEU 82 HD12 LEU 82 -28.365 24.373 6.847 1393 HD13 LEU 82 HD13 LEU 82 -29.982 24.847 6.329 1394 HD21 LEU 82 HD21 LEU 82 -28.293 24.634 9.560 1395 HD22 LEU 82 HD22 LEU 82 -28.361 26.346 9.969 1396 HD23 LEU 82 HD23 LEU 82 -27.240 25.779 8.730 1397 H ASP 83 H ASP 83 -27.005 29.219 6.751 1398 HA ASP 83 HA ASP 83 -28.152 31.829 6.202 1399 HB2 ASP 83 HB2 ASP 83 -25.585 30.563 5.218 1400 HB3 ASP 83 HB3 ASP 83 -26.029 32.261 5.060 1401 H ASP 84 H ASP 84 -27.338 28.899 4.366 1402 HA ASP 84 HA ASP 84 -29.312 29.584 2.341 1403 HB2 ASP 84 HB2 ASP 84 -26.353 29.522 1.722 1404 HB3 ASP 84 HB3 ASP 84 -27.609 29.399 0.491 1405 H ILE 85 H ILE 85 -26.398 27.619 1.987 1406 HA ILE 85 HA ILE 85 -27.775 25.138 2.507 1407 HB ILE 85 HB ILE 85 -27.363 24.241 0.187 1408 HG12 ILE 85 HG12 ILE 85 -27.029 27.187 -0.453 1409 HG13 ILE 85 HG13 ILE 85 -25.755 25.972 -0.528 1410 HG21 ILE 85 HG21 ILE 85 -29.275 26.580 0.121 1411 HG22 ILE 85 HG22 ILE 85 -29.611 25.132 1.070 1412 HG23 ILE 85 HG23 ILE 85 -29.429 25.018 -0.679 1413 HD11 ILE 85 HD11 ILE 85 -26.618 26.299 -2.766 1414 HD12 ILE 85 HD12 ILE 85 -28.273 26.054 -2.210 1415 HD13 ILE 85 HD13 ILE 85 -27.132 24.710 -2.199 1416 H HIS 86 H HIS 86 -24.977 26.859 1.265 1417 HA HIS 86 HA HIS 86 -23.112 24.849 1.034 1418 HB2 HIS 86 HB2 HIS 86 -22.546 27.552 2.265 1419 HB3 HIS 86 HB3 HIS 86 -21.424 26.527 1.371 1420 HD1 HIS 86 HD1 HIS 86 -23.657 29.315 0.901 1421 HD2 HIS 86 HD2 HIS 86 -22.459 26.091 -1.457 1422 HE1 HIS 86 HE1 HIS 86 -24.196 29.939 -1.492 1423 HE2 HIS 86 HE2 HIS 86 -23.464 27.990 -2.945 1424 H VAL 87 H VAL 87 -24.423 26.274 3.950 1425 HA VAL 87 HA VAL 87 -22.487 25.309 5.778 1426 HB VAL 87 HB VAL 87 -25.416 25.744 6.376 1427 HG11 VAL 87 HG11 VAL 87 -23.983 24.773 8.159 1428 HG12 VAL 87 HG12 VAL 87 -24.548 26.391 8.575 1429 HG13 VAL 87 HG13 VAL 87 -22.894 26.153 8.011 1430 HG21 VAL 87 HG21 VAL 87 -24.715 27.692 5.148 1431 HG22 VAL 87 HG22 VAL 87 -23.176 27.750 6.005 1432 HG23 VAL 87 HG23 VAL 87 -24.674 28.123 6.857 1433 H ALA 88 H ALA 88 -25.592 23.977 4.671 1434 HA ALA 88 HA ALA 88 -25.499 21.659 6.308 1435 HB1 ALA 88 HB1 ALA 88 -27.594 22.466 5.343 1436 HB2 ALA 88 HB2 ALA 88 -27.280 20.815 4.809 1437 HB3 ALA 88 HB3 ALA 88 -26.983 22.168 3.717 1438 H THR 89 H THR 89 -25.030 21.955 2.777 1439 HA THR 89 HA THR 89 -24.242 19.411 2.181 1440 HB THR 89 HB THR 89 -22.979 20.354 0.300 1441 HG1 THR 89 HG1 THR 89 -22.808 22.437 2.034 1442 HG21 THR 89 HG21 THR 89 -25.445 22.012 0.897 1443 HG22 THR 89 HG22 THR 89 -25.489 20.353 0.302 1444 HG23 THR 89 HG23 THR 89 -24.790 21.629 -0.695 1445 H MET 90 H MET 90 -22.493 21.731 4.056 1446 HA MET 90 HA MET 90 -19.897 20.571 3.704 1447 HB2 MET 90 HB2 MET 90 -20.313 22.937 4.425 1448 HB3 MET 90 HB3 MET 90 -20.887 22.318 5.972 1449 HG2 MET 90 HG2 MET 90 -18.163 21.552 4.915 1450 HG3 MET 90 HG3 MET 90 -18.407 23.055 5.800 1451 HE1 MET 90 HE1 MET 90 -16.492 21.968 6.971 1452 HE2 MET 90 HE2 MET 90 -16.559 20.214 6.805 1453 HE3 MET 90 HE3 MET 90 -16.663 20.951 8.403 1454 H LEU 91 H LEU 91 -21.942 20.728 6.627 1455 HA LEU 91 HA LEU 91 -20.587 18.891 8.163 1456 HB2 LEU 91 HB2 LEU 91 -22.559 20.343 8.839 1457 HB3 LEU 91 HB3 LEU 91 -23.597 19.134 8.094 1458 HG LEU 91 HG LEU 91 -22.289 17.438 9.627 1459 HD11 LEU 91 HD11 LEU 91 -21.792 20.085 11.024 1460 HD12 LEU 91 HD12 LEU 91 -20.576 18.925 10.486 1461 HD13 LEU 91 HD13 LEU 91 -21.661 18.514 11.809 1462 HD21 LEU 91 HD21 LEU 91 -24.262 19.412 10.810 1463 HD22 LEU 91 HD22 LEU 91 -23.914 17.799 11.434 1464 HD23 LEU 91 HD23 LEU 91 -24.685 17.988 9.859 1465 H LYS 92 H LYS 92 -22.806 18.295 5.524 1466 HA LYS 92 HA LYS 92 -23.331 15.565 6.065 1467 HB2 LYS 92 HB2 LYS 92 -24.663 16.978 4.509 1468 HB3 LYS 92 HB3 LYS 92 -23.307 16.969 3.383 1469 HG2 LYS 92 HG2 LYS 92 -23.452 14.573 3.119 1470 HG3 LYS 92 HG3 LYS 92 -24.636 14.451 4.420 1471 HD2 LYS 92 HD2 LYS 92 -26.282 15.659 3.122 1472 HD3 LYS 92 HD3 LYS 92 -25.095 16.024 1.870 1473 HE2 LYS 92 HE2 LYS 92 -26.094 13.262 2.631 1474 HE3 LYS 92 HE3 LYS 92 -26.510 14.147 1.164 1475 HZ1 LYS 92 HZ1 LYS 92 -23.803 13.216 1.954 1476 HZ2 LYS 92 HZ2 LYS 92 -24.141 14.163 0.584 1477 HZ3 LYS 92 HZ3 LYS 92 -24.762 12.587 0.701 1478 H GLN 93 H GLN 93 -21.371 16.810 3.363 1479 HA GLN 93 HA GLN 93 -20.155 14.427 2.704 1480 HB2 GLN 93 HB2 GLN 93 -19.129 17.256 2.429 1481 HB3 GLN 93 HB3 GLN 93 -18.349 15.860 1.686 1482 HG2 GLN 93 HG2 GLN 93 -20.354 15.347 0.419 1483 HG3 GLN 93 HG3 GLN 93 -21.256 16.606 1.260 1484 HE21 GLN 93 HE21 GLN 93 -20.090 18.898 1.049 1485 HE22 GLN 93 HE22 GLN 93 -19.512 19.269 -0.504 1486 H ALA 94 H ALA 94 -19.547 16.359 5.481 1487 HA ALA 94 HA ALA 94 -16.824 15.522 5.881 1488 HB1 ALA 94 HB1 ALA 94 -17.880 17.640 6.800 1489 HB2 ALA 94 HB2 ALA 94 -16.961 16.685 7.962 1490 HB3 ALA 94 HB3 ALA 94 -18.723 16.616 7.961 1491 H ILE 95 H ILE 95 -19.771 14.883 7.801 1492 HA ILE 95 HA ILE 95 -18.717 12.795 9.325 1493 HB ILE 95 HB ILE 95 -21.587 13.139 8.422 1494 HG12 ILE 95 HG12 ILE 95 -20.252 14.150 10.947 1495 HG13 ILE 95 HG13 ILE 95 -20.497 15.152 9.516 1496 HG21 ILE 95 HG21 ILE 95 -20.283 11.640 10.709 1497 HG22 ILE 95 HG22 ILE 95 -21.267 10.964 9.409 1498 HG23 ILE 95 HG23 ILE 95 -22.011 11.988 10.638 1499 HD11 ILE 95 HD11 ILE 95 -22.356 15.532 11.024 1500 HD12 ILE 95 HD12 ILE 95 -22.641 13.799 11.178 1501 HD13 ILE 95 HD13 ILE 95 -22.952 14.611 9.644 1502 H HIS 96 H HIS 96 -19.597 12.869 6.018 1503 HA HIS 96 HA HIS 96 -20.155 10.061 5.729 1504 HB2 HIS 96 HB2 HIS 96 -19.545 12.241 3.722 1505 HB3 HIS 96 HB3 HIS 96 -19.954 10.584 3.276 1506 HD1 HIS 96 HD1 HIS 96 -21.698 11.708 6.292 1507 HD2 HIS 96 HD2 HIS 96 -22.409 11.851 2.186 1508 HE1 HIS 96 HE1 HIS 96 -24.157 12.234 6.011 1509 HE2 HIS 96 HE2 HIS 96 -24.609 12.323 3.514 1510 H HIS 97 H HIS 97 -17.327 12.141 5.357 1511 HA HIS 97 HA HIS 97 -15.642 10.296 4.056 1512 HB2 HIS 97 HB2 HIS 97 -15.130 12.715 4.305 1513 HB3 HIS 97 HB3 HIS 97 -14.847 12.453 6.026 1514 HD1 HIS 97 HD1 HIS 97 -13.217 12.216 2.745 1515 HD2 HIS 97 HD2 HIS 97 -12.598 10.594 6.535 1516 HE1 HIS 97 HE1 HIS 97 -10.865 11.284 2.748 1517 HE2 HIS 97 HE2 HIS 97 -10.469 10.288 5.051 1518 H ALA 98 H ALA 98 -15.510 11.216 7.507 1519 HA ALA 98 HA ALA 98 -13.818 9.314 8.464 1520 HB1 ALA 98 HB1 ALA 98 -14.907 11.100 9.825 1521 HB2 ALA 98 HB2 ALA 98 -14.918 9.525 10.618 1522 HB3 ALA 98 HB3 ALA 98 -16.383 10.135 9.848 1523 H ASN 99 H ASN 99 -17.293 8.800 8.987 1524 HA ASN 99 HA ASN 99 -16.925 5.921 8.930 1525 HB2 ASN 99 HB2 ASN 99 -19.428 5.937 9.319 1526 HB3 ASN 99 HB3 ASN 99 -18.471 6.748 10.558 1527 HD21 ASN 99 HD21 ASN 99 -20.367 7.442 7.579 1528 HD22 ASN 99 HD22 ASN 99 -20.818 9.008 8.055 1529 H HIS 100 H HIS 100 -17.140 4.677 7.181 1530 HA HIS 100 HA HIS 100 -19.061 5.243 5.117 1531 HB2 HIS 100 HB2 HIS 100 -17.055 6.763 4.624 1532 HB3 HIS 100 HB3 HIS 100 -16.162 5.286 4.269 1533 HD1 HIS 100 HD1 HIS 100 -18.891 7.485 2.966 1534 HD2 HIS 100 HD2 HIS 100 -17.018 3.916 1.903 1535 HE1 HIS 100 HE1 HIS 100 -19.586 6.997 0.582 1536 HE2 HIS 100 HE2 HIS 100 -18.464 4.816 -0.078 1537 HA PRO 101 HA PRO 101 -17.779 0.799 6.066 1538 HB2 PRO 101 HB2 PRO 101 -20.740 0.649 5.527 1539 HB3 PRO 101 HB3 PRO 101 -19.770 -0.235 6.720 1540 HG2 PRO 101 HG2 PRO 101 -21.264 1.815 7.474 1541 HG3 PRO 101 HG3 PRO 101 -19.640 1.599 8.148 1542 HD2 PRO 101 HD2 PRO 101 -20.574 3.547 6.055 1543 HD3 PRO 101 HD3 PRO 101 -19.370 3.773 7.343 1544 H LYS 102 H LYS 102 -20.480 1.345 3.800 1545 HA LYS 102 HA LYS 102 -18.918 0.884 1.448 1546 HB2 LYS 102 HB2 LYS 102 -19.028 -1.421 2.470 1547 HB3 LYS 102 HB3 LYS 102 -20.777 -1.361 2.257 1548 HG2 LYS 102 HG2 LYS 102 -20.545 -1.147 -0.139 1549 HG3 LYS 102 HG3 LYS 102 -18.797 -0.957 -0.002 1550 HD2 LYS 102 HD2 LYS 102 -18.543 -3.226 0.781 1551 HD3 LYS 102 HD3 LYS 102 -20.289 -3.431 0.911 1552 HE2 LYS 102 HE2 LYS 102 -20.505 -3.138 -1.531 1553 HE3 LYS 102 HE3 LYS 102 -18.759 -2.934 -1.662 1554 HZ1 LYS 102 HZ1 LYS 102 -18.661 -5.127 -1.876 1555 HZ2 LYS 102 HZ2 LYS 102 -20.288 -5.329 -1.435 1556 HZ3 LYS 102 HZ3 LYS 102 -19.087 -5.246 -0.237 1557 H GLU 103 H GLU 103 -20.167 1.070 -0.477 1558 HA GLU 103 HA GLU 103 -22.457 2.751 -0.207 1559 HB2 GLU 103 HB2 GLU 103 -21.250 1.370 -2.616 1560 HB3 GLU 103 HB3 GLU 103 -22.565 2.541 -2.701 1561 HG2 GLU 103 HG2 GLU 103 -19.942 3.165 -1.335 1562 HG3 GLU 103 HG3 GLU 103 -20.201 3.464 -3.052
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