NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
649434 | 6taz | 34443 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 ASP 1 HT1 ASP 1 -23.892 14.677 -3.007 2 H2 ASP 1 HT2 ASP 1 -23.477 13.053 -3.210 3 H3 ASP 1 HT3 ASP 1 -25.082 13.482 -2.896 4 HA ASP 1 HA ASP 1 -25.224 14.635 -4.983 5 HB2 ASP 1 HB2 ASP 1 -23.340 14.214 -6.647 6 HB3 ASP 1 HB3 ASP 1 -23.012 15.373 -5.367 7 HA PRO 2 HA PRO 2 -27.621 11.501 -6.281 8 HB2 PRO 2 HB2 PRO 2 -26.413 11.571 -9.010 9 HB3 PRO 2 HB3 PRO 2 -28.114 11.574 -8.530 10 HG2 PRO 2 HG2 PRO 2 -26.930 13.834 -9.247 11 HG3 PRO 2 HG3 PRO 2 -28.065 13.805 -7.888 12 HD2 PRO 2 HD2 PRO 2 -25.103 14.023 -7.870 13 HD3 PRO 2 HD3 PRO 2 -26.293 14.689 -6.737 14 H SER 3 H SER 3 -24.836 10.617 -8.378 15 HA SER 3 HA SER 3 -24.920 7.960 -7.148 16 HB2 SER 3 HB2 SER 3 -24.941 6.953 -9.472 17 HB3 SER 3 HB3 SER 3 -26.448 7.709 -8.957 18 HG SER 3 HG SER 3 -25.250 9.652 -10.081 19 H ARG 4 H ARG 4 -22.954 9.785 -6.738 20 HA ARG 4 HA ARG 4 -20.700 8.744 -8.319 21 HB2 ARG 4 HB2 ARG 4 -21.169 11.502 -7.207 22 HB3 ARG 4 HB3 ARG 4 -19.594 10.956 -7.758 23 HG2 ARG 4 HG2 ARG 4 -20.206 10.961 -9.962 24 HG3 ARG 4 HG3 ARG 4 -21.917 10.721 -9.601 25 HD2 ARG 4 HD2 ARG 4 -21.131 13.035 -10.439 26 HD3 ARG 4 HD3 ARG 4 -22.253 12.951 -9.083 27 HE ARG 4 HE ARG 4 -20.517 13.548 -7.614 28 HH11 ARG 4 HH11 ARG 4 -19.473 13.453 -10.956 29 HH12 ARG 4 HH12 ARG 4 -18.097 14.477 -10.691 30 HH21 ARG 4 HH21 ARG 4 -18.711 14.903 -7.263 31 HH22 ARG 4 HH22 ARG 4 -17.653 15.291 -8.582 32 H ARG 5 H ARG 5 -18.656 9.817 -6.777 33 HA ARG 5 HA ARG 5 -18.525 8.042 -4.580 34 HB2 ARG 5 HB2 ARG 5 -16.334 8.860 -4.253 35 HB3 ARG 5 HB3 ARG 5 -16.600 8.917 -5.981 36 HG2 ARG 5 HG2 ARG 5 -16.451 11.194 -4.031 37 HG3 ARG 5 HG3 ARG 5 -15.435 10.881 -5.434 38 HD2 ARG 5 HD2 ARG 5 -17.267 11.423 -6.921 39 HD3 ARG 5 HD3 ARG 5 -18.365 11.599 -5.549 40 HE ARG 5 HE ARG 5 -16.112 13.402 -6.170 41 HH11 ARG 5 HH11 ARG 5 -19.218 12.792 -4.655 42 HH12 ARG 5 HH12 ARG 5 -19.429 14.431 -4.147 43 HH21 ARG 5 HH21 ARG 5 -16.402 15.561 -5.490 44 HH22 ARG 5 HH22 ARG 5 -17.835 16.002 -4.613 45 H ALA 6 H ALA 6 -20.691 8.941 -3.753 46 HA ALA 6 HA ALA 6 -20.394 11.377 -2.186 47 HB1 ALA 6 HB1 ALA 6 -22.781 11.195 -1.805 48 HB2 ALA 6 HB2 ALA 6 -22.801 9.658 -2.681 49 HB3 ALA 6 HB3 ALA 6 -22.388 11.155 -3.528 50 HA PRO 7 HA PRO 7 -20.155 8.916 1.543 51 HB2 PRO 7 HB2 PRO 7 -19.726 11.455 2.827 52 HB3 PRO 7 HB3 PRO 7 -18.629 10.080 2.703 53 HG2 PRO 7 HG2 PRO 7 -18.153 12.420 1.437 54 HG3 PRO 7 HG3 PRO 7 -17.701 10.857 0.726 55 HD2 PRO 7 HD2 PRO 7 -20.139 12.536 0.184 56 HD3 PRO 7 HD3 PRO 7 -19.032 11.752 -0.972 57 H THR 8 H THR 8 -22.170 8.396 2.188 58 HA THR 8 HA THR 8 -23.191 10.334 4.125 59 HB THR 8 HB THR 8 -25.045 8.426 2.676 60 HG1 THR 8 HG1 THR 8 -24.125 10.950 1.957 61 HG21 THR 8 HG21 THR 8 -26.794 9.831 3.677 62 HG22 THR 8 HG22 THR 8 -25.559 10.823 4.447 63 HG23 THR 8 HG23 THR 8 -25.751 9.135 4.917 64 H TRP 9 H TRP 9 -22.118 9.376 5.798 65 HA TRP 9 HA TRP 9 -22.640 6.532 6.266 66 HB2 TRP 9 HB2 TRP 9 -19.878 7.766 6.308 67 HB3 TRP 9 HB3 TRP 9 -20.269 6.106 6.730 68 HD1 TRP 9 HD1 TRP 9 -19.839 8.420 3.734 69 HE1 TRP 9 HE1 TRP 9 -19.667 7.002 1.594 70 HE3 TRP 9 HE3 TRP 9 -20.958 3.828 5.694 71 HZ2 TRP 9 HZ2 TRP 9 -19.930 4.315 0.844 72 HZ3 TRP 9 HZ3 TRP 9 -20.971 1.878 4.181 73 HH2 TRP 9 HH2 TRP 9 -20.468 2.123 1.808 74 H SER 10 H SER 10 -21.920 5.833 8.388 75 HA SER 10 HA SER 10 -21.452 7.880 10.386 76 HB2 SER 10 HB2 SER 10 -23.224 6.865 11.849 77 HB3 SER 10 HB3 SER 10 -23.885 7.662 10.424 78 HG SER 10 HG SER 10 -24.894 5.763 10.386 79 HA PRO 11 HA PRO 11 -18.814 4.714 12.203 80 HB2 PRO 11 HB2 PRO 11 -20.498 4.808 14.663 81 HB3 PRO 11 HB3 PRO 11 -18.745 4.952 14.495 82 HG2 PRO 11 HG2 PRO 11 -20.244 7.099 14.978 83 HG3 PRO 11 HG3 PRO 11 -18.850 7.185 13.886 84 HD2 PRO 11 HD2 PRO 11 -21.760 7.121 13.241 85 HD3 PRO 11 HD3 PRO 11 -20.438 7.974 12.418 86 H GLU 12 H GLU 12 -22.268 4.482 12.678 87 HA GLU 12 HA GLU 12 -22.393 1.656 13.021 88 HB2 GLU 12 HB2 GLU 12 -24.133 3.077 13.900 89 HB3 GLU 12 HB3 GLU 12 -24.460 3.737 12.307 90 HG2 GLU 12 HG2 GLU 12 -25.247 1.530 11.577 91 HG3 GLU 12 HG3 GLU 12 -24.973 0.914 13.210 92 H GLU 13 H GLU 13 -22.918 3.858 10.261 93 HA GLU 13 HA GLU 13 -23.784 1.845 8.474 94 HB2 GLU 13 HB2 GLU 13 -24.071 4.367 8.212 95 HB3 GLU 13 HB3 GLU 13 -22.412 4.386 7.626 96 HG2 GLU 13 HG2 GLU 13 -23.911 4.341 5.754 97 HG3 GLU 13 HG3 GLU 13 -23.047 2.806 5.845 98 H GLU 14 H GLU 14 -20.573 3.206 9.143 99 HA GLU 14 HA GLU 14 -19.363 1.621 7.082 100 HB2 GLU 14 HB2 GLU 14 -18.101 3.178 9.342 101 HB3 GLU 14 HB3 GLU 14 -17.205 2.389 8.046 102 HG2 GLU 14 HG2 GLU 14 -18.630 3.793 6.455 103 HG3 GLU 14 HG3 GLU 14 -19.065 4.732 7.879 104 H ALA 15 H ALA 15 -20.150 1.147 10.431 105 HA ALA 15 HA ALA 15 -18.643 -1.260 10.751 106 HB1 ALA 15 HB1 ALA 15 -20.097 -1.710 12.654 107 HB2 ALA 15 HB2 ALA 15 -21.179 -0.413 12.148 108 HB3 ALA 15 HB3 ALA 15 -19.541 -0.036 12.680 109 H HIS 16 H HIS 16 -21.584 -0.376 9.260 110 HA HIS 16 HA HIS 16 -22.544 -3.033 8.776 111 HB2 HIS 16 HB2 HIS 16 -24.133 -1.193 9.027 112 HB3 HIS 16 HB3 HIS 16 -23.386 -0.329 7.690 113 HD1 HIS 16 HD1 HIS 16 -25.399 -0.248 6.186 114 HD2 HIS 16 HD2 HIS 16 -24.431 -4.101 7.428 115 HE1 HIS 16 HE1 HIS 16 -26.837 -1.805 4.809 116 HE2 HIS 16 HE2 HIS 16 -26.379 -4.101 5.733 117 H LEU 17 H LEU 17 -20.455 -0.719 7.295 118 HA LEU 17 HA LEU 17 -20.417 -1.876 4.685 119 HB2 LEU 17 HB2 LEU 17 -19.714 0.457 5.175 120 HB3 LEU 17 HB3 LEU 17 -18.340 -0.170 6.066 121 HG LEU 17 HG LEU 17 -17.579 -1.276 3.940 122 HD11 LEU 17 HD11 LEU 17 -19.788 0.415 2.798 123 HD12 LEU 17 HD12 LEU 17 -19.625 -1.340 2.708 124 HD13 LEU 17 HD13 LEU 17 -18.489 -0.301 1.850 125 HD21 LEU 17 HD21 LEU 17 -17.829 1.725 3.940 126 HD22 LEU 17 HD22 LEU 17 -16.686 0.786 2.980 127 HD23 LEU 17 HD23 LEU 17 -16.572 0.782 4.740 128 H ARG 18 H ARG 18 -18.286 -2.013 7.530 129 HA ARG 18 HA ARG 18 -16.667 -4.091 6.511 130 HB2 ARG 18 HB2 ARG 18 -15.827 -4.345 8.764 131 HB3 ARG 18 HB3 ARG 18 -15.980 -2.635 8.405 132 HG2 ARG 18 HG2 ARG 18 -18.221 -2.769 9.611 133 HG3 ARG 18 HG3 ARG 18 -17.657 -4.327 10.214 134 HD2 ARG 18 HD2 ARG 18 -16.141 -1.742 10.529 135 HD3 ARG 18 HD3 ARG 18 -17.233 -2.394 11.745 136 HE ARG 18 HE ARG 18 -15.102 -4.181 10.920 137 HH11 ARG 18 HH11 ARG 18 -16.179 -1.737 13.185 138 HH12 ARG 18 HH12 ARG 18 -15.018 -2.156 14.401 139 HH21 ARG 18 HH21 ARG 18 -13.569 -4.750 12.538 140 HH22 ARG 18 HH22 ARG 18 -13.545 -3.884 14.040 141 H GLU 19 H GLU 19 -19.695 -3.944 8.245 142 HA GLU 19 HA GLU 19 -20.083 -6.521 9.051 143 HB2 GLU 19 HB2 GLU 19 -21.710 -4.814 9.518 144 HB3 GLU 19 HB3 GLU 19 -22.064 -4.627 7.808 145 HG2 GLU 19 HG2 GLU 19 -23.833 -5.831 8.896 146 HG3 GLU 19 HG3 GLU 19 -22.993 -6.881 7.761 147 H LEU 20 H LEU 20 -21.000 -5.175 5.893 148 HA LEU 20 HA LEU 20 -21.736 -7.636 4.731 149 HB2 LEU 20 HB2 LEU 20 -21.553 -4.871 3.958 150 HB3 LEU 20 HB3 LEU 20 -20.943 -5.901 2.677 151 HG LEU 20 HG LEU 20 -23.624 -6.373 3.951 152 HD11 LEU 20 HD11 LEU 20 -23.578 -4.102 3.051 153 HD12 LEU 20 HD12 LEU 20 -24.618 -5.161 2.098 154 HD13 LEU 20 HD13 LEU 20 -23.016 -4.731 1.502 155 HD21 LEU 20 HD21 LEU 20 -22.659 -8.231 2.715 156 HD22 LEU 20 HD22 LEU 20 -22.419 -7.189 1.314 157 HD23 LEU 20 HD23 LEU 20 -24.052 -7.567 1.862 158 H TYR 21 H TYR 21 -18.677 -5.941 4.923 159 HA TYR 21 HA TYR 21 -17.359 -7.405 2.875 160 HB2 TYR 21 HB2 TYR 21 -16.535 -5.226 3.628 161 HB3 TYR 21 HB3 TYR 21 -16.243 -5.871 5.236 162 HD1 TYR 21 HD1 TYR 21 -13.924 -5.253 5.254 163 HD2 TYR 21 HD2 TYR 21 -15.425 -7.786 2.189 164 HE1 TYR 21 HE1 TYR 21 -11.625 -5.838 4.631 165 HE2 TYR 21 HE2 TYR 21 -13.123 -8.378 1.549 166 HH TYR 21 HH TYR 21 -10.856 -7.465 1.736 167 H LEU 22 H LEU 22 -17.406 -7.636 6.397 168 HA LEU 22 HA LEU 22 -15.706 -9.872 6.606 169 HB2 LEU 22 HB2 LEU 22 -17.923 -9.131 8.506 170 HB3 LEU 22 HB3 LEU 22 -16.456 -10.013 8.872 171 HG LEU 22 HG LEU 22 -16.547 -7.123 8.037 172 HD11 LEU 22 HD11 LEU 22 -16.152 -8.305 10.773 173 HD12 LEU 22 HD12 LEU 22 -17.595 -7.465 10.204 174 HD13 LEU 22 HD13 LEU 22 -16.068 -6.596 10.346 175 HD21 LEU 22 HD21 LEU 22 -14.275 -8.750 9.154 176 HD22 LEU 22 HD22 LEU 22 -14.235 -7.043 8.701 177 HD23 LEU 22 HD23 LEU 22 -14.461 -8.280 7.464 178 H ALA 23 H ALA 23 -19.125 -9.553 5.994 179 HA ALA 23 HA ALA 23 -19.742 -12.301 6.529 180 HB1 ALA 23 HB1 ALA 23 -21.407 -10.511 6.794 181 HB2 ALA 23 HB2 ALA 23 -21.955 -11.779 5.698 182 HB3 ALA 23 HB3 ALA 23 -21.376 -10.243 5.052 183 H ASN 24 H ASN 24 -18.888 -10.429 3.672 184 HA ASN 24 HA ASN 24 -19.432 -12.783 2.011 185 HB2 ASN 24 HB2 ASN 24 -19.469 -9.843 1.458 186 HB3 ASN 24 HB3 ASN 24 -19.219 -10.975 0.138 187 HD21 ASN 24 HD21 ASN 24 -21.433 -9.906 2.602 188 HD22 ASN 24 HD22 ASN 24 -22.849 -10.622 1.915 189 H LYS 25 H LYS 25 -16.873 -11.555 3.568 190 HA LYS 25 HA LYS 25 -14.934 -11.993 1.452 191 HB2 LYS 25 HB2 LYS 25 -13.243 -11.579 3.114 192 HB3 LYS 25 HB3 LYS 25 -14.505 -10.370 3.304 193 HG2 LYS 25 HG2 LYS 25 -15.433 -11.651 5.185 194 HG3 LYS 25 HG3 LYS 25 -14.135 -12.832 5.002 195 HD2 LYS 25 HD2 LYS 25 -13.764 -9.901 5.628 196 HD3 LYS 25 HD3 LYS 25 -13.680 -11.217 6.799 197 HE2 LYS 25 HE2 LYS 25 -11.869 -10.844 4.415 198 HE3 LYS 25 HE3 LYS 25 -11.454 -10.507 6.094 199 HZ1 LYS 25 HZ1 LYS 25 -11.688 -12.834 6.611 200 HZ2 LYS 25 HZ2 LYS 25 -10.609 -12.657 5.324 201 HZ3 LYS 25 HZ3 LYS 25 -12.187 -13.184 5.034 202 H ASP 26 H ASP 26 -16.792 -13.838 3.509 203 HA ASP 26 HA ASP 26 -14.946 -15.918 4.149 204 HB2 ASP 26 HB2 ASP 26 -16.978 -15.384 5.490 205 HB3 ASP 26 HB3 ASP 26 -17.968 -15.997 4.171 206 H VAL 27 H VAL 27 -17.245 -15.324 1.595 207 HA VAL 27 HA VAL 27 -17.009 -17.893 0.365 208 HB VAL 27 HB VAL 27 -19.027 -16.620 -0.008 209 HG11 VAL 27 HG11 VAL 27 -19.027 -14.534 -1.262 210 HG12 VAL 27 HG12 VAL 27 -17.264 -14.544 -1.251 211 HG13 VAL 27 HG13 VAL 27 -18.154 -14.406 0.263 212 HG21 VAL 27 HG21 VAL 27 -17.405 -16.778 -2.543 213 HG22 VAL 27 HG22 VAL 27 -19.162 -16.651 -2.451 214 HG23 VAL 27 HG23 VAL 27 -18.347 -18.084 -1.825 215 H GLU 28 H GLU 28 -15.744 -18.440 -1.433 216 HA GLU 28 HA GLU 28 -13.373 -16.725 -1.663 217 HB2 GLU 28 HB2 GLU 28 -13.627 -19.700 -2.122 218 HB3 GLU 28 HB3 GLU 28 -12.135 -18.768 -2.143 219 HG2 GLU 28 HG2 GLU 28 -12.248 -18.339 0.167 220 HG3 GLU 28 HG3 GLU 28 -13.918 -18.897 0.267 221 H GLY 29 H GLY 29 -12.585 -16.104 -3.599 222 HA2 GLY 29 HA2 GLY 29 -12.312 -15.938 -5.878 223 HA3 GLY 29 HA3 GLY 29 -13.251 -17.412 -6.053 224 H GLN 30 H GLN 30 -14.644 -14.826 -4.283 225 HA GLN 30 HA GLN 30 -16.469 -14.314 -6.522 226 HB2 GLN 30 HB2 GLN 30 -17.910 -15.110 -4.965 227 HB3 GLN 30 HB3 GLN 30 -16.811 -14.794 -3.641 228 HG2 GLN 30 HG2 GLN 30 -18.251 -12.514 -4.901 229 HG3 GLN 30 HG3 GLN 30 -19.116 -13.585 -3.800 230 HE21 GLN 30 HE21 GLN 30 -19.376 -12.042 -2.198 231 HE22 GLN 30 HE22 GLN 30 -18.049 -11.436 -1.277 232 H ASP 31 H ASP 31 -17.373 -12.088 -6.641 233 HA ASP 31 HA ASP 31 -15.366 -10.065 -6.180 234 HB2 ASP 31 HB2 ASP 31 -18.194 -9.898 -7.234 235 HB3 ASP 31 HB3 ASP 31 -17.117 -8.511 -7.103 236 H VAL 32 H VAL 32 -15.111 -9.790 -3.996 237 HA VAL 32 HA VAL 32 -17.280 -9.743 -2.175 238 HB VAL 32 HB VAL 32 -14.881 -10.278 -1.589 239 HG11 VAL 32 HG11 VAL 32 -14.603 -7.276 -1.631 240 HG12 VAL 32 HG12 VAL 32 -13.766 -8.424 -2.677 241 HG13 VAL 32 HG13 VAL 32 -13.427 -8.398 -0.945 242 HG21 VAL 32 HG21 VAL 32 -15.031 -9.252 0.661 243 HG22 VAL 32 HG22 VAL 32 -16.538 -10.004 0.139 244 HG23 VAL 32 HG23 VAL 32 -16.361 -8.250 0.081 245 H VAL 33 H VAL 33 -15.667 -7.307 -4.063 246 HA VAL 33 HA VAL 33 -16.462 -5.020 -2.645 247 HB VAL 33 HB VAL 33 -16.316 -4.850 -5.595 248 HG11 VAL 33 HG11 VAL 33 -15.096 -3.271 -3.355 249 HG12 VAL 33 HG12 VAL 33 -16.497 -2.831 -4.325 250 HG13 VAL 33 HG13 VAL 33 -14.901 -2.905 -5.068 251 HG21 VAL 33 HG21 VAL 33 -14.647 -6.469 -5.401 252 HG22 VAL 33 HG22 VAL 33 -14.049 -5.794 -3.889 253 HG23 VAL 33 HG23 VAL 33 -13.775 -4.935 -5.405 254 H GLU 34 H GLU 34 -17.891 -6.544 -5.539 255 HA GLU 34 HA GLU 34 -20.136 -4.865 -5.649 256 HB2 GLU 34 HB2 GLU 34 -19.553 -7.568 -6.805 257 HB3 GLU 34 HB3 GLU 34 -21.144 -6.834 -6.982 258 HG2 GLU 34 HG2 GLU 34 -20.092 -4.866 -8.010 259 HG3 GLU 34 HG3 GLU 34 -18.527 -5.675 -7.907 260 H ALA 35 H ALA 35 -19.567 -7.883 -3.930 261 HA ALA 35 HA ALA 35 -22.177 -8.453 -3.134 262 HB1 ALA 35 HB1 ALA 35 -19.655 -8.805 -1.510 263 HB2 ALA 35 HB2 ALA 35 -20.268 -9.944 -2.709 264 HB3 ALA 35 HB3 ALA 35 -21.193 -9.629 -1.240 265 H ILE 36 H ILE 36 -19.731 -6.439 -1.561 266 HA ILE 36 HA ILE 36 -21.438 -5.457 0.469 267 HB ILE 36 HB ILE 36 -19.002 -4.099 -0.686 268 HG12 ILE 36 HG12 ILE 36 -19.100 -6.039 1.626 269 HG13 ILE 36 HG13 ILE 36 -18.691 -6.526 -0.017 270 HG21 ILE 36 HG21 ILE 36 -20.340 -2.697 0.793 271 HG22 ILE 36 HG22 ILE 36 -18.810 -3.128 1.558 272 HG23 ILE 36 HG23 ILE 36 -20.297 -3.947 2.035 273 HD11 ILE 36 HD11 ILE 36 -16.808 -4.937 0.029 274 HD12 ILE 36 HD12 ILE 36 -16.690 -6.207 1.245 275 HD13 ILE 36 HD13 ILE 36 -17.199 -4.584 1.710 276 H LEU 37 H LEU 37 -20.119 -3.828 -2.391 277 HA LEU 37 HA LEU 37 -21.376 -1.433 -2.406 278 HB2 LEU 37 HB2 LEU 37 -20.626 -3.312 -4.581 279 HB3 LEU 37 HB3 LEU 37 -21.475 -1.848 -5.004 280 HG LEU 37 HG LEU 37 -18.942 -1.721 -3.396 281 HD11 LEU 37 HD11 LEU 37 -19.169 -1.882 -6.399 282 HD12 LEU 37 HD12 LEU 37 -18.463 -3.115 -5.353 283 HD13 LEU 37 HD13 LEU 37 -17.704 -1.528 -5.485 284 HD21 LEU 37 HD21 LEU 37 -18.847 0.484 -4.237 285 HD22 LEU 37 HD22 LEU 37 -20.542 0.234 -3.807 286 HD23 LEU 37 HD23 LEU 37 -20.035 0.139 -5.489 287 H ALA 38 H ALA 38 -22.815 -4.463 -3.527 288 HA ALA 38 HA ALA 38 -25.071 -3.056 -4.664 289 HB1 ALA 38 HB1 ALA 38 -24.523 -6.005 -4.566 290 HB2 ALA 38 HB2 ALA 38 -23.946 -4.916 -5.826 291 HB3 ALA 38 HB3 ALA 38 -25.679 -5.173 -5.605 292 H HIS 39 H HIS 39 -24.405 -4.747 -1.692 293 HA HIS 39 HA HIS 39 -27.241 -5.315 -1.345 294 HB2 HIS 39 HB2 HIS 39 -24.810 -6.136 0.200 295 HB3 HIS 39 HB3 HIS 39 -26.426 -6.332 0.872 296 HD1 HIS 39 HD1 HIS 39 -27.976 -8.087 -0.251 297 HD2 HIS 39 HD2 HIS 39 -24.158 -7.900 -1.877 298 HE1 HIS 39 HE1 HIS 39 -27.736 -10.162 -1.649 299 HE2 HIS 39 HE2 HIS 39 -25.488 -9.931 -2.767 300 H LEU 40 H LEU 40 -24.865 -3.029 -0.047 301 HA LEU 40 HA LEU 40 -26.965 -2.170 1.796 302 HB2 LEU 40 HB2 LEU 40 -25.446 -0.990 3.075 303 HB3 LEU 40 HB3 LEU 40 -24.559 -2.411 2.594 304 HG LEU 40 HG LEU 40 -24.223 0.244 1.206 305 HD11 LEU 40 HD11 LEU 40 -23.731 0.522 3.584 306 HD12 LEU 40 HD12 LEU 40 -22.271 0.617 2.597 307 HD13 LEU 40 HD13 LEU 40 -22.625 -0.851 3.512 308 HD21 LEU 40 HD21 LEU 40 -22.036 -0.702 0.603 309 HD22 LEU 40 HD22 LEU 40 -23.381 -1.646 -0.044 310 HD23 LEU 40 HD23 LEU 40 -22.500 -2.219 1.375 311 H ASN 41 H ASN 41 -28.391 -1.416 0.253 312 HA ASN 41 HA ASN 41 -27.601 0.768 -1.490 313 HB2 ASN 41 HB2 ASN 41 -30.334 -0.443 -0.998 314 HB3 ASN 41 HB3 ASN 41 -29.930 0.689 -2.283 315 HD21 ASN 41 HD21 ASN 41 -28.529 -0.015 -3.962 316 HD22 ASN 41 HD22 ASN 41 -28.363 -1.699 -4.329 317 H THR 42 H THR 42 -27.223 1.296 1.185 318 HA THR 42 HA THR 42 -29.406 2.972 2.118 319 HB THR 42 HB THR 42 -28.335 1.515 3.749 320 HG1 THR 42 HG1 THR 42 -27.398 3.364 5.146 321 HG21 THR 42 HG21 THR 42 -25.774 3.004 3.149 322 HG22 THR 42 HG22 THR 42 -26.135 1.351 2.649 323 HG23 THR 42 HG23 THR 42 -25.989 1.738 4.364 324 H VAL 43 H VAL 43 -26.293 3.192 0.618 325 HA VAL 43 HA VAL 43 -26.445 6.112 0.672 326 HB VAL 43 HB VAL 43 -24.907 5.587 2.450 327 HG11 VAL 43 HG11 VAL 43 -23.375 3.924 0.474 328 HG12 VAL 43 HG12 VAL 43 -24.370 3.298 1.785 329 HG13 VAL 43 HG13 VAL 43 -22.922 4.238 2.147 330 HG21 VAL 43 HG21 VAL 43 -22.883 6.687 1.684 331 HG22 VAL 43 HG22 VAL 43 -24.310 7.475 1.009 332 HG23 VAL 43 HG23 VAL 43 -23.345 6.395 0.008 333 HA PRO 44 HA PRO 44 -25.484 5.384 -3.633 334 HB2 PRO 44 HB2 PRO 44 -25.652 7.937 -4.448 335 HB3 PRO 44 HB3 PRO 44 -27.090 7.000 -4.027 336 HG2 PRO 44 HG2 PRO 44 -25.627 9.048 -2.413 337 HG3 PRO 44 HG3 PRO 44 -27.370 8.798 -2.585 338 HD2 PRO 44 HD2 PRO 44 -25.892 7.910 -0.451 339 HD3 PRO 44 HD3 PRO 44 -27.419 7.178 -0.977 340 H ARG 45 H ARG 45 -23.345 4.744 -3.541 341 HA ARG 45 HA ARG 45 -21.384 6.852 -3.934 342 HB2 ARG 45 HB2 ARG 45 -19.891 5.342 -2.302 343 HB3 ARG 45 HB3 ARG 45 -20.843 6.706 -1.727 344 HG2 ARG 45 HG2 ARG 45 -21.452 5.104 -0.221 345 HG3 ARG 45 HG3 ARG 45 -22.697 4.860 -1.449 346 HD2 ARG 45 HD2 ARG 45 -20.896 3.231 -2.442 347 HD3 ARG 45 HD3 ARG 45 -20.334 3.211 -0.772 348 HE ARG 45 HE ARG 45 -22.461 2.333 -0.118 349 HH11 ARG 45 HH11 ARG 45 -21.849 2.358 -3.573 350 HH12 ARG 45 HH12 ARG 45 -22.959 1.068 -3.900 351 HH21 ARG 45 HH21 ARG 45 -23.945 0.638 -0.576 352 HH22 ARG 45 HH22 ARG 45 -24.121 0.075 -2.208 353 H THR 46 H THR 46 -19.546 6.224 -5.045 354 HA THR 46 HA THR 46 -20.059 4.244 -7.001 355 HB THR 46 HB THR 46 -18.884 6.342 -7.514 356 HG1 THR 46 HG1 THR 46 -17.926 5.304 -9.085 357 HG21 THR 46 HG21 THR 46 -16.538 6.647 -6.880 358 HG22 THR 46 HG22 THR 46 -16.593 5.159 -5.935 359 HG23 THR 46 HG23 THR 46 -17.567 6.544 -5.451 360 H ARG 47 H ARG 47 -18.166 2.811 -7.725 361 HA ARG 47 HA ARG 47 -17.877 0.658 -5.978 362 HB2 ARG 47 HB2 ARG 47 -16.747 1.477 -8.587 363 HB3 ARG 47 HB3 ARG 47 -15.820 0.279 -7.700 364 HG2 ARG 47 HG2 ARG 47 -17.435 -0.653 -9.348 365 HG3 ARG 47 HG3 ARG 47 -17.629 -1.253 -7.702 366 HD2 ARG 47 HD2 ARG 47 -19.801 -0.823 -8.594 367 HD3 ARG 47 HD3 ARG 47 -19.458 0.413 -7.390 368 HE ARG 47 HE ARG 47 -18.718 1.641 -9.649 369 HH11 ARG 47 HH11 ARG 47 -21.589 -0.234 -8.918 370 HH12 ARG 47 HH12 ARG 47 -22.621 0.723 -9.936 371 HH21 ARG 47 HH21 ARG 47 -20.082 2.900 -10.976 372 HH22 ARG 47 HH22 ARG 47 -21.767 2.501 -11.102 373 H LYS 48 H LYS 48 -15.754 3.351 -6.677 374 HA LYS 48 HA LYS 48 -13.456 2.487 -5.343 375 HB2 LYS 48 HB2 LYS 48 -12.790 4.334 -6.413 376 HB3 LYS 48 HB3 LYS 48 -14.439 4.912 -6.568 377 HG2 LYS 48 HG2 LYS 48 -14.289 5.884 -4.314 378 HG3 LYS 48 HG3 LYS 48 -12.621 5.330 -4.206 379 HD2 LYS 48 HD2 LYS 48 -11.958 6.763 -6.012 380 HD3 LYS 48 HD3 LYS 48 -13.635 7.189 -6.354 381 HE2 LYS 48 HE2 LYS 48 -13.825 8.337 -4.251 382 HE3 LYS 48 HE3 LYS 48 -12.214 7.804 -3.770 383 HZ1 LYS 48 HZ1 LYS 48 -12.790 9.578 -6.085 384 HZ2 LYS 48 HZ2 LYS 48 -11.262 9.126 -5.526 385 HZ3 LYS 48 HZ3 LYS 48 -12.253 10.106 -4.573 386 H GLN 49 H GLN 49 -16.451 3.651 -4.088 387 HA GLN 49 HA GLN 49 -15.372 4.771 -1.685 388 HB2 GLN 49 HB2 GLN 49 -18.189 4.167 -2.565 389 HB3 GLN 49 HB3 GLN 49 -17.800 4.910 -1.016 390 HG2 GLN 49 HG2 GLN 49 -16.834 6.059 -3.609 391 HG3 GLN 49 HG3 GLN 49 -18.408 6.464 -2.941 392 HE21 GLN 49 HE21 GLN 49 -18.545 7.743 -1.132 393 HE22 GLN 49 HE22 GLN 49 -17.187 8.616 -0.506 394 H ILE 50 H ILE 50 -16.946 1.675 -2.493 395 HA ILE 50 HA ILE 50 -16.963 0.698 0.165 396 HB ILE 50 HB ILE 50 -17.243 -0.554 -2.512 397 HG12 ILE 50 HG12 ILE 50 -19.131 -1.680 -1.395 398 HG13 ILE 50 HG13 ILE 50 -18.639 -0.980 0.136 399 HG21 ILE 50 HG21 ILE 50 -17.009 -2.833 -1.682 400 HG22 ILE 50 HG22 ILE 50 -16.475 -2.220 -0.117 401 HG23 ILE 50 HG23 ILE 50 -15.482 -1.960 -1.553 402 HD11 ILE 50 HD11 ILE 50 -20.504 0.214 -0.821 403 HD12 ILE 50 HD12 ILE 50 -19.568 0.525 -2.279 404 HD13 ILE 50 HD13 ILE 50 -19.076 1.248 -0.748 405 H ILE 51 H ILE 51 -14.620 0.361 -2.482 406 HA ILE 51 HA ILE 51 -12.695 -1.133 -1.104 407 HB ILE 51 HB ILE 51 -12.198 0.963 -3.229 408 HG12 ILE 51 HG12 ILE 51 -12.711 -2.008 -3.513 409 HG13 ILE 51 HG13 ILE 51 -13.840 -0.732 -3.955 410 HG21 ILE 51 HG21 ILE 51 -10.539 -1.389 -2.334 411 HG22 ILE 51 HG22 ILE 51 -10.179 0.315 -2.054 412 HG23 ILE 51 HG23 ILE 51 -10.169 -0.331 -3.696 413 HD11 ILE 51 HD11 ILE 51 -11.137 -1.172 -5.193 414 HD12 ILE 51 HD12 ILE 51 -12.319 0.050 -5.668 415 HD13 ILE 51 HD13 ILE 51 -12.679 -1.663 -5.885 416 H HIS 52 H HIS 52 -13.085 2.345 -1.492 417 HA HIS 52 HA HIS 52 -10.796 3.254 -0.277 418 HB2 HIS 52 HB2 HIS 52 -13.301 4.358 -1.124 419 HB3 HIS 52 HB3 HIS 52 -12.861 5.056 0.433 420 HD1 HIS 52 HD1 HIS 52 -11.796 7.234 -0.011 421 HD2 HIS 52 HD2 HIS 52 -10.613 4.358 -2.762 422 HE1 HIS 52 HE1 HIS 52 -9.999 8.318 -1.383 423 HE2 HIS 52 HE2 HIS 52 -9.162 6.500 -2.902 424 H HIS 53 H HIS 53 -13.977 2.911 1.324 425 HA HIS 53 HA HIS 53 -12.914 3.804 3.808 426 HB2 HIS 53 HB2 HIS 53 -15.508 2.321 3.379 427 HB3 HIS 53 HB3 HIS 53 -15.090 3.360 4.736 428 HD1 HIS 53 HD1 HIS 53 -13.894 5.683 2.931 429 HD2 HIS 53 HD2 HIS 53 -17.612 3.873 2.462 430 HE1 HIS 53 HE1 HIS 53 -15.258 7.297 1.589 431 HE2 HIS 53 HE2 HIS 53 -17.579 6.322 1.630 432 H LEU 54 H LEU 54 -13.115 0.700 2.325 433 HA LEU 54 HA LEU 54 -13.028 -0.789 4.780 434 HB2 LEU 54 HB2 LEU 54 -12.692 -1.571 1.895 435 HB3 LEU 54 HB3 LEU 54 -12.490 -2.718 3.207 436 HG LEU 54 HG LEU 54 -15.022 -1.148 2.717 437 HD11 LEU 54 HD11 LEU 54 -14.416 -4.018 2.017 438 HD12 LEU 54 HD12 LEU 54 -14.504 -2.690 0.859 439 HD13 LEU 54 HD13 LEU 54 -15.937 -3.163 1.764 440 HD21 LEU 54 HD21 LEU 54 -14.771 -1.858 5.024 441 HD22 LEU 54 HD22 LEU 54 -14.399 -3.500 4.507 442 HD23 LEU 54 HD23 LEU 54 -16.008 -2.834 4.232 443 H VAL 55 H VAL 55 -10.645 -0.032 2.223 444 HA VAL 55 HA VAL 55 -8.530 -1.254 3.725 445 HB VAL 55 HB VAL 55 -6.995 -0.343 2.086 446 HG11 VAL 55 HG11 VAL 55 -8.196 -2.355 1.492 447 HG12 VAL 55 HG12 VAL 55 -7.925 -1.363 0.060 448 HG13 VAL 55 HG13 VAL 55 -9.515 -1.396 0.822 449 HG21 VAL 55 HG21 VAL 55 -7.972 1.874 1.792 450 HG22 VAL 55 HG22 VAL 55 -9.355 1.160 0.959 451 HG23 VAL 55 HG23 VAL 55 -7.747 1.065 0.241 452 H GLN 56 H GLN 56 -10.078 1.800 3.713 453 HA GLN 56 HA GLN 56 -7.971 3.197 5.058 454 HB2 GLN 56 HB2 GLN 56 -10.815 3.832 4.384 455 HB3 GLN 56 HB3 GLN 56 -9.932 4.848 5.506 456 HG2 GLN 56 HG2 GLN 56 -8.225 5.254 3.798 457 HG3 GLN 56 HG3 GLN 56 -9.117 4.228 2.678 458 HE21 GLN 56 HE21 GLN 56 -9.366 5.876 1.212 459 HE22 GLN 56 HE22 GLN 56 -10.432 7.209 1.483 460 H MET 57 H MET 57 -10.775 1.324 6.066 461 HA MET 57 HA MET 57 -10.443 2.159 8.808 462 HB2 MET 57 HB2 MET 57 -12.256 0.133 7.531 463 HB3 MET 57 HB3 MET 57 -12.154 0.333 9.273 464 HG2 MET 57 HG2 MET 57 -12.787 2.725 8.954 465 HG3 MET 57 HG3 MET 57 -13.065 2.364 7.252 466 HE1 MET 57 HE1 MET 57 -14.764 0.613 6.398 467 HE2 MET 57 HE2 MET 57 -16.107 -0.040 7.334 468 HE3 MET 57 HE3 MET 57 -14.487 -0.699 7.547 469 H GLY 58 H GLY 58 -8.687 0.264 6.888 470 HA2 GLY 58 HA2 GLY 58 -6.871 -1.043 7.387 471 HA3 GLY 58 HA3 GLY 58 -7.166 -0.692 9.081 472 H LEU 59 H LEU 59 -9.757 -2.132 7.282 473 HA LEU 59 HA LEU 59 -9.163 -4.663 8.630 474 HB2 LEU 59 HB2 LEU 59 -11.475 -5.187 8.591 475 HB3 LEU 59 HB3 LEU 59 -11.336 -3.545 9.183 476 HG LEU 59 HG LEU 59 -11.876 -4.012 6.286 477 HD11 LEU 59 HD11 LEU 59 -13.858 -4.153 8.551 478 HD12 LEU 59 HD12 LEU 59 -13.554 -5.381 7.323 479 HD13 LEU 59 HD13 LEU 59 -14.321 -3.849 6.880 480 HD21 LEU 59 HD21 LEU 59 -13.256 -1.963 6.644 481 HD22 LEU 59 HD22 LEU 59 -11.518 -1.759 6.799 482 HD23 LEU 59 HD23 LEU 59 -12.523 -1.847 8.246 483 H ALA 60 H ALA 60 -9.114 -3.066 5.723 484 HA ALA 60 HA ALA 60 -8.921 -5.632 4.270 485 HB1 ALA 60 HB1 ALA 60 -9.436 -4.431 2.222 486 HB2 ALA 60 HB2 ALA 60 -9.582 -2.926 3.125 487 HB3 ALA 60 HB3 ALA 60 -10.728 -4.234 3.404 488 H ASP 61 H ASP 61 -7.348 -5.511 2.395 489 HA ASP 61 HA ASP 61 -4.832 -4.632 3.508 490 HB2 ASP 61 HB2 ASP 61 -5.563 -6.240 1.070 491 HB3 ASP 61 HB3 ASP 61 -3.908 -5.746 1.403 492 H SER 62 H SER 62 -6.230 -4.302 0.242 493 HA SER 62 HA SER 62 -5.285 -1.589 0.014 494 HB2 SER 62 HB2 SER 62 -4.029 -3.776 -1.655 495 HB3 SER 62 HB3 SER 62 -3.745 -2.050 -1.853 496 HG SER 62 HG SER 62 -3.238 -2.537 0.655 497 H VAL 63 H VAL 63 -5.730 -0.703 -2.162 498 HA VAL 63 HA VAL 63 -8.267 -1.347 -3.183 499 HB VAL 63 HB VAL 63 -5.971 0.214 -4.380 500 HG11 VAL 63 HG11 VAL 63 -7.377 -0.634 -6.182 501 HG12 VAL 63 HG12 VAL 63 -7.547 1.113 -6.007 502 HG13 VAL 63 HG13 VAL 63 -8.805 0.040 -5.394 503 HG21 VAL 63 HG21 VAL 63 -6.921 1.199 -2.375 504 HG22 VAL 63 HG22 VAL 63 -8.540 1.087 -3.063 505 HG23 VAL 63 HG23 VAL 63 -7.347 2.164 -3.789 506 H LYS 64 H LYS 64 -5.054 -2.334 -4.033 507 HA LYS 64 HA LYS 64 -5.367 -3.470 -6.538 508 HB2 LYS 64 HB2 LYS 64 -3.698 -4.630 -4.327 509 HB3 LYS 64 HB3 LYS 64 -3.381 -4.706 -6.047 510 HG2 LYS 64 HG2 LYS 64 -3.017 -2.274 -6.065 511 HG3 LYS 64 HG3 LYS 64 -3.272 -2.243 -4.323 512 HD2 LYS 64 HD2 LYS 64 -1.210 -4.094 -5.415 513 HD3 LYS 64 HD3 LYS 64 -0.843 -2.370 -5.375 514 HE2 LYS 64 HE2 LYS 64 -0.028 -3.018 -3.336 515 HE3 LYS 64 HE3 LYS 64 -1.673 -2.581 -2.891 516 HZ1 LYS 64 HZ1 LYS 64 -1.056 -4.674 -1.901 517 HZ2 LYS 64 HZ2 LYS 64 -0.668 -5.326 -3.411 518 HZ3 LYS 64 HZ3 LYS 64 -2.270 -4.935 -3.047 519 H ASP 65 H ASP 65 -5.797 -4.918 -3.349 520 HA ASP 65 HA ASP 65 -6.129 -7.578 -4.207 521 HB2 ASP 65 HB2 ASP 65 -5.480 -6.833 -1.903 522 HB3 ASP 65 HB3 ASP 65 -7.143 -6.319 -1.651 523 H PHE 66 H PHE 66 -8.275 -4.934 -4.299 524 HA PHE 66 HA PHE 66 -10.627 -6.411 -3.587 525 HB2 PHE 66 HB2 PHE 66 -9.938 -3.625 -4.208 526 HB3 PHE 66 HB3 PHE 66 -11.562 -4.108 -4.684 527 HD1 PHE 66 HD1 PHE 66 -9.238 -4.153 -1.792 528 HD2 PHE 66 HD2 PHE 66 -13.262 -4.097 -3.151 529 HE1 PHE 66 HE1 PHE 66 -10.010 -3.855 0.515 530 HE2 PHE 66 HE2 PHE 66 -14.045 -3.810 -0.863 531 HZ PHE 66 HZ PHE 66 -12.418 -3.680 1.000 532 H GLN 67 H GLN 67 -9.504 -4.920 -6.664 533 HA GLN 67 HA GLN 67 -11.031 -6.844 -8.126 534 HB2 GLN 67 HB2 GLN 67 -12.825 -5.533 -8.819 535 HB3 GLN 67 HB3 GLN 67 -12.634 -5.215 -7.090 536 HG2 GLN 67 HG2 GLN 67 -11.763 -3.094 -7.440 537 HG3 GLN 67 HG3 GLN 67 -11.430 -3.409 -9.146 538 HE21 GLN 67 HE21 GLN 67 -13.942 -2.838 -6.789 539 HE22 GLN 67 HE22 GLN 67 -15.159 -2.370 -7.916 540 H ARG 68 H ARG 68 -8.397 -4.835 -8.168 541 HA ARG 68 HA ARG 68 -8.606 -4.528 -11.078 542 HB2 ARG 68 HB2 ARG 68 -7.657 -2.273 -10.981 543 HB3 ARG 68 HB3 ARG 68 -9.207 -2.371 -10.160 544 HG2 ARG 68 HG2 ARG 68 -8.228 -2.198 -8.047 545 HG3 ARG 68 HG3 ARG 68 -6.618 -2.579 -8.666 546 HD2 ARG 68 HD2 ARG 68 -8.181 -0.105 -9.396 547 HD3 ARG 68 HD3 ARG 68 -6.957 -0.167 -8.127 548 HE ARG 68 HE ARG 68 -5.424 -0.929 -10.009 549 HH11 ARG 68 HH11 ARG 68 -8.132 1.252 -10.516 550 HH12 ARG 68 HH12 ARG 68 -7.398 2.047 -11.869 551 HH21 ARG 68 HH21 ARG 68 -4.469 0.118 -11.789 552 HH22 ARG 68 HH22 ARG 68 -5.309 1.396 -12.600 553 H LYS 69 H LYS 69 -6.495 -3.726 -12.017 554 HA LYS 69 HA LYS 69 -4.479 -5.603 -11.532 555 HB2 LYS 69 HB2 LYS 69 -4.792 -4.492 -13.690 556 HB3 LYS 69 HB3 LYS 69 -4.352 -2.948 -12.974 557 HG2 LYS 69 HG2 LYS 69 -2.100 -3.602 -12.706 558 HG3 LYS 69 HG3 LYS 69 -2.478 -5.296 -13.026 559 HD2 LYS 69 HD2 LYS 69 -1.394 -4.209 -14.951 560 HD3 LYS 69 HD3 LYS 69 -3.023 -4.768 -15.334 561 HE2 LYS 69 HE2 LYS 69 -3.848 -2.458 -14.940 562 HE3 LYS 69 HE3 LYS 69 -2.178 -1.939 -14.713 563 HZ1 LYS 69 HZ1 LYS 69 -1.674 -2.559 -16.960 564 HZ2 LYS 69 HZ2 LYS 69 -3.035 -1.551 -16.979 565 HZ3 LYS 69 HZ3 LYS 69 -3.217 -3.216 -17.180 566 H GLY 70 H GLY 70 -2.768 -5.619 -10.251 567 HA2 GLY 70 HA2 GLY 70 -2.658 -4.179 -7.917 568 HA3 GLY 70 HA3 GLY 70 -1.298 -5.053 -8.597 569 H THR 71 H THR 71 -2.440 -2.098 -7.645 570 HA THR 71 HA THR 71 -0.152 -0.766 -8.916 571 HB THR 71 HB THR 71 -1.433 1.372 -8.302 572 HG1 THR 71 HG1 THR 71 -3.043 0.450 -7.012 573 HG21 THR 71 HG21 THR 71 -2.732 1.314 -10.375 574 HG22 THR 71 HG22 THR 71 -2.548 -0.439 -10.447 575 HG23 THR 71 HG23 THR 71 -1.133 0.604 -10.604 576 H HIS 72 H HIS 72 1.460 -0.765 -7.467 577 HA HIS 72 HA HIS 72 1.148 -1.012 -4.663 578 HB2 HIS 72 HB2 HIS 72 3.474 -1.001 -4.567 579 HB3 HIS 72 HB3 HIS 72 3.228 -1.444 -6.254 580 HD1 HIS 72 HD1 HIS 72 4.130 1.533 -4.117 581 HD2 HIS 72 HD2 HIS 72 4.211 0.373 -8.093 582 HE1 HIS 72 HE1 HIS 72 5.191 3.428 -5.351 583 HE2 HIS 72 HE2 HIS 72 5.638 2.482 -7.656 584 H ILE 73 H ILE 73 0.109 1.482 -6.312 585 HA ILE 73 HA ILE 73 1.361 3.625 -6.631 586 HB ILE 73 HB ILE 73 -1.250 3.393 -5.288 587 HG12 ILE 73 HG12 ILE 73 -0.537 3.149 -7.791 588 HG13 ILE 73 HG13 ILE 73 -2.063 3.939 -7.372 589 HG21 ILE 73 HG21 ILE 73 -0.609 5.347 -4.179 590 HG22 ILE 73 HG22 ILE 73 -1.495 5.917 -5.596 591 HG23 ILE 73 HG23 ILE 73 0.270 5.947 -5.583 592 HD11 ILE 73 HD11 ILE 73 -1.002 6.108 -7.627 593 HD12 ILE 73 HD12 ILE 73 -0.840 5.149 -9.099 594 HD13 ILE 73 HD13 ILE 73 0.528 5.324 -8.002 595 H VAL 74 H VAL 74 3.014 4.482 -5.865 596 HA VAL 74 HA VAL 74 3.830 4.982 -3.275 597 HB VAL 74 HB VAL 74 5.422 5.517 -4.896 598 HG11 VAL 74 HG11 VAL 74 3.264 7.044 -6.344 599 HG12 VAL 74 HG12 VAL 74 4.041 5.543 -6.854 600 HG13 VAL 74 HG13 VAL 74 4.962 7.047 -6.817 601 HG21 VAL 74 HG21 VAL 74 5.313 7.298 -3.207 602 HG22 VAL 74 HG22 VAL 74 4.219 8.200 -4.259 603 HG23 VAL 74 HG23 VAL 74 5.880 7.894 -4.767 604 H LEU 75 H LEU 75 3.056 6.210 -1.730 605 HA LEU 75 HA LEU 75 0.534 7.234 -1.652 606 HB2 LEU 75 HB2 LEU 75 1.414 8.585 0.323 607 HB3 LEU 75 HB3 LEU 75 1.630 6.841 0.371 608 HG LEU 75 HG LEU 75 3.902 8.090 -0.884 609 HD11 LEU 75 HD11 LEU 75 4.773 9.290 1.039 610 HD12 LEU 75 HD12 LEU 75 3.288 8.979 1.938 611 HD13 LEU 75 HD13 LEU 75 3.256 10.014 0.511 612 HD21 LEU 75 HD21 LEU 75 5.104 6.830 0.841 613 HD22 LEU 75 HD22 LEU 75 3.870 5.836 0.071 614 HD23 LEU 75 HD23 LEU 75 3.585 6.507 1.675 615 H TRP 76 H TRP 76 -0.152 8.574 -3.198 616 HA TRP 76 HA TRP 76 1.454 10.817 -4.057 617 HB2 TRP 76 HB2 TRP 76 -1.018 9.452 -5.024 618 HB3 TRP 76 HB3 TRP 76 -0.745 11.127 -5.511 619 HD1 TRP 76 HD1 TRP 76 0.034 7.690 -6.522 620 HE1 TRP 76 HE1 TRP 76 1.827 7.665 -8.379 621 HE3 TRP 76 HE3 TRP 76 1.684 12.482 -6.097 622 HZ2 TRP 76 HZ2 TRP 76 3.693 9.445 -9.493 623 HZ3 TRP 76 HZ3 TRP 76 3.477 13.250 -7.591 624 HH2 TRP 76 HH2 TRP 76 4.465 11.762 -9.250 625 H THR 77 H THR 77 1.440 12.556 -2.833 626 HA THR 77 HA THR 77 -1.094 13.477 -1.668 627 HB THR 77 HB THR 77 0.301 14.926 -0.229 628 HG1 THR 77 HG1 THR 77 2.670 13.655 -0.670 629 HG21 THR 77 HG21 THR 77 -0.329 12.725 0.612 630 HG22 THR 77 HG22 THR 77 1.292 13.147 1.165 631 HG23 THR 77 HG23 THR 77 1.084 12.007 -0.165 632 H GLY 78 H GLY 78 -1.245 15.953 -1.608 633 HA2 GLY 78 HA2 GLY 78 -1.493 16.895 -4.206 634 HA3 GLY 78 HA3 GLY 78 -1.483 17.912 -2.777 635 H ASP 79 H ASP 79 1.105 17.554 -1.885 636 HA ASP 79 HA ASP 79 2.539 19.322 -3.563 637 HB2 ASP 79 HB2 ASP 79 3.430 17.641 -1.220 638 HB3 ASP 79 HB3 ASP 79 4.490 18.776 -2.048 639 H GLN 80 H GLN 80 2.674 15.839 -3.085 640 HA GLN 80 HA GLN 80 5.051 15.434 -4.575 641 HB2 GLN 80 HB2 GLN 80 4.026 13.850 -2.880 642 HB3 GLN 80 HB3 GLN 80 2.872 13.402 -4.127 643 HG2 GLN 80 HG2 GLN 80 4.688 12.643 -5.557 644 HG3 GLN 80 HG3 GLN 80 5.860 13.124 -4.329 645 HE21 GLN 80 HE21 GLN 80 3.384 10.858 -5.187 646 HE22 GLN 80 HE22 GLN 80 3.732 9.696 -3.961 647 H GLU 81 H GLU 81 1.604 15.297 -5.397 648 HA GLU 81 HA GLU 81 1.895 14.474 -8.070 649 HB2 GLU 81 HB2 GLU 81 -0.184 16.310 -6.875 650 HB3 GLU 81 HB3 GLU 81 -0.301 15.542 -8.449 651 HG2 GLU 81 HG2 GLU 81 -0.331 13.354 -7.388 652 HG3 GLU 81 HG3 GLU 81 -0.195 14.118 -5.803 653 H LEU 82 H LEU 82 2.235 17.560 -6.483 654 HA LEU 82 HA LEU 82 2.206 19.190 -8.787 655 HB2 LEU 82 HB2 LEU 82 1.879 20.014 -6.475 656 HB3 LEU 82 HB3 LEU 82 3.578 19.712 -6.154 657 HG LEU 82 HG LEU 82 4.048 21.300 -8.108 658 HD11 LEU 82 HD11 LEU 82 1.176 22.033 -7.555 659 HD12 LEU 82 HD12 LEU 82 1.809 21.334 -9.045 660 HD13 LEU 82 HD13 LEU 82 2.304 22.953 -8.552 661 HD21 LEU 82 HD21 LEU 82 2.810 22.339 -5.568 662 HD22 LEU 82 HD22 LEU 82 3.858 23.253 -6.655 663 HD23 LEU 82 HD23 LEU 82 4.487 21.848 -5.794 664 H GLU 83 H GLU 83 4.786 17.458 -7.089 665 HA GLU 83 HA GLU 83 7.029 18.509 -8.365 666 HB2 GLU 83 HB2 GLU 83 6.687 15.545 -7.950 667 HB3 GLU 83 HB3 GLU 83 8.167 16.481 -7.910 668 HG2 GLU 83 HG2 GLU 83 7.569 17.427 -5.790 669 HG3 GLU 83 HG3 GLU 83 5.993 16.629 -5.845 670 H LEU 84 H LEU 84 5.083 15.715 -9.233 671 HA LEU 84 HA LEU 84 6.333 15.183 -11.691 672 HB2 LEU 84 HB2 LEU 84 5.080 13.518 -10.429 673 HB3 LEU 84 HB3 LEU 84 3.599 14.424 -10.660 674 HG LEU 84 HG LEU 84 3.580 13.923 -13.014 675 HD11 LEU 84 HD11 LEU 84 5.301 12.605 -14.084 676 HD12 LEU 84 HD12 LEU 84 6.200 12.501 -12.570 677 HD13 LEU 84 HD13 LEU 84 6.009 14.058 -13.379 678 HD21 LEU 84 HD21 LEU 84 2.653 12.228 -11.526 679 HD22 LEU 84 HD22 LEU 84 4.236 11.462 -11.391 680 HD23 LEU 84 HD23 LEU 84 3.393 11.479 -12.941 681 H GLN 85 H GLN 85 3.385 16.959 -10.863 682 HA GLN 85 HA GLN 85 2.429 17.392 -13.442 683 HB2 GLN 85 HB2 GLN 85 1.274 17.858 -11.216 684 HB3 GLN 85 HB3 GLN 85 2.163 19.374 -11.185 685 HG2 GLN 85 HG2 GLN 85 0.792 18.975 -13.704 686 HG3 GLN 85 HG3 GLN 85 -0.308 18.918 -12.333 687 HE21 GLN 85 HE21 GLN 85 2.623 20.834 -12.383 688 HE22 GLN 85 HE22 GLN 85 1.836 22.370 -12.421 689 H ARG 86 H ARG 86 4.465 19.570 -11.449 690 HA ARG 86 HA ARG 86 4.658 21.532 -13.484 691 HB2 ARG 86 HB2 ARG 86 6.353 21.054 -11.035 692 HB3 ARG 86 HB3 ARG 86 6.546 22.441 -12.099 693 HG2 ARG 86 HG2 ARG 86 4.128 22.987 -11.635 694 HG3 ARG 86 HG3 ARG 86 4.180 21.743 -10.386 695 HD2 ARG 86 HD2 ARG 86 5.927 22.912 -9.211 696 HD3 ARG 86 HD3 ARG 86 6.050 24.102 -10.507 697 HE ARG 86 HE ARG 86 3.442 24.218 -9.666 698 HH11 ARG 86 HH11 ARG 86 6.580 24.666 -8.186 699 HH12 ARG 86 HH12 ARG 86 6.007 25.798 -7.004 700 HH21 ARG 86 HH21 ARG 86 2.676 25.723 -8.118 701 HH22 ARG 86 HH22 ARG 86 3.780 26.398 -6.963 702 H LEU 87 H LEU 87 7.021 19.081 -12.387 703 HA LEU 87 HA LEU 87 9.063 19.828 -14.147 704 HB2 LEU 87 HB2 LEU 87 8.443 17.408 -12.571 705 HB3 LEU 87 HB3 LEU 87 9.564 17.205 -13.905 706 HG LEU 87 HG LEU 87 10.891 19.125 -12.906 707 HD11 LEU 87 HD11 LEU 87 9.158 20.014 -11.438 708 HD12 LEU 87 HD12 LEU 87 10.599 19.550 -10.532 709 HD13 LEU 87 HD13 LEU 87 9.173 18.513 -10.510 710 HD21 LEU 87 HD21 LEU 87 11.609 16.825 -12.798 711 HD22 LEU 87 HD22 LEU 87 10.603 16.552 -11.376 712 HD23 LEU 87 HD23 LEU 87 11.980 17.650 -11.284 713 H PHE 88 H PHE 88 6.429 17.514 -14.578 714 HA PHE 88 HA PHE 88 7.162 16.418 -16.994 715 HB2 PHE 88 HB2 PHE 88 5.326 15.418 -15.959 716 HB3 PHE 88 HB3 PHE 88 4.510 16.959 -15.718 717 HD1 PHE 88 HD1 PHE 88 2.855 17.621 -17.149 718 HD2 PHE 88 HD2 PHE 88 5.605 14.634 -18.414 719 HE1 PHE 88 HE1 PHE 88 1.540 17.286 -19.190 720 HE2 PHE 88 HE2 PHE 88 4.290 14.293 -20.463 721 HZ PHE 88 HZ PHE 88 2.262 15.628 -20.852 722 H GLU 89 H GLU 89 5.301 19.395 -16.454 723 HA GLU 89 HA GLU 89 5.058 19.796 -19.294 724 HB2 GLU 89 HB2 GLU 89 4.413 21.786 -17.129 725 HB3 GLU 89 HB3 GLU 89 3.796 21.724 -18.768 726 HG2 GLU 89 HG2 GLU 89 2.689 19.591 -18.242 727 HG3 GLU 89 HG3 GLU 89 3.213 19.787 -16.571 728 H GLU 90 H GLU 90 7.381 20.527 -16.934 729 HA GLU 90 HA GLU 90 8.380 22.894 -18.281 730 HB2 GLU 90 HB2 GLU 90 9.071 21.400 -15.790 731 HB3 GLU 90 HB3 GLU 90 10.228 22.549 -16.467 732 HG2 GLU 90 HG2 GLU 90 8.541 24.309 -16.338 733 HG3 GLU 90 HG3 GLU 90 7.387 23.155 -15.669 734 H PHE 91 H PHE 91 9.016 19.492 -18.170 735 HA PHE 91 HA PHE 91 11.278 19.919 -20.013 736 HB2 PHE 91 HB2 PHE 91 10.827 17.656 -18.055 737 HB3 PHE 91 HB3 PHE 91 12.110 17.685 -19.260 738 HD1 PHE 91 HD1 PHE 91 13.759 19.639 -19.162 739 HD2 PHE 91 HD2 PHE 91 11.168 18.590 -15.954 740 HE1 PHE 91 HE1 PHE 91 15.221 20.845 -17.596 741 HE2 PHE 91 HE2 PHE 91 12.627 19.795 -14.379 742 HZ PHE 91 HZ PHE 91 14.651 20.926 -15.198 743 H ARG 92 H ARG 92 8.287 19.580 -20.373 744 HA ARG 92 HA ARG 92 7.844 17.052 -21.607 745 HB2 ARG 92 HB2 ARG 92 6.100 18.697 -20.701 746 HB3 ARG 92 HB3 ARG 92 6.321 19.587 -22.198 747 HG2 ARG 92 HG2 ARG 92 5.606 17.627 -23.472 748 HG3 ARG 92 HG3 ARG 92 5.394 16.729 -21.968 749 HD2 ARG 92 HD2 ARG 92 3.717 18.338 -21.229 750 HD3 ARG 92 HD3 ARG 92 3.927 19.259 -22.713 751 HE ARG 92 HE ARG 92 3.255 16.795 -23.612 752 HH11 ARG 92 HH11 ARG 92 1.833 19.023 -21.325 753 HH12 ARG 92 HH12 ARG 92 0.224 18.407 -21.514 754 HH21 ARG 92 HH21 ARG 92 1.104 16.008 -23.919 755 HH22 ARG 92 HH22 ARG 92 -0.195 16.698 -23.002 756 H ASP 93 H ASP 93 9.018 20.143 -22.658 757 HA ASP 93 HA ASP 93 9.038 19.408 -25.460 758 HB2 ASP 93 HB2 ASP 93 10.089 21.644 -25.763 759 HB3 ASP 93 HB3 ASP 93 8.553 21.716 -24.908 760 H SER 94 H SER 94 10.495 17.686 -23.767 761 HA SER 94 HA SER 94 13.231 18.186 -24.726 762 HB2 SER 94 HB2 SER 94 12.384 16.691 -22.230 763 HB3 SER 94 HB3 SER 94 14.044 16.890 -22.794 764 HG SER 94 HG SER 94 12.437 19.160 -22.401 765 H ASP 95 H ASP 95 14.440 15.896 -24.640 766 HA ASP 95 HA ASP 95 13.099 14.347 -26.651 767 HB2 ASP 95 HB2 ASP 95 15.209 12.959 -26.559 768 HB3 ASP 95 HB3 ASP 95 15.442 14.660 -26.954 769 H ASP 96 H ASP 96 13.361 14.185 -23.265 770 HA ASP 96 HA ASP 96 11.507 12.038 -23.149 771 HB2 ASP 96 HB2 ASP 96 13.741 10.832 -23.504 772 HB3 ASP 96 HB3 ASP 96 14.188 11.417 -21.905 773 H VAL 97 H VAL 97 10.251 13.227 -21.828 774 HA VAL 97 HA VAL 97 11.340 14.955 -19.866 775 HB VAL 97 HB VAL 97 9.292 15.665 -20.767 776 HG11 VAL 97 HG11 VAL 97 8.098 13.023 -19.968 777 HG12 VAL 97 HG12 VAL 97 8.443 13.570 -21.608 778 HG13 VAL 97 HG13 VAL 97 7.204 14.383 -20.648 779 HG21 VAL 97 HG21 VAL 97 9.511 16.101 -18.374 780 HG22 VAL 97 HG22 VAL 97 8.672 14.590 -18.019 781 HG23 VAL 97 HG23 VAL 97 7.823 15.901 -18.841 782 H LEU 98 H LEU 98 10.017 11.677 -19.704 783 HA LEU 98 HA LEU 98 9.823 11.595 -16.884 784 HB2 LEU 98 HB2 LEU 98 9.826 9.546 -19.031 785 HB3 LEU 98 HB3 LEU 98 10.121 9.014 -17.386 786 HG LEU 98 HG LEU 98 7.978 10.250 -16.771 787 HD11 LEU 98 HD11 LEU 98 7.636 10.153 -19.754 788 HD12 LEU 98 HD12 LEU 98 7.728 11.592 -18.740 789 HD13 LEU 98 HD13 LEU 98 6.355 10.498 -18.593 790 HD21 LEU 98 HD21 LEU 98 7.811 7.848 -18.585 791 HD22 LEU 98 HD22 LEU 98 6.586 8.360 -17.422 792 HD23 LEU 98 HD23 LEU 98 8.167 7.818 -16.857 793 H GLY 99 H GLY 99 12.440 10.835 -19.110 794 HA2 GLY 99 HA2 GLY 99 14.310 9.829 -17.327 795 HA3 GLY 99 HA3 GLY 99 14.705 10.852 -18.710 796 H HIS 100 H HIS 100 13.389 13.194 -17.924 797 HA HIS 100 HA HIS 100 15.301 14.253 -16.064 798 HB2 HIS 100 HB2 HIS 100 13.144 15.351 -17.763 799 HB3 HIS 100 HB3 HIS 100 13.498 16.256 -16.296 800 HD1 HIS 100 HD1 HIS 100 15.854 17.345 -16.107 801 HD2 HIS 100 HD2 HIS 100 15.069 15.517 -19.763 802 HE1 HIS 100 HE1 HIS 100 17.631 18.177 -17.681 803 HE2 HIS 100 HE2 HIS 100 17.082 17.141 -19.908 804 H ILE 101 H ILE 101 11.931 13.334 -15.994 805 HA ILE 101 HA ILE 101 11.146 14.502 -13.609 806 HB ILE 101 HB ILE 101 10.211 11.929 -14.892 807 HG12 ILE 101 HG12 ILE 101 9.010 14.709 -14.771 808 HG13 ILE 101 HG13 ILE 101 9.833 14.013 -16.161 809 HG21 ILE 101 HG21 ILE 101 8.259 12.039 -13.428 810 HG22 ILE 101 HG22 ILE 101 8.950 13.429 -12.594 811 HG23 ILE 101 HG23 ILE 101 9.742 11.859 -12.489 812 HD11 ILE 101 HD11 ILE 101 7.286 12.979 -14.939 813 HD12 ILE 101 HD12 ILE 101 8.098 12.320 -16.356 814 HD13 ILE 101 HD13 ILE 101 7.410 13.943 -16.410 815 H MET 102 H MET 102 12.874 11.455 -14.129 816 HA MET 102 HA MET 102 12.775 10.793 -11.327 817 HB2 MET 102 HB2 MET 102 14.349 9.566 -13.585 818 HB3 MET 102 HB3 MET 102 14.291 8.942 -11.939 819 HG2 MET 102 HG2 MET 102 11.833 8.747 -12.186 820 HG3 MET 102 HG3 MET 102 12.023 9.160 -13.885 821 HE1 MET 102 HE1 MET 102 10.613 6.950 -14.162 822 HE2 MET 102 HE2 MET 102 10.747 6.455 -12.473 823 HE3 MET 102 HE3 MET 102 11.197 5.336 -13.764 824 H LYS 103 H LYS 103 15.069 12.331 -13.474 825 HA LYS 103 HA LYS 103 17.286 12.031 -11.677 826 HB2 LYS 103 HB2 LYS 103 17.006 13.910 -14.028 827 HB3 LYS 103 HB3 LYS 103 18.502 13.491 -13.209 828 HG2 LYS 103 HG2 LYS 103 16.759 11.580 -14.750 829 HG3 LYS 103 HG3 LYS 103 18.253 12.312 -15.332 830 HD2 LYS 103 HD2 LYS 103 19.512 11.185 -13.591 831 HD3 LYS 103 HD3 LYS 103 18.024 10.510 -12.924 832 HE2 LYS 103 HE2 LYS 103 17.656 9.196 -14.892 833 HE3 LYS 103 HE3 LYS 103 18.987 9.991 -15.732 834 HZ1 LYS 103 HZ1 LYS 103 19.663 7.830 -14.952 835 HZ2 LYS 103 HZ2 LYS 103 19.225 8.215 -13.365 836 HZ3 LYS 103 HZ3 LYS 103 20.515 9.019 -14.102 837 H ASN 104 H ASN 104 14.897 14.523 -12.300 838 HA ASN 104 HA ASN 104 16.350 16.387 -10.548 839 HB2 ASN 104 HB2 ASN 104 14.045 16.923 -12.437 840 HB3 ASN 104 HB3 ASN 104 14.961 18.136 -11.553 841 HD21 ASN 104 HD21 ASN 104 17.530 16.850 -11.998 842 HD22 ASN 104 HD22 ASN 104 17.923 17.099 -13.664 843 H ILE 105 H ILE 105 14.559 14.077 -9.702 844 HA ILE 105 HA ILE 105 12.277 15.561 -8.598 845 HB ILE 105 HB ILE 105 11.931 13.513 -10.042 846 HG12 ILE 105 HG12 ILE 105 10.062 12.647 -8.652 847 HG13 ILE 105 HG13 ILE 105 10.672 13.619 -7.317 848 HG21 ILE 105 HG21 ILE 105 12.845 12.116 -7.560 849 HG22 ILE 105 HG22 ILE 105 13.630 12.084 -9.141 850 HG23 ILE 105 HG23 ILE 105 12.046 11.337 -8.926 851 HD11 ILE 105 HD11 ILE 105 8.793 14.664 -8.516 852 HD12 ILE 105 HD12 ILE 105 9.789 14.724 -9.969 853 HD13 ILE 105 HD13 ILE 105 10.257 15.644 -8.540 854 H THR 106 H THR 106 11.458 14.905 -6.543 855 HA THR 106 HA THR 106 13.457 14.390 -4.532 856 HB THR 106 HB THR 106 10.541 15.101 -4.545 857 HG1 THR 106 HG1 THR 106 11.464 16.802 -3.152 858 HG21 THR 106 HG21 THR 106 10.767 13.393 -2.857 859 HG22 THR 106 HG22 THR 106 10.514 14.971 -2.110 860 HG23 THR 106 HG23 THR 106 12.124 14.252 -2.135 861 H ALA 107 H ALA 107 10.572 12.774 -5.886 862 HA ALA 107 HA ALA 107 11.038 10.456 -4.151 863 HB1 ALA 107 HB1 ALA 107 8.799 9.753 -4.749 864 HB2 ALA 107 HB2 ALA 107 8.678 11.060 -5.927 865 HB3 ALA 107 HB3 ALA 107 8.773 11.431 -4.204 866 H LYS 108 H LYS 108 11.853 8.609 -4.894 867 HA LYS 108 HA LYS 108 12.454 8.314 -7.704 868 HB2 LYS 108 HB2 LYS 108 12.909 6.372 -5.427 869 HB3 LYS 108 HB3 LYS 108 13.612 6.269 -7.031 870 HG2 LYS 108 HG2 LYS 108 14.129 8.716 -5.425 871 HG3 LYS 108 HG3 LYS 108 14.957 7.228 -4.977 872 HD2 LYS 108 HD2 LYS 108 16.404 8.417 -6.448 873 HD3 LYS 108 HD3 LYS 108 15.745 7.059 -7.357 874 HE2 LYS 108 HE2 LYS 108 14.240 8.480 -8.534 875 HE3 LYS 108 HE3 LYS 108 14.609 9.849 -7.485 876 HZ1 LYS 108 HZ1 LYS 108 16.897 9.778 -8.357 877 HZ2 LYS 108 HZ2 LYS 108 15.754 10.091 -9.561 878 HZ3 LYS 108 HZ3 LYS 108 16.443 8.549 -9.429 879 H ARG 109 H ARG 109 10.759 7.820 -8.955 880 HA ARG 109 HA ARG 109 8.946 5.683 -8.047 881 HB2 ARG 109 HB2 ARG 109 8.328 8.001 -9.889 882 HB3 ARG 109 HB3 ARG 109 7.207 6.710 -9.464 883 HG2 ARG 109 HG2 ARG 109 7.200 7.415 -7.159 884 HG3 ARG 109 HG3 ARG 109 8.435 8.629 -7.491 885 HD2 ARG 109 HD2 ARG 109 5.759 8.609 -8.861 886 HD3 ARG 109 HD3 ARG 109 6.036 9.459 -7.348 887 HE ARG 109 HE ARG 109 7.291 10.096 -9.933 888 HH11 ARG 109 HH11 ARG 109 6.502 11.008 -6.636 889 HH12 ARG 109 HH12 ARG 109 6.905 12.689 -6.861 890 HH21 ARG 109 HH21 ARG 109 7.777 12.316 -10.237 891 HH22 ARG 109 HH22 ARG 109 7.605 13.417 -8.911 892 H SER 110 H SER 110 7.725 4.782 -10.116 893 HA SER 110 HA SER 110 9.834 3.856 -11.927 894 HB2 SER 110 HB2 SER 110 8.608 2.113 -10.715 895 HB3 SER 110 HB3 SER 110 7.083 2.719 -11.354 896 HG SER 110 HG SER 110 9.204 1.458 -12.751 897 H ARG 111 H ARG 111 9.311 3.564 -14.221 898 HA ARG 111 HA ARG 111 8.246 5.882 -15.405 899 HB2 ARG 111 HB2 ARG 111 8.595 3.169 -16.700 900 HB3 ARG 111 HB3 ARG 111 8.422 4.703 -17.537 901 HG2 ARG 111 HG2 ARG 111 10.707 3.979 -15.718 902 HG3 ARG 111 HG3 ARG 111 10.740 3.876 -17.474 903 HD2 ARG 111 HD2 ARG 111 10.143 6.427 -16.002 904 HD3 ARG 111 HD3 ARG 111 11.780 5.939 -16.429 905 HE ARG 111 HE ARG 111 9.693 6.867 -18.228 906 HH11 ARG 111 HH11 ARG 111 12.843 5.394 -17.869 907 HH12 ARG 111 HH12 ARG 111 13.389 5.859 -19.448 908 HH21 ARG 111 HH21 ARG 111 10.416 7.483 -20.324 909 HH22 ARG 111 HH22 ARG 111 12.013 7.063 -20.836 910 H ALA 112 H ALA 112 6.895 2.603 -15.152 911 HA ALA 112 HA ALA 112 4.451 3.114 -16.429 912 HB1 ALA 112 HB1 ALA 112 3.668 1.054 -15.377 913 HB2 ALA 112 HB2 ALA 112 5.047 1.084 -14.277 914 HB3 ALA 112 HB3 ALA 112 5.304 0.859 -16.008 915 H ARG 113 H ARG 113 5.505 3.586 -13.143 916 HA ARG 113 HA ARG 113 2.936 4.042 -12.029 917 HB2 ARG 113 HB2 ARG 113 4.726 3.320 -10.609 918 HB3 ARG 113 HB3 ARG 113 5.734 4.675 -11.087 919 HG2 ARG 113 HG2 ARG 113 4.718 4.774 -8.791 920 HG3 ARG 113 HG3 ARG 113 4.476 6.191 -9.811 921 HD2 ARG 113 HD2 ARG 113 2.501 5.184 -8.432 922 HD3 ARG 113 HD3 ARG 113 2.236 5.797 -10.060 923 HE ARG 113 HE ARG 113 2.669 2.916 -9.571 924 HH11 ARG 113 HH11 ARG 113 0.811 5.560 -10.886 925 HH12 ARG 113 HH12 ARG 113 -0.342 4.549 -11.694 926 HH21 ARG 113 HH21 ARG 113 1.185 1.549 -10.687 927 HH22 ARG 113 HH22 ARG 113 -0.110 2.261 -11.597 928 H ILE 114 H ILE 114 5.395 6.090 -13.458 929 HA ILE 114 HA ILE 114 4.115 8.543 -12.739 930 HB ILE 114 HB ILE 114 6.344 7.899 -14.662 931 HG12 ILE 114 HG12 ILE 114 6.340 9.385 -12.027 932 HG13 ILE 114 HG13 ILE 114 6.714 7.675 -12.192 933 HG21 ILE 114 HG21 ILE 114 5.204 9.857 -15.521 934 HG22 ILE 114 HG22 ILE 114 6.744 10.330 -14.802 935 HG23 ILE 114 HG23 ILE 114 5.238 10.607 -13.927 936 HD11 ILE 114 HD11 ILE 114 8.727 9.051 -12.028 937 HD12 ILE 114 HD12 ILE 114 8.245 9.920 -13.484 938 HD13 ILE 114 HD13 ILE 114 8.636 8.204 -13.573 939 H VAL 115 H VAL 115 4.298 6.608 -15.729 940 HA VAL 115 HA VAL 115 2.939 8.478 -17.332 941 HB VAL 115 HB VAL 115 2.617 6.714 -18.967 942 HG11 VAL 115 HG11 VAL 115 5.314 6.516 -17.642 943 HG12 VAL 115 HG12 VAL 115 4.814 7.756 -18.793 944 HG13 VAL 115 HG13 VAL 115 4.939 6.073 -19.306 945 HG21 VAL 115 HG21 VAL 115 3.600 4.821 -16.841 946 HG22 VAL 115 HG22 VAL 115 3.322 4.415 -18.535 947 HG23 VAL 115 HG23 VAL 115 1.968 4.882 -17.507 948 H ASP 116 H ASP 116 1.751 5.801 -15.358 949 HA ASP 116 HA ASP 116 -0.947 5.931 -16.148 950 HB2 ASP 116 HB2 ASP 116 -0.346 4.036 -14.895 951 HB3 ASP 116 HB3 ASP 116 0.435 4.998 -13.647 952 H LYS 117 H LYS 117 0.895 7.693 -13.710 953 HA LYS 117 HA LYS 117 -1.421 8.939 -12.617 954 HB2 LYS 117 HB2 LYS 117 1.520 9.247 -12.200 955 HB3 LYS 117 HB3 LYS 117 0.417 10.460 -11.556 956 HG2 LYS 117 HG2 LYS 117 0.034 7.533 -11.028 957 HG3 LYS 117 HG3 LYS 117 1.095 8.529 -10.033 958 HD2 LYS 117 HD2 LYS 117 -0.638 9.284 -8.886 959 HD3 LYS 117 HD3 LYS 117 -1.384 9.893 -10.371 960 HE2 LYS 117 HE2 LYS 117 -1.643 7.093 -9.275 961 HE3 LYS 117 HE3 LYS 117 -2.865 8.354 -9.162 962 HZ1 LYS 117 HZ1 LYS 117 -2.809 8.369 -11.673 963 HZ2 LYS 117 HZ2 LYS 117 -3.486 7.003 -10.954 964 HZ3 LYS 117 HZ3 LYS 117 -1.921 6.926 -11.589 965 H LEU 118 H LEU 118 0.843 9.811 -15.168 966 HA LEU 118 HA LEU 118 0.070 12.497 -15.476 967 HB2 LEU 118 HB2 LEU 118 0.788 10.519 -17.630 968 HB3 LEU 118 HB3 LEU 118 0.648 12.246 -17.858 969 HG LEU 118 HG LEU 118 2.779 10.715 -16.418 970 HD11 LEU 118 HD11 LEU 118 2.937 11.131 -18.826 971 HD12 LEU 118 HD12 LEU 118 4.192 11.987 -17.929 972 HD13 LEU 118 HD13 LEU 118 2.779 12.863 -18.533 973 HD21 LEU 118 HD21 LEU 118 3.688 12.810 -15.596 974 HD22 LEU 118 HD22 LEU 118 2.078 12.555 -14.925 975 HD23 LEU 118 HD23 LEU 118 2.310 13.693 -16.251 976 H LEU 119 H LEU 119 -1.220 9.544 -16.932 977 HA LEU 119 HA LEU 119 -3.266 10.712 -18.445 978 HB2 LEU 119 HB2 LEU 119 -2.803 7.985 -17.299 979 HB3 LEU 119 HB3 LEU 119 -4.349 8.356 -18.034 980 HG LEU 119 HG LEU 119 -2.863 7.214 -19.612 981 HD11 LEU 119 HD11 LEU 119 -3.089 8.769 -21.473 982 HD12 LEU 119 HD12 LEU 119 -3.387 10.087 -20.341 983 HD13 LEU 119 HD13 LEU 119 -4.535 8.754 -20.464 984 HD21 LEU 119 HD21 LEU 119 -1.071 9.617 -19.274 985 HD22 LEU 119 HD22 LEU 119 -0.896 8.395 -20.531 986 HD23 LEU 119 HD23 LEU 119 -0.696 7.952 -18.836 987 H ALA 120 H ALA 120 -3.102 9.736 -15.107 988 HA ALA 120 HA ALA 120 -5.887 9.911 -14.579 989 HB1 ALA 120 HB1 ALA 120 -5.285 9.650 -12.278 990 HB2 ALA 120 HB2 ALA 120 -3.619 10.122 -12.614 991 HB3 ALA 120 HB3 ALA 120 -4.249 8.602 -13.252 992 H LEU 121 H LEU 121 -3.172 12.162 -14.167 993 HA LEU 121 HA LEU 121 -4.726 14.291 -13.084 994 HB2 LEU 121 HB2 LEU 121 -2.007 13.995 -14.271 995 HB3 LEU 121 HB3 LEU 121 -2.676 15.605 -14.125 996 HG LEU 121 HG LEU 121 -2.848 15.340 -11.713 997 HD11 LEU 121 HD11 LEU 121 -1.590 12.636 -12.123 998 HD12 LEU 121 HD12 LEU 121 -3.243 12.934 -11.588 999 HD13 LEU 121 HD13 LEU 121 -1.886 13.417 -10.570 1000 HD21 LEU 121 HD21 LEU 121 -0.405 15.233 -11.252 1001 HD22 LEU 121 HD22 LEU 121 -0.835 16.280 -12.608 1002 HD23 LEU 121 HD23 LEU 121 -0.170 14.675 -12.912 1003 H GLY 122 H GLY 122 -4.168 13.077 -16.259 1004 HA2 GLY 122 HA2 GLY 122 -5.155 13.721 -18.260 1005 HA3 GLY 122 HA3 GLY 122 -5.835 15.125 -17.443 1006 H LEU 123 H LEU 123 -2.450 14.251 -17.308 1007 HA LEU 123 HA LEU 123 -1.687 16.838 -18.333 1008 HB2 LEU 123 HB2 LEU 123 -0.113 14.444 -17.401 1009 HB3 LEU 123 HB3 LEU 123 0.633 15.925 -17.977 1010 HG LEU 123 HG LEU 123 -1.156 15.665 -15.559 1011 HD11 LEU 123 HD11 LEU 123 0.893 16.276 -14.324 1012 HD12 LEU 123 HD12 LEU 123 1.804 16.141 -15.828 1013 HD13 LEU 123 HD13 LEU 123 1.014 14.721 -15.144 1014 HD21 LEU 123 HD21 LEU 123 -0.550 18.010 -15.132 1015 HD22 LEU 123 HD22 LEU 123 -1.484 17.818 -16.612 1016 HD23 LEU 123 HD23 LEU 123 0.259 18.073 -16.697 1017 H VAL 124 H VAL 124 -1.966 13.601 -19.413 1018 HA VAL 124 HA VAL 124 -1.461 14.475 -22.161 1019 HB VAL 124 HB VAL 124 -0.311 12.336 -22.666 1020 HG11 VAL 124 HG11 VAL 124 1.859 13.007 -21.849 1021 HG12 VAL 124 HG12 VAL 124 1.115 13.999 -20.597 1022 HG13 VAL 124 HG13 VAL 124 0.931 14.437 -22.296 1023 HG21 VAL 124 HG21 VAL 124 0.676 11.074 -20.781 1024 HG22 VAL 124 HG22 VAL 124 -1.087 11.010 -20.809 1025 HG23 VAL 124 HG23 VAL 124 -0.263 12.066 -19.664 1026 H ALA 125 H ALA 125 -2.091 12.589 -23.658 1027 HA ALA 125 HA ALA 125 -4.610 11.410 -22.651 1028 HB1 ALA 125 HB1 ALA 125 -4.955 13.066 -24.429 1029 HB2 ALA 125 HB2 ALA 125 -5.413 11.448 -24.960 1030 HB3 ALA 125 HB3 ALA 125 -3.884 12.151 -25.489 1031 H GLU 126 H GLU 126 -1.486 10.785 -23.597 1032 HA GLU 126 HA GLU 126 -1.845 7.952 -23.516 1033 HB2 GLU 126 HB2 GLU 126 -1.039 7.442 -25.736 1034 HB3 GLU 126 HB3 GLU 126 -2.482 8.439 -25.862 1035 HG2 GLU 126 HG2 GLU 126 -1.123 10.398 -26.286 1036 HG3 GLU 126 HG3 GLU 126 0.344 9.447 -26.087 1037 H ARG 127 H ARG 127 0.389 6.900 -24.144 1038 HA ARG 127 HA ARG 127 2.283 8.210 -22.433 1039 HB2 ARG 127 HB2 ARG 127 2.015 5.527 -23.625 1040 HB3 ARG 127 HB3 ARG 127 3.652 6.061 -23.281 1041 HG2 ARG 127 HG2 ARG 127 2.789 4.799 -21.425 1042 HG3 ARG 127 HG3 ARG 127 3.010 6.482 -20.955 1043 HD2 ARG 127 HD2 ARG 127 0.934 5.777 -20.054 1044 HD3 ARG 127 HD3 ARG 127 0.572 6.834 -21.418 1045 HE ARG 127 HE ARG 127 0.494 4.407 -22.560 1046 HH11 ARG 127 HH11 ARG 127 -0.972 5.653 -19.632 1047 HH12 ARG 127 HH12 ARG 127 -2.334 4.582 -19.704 1048 HH21 ARG 127 HH21 ARG 127 -1.307 2.993 -22.652 1049 HH22 ARG 127 HH22 ARG 127 -2.527 3.082 -21.420 1050 H ARG 128 H ARG 128 1.867 8.061 -25.875 1051 HA ARG 128 HA ARG 128 4.637 8.253 -26.513 1052 HB2 ARG 128 HB2 ARG 128 4.025 8.153 -28.687 1053 HB3 ARG 128 HB3 ARG 128 2.484 7.653 -28.009 1054 HG2 ARG 128 HG2 ARG 128 1.577 9.849 -28.264 1055 HG3 ARG 128 HG3 ARG 128 3.154 10.502 -28.716 1056 HD2 ARG 128 HD2 ARG 128 1.768 10.198 -30.683 1057 HD3 ARG 128 HD3 ARG 128 3.147 9.100 -30.726 1058 HE ARG 128 HE ARG 128 0.704 7.998 -29.608 1059 HH11 ARG 128 HH11 ARG 128 2.653 8.445 -32.492 1060 HH12 ARG 128 HH12 ARG 128 1.954 7.088 -33.323 1061 HH21 ARG 128 HH21 ARG 128 -0.195 6.214 -30.706 1062 HH22 ARG 128 HH22 ARG 128 0.343 5.825 -32.311 1063 H GLU 129 H GLU 129 2.254 10.602 -25.606 1064 HA GLU 129 HA GLU 129 3.425 12.867 -26.835 1065 HB2 GLU 129 HB2 GLU 129 1.722 12.722 -24.351 1066 HB3 GLU 129 HB3 GLU 129 2.091 14.188 -25.244 1067 HG2 GLU 129 HG2 GLU 129 0.971 13.165 -27.224 1068 HG3 GLU 129 HG3 GLU 129 0.469 11.838 -26.172 1069 H LEU 130 H LEU 130 4.147 11.096 -23.976 1070 HA LEU 130 HA LEU 130 5.844 13.218 -22.935 1071 HB2 LEU 130 HB2 LEU 130 6.190 11.313 -21.123 1072 HB3 LEU 130 HB3 LEU 130 4.800 12.378 -21.105 1073 HG LEU 130 HG LEU 130 4.552 9.806 -22.586 1074 HD11 LEU 130 HD11 LEU 130 3.921 8.641 -20.541 1075 HD12 LEU 130 HD12 LEU 130 4.436 10.033 -19.589 1076 HD13 LEU 130 HD13 LEU 130 5.618 9.117 -20.524 1077 HD21 LEU 130 HD21 LEU 130 2.259 9.944 -21.580 1078 HD22 LEU 130 HD22 LEU 130 2.669 11.278 -22.660 1079 HD23 LEU 130 HD23 LEU 130 2.716 11.511 -20.908 1080 H TYR 131 H TYR 131 6.145 10.929 -25.191 1081 HA TYR 131 HA TYR 131 9.023 10.586 -24.657 1082 HB2 TYR 131 HB2 TYR 131 7.156 8.592 -25.956 1083 HB3 TYR 131 HB3 TYR 131 8.901 8.413 -25.861 1084 HD1 TYR 131 HD1 TYR 131 6.408 6.755 -24.712 1085 HD2 TYR 131 HD2 TYR 131 9.327 9.353 -23.043 1086 HE1 TYR 131 HE1 TYR 131 6.160 5.628 -22.541 1087 HE2 TYR 131 HE2 TYR 131 9.084 8.244 -20.869 1088 HH TYR 131 HH TYR 131 7.487 5.283 -20.486 1089 H LYS 132 H LYS 132 8.145 12.763 -25.985 1090 HA LYS 132 HA LYS 132 8.528 12.128 -28.826 1091 HB2 LYS 132 HB2 LYS 132 6.826 14.097 -27.415 1092 HB3 LYS 132 HB3 LYS 132 7.560 14.642 -28.913 1093 HG2 LYS 132 HG2 LYS 132 5.738 12.271 -28.547 1094 HG3 LYS 132 HG3 LYS 132 5.362 13.789 -29.365 1095 HD2 LYS 132 HD2 LYS 132 7.277 13.253 -30.938 1096 HD3 LYS 132 HD3 LYS 132 7.283 11.639 -30.231 1097 HE2 LYS 132 HE2 LYS 132 5.977 11.532 -32.210 1098 HE3 LYS 132 HE3 LYS 132 4.861 11.459 -30.848 1099 HZ1 LYS 132 HZ1 LYS 132 4.135 12.952 -32.651 1100 HZ2 LYS 132 HZ2 LYS 132 5.483 13.933 -32.368 1101 HZ3 LYS 132 HZ3 LYS 132 4.304 13.747 -31.169 1102 H LYS 133 H LYS 133 9.240 14.426 -29.898 1103 HA LYS 133 HA LYS 133 11.893 14.913 -28.807 1104 HB2 LYS 133 HB2 LYS 133 10.700 15.998 -31.359 1105 HB3 LYS 133 HB3 LYS 133 12.403 15.898 -30.933 1106 HG2 LYS 133 HG2 LYS 133 12.296 13.461 -31.012 1107 HG3 LYS 133 HG3 LYS 133 10.587 13.547 -31.435 1108 HD2 LYS 133 HD2 LYS 133 11.215 14.818 -33.473 1109 HD3 LYS 133 HD3 LYS 133 12.911 14.568 -33.060 1110 HE2 LYS 133 HE2 LYS 133 12.578 12.145 -33.168 1111 HE3 LYS 133 HE3 LYS 133 10.884 12.395 -33.583 1112 HZ1 LYS 133 HZ1 LYS 133 12.228 11.949 -35.539 1113 HZ2 LYS 133 HZ2 LYS 133 13.207 13.283 -35.199 1114 HZ3 LYS 133 HZ3 LYS 133 11.583 13.510 -35.608 1115 H ARG 134 H ARG 134 12.667 17.274 -29.013 1116 HA ARG 134 HA ARG 134 11.080 18.917 -27.387 1117 HB2 ARG 134 HB2 ARG 134 12.727 20.629 -27.627 1118 HB3 ARG 134 HB3 ARG 134 13.557 19.090 -27.535 1119 HG2 ARG 134 HG2 ARG 134 13.042 20.599 -30.090 1120 HG3 ARG 134 HG3 ARG 134 14.528 20.696 -29.150 1121 HD2 ARG 134 HD2 ARG 134 14.731 18.201 -29.437 1122 HD3 ARG 134 HD3 ARG 134 13.400 18.309 -30.591 1123 HE ARG 134 HE ARG 134 14.915 19.961 -31.790 1124 HH11 ARG 134 HH11 ARG 134 16.080 17.239 -29.925 1125 HH12 ARG 134 HH12 ARG 134 17.583 17.127 -30.784 1126 HH21 ARG 134 HH21 ARG 134 16.885 19.808 -32.939 1127 HH22 ARG 134 HH22 ARG 134 18.035 18.583 -32.508 1128 H GLN 135 H GLN 135 9.081 18.853 -28.440 1129 HA GLN 135 HA GLN 135 8.755 20.566 -30.789 1130 HB2 GLN 135 HB2 GLN 135 6.438 19.736 -30.787 1131 HB3 GLN 135 HB3 GLN 135 7.586 18.401 -30.773 1132 HG2 GLN 135 HG2 GLN 135 7.257 18.184 -28.343 1133 HG3 GLN 135 HG3 GLN 135 6.061 19.475 -28.408 1134 HE21 GLN 135 HE21 GLN 135 5.775 16.720 -27.544 1135 HE22 GLN 135 HE22 GLN 135 4.523 16.040 -28.520 1136 H LYS 136 H LYS 136 7.373 22.401 -30.748 1137 HA LYS 136 HA LYS 136 6.297 23.128 -28.134 1138 HB2 LYS 136 HB2 LYS 136 8.141 24.753 -29.782 1139 HB3 LYS 136 HB3 LYS 136 6.786 25.604 -29.049 1140 HG2 LYS 136 HG2 LYS 136 8.744 23.885 -27.534 1141 HG3 LYS 136 HG3 LYS 136 8.835 25.643 -27.666 1142 HD2 LYS 136 HD2 LYS 136 6.785 25.924 -26.495 1143 HD3 LYS 136 HD3 LYS 136 6.414 24.206 -26.588 1144 HE2 LYS 136 HE2 LYS 136 7.140 24.675 -24.371 1145 HE3 LYS 136 HE3 LYS 136 8.416 23.768 -25.175 1146 HZ1 LYS 136 HZ1 LYS 136 9.208 25.675 -23.841 1147 HZ2 LYS 136 HZ2 LYS 136 8.412 26.721 -24.903 1148 HZ3 LYS 136 HZ3 LYS 136 9.676 25.748 -25.461 1149 H LYS 137 H LYS 137 4.555 22.041 -29.201 1150 HA LYS 137 HA LYS 137 2.795 23.999 -30.465 1151 HB2 LYS 137 HB2 LYS 137 1.896 22.370 -32.007 1152 HB3 LYS 137 HB3 LYS 137 3.633 22.449 -32.253 1153 HG2 LYS 137 HG2 LYS 137 3.989 20.378 -31.239 1154 HG3 LYS 137 HG3 LYS 137 2.398 20.378 -30.476 1155 HD2 LYS 137 HD2 LYS 137 2.908 20.186 -33.443 1156 HD3 LYS 137 HD3 LYS 137 2.540 18.822 -32.388 1157 HE2 LYS 137 HE2 LYS 137 0.390 19.940 -31.801 1158 HE3 LYS 137 HE3 LYS 137 0.759 21.178 -32.999 1159 HZ1 LYS 137 HZ1 LYS 137 0.384 18.285 -33.534 1160 HZ2 LYS 137 HZ2 LYS 137 0.822 19.432 -34.695 1161 HZ3 LYS 137 HZ3 LYS 137 -0.687 19.527 -33.941 1162 H LEU 138 H LEU 138 0.574 23.619 -29.931 1163 HA LEU 138 HA LEU 138 -0.053 22.823 -27.387 1164 HB2 LEU 138 HB2 LEU 138 -1.795 22.590 -29.843 1165 HB3 LEU 138 HB3 LEU 138 -2.381 22.541 -28.192 1166 HG LEU 138 HG LEU 138 -1.039 24.906 -29.503 1167 HD11 LEU 138 HD11 LEU 138 -3.920 24.418 -28.768 1168 HD12 LEU 138 HD12 LEU 138 -3.256 24.506 -30.401 1169 HD13 LEU 138 HD13 LEU 138 -3.256 25.937 -29.370 1170 HD21 LEU 138 HD21 LEU 138 -1.724 26.120 -27.480 1171 HD22 LEU 138 HD22 LEU 138 -0.575 24.833 -27.121 1172 HD23 LEU 138 HD23 LEU 138 -2.289 24.606 -26.774 1173 H ALA 139 H ALA 139 0.493 20.934 -26.489 1174 HA ALA 139 HA ALA 139 0.733 18.560 -28.096 1175 HB1 ALA 139 HB1 ALA 139 1.182 18.925 -25.138 1176 HB2 ALA 139 HB2 ALA 139 2.408 19.088 -26.396 1177 HB3 ALA 139 HB3 ALA 139 1.651 17.524 -26.102 1178 H SER 140 H SER 140 -1.490 18.399 -28.668 1179 HA SER 140 HA SER 140 -2.924 16.790 -26.682 1180 HB2 SER 140 HB2 SER 140 -4.230 18.686 -28.651 1181 HB3 SER 140 HB3 SER 140 -5.053 17.694 -27.444 1182 HG SER 140 HG SER 140 -3.125 19.188 -26.290 1183 H SER 141 H SER 141 -2.077 14.924 -27.604 1184 HA SER 141 HA SER 141 -2.374 14.386 -30.409 1185 HB2 SER 141 HB2 SER 141 -0.535 13.457 -28.983 1186 HB3 SER 141 HB3 SER 141 -1.734 12.456 -28.166 1187 HG SER 141 HG SER 141 -1.357 11.084 -29.697 Start of MODEL 2 1 H1 ASP 1 HT1 ASP 1 -21.592 13.234 -10.710 2 H2 ASP 1 HT2 ASP 1 -20.177 12.310 -10.748 3 H3 ASP 1 HT3 ASP 1 -21.219 12.207 -9.423 4 HA ASP 1 HA ASP 1 -21.860 11.367 -12.188 5 HB2 ASP 1 HB2 ASP 1 -21.260 9.767 -9.694 6 HB3 ASP 1 HB3 ASP 1 -21.870 9.077 -11.193 7 HA PRO 2 HA PRO 2 -26.098 11.781 -11.088 8 HB2 PRO 2 HB2 PRO 2 -27.109 9.542 -12.384 9 HB3 PRO 2 HB3 PRO 2 -26.817 11.111 -13.137 10 HG2 PRO 2 HG2 PRO 2 -25.154 8.640 -13.191 11 HG3 PRO 2 HG3 PRO 2 -25.414 9.847 -14.461 12 HD2 PRO 2 HD2 PRO 2 -23.145 9.743 -13.007 13 HD3 PRO 2 HD3 PRO 2 -23.815 11.271 -13.608 14 H SER 3 H SER 3 -25.152 8.318 -11.016 15 HA SER 3 HA SER 3 -26.901 7.955 -8.712 16 HB2 SER 3 HB2 SER 3 -25.259 5.823 -10.070 17 HB3 SER 3 HB3 SER 3 -26.708 5.620 -9.091 18 HG SER 3 HG SER 3 -27.713 6.993 -10.843 19 H ARG 4 H ARG 4 -23.510 8.043 -9.532 20 HA ARG 4 HA ARG 4 -22.756 6.873 -6.979 21 HB2 ARG 4 HB2 ARG 4 -20.935 7.977 -9.126 22 HB3 ARG 4 HB3 ARG 4 -20.512 6.863 -7.834 23 HG2 ARG 4 HG2 ARG 4 -21.706 5.092 -8.831 24 HG3 ARG 4 HG3 ARG 4 -22.511 6.174 -9.965 25 HD2 ARG 4 HD2 ARG 4 -20.159 6.689 -10.848 26 HD3 ARG 4 HD3 ARG 4 -19.650 5.258 -9.948 27 HE ARG 4 HE ARG 4 -21.844 4.524 -11.493 28 HH11 ARG 4 HH11 ARG 4 -18.539 5.578 -11.981 29 HH12 ARG 4 HH12 ARG 4 -18.398 4.828 -13.535 30 HH21 ARG 4 HH21 ARG 4 -21.651 3.524 -13.537 31 HH22 ARG 4 HH22 ARG 4 -20.158 3.638 -14.414 32 H ARG 5 H ARG 5 -23.332 8.345 -5.456 33 HA ARG 5 HA ARG 5 -22.027 10.969 -5.539 34 HB2 ARG 5 HB2 ARG 5 -24.557 9.989 -4.492 35 HB3 ARG 5 HB3 ARG 5 -23.646 10.869 -3.273 36 HG2 ARG 5 HG2 ARG 5 -24.225 11.955 -6.015 37 HG3 ARG 5 HG3 ARG 5 -25.250 12.241 -4.607 38 HD2 ARG 5 HD2 ARG 5 -22.323 12.956 -4.798 39 HD3 ARG 5 HD3 ARG 5 -23.661 14.084 -5.024 40 HE ARG 5 HE ARG 5 -23.958 12.820 -2.539 41 HH11 ARG 5 HH11 ARG 5 -21.903 15.147 -4.151 42 HH12 ARG 5 HH12 ARG 5 -21.447 15.954 -2.684 43 HH21 ARG 5 HH21 ARG 5 -23.375 13.894 -0.602 44 HH22 ARG 5 HH22 ARG 5 -22.285 15.243 -0.666 45 H ALA 6 H ALA 6 -20.693 11.636 -3.801 46 HA ALA 6 HA ALA 6 -20.015 9.465 -1.939 47 HB1 ALA 6 HB1 ALA 6 -18.135 10.111 -3.316 48 HB2 ALA 6 HB2 ALA 6 -17.861 10.554 -1.630 49 HB3 ALA 6 HB3 ALA 6 -18.325 11.787 -2.802 50 HA PRO 7 HA PRO 7 -21.371 12.474 1.079 51 HB2 PRO 7 HB2 PRO 7 -23.137 11.005 2.307 52 HB3 PRO 7 HB3 PRO 7 -23.407 11.436 0.608 53 HG2 PRO 7 HG2 PRO 7 -22.446 8.842 1.748 54 HG3 PRO 7 HG3 PRO 7 -23.609 9.129 0.439 55 HD2 PRO 7 HD2 PRO 7 -20.819 8.658 0.165 56 HD3 PRO 7 HD3 PRO 7 -21.947 9.168 -1.111 57 H THR 8 H THR 8 -21.287 12.359 3.514 58 HA THR 8 HA THR 8 -19.059 10.719 4.391 59 HB THR 8 HB THR 8 -19.573 11.948 6.626 60 HG1 THR 8 HG1 THR 8 -21.647 12.754 5.725 61 HG21 THR 8 HG21 THR 8 -18.577 13.472 4.215 62 HG22 THR 8 HG22 THR 8 -17.621 12.364 5.199 63 HG23 THR 8 HG23 THR 8 -18.239 13.856 5.903 64 H TRP 9 H TRP 9 -19.254 8.881 5.468 65 HA TRP 9 HA TRP 9 -21.851 7.708 5.698 66 HB2 TRP 9 HB2 TRP 9 -19.105 6.715 6.457 67 HB3 TRP 9 HB3 TRP 9 -20.569 5.756 6.619 68 HD1 TRP 9 HD1 TRP 9 -19.222 7.844 3.613 69 HE1 TRP 9 HE1 TRP 9 -19.218 6.306 1.549 70 HE3 TRP 9 HE3 TRP 9 -20.885 3.540 5.807 71 HZ2 TRP 9 HZ2 TRP 9 -19.828 3.610 0.944 72 HZ3 TRP 9 HZ3 TRP 9 -21.151 1.530 4.418 73 HH2 TRP 9 HH2 TRP 9 -20.637 1.572 2.033 74 H SER 10 H SER 10 -22.955 7.114 7.510 75 HA SER 10 HA SER 10 -22.310 8.378 10.010 76 HB2 SER 10 HB2 SER 10 -24.422 6.281 9.426 77 HB3 SER 10 HB3 SER 10 -24.378 7.388 10.796 78 HG SER 10 HG SER 10 -24.401 9.085 9.064 79 HA PRO 11 HA PRO 11 -19.641 5.418 11.876 80 HB2 PRO 11 HB2 PRO 11 -21.651 5.306 14.092 81 HB3 PRO 11 HB3 PRO 11 -19.898 5.523 14.174 82 HG2 PRO 11 HG2 PRO 11 -21.524 7.599 14.476 83 HG3 PRO 11 HG3 PRO 11 -20.016 7.759 13.561 84 HD2 PRO 11 HD2 PRO 11 -22.820 7.616 12.577 85 HD3 PRO 11 HD3 PRO 11 -21.428 8.484 11.904 86 H GLU 12 H GLU 12 -23.085 4.615 12.279 87 HA GLU 12 HA GLU 12 -22.656 1.833 12.610 88 HB2 GLU 12 HB2 GLU 12 -25.132 3.374 11.816 89 HB3 GLU 12 HB3 GLU 12 -25.115 1.661 12.211 90 HG2 GLU 12 HG2 GLU 12 -24.495 2.093 14.458 91 HG3 GLU 12 HG3 GLU 12 -24.181 3.792 14.111 92 H GLU 13 H GLU 13 -22.881 3.853 9.790 93 HA GLU 13 HA GLU 13 -23.671 1.704 8.036 94 HB2 GLU 13 HB2 GLU 13 -24.102 4.265 7.741 95 HB3 GLU 13 HB3 GLU 13 -22.485 4.275 7.050 96 HG2 GLU 13 HG2 GLU 13 -24.091 4.079 5.281 97 HG3 GLU 13 HG3 GLU 13 -23.202 2.562 5.420 98 H GLU 14 H GLU 14 -20.651 3.326 8.942 99 HA GLU 14 HA GLU 14 -19.102 1.843 7.042 100 HB2 GLU 14 HB2 GLU 14 -18.358 3.540 9.407 101 HB3 GLU 14 HB3 GLU 14 -17.150 2.621 8.518 102 HG2 GLU 14 HG2 GLU 14 -17.871 3.782 6.450 103 HG3 GLU 14 HG3 GLU 14 -18.947 4.771 7.431 104 H ALA 15 H ALA 15 -20.123 1.361 10.353 105 HA ALA 15 HA ALA 15 -18.593 -0.978 10.834 106 HB1 ALA 15 HB1 ALA 15 -19.713 0.217 12.646 107 HB2 ALA 15 HB2 ALA 15 -20.240 -1.465 12.584 108 HB3 ALA 15 HB3 ALA 15 -21.284 -0.191 11.955 109 H HIS 16 H HIS 16 -21.691 -0.350 9.365 110 HA HIS 16 HA HIS 16 -22.431 -3.003 8.779 111 HB2 HIS 16 HB2 HIS 16 -24.005 -1.084 8.865 112 HB3 HIS 16 HB3 HIS 16 -23.246 -0.420 7.424 113 HD1 HIS 16 HD1 HIS 16 -25.435 -0.511 6.115 114 HD2 HIS 16 HD2 HIS 16 -24.125 -4.226 7.474 115 HE1 HIS 16 HE1 HIS 16 -26.872 -2.224 4.947 116 HE2 HIS 16 HE2 HIS 16 -26.248 -4.414 6.011 117 H LEU 17 H LEU 17 -20.397 -0.641 7.254 118 HA LEU 17 HA LEU 17 -20.211 -1.801 4.695 119 HB2 LEU 17 HB2 LEU 17 -19.471 0.492 5.258 120 HB3 LEU 17 HB3 LEU 17 -18.160 -0.178 6.207 121 HG LEU 17 HG LEU 17 -17.190 -1.158 4.178 122 HD11 LEU 17 HD11 LEU 17 -18.082 -0.495 1.989 123 HD12 LEU 17 HD12 LEU 17 -19.472 0.231 2.797 124 HD13 LEU 17 HD13 LEU 17 -19.206 -1.508 2.893 125 HD21 LEU 17 HD21 LEU 17 -16.464 1.037 4.882 126 HD22 LEU 17 HD22 LEU 17 -17.794 1.783 3.995 127 HD23 LEU 17 HD23 LEU 17 -16.513 0.942 3.121 128 H ARG 18 H ARG 18 -18.156 -2.096 7.590 129 HA ARG 18 HA ARG 18 -16.624 -4.222 6.460 130 HB2 ARG 18 HB2 ARG 18 -15.704 -4.515 8.726 131 HB3 ARG 18 HB3 ARG 18 -15.621 -2.848 8.185 132 HG2 ARG 18 HG2 ARG 18 -17.654 -2.377 9.534 133 HG3 ARG 18 HG3 ARG 18 -17.558 -4.023 10.161 134 HD2 ARG 18 HD2 ARG 18 -15.351 -3.566 11.074 135 HD3 ARG 18 HD3 ARG 18 -15.398 -1.935 10.410 136 HE ARG 18 HE ARG 18 -17.455 -2.752 12.336 137 HH11 ARG 18 HH11 ARG 18 -14.644 -0.807 11.568 138 HH12 ARG 18 HH12 ARG 18 -14.831 0.234 12.939 139 HH21 ARG 18 HH21 ARG 18 -17.699 -1.374 14.144 140 HH22 ARG 18 HH22 ARG 18 -16.568 -0.085 14.401 141 H GLU 19 H GLU 19 -19.524 -3.942 8.363 142 HA GLU 19 HA GLU 19 -19.960 -6.460 9.290 143 HB2 GLU 19 HB2 GLU 19 -21.505 -4.610 9.639 144 HB3 GLU 19 HB3 GLU 19 -21.949 -4.647 7.940 145 HG2 GLU 19 HG2 GLU 19 -23.652 -5.662 9.338 146 HG3 GLU 19 HG3 GLU 19 -22.947 -6.828 8.223 147 H LEU 20 H LEU 20 -20.666 -5.226 6.059 148 HA LEU 20 HA LEU 20 -21.569 -7.693 4.980 149 HB2 LEU 20 HB2 LEU 20 -21.332 -4.975 4.154 150 HB3 LEU 20 HB3 LEU 20 -20.583 -5.981 2.935 151 HG LEU 20 HG LEU 20 -22.901 -5.522 2.380 152 HD11 LEU 20 HD11 LEU 20 -22.495 -8.391 3.189 153 HD12 LEU 20 HD12 LEU 20 -21.928 -7.652 1.693 154 HD13 LEU 20 HD13 LEU 20 -23.659 -7.792 2.007 155 HD21 LEU 20 HD21 LEU 20 -24.713 -6.404 3.744 156 HD22 LEU 20 HD22 LEU 20 -23.769 -5.197 4.615 157 HD23 LEU 20 HD23 LEU 20 -23.550 -6.909 4.969 158 H TYR 21 H TYR 21 -18.434 -6.085 5.089 159 HA TYR 21 HA TYR 21 -17.179 -7.712 3.118 160 HB2 TYR 21 HB2 TYR 21 -16.270 -5.514 3.642 161 HB3 TYR 21 HB3 TYR 21 -15.994 -5.991 5.312 162 HD1 TYR 21 HD1 TYR 21 -13.912 -6.829 5.937 163 HD2 TYR 21 HD2 TYR 21 -14.991 -6.885 1.825 164 HE1 TYR 21 HE1 TYR 21 -11.642 -7.574 5.356 165 HE2 TYR 21 HE2 TYR 21 -12.727 -7.621 1.231 166 HH TYR 21 HH TYR 21 -10.446 -7.563 2.162 167 H LEU 22 H LEU 22 -17.182 -7.707 6.652 168 HA LEU 22 HA LEU 22 -15.378 -9.814 7.026 169 HB2 LEU 22 HB2 LEU 22 -17.706 -9.064 8.795 170 HB3 LEU 22 HB3 LEU 22 -16.277 -9.952 9.275 171 HG LEU 22 HG LEU 22 -16.382 -7.052 8.452 172 HD11 LEU 22 HD11 LEU 22 -15.812 -8.342 11.112 173 HD12 LEU 22 HD12 LEU 22 -17.284 -7.479 10.670 174 HD13 LEU 22 HD13 LEU 22 -15.748 -6.616 10.761 175 HD21 LEU 22 HD21 LEU 22 -14.025 -6.953 9.021 176 HD22 LEU 22 HD22 LEU 22 -14.298 -8.103 7.713 177 HD23 LEU 22 HD23 LEU 22 -14.012 -8.684 9.351 178 H ALA 23 H ALA 23 -18.776 -9.764 6.289 179 HA ALA 23 HA ALA 23 -19.242 -12.519 6.928 180 HB1 ALA 23 HB1 ALA 23 -21.456 -12.137 6.007 181 HB2 ALA 23 HB2 ALA 23 -20.933 -10.587 5.349 182 HB3 ALA 23 HB3 ALA 23 -21.000 -10.827 7.095 183 H ASN 24 H ASN 24 -18.607 -10.722 3.917 184 HA ASN 24 HA ASN 24 -19.001 -13.221 2.415 185 HB2 ASN 24 HB2 ASN 24 -19.102 -10.340 1.510 186 HB3 ASN 24 HB3 ASN 24 -19.255 -11.724 0.434 187 HD21 ASN 24 HD21 ASN 24 -20.754 -9.895 2.984 188 HD22 ASN 24 HD22 ASN 24 -22.343 -10.560 2.797 189 H LYS 25 H LYS 25 -16.494 -12.189 3.822 190 HA LYS 25 HA LYS 25 -14.670 -11.592 1.660 191 HB2 LYS 25 HB2 LYS 25 -12.987 -11.386 3.362 192 HB3 LYS 25 HB3 LYS 25 -14.454 -10.623 3.963 193 HG2 LYS 25 HG2 LYS 25 -14.959 -12.705 5.214 194 HG3 LYS 25 HG3 LYS 25 -13.398 -13.342 4.697 195 HD2 LYS 25 HD2 LYS 25 -12.321 -11.367 5.778 196 HD3 LYS 25 HD3 LYS 25 -13.901 -10.924 6.421 197 HE2 LYS 25 HE2 LYS 25 -12.295 -13.400 7.003 198 HE3 LYS 25 HE3 LYS 25 -12.760 -12.124 8.126 199 HZ1 LYS 25 HZ1 LYS 25 -14.536 -14.138 6.846 200 HZ2 LYS 25 HZ2 LYS 25 -15.110 -12.801 7.720 201 HZ3 LYS 25 HZ3 LYS 25 -14.174 -13.976 8.494 202 H ASP 26 H ASP 26 -15.939 -14.425 2.966 203 HA ASP 26 HA ASP 26 -13.484 -15.954 2.482 204 HB2 ASP 26 HB2 ASP 26 -15.983 -16.728 4.003 205 HB3 ASP 26 HB3 ASP 26 -14.555 -17.743 3.815 206 H VAL 27 H VAL 27 -15.715 -14.968 0.584 207 HA VAL 27 HA VAL 27 -16.278 -17.572 -0.670 208 HB VAL 27 HB VAL 27 -17.714 -14.958 -1.178 209 HG11 VAL 27 HG11 VAL 27 -18.370 -17.787 -1.999 210 HG12 VAL 27 HG12 VAL 27 -17.781 -16.505 -3.058 211 HG13 VAL 27 HG13 VAL 27 -19.371 -16.367 -2.307 212 HG21 VAL 27 HG21 VAL 27 -19.578 -15.898 0.109 213 HG22 VAL 27 HG22 VAL 27 -18.138 -15.705 1.108 214 HG23 VAL 27 HG23 VAL 27 -18.591 -17.302 0.512 215 H GLU 28 H GLU 28 -14.767 -17.980 -2.136 216 HA GLU 28 HA GLU 28 -13.624 -15.789 -3.670 217 HB2 GLU 28 HB2 GLU 28 -12.944 -18.729 -3.596 218 HB3 GLU 28 HB3 GLU 28 -12.097 -17.532 -4.565 219 HG2 GLU 28 HG2 GLU 28 -11.504 -16.328 -2.494 220 HG3 GLU 28 HG3 GLU 28 -12.268 -17.615 -1.563 221 H GLY 29 H GLY 29 -13.475 -15.916 -5.989 222 HA2 GLY 29 HA2 GLY 29 -14.362 -16.323 -8.111 223 HA3 GLY 29 HA3 GLY 29 -15.449 -17.512 -7.398 224 H GLN 30 H GLN 30 -15.444 -14.745 -5.612 225 HA GLN 30 HA GLN 30 -17.782 -13.621 -6.971 226 HB2 GLN 30 HB2 GLN 30 -18.796 -14.765 -5.231 227 HB3 GLN 30 HB3 GLN 30 -17.412 -14.602 -4.173 228 HG2 GLN 30 HG2 GLN 30 -18.900 -12.127 -4.817 229 HG3 GLN 30 HG3 GLN 30 -19.699 -13.309 -3.781 230 HE21 GLN 30 HE21 GLN 30 -19.587 -11.928 -1.990 231 HE22 GLN 30 HE22 GLN 30 -18.105 -11.628 -1.162 232 H ASP 31 H ASP 31 -18.056 -11.358 -6.688 233 HA ASP 31 HA ASP 31 -15.660 -9.877 -6.029 234 HB2 ASP 31 HB2 ASP 31 -18.442 -8.882 -6.660 235 HB3 ASP 31 HB3 ASP 31 -17.003 -7.881 -6.548 236 H VAL 32 H VAL 32 -15.241 -9.930 -3.842 237 HA VAL 32 HA VAL 32 -17.137 -9.971 -1.803 238 HB VAL 32 HB VAL 32 -14.643 -10.342 -1.524 239 HG11 VAL 32 HG11 VAL 32 -13.795 -8.366 -2.611 240 HG12 VAL 32 HG12 VAL 32 -13.305 -8.340 -0.916 241 HG13 VAL 32 HG13 VAL 32 -14.645 -7.325 -1.465 242 HG21 VAL 32 HG21 VAL 32 -16.116 -10.280 0.385 243 HG22 VAL 32 HG22 VAL 32 -16.065 -8.518 0.410 244 HG23 VAL 32 HG23 VAL 32 -14.612 -9.446 0.780 245 H VAL 33 H VAL 33 -15.770 -7.324 -3.608 246 HA VAL 33 HA VAL 33 -16.674 -5.177 -2.025 247 HB VAL 33 HB VAL 33 -16.628 -4.804 -4.957 248 HG11 VAL 33 HG11 VAL 33 -15.475 -3.330 -2.615 249 HG12 VAL 33 HG12 VAL 33 -16.837 -2.871 -3.629 250 HG13 VAL 33 HG13 VAL 33 -15.205 -2.858 -4.291 251 HG21 VAL 33 HG21 VAL 33 -14.884 -6.352 -4.962 252 HG22 VAL 33 HG22 VAL 33 -14.231 -5.761 -3.439 253 HG23 VAL 33 HG23 VAL 33 -14.082 -4.782 -4.899 254 H GLU 34 H GLU 34 -17.984 -6.786 -4.864 255 HA GLU 34 HA GLU 34 -20.233 -5.121 -5.159 256 HB2 GLU 34 HB2 GLU 34 -19.009 -6.823 -6.777 257 HB3 GLU 34 HB3 GLU 34 -20.233 -7.926 -6.166 258 HG2 GLU 34 HG2 GLU 34 -21.105 -5.273 -7.166 259 HG3 GLU 34 HG3 GLU 34 -20.599 -6.489 -8.338 260 H ALA 35 H ALA 35 -19.633 -8.095 -3.413 261 HA ALA 35 HA ALA 35 -22.243 -8.726 -2.637 262 HB1 ALA 35 HB1 ALA 35 -20.282 -10.148 -2.199 263 HB2 ALA 35 HB2 ALA 35 -21.242 -9.865 -0.746 264 HB3 ALA 35 HB3 ALA 35 -19.731 -8.985 -0.990 265 H ILE 36 H ILE 36 -19.862 -6.586 -1.167 266 HA ILE 36 HA ILE 36 -21.452 -5.766 1.033 267 HB ILE 36 HB ILE 36 -19.196 -4.287 -0.328 268 HG12 ILE 36 HG12 ILE 36 -18.974 -6.131 2.042 269 HG13 ILE 36 HG13 ILE 36 -18.737 -6.685 0.389 270 HG21 ILE 36 HG21 ILE 36 -18.858 -3.264 1.883 271 HG22 ILE 36 HG22 ILE 36 -20.307 -4.083 2.462 272 HG23 ILE 36 HG23 ILE 36 -20.431 -2.873 1.189 273 HD11 ILE 36 HD11 ILE 36 -16.639 -6.195 1.486 274 HD12 ILE 36 HD12 ILE 36 -17.158 -4.540 1.774 275 HD13 ILE 36 HD13 ILE 36 -16.904 -5.111 0.125 276 H LEU 37 H LEU 37 -20.480 -4.002 -1.897 277 HA LEU 37 HA LEU 37 -21.991 -1.736 -1.148 278 HB2 LEU 37 HB2 LEU 37 -21.419 -0.923 -3.467 279 HB3 LEU 37 HB3 LEU 37 -20.109 -1.296 -2.380 280 HG LEU 37 HG LEU 37 -19.841 -3.499 -3.574 281 HD11 LEU 37 HD11 LEU 37 -20.743 -3.491 -5.928 282 HD12 LEU 37 HD12 LEU 37 -21.811 -2.177 -5.439 283 HD13 LEU 37 HD13 LEU 37 -21.943 -3.755 -4.664 284 HD21 LEU 37 HD21 LEU 37 -19.442 -0.922 -5.071 285 HD22 LEU 37 HD22 LEU 37 -18.708 -2.466 -5.511 286 HD23 LEU 37 HD23 LEU 37 -18.316 -1.711 -3.969 287 H ALA 38 H ALA 38 -22.944 -4.527 -2.870 288 HA ALA 38 HA ALA 38 -25.162 -3.174 -4.164 289 HB1 ALA 38 HB1 ALA 38 -25.706 -5.315 -5.123 290 HB2 ALA 38 HB2 ALA 38 -24.537 -6.113 -4.071 291 HB3 ALA 38 HB3 ALA 38 -23.983 -4.993 -5.315 292 H HIS 39 H HIS 39 -24.582 -5.230 -1.377 293 HA HIS 39 HA HIS 39 -27.375 -5.751 -0.948 294 HB2 HIS 39 HB2 HIS 39 -24.900 -6.292 0.670 295 HB3 HIS 39 HB3 HIS 39 -26.505 -6.550 1.346 296 HD1 HIS 39 HD1 HIS 39 -27.366 -8.837 1.050 297 HD2 HIS 39 HD2 HIS 39 -24.639 -7.831 -1.918 298 HE1 HIS 39 HE1 HIS 39 -27.121 -10.897 -0.367 299 HE2 HIS 39 HE2 HIS 39 -25.579 -10.219 -2.247 300 H LEU 40 H LEU 40 -25.073 -3.357 0.148 301 HA LEU 40 HA LEU 40 -27.241 -2.178 1.724 302 HB2 LEU 40 HB2 LEU 40 -25.284 -0.660 2.566 303 HB3 LEU 40 HB3 LEU 40 -25.567 -2.243 3.248 304 HG LEU 40 HG LEU 40 -23.759 -3.069 1.610 305 HD11 LEU 40 HD11 LEU 40 -23.594 -1.147 0.182 306 HD12 LEU 40 HD12 LEU 40 -22.072 -1.362 1.049 307 HD13 LEU 40 HD13 LEU 40 -23.208 -0.112 1.560 308 HD21 LEU 40 HD21 LEU 40 -22.005 -2.527 3.189 309 HD22 LEU 40 HD22 LEU 40 -23.501 -2.901 4.046 310 HD23 LEU 40 HD23 LEU 40 -22.986 -1.224 3.862 311 H ASN 41 H ASN 41 -28.293 -1.423 -0.180 312 HA ASN 41 HA ASN 41 -26.982 0.735 -1.638 313 HB2 ASN 41 HB2 ASN 41 -29.041 0.806 -2.988 314 HB3 ASN 41 HB3 ASN 41 -28.382 -0.821 -2.916 315 HD21 ASN 41 HD21 ASN 41 -31.084 0.144 -3.485 316 HD22 ASN 41 HD22 ASN 41 -32.116 -0.666 -2.360 317 H THR 42 H THR 42 -27.283 1.074 1.079 318 HA THR 42 HA THR 42 -29.456 2.872 1.629 319 HB THR 42 HB THR 42 -28.813 1.717 3.538 320 HG1 THR 42 HG1 THR 42 -27.360 3.383 4.738 321 HG21 THR 42 HG21 THR 42 -26.805 0.663 2.770 322 HG22 THR 42 HG22 THR 42 -26.438 1.472 4.292 323 HG23 THR 42 HG23 THR 42 -25.937 2.196 2.760 324 H VAL 43 H VAL 43 -26.241 3.023 0.450 325 HA VAL 43 HA VAL 43 -26.406 5.954 0.309 326 HB VAL 43 HB VAL 43 -23.679 5.256 0.159 327 HG11 VAL 43 HG11 VAL 43 -24.588 7.349 1.012 328 HG12 VAL 43 HG12 VAL 43 -23.461 6.622 2.159 329 HG13 VAL 43 HG13 VAL 43 -25.201 6.510 2.436 330 HG21 VAL 43 HG21 VAL 43 -24.321 3.116 1.268 331 HG22 VAL 43 HG22 VAL 43 -24.890 4.058 2.645 332 HG23 VAL 43 HG23 VAL 43 -23.185 4.098 2.195 333 HA PRO 44 HA PRO 44 -25.809 4.916 -4.055 334 HB2 PRO 44 HB2 PRO 44 -26.256 7.362 -5.031 335 HB3 PRO 44 HB3 PRO 44 -27.585 6.408 -4.355 336 HG2 PRO 44 HG2 PRO 44 -25.973 8.591 -3.052 337 HG3 PRO 44 HG3 PRO 44 -27.741 8.387 -3.097 338 HD2 PRO 44 HD2 PRO 44 -26.224 7.617 -0.980 339 HD3 PRO 44 HD3 PRO 44 -27.720 6.779 -1.444 340 H ARG 45 H ARG 45 -23.593 4.486 -4.233 341 HA ARG 45 HA ARG 45 -21.847 6.844 -4.439 342 HB2 ARG 45 HB2 ARG 45 -20.610 4.483 -3.183 343 HB3 ARG 45 HB3 ARG 45 -20.380 6.189 -2.854 344 HG2 ARG 45 HG2 ARG 45 -21.987 6.257 -1.269 345 HG3 ARG 45 HG3 ARG 45 -22.958 4.999 -2.039 346 HD2 ARG 45 HD2 ARG 45 -20.415 3.944 -1.178 347 HD3 ARG 45 HD3 ARG 45 -21.246 4.743 0.150 348 HE ARG 45 HE ARG 45 -22.615 2.949 0.251 349 HH11 ARG 45 HH11 ARG 45 -21.456 3.096 -3.063 350 HH12 ARG 45 HH12 ARG 45 -22.323 1.685 -3.559 351 HH21 ARG 45 HH21 ARG 45 -23.752 1.075 -0.429 352 HH22 ARG 45 HH22 ARG 45 -23.616 0.541 -2.073 353 H THR 46 H THR 46 -19.630 6.162 -5.194 354 HA THR 46 HA THR 46 -19.803 4.358 -7.444 355 HB THR 46 HB THR 46 -18.530 6.412 -7.747 356 HG1 THR 46 HG1 THR 46 -16.762 5.487 -8.688 357 HG21 THR 46 HG21 THR 46 -17.801 6.897 -5.508 358 HG22 THR 46 HG22 THR 46 -16.371 6.727 -6.523 359 HG23 THR 46 HG23 THR 46 -16.848 5.416 -5.451 360 H ARG 47 H ARG 47 -17.850 2.782 -7.677 361 HA ARG 47 HA ARG 47 -18.023 0.937 -5.486 362 HB2 ARG 47 HB2 ARG 47 -16.046 0.731 -7.752 363 HB3 ARG 47 HB3 ARG 47 -16.784 -0.568 -6.829 364 HG2 ARG 47 HG2 ARG 47 -18.182 1.194 -8.833 365 HG3 ARG 47 HG3 ARG 47 -17.662 -0.469 -9.091 366 HD2 ARG 47 HD2 ARG 47 -19.147 -1.081 -7.129 367 HD3 ARG 47 HD3 ARG 47 -19.817 0.545 -7.254 368 HE ARG 47 HE ARG 47 -19.883 -0.751 -9.766 369 HH11 ARG 47 HH11 ARG 47 -21.555 -0.626 -6.684 370 HH12 ARG 47 HH12 ARG 47 -22.991 -1.377 -7.296 371 HH21 ARG 47 HH21 ARG 47 -21.779 -1.720 -10.566 372 HH22 ARG 47 HH22 ARG 47 -23.122 -1.995 -9.499 373 H LYS 48 H LYS 48 -15.833 3.356 -6.577 374 HA LYS 48 HA LYS 48 -13.473 2.703 -5.277 375 HB2 LYS 48 HB2 LYS 48 -13.284 4.423 -6.810 376 HB3 LYS 48 HB3 LYS 48 -14.740 5.223 -6.258 377 HG2 LYS 48 HG2 LYS 48 -12.337 5.172 -4.488 378 HG3 LYS 48 HG3 LYS 48 -12.403 6.291 -5.852 379 HD2 LYS 48 HD2 LYS 48 -14.608 7.093 -4.983 380 HD3 LYS 48 HD3 LYS 48 -14.347 6.092 -3.554 381 HE2 LYS 48 HE2 LYS 48 -13.681 8.287 -2.987 382 HE3 LYS 48 HE3 LYS 48 -12.202 7.351 -3.197 383 HZ1 LYS 48 HZ1 LYS 48 -13.388 9.175 -5.220 384 HZ2 LYS 48 HZ2 LYS 48 -11.953 8.304 -5.402 385 HZ3 LYS 48 HZ3 LYS 48 -12.055 9.532 -4.246 386 H GLN 49 H GLN 49 -16.407 4.124 -3.977 387 HA GLN 49 HA GLN 49 -15.331 5.225 -1.609 388 HB2 GLN 49 HB2 GLN 49 -18.075 4.288 -2.414 389 HB3 GLN 49 HB3 GLN 49 -17.757 4.842 -0.779 390 HG2 GLN 49 HG2 GLN 49 -17.241 6.494 -3.235 391 HG3 GLN 49 HG3 GLN 49 -18.730 6.544 -2.301 392 HE21 GLN 49 HE21 GLN 49 -15.443 7.502 -2.459 393 HE22 GLN 49 HE22 GLN 49 -15.438 8.491 -1.043 394 H ILE 50 H ILE 50 -16.787 2.150 -2.386 395 HA ILE 50 HA ILE 50 -17.017 1.108 0.199 396 HB ILE 50 HB ILE 50 -16.575 -0.558 -2.264 397 HG12 ILE 50 HG12 ILE 50 -18.100 1.354 -2.777 398 HG13 ILE 50 HG13 ILE 50 -18.868 -0.210 -2.909 399 HG21 ILE 50 HG21 ILE 50 -18.355 -0.899 0.141 400 HG22 ILE 50 HG22 ILE 50 -16.820 -1.722 -0.133 401 HG23 ILE 50 HG23 ILE 50 -18.194 -2.038 -1.195 402 HD11 ILE 50 HD11 ILE 50 -20.310 1.449 -1.853 403 HD12 ILE 50 HD12 ILE 50 -19.116 1.659 -0.571 404 HD13 ILE 50 HD13 ILE 50 -19.944 0.111 -0.761 405 H ILE 51 H ILE 51 -14.667 0.442 -2.340 406 HA ILE 51 HA ILE 51 -13.028 -1.337 -0.956 407 HB ILE 51 HB ILE 51 -12.172 0.655 -3.057 408 HG12 ILE 51 HG12 ILE 51 -13.158 -2.182 -3.401 409 HG13 ILE 51 HG13 ILE 51 -14.093 -0.736 -3.765 410 HG21 ILE 51 HG21 ILE 51 -10.931 -1.939 -2.159 411 HG22 ILE 51 HG22 ILE 51 -10.269 -0.319 -1.944 412 HG23 ILE 51 HG23 ILE 51 -10.415 -1.004 -3.562 413 HD11 ILE 51 HD11 ILE 51 -13.162 -1.706 -5.778 414 HD12 ILE 51 HD12 ILE 51 -11.536 -1.572 -5.108 415 HD13 ILE 51 HD13 ILE 51 -12.465 -0.116 -5.472 416 H HIS 52 H HIS 52 -12.832 2.161 -1.292 417 HA HIS 52 HA HIS 52 -10.345 2.418 -0.006 418 HB2 HIS 52 HB2 HIS 52 -12.489 4.341 -0.797 419 HB3 HIS 52 HB3 HIS 52 -11.157 4.886 0.217 420 HD1 HIS 52 HD1 HIS 52 -9.621 6.128 -1.263 421 HD2 HIS 52 HD2 HIS 52 -10.986 2.626 -3.056 422 HE1 HIS 52 HE1 HIS 52 -8.344 5.921 -3.407 423 HE2 HIS 52 HE2 HIS 52 -9.338 3.916 -4.573 424 H HIS 53 H HIS 53 -13.663 2.991 1.239 425 HA HIS 53 HA HIS 53 -12.805 3.915 3.762 426 HB2 HIS 53 HB2 HIS 53 -15.395 2.482 3.152 427 HB3 HIS 53 HB3 HIS 53 -15.077 3.522 4.534 428 HD1 HIS 53 HD1 HIS 53 -13.594 5.713 2.673 429 HD2 HIS 53 HD2 HIS 53 -17.423 4.147 2.187 430 HE1 HIS 53 HE1 HIS 53 -14.804 7.351 1.218 431 HE2 HIS 53 HE2 HIS 53 -17.184 6.552 1.219 432 H LEU 54 H LEU 54 -12.983 0.740 2.474 433 HA LEU 54 HA LEU 54 -13.070 -0.571 5.050 434 HB2 LEU 54 HB2 LEU 54 -12.929 -1.547 2.217 435 HB3 LEU 54 HB3 LEU 54 -12.655 -2.641 3.558 436 HG LEU 54 HG LEU 54 -15.166 -0.997 3.317 437 HD11 LEU 54 HD11 LEU 54 -14.930 -2.427 1.329 438 HD12 LEU 54 HD12 LEU 54 -16.257 -2.936 2.373 439 HD13 LEU 54 HD13 LEU 54 -14.736 -3.829 2.382 440 HD21 LEU 54 HD21 LEU 54 -14.497 -3.504 4.863 441 HD22 LEU 54 HD22 LEU 54 -16.053 -2.675 4.856 442 HD23 LEU 54 HD23 LEU 54 -14.635 -1.881 5.539 443 H VAL 55 H VAL 55 -10.732 -0.293 2.377 444 HA VAL 55 HA VAL 55 -8.656 -1.606 3.816 445 HB VAL 55 HB VAL 55 -7.147 -0.889 2.070 446 HG11 VAL 55 HG11 VAL 55 -8.331 -1.785 0.110 447 HG12 VAL 55 HG12 VAL 55 -9.854 -1.651 0.990 448 HG13 VAL 55 HG13 VAL 55 -8.598 -2.749 1.562 449 HG21 VAL 55 HG21 VAL 55 -7.877 0.598 0.258 450 HG22 VAL 55 HG22 VAL 55 -7.860 1.422 1.817 451 HG23 VAL 55 HG23 VAL 55 -9.388 0.892 1.116 452 H GLN 56 H GLN 56 -9.678 1.718 3.487 453 HA GLN 56 HA GLN 56 -7.447 2.885 4.801 454 HB2 GLN 56 HB2 GLN 56 -10.251 3.818 4.238 455 HB3 GLN 56 HB3 GLN 56 -9.124 4.800 5.140 456 HG2 GLN 56 HG2 GLN 56 -7.579 4.750 3.212 457 HG3 GLN 56 HG3 GLN 56 -8.785 3.835 2.306 458 HE21 GLN 56 HE21 GLN 56 -9.098 5.362 0.754 459 HE22 GLN 56 HE22 GLN 56 -9.860 6.884 1.051 460 H MET 57 H MET 57 -10.352 1.314 5.879 461 HA MET 57 HA MET 57 -10.195 2.329 8.559 462 HB2 MET 57 HB2 MET 57 -12.339 1.694 7.510 463 HB3 MET 57 HB3 MET 57 -11.807 0.021 7.466 464 HG2 MET 57 HG2 MET 57 -12.202 -0.305 9.663 465 HG3 MET 57 HG3 MET 57 -11.765 1.344 10.101 466 HE1 MET 57 HE1 MET 57 -14.257 0.678 7.180 467 HE2 MET 57 HE2 MET 57 -15.808 0.535 8.010 468 HE3 MET 57 HE3 MET 57 -14.598 -0.734 8.180 469 H GLY 58 H GLY 58 -8.302 0.238 6.923 470 HA2 GLY 58 HA2 GLY 58 -6.487 -0.940 7.708 471 HA3 GLY 58 HA3 GLY 58 -6.973 -0.508 9.338 472 H LEU 59 H LEU 59 -9.476 -1.977 7.602 473 HA LEU 59 HA LEU 59 -8.966 -4.490 8.993 474 HB2 LEU 59 HB2 LEU 59 -11.308 -5.042 8.445 475 HB3 LEU 59 HB3 LEU 59 -11.141 -3.592 9.410 476 HG LEU 59 HG LEU 59 -11.289 -2.379 7.091 477 HD11 LEU 59 HD11 LEU 59 -12.678 -3.503 5.484 478 HD12 LEU 59 HD12 LEU 59 -12.769 -4.934 6.505 479 HD13 LEU 59 HD13 LEU 59 -11.232 -4.467 5.776 480 HD21 LEU 59 HD21 LEU 59 -12.866 -2.066 8.865 481 HD22 LEU 59 HD22 LEU 59 -13.621 -3.622 8.520 482 HD23 LEU 59 HD23 LEU 59 -13.739 -2.307 7.352 483 H ALA 60 H ALA 60 -8.939 -3.048 5.907 484 HA ALA 60 HA ALA 60 -8.360 -5.686 4.725 485 HB1 ALA 60 HB1 ALA 60 -9.638 -3.318 3.366 486 HB2 ALA 60 HB2 ALA 60 -10.421 -4.845 3.780 487 HB3 ALA 60 HB3 ALA 60 -9.142 -4.808 2.567 488 H ASP 61 H ASP 61 -6.972 -5.425 2.691 489 HA ASP 61 HA ASP 61 -4.577 -4.113 3.596 490 HB2 ASP 61 HB2 ASP 61 -5.196 -5.859 1.220 491 HB3 ASP 61 HB3 ASP 61 -3.614 -5.134 1.468 492 H SER 62 H SER 62 -6.233 -4.054 0.429 493 HA SER 62 HA SER 62 -5.803 -1.252 0.036 494 HB2 SER 62 HB2 SER 62 -4.023 -3.202 -1.440 495 HB3 SER 62 HB3 SER 62 -4.157 -1.486 -1.801 496 HG SER 62 HG SER 62 -3.631 -1.739 0.790 497 H VAL 63 H VAL 63 -6.134 -0.746 -2.430 498 HA VAL 63 HA VAL 63 -8.500 -1.860 -3.436 499 HB VAL 63 HB VAL 63 -6.240 -0.447 -4.871 500 HG11 VAL 63 HG11 VAL 63 -7.438 -1.828 -6.475 501 HG12 VAL 63 HG12 VAL 63 -7.778 -0.117 -6.743 502 HG13 VAL 63 HG13 VAL 63 -8.974 -1.138 -5.944 503 HG21 VAL 63 HG21 VAL 63 -7.757 1.469 -4.857 504 HG22 VAL 63 HG22 VAL 63 -7.418 0.902 -3.220 505 HG23 VAL 63 HG23 VAL 63 -8.958 0.512 -3.987 506 H LYS 64 H LYS 64 -5.188 -2.797 -3.688 507 HA LYS 64 HA LYS 64 -5.291 -4.709 -5.726 508 HB2 LYS 64 HB2 LYS 64 -3.587 -4.630 -3.235 509 HB3 LYS 64 HB3 LYS 64 -3.254 -5.606 -4.653 510 HG2 LYS 64 HG2 LYS 64 -2.901 -3.629 -5.992 511 HG3 LYS 64 HG3 LYS 64 -3.376 -2.595 -4.645 512 HD2 LYS 64 HD2 LYS 64 -1.016 -4.484 -4.533 513 HD3 LYS 64 HD3 LYS 64 -0.878 -2.799 -5.030 514 HE2 LYS 64 HE2 LYS 64 -2.103 -3.592 -2.402 515 HE3 LYS 64 HE3 LYS 64 -0.368 -3.365 -2.589 516 HZ1 LYS 64 HZ1 LYS 64 -1.588 -1.383 -1.770 517 HZ2 LYS 64 HZ2 LYS 64 -2.376 -1.291 -3.264 518 HZ3 LYS 64 HZ3 LYS 64 -0.700 -1.104 -3.183 519 H ASP 65 H ASP 65 -6.610 -4.756 -2.558 520 HA ASP 65 HA ASP 65 -6.771 -7.661 -2.422 521 HB2 ASP 65 HB2 ASP 65 -6.272 -6.404 -0.373 522 HB3 ASP 65 HB3 ASP 65 -7.779 -5.517 -0.535 523 H PHE 66 H PHE 66 -8.633 -5.025 -3.554 524 HA PHE 66 HA PHE 66 -11.139 -6.546 -3.334 525 HB2 PHE 66 HB2 PHE 66 -10.560 -3.612 -3.545 526 HB3 PHE 66 HB3 PHE 66 -12.142 -4.244 -3.974 527 HD1 PHE 66 HD1 PHE 66 -13.760 -4.220 -2.353 528 HD2 PHE 66 HD2 PHE 66 -9.670 -4.499 -1.203 529 HE1 PHE 66 HE1 PHE 66 -14.417 -4.150 0.009 530 HE2 PHE 66 HE2 PHE 66 -10.329 -4.430 1.155 531 HZ PHE 66 HZ PHE 66 -12.701 -4.257 1.771 532 H GLN 67 H GLN 67 -9.208 -4.654 -5.661 533 HA GLN 67 HA GLN 67 -11.042 -5.629 -7.737 534 HB2 GLN 67 HB2 GLN 67 -10.482 -2.880 -6.938 535 HB3 GLN 67 HB3 GLN 67 -10.303 -3.156 -8.673 536 HG2 GLN 67 HG2 GLN 67 -12.595 -4.217 -8.610 537 HG3 GLN 67 HG3 GLN 67 -12.737 -3.602 -6.963 538 HE21 GLN 67 HE21 GLN 67 -14.455 -2.258 -7.491 539 HE22 GLN 67 HE22 GLN 67 -14.250 -0.826 -8.438 540 H ARG 68 H ARG 68 -7.808 -4.622 -6.976 541 HA ARG 68 HA ARG 68 -6.997 -5.210 -9.729 542 HB2 ARG 68 HB2 ARG 68 -5.432 -3.930 -7.483 543 HB3 ARG 68 HB3 ARG 68 -4.822 -4.213 -9.106 544 HG2 ARG 68 HG2 ARG 68 -6.526 -2.718 -10.010 545 HG3 ARG 68 HG3 ARG 68 -7.139 -2.431 -8.379 546 HD2 ARG 68 HD2 ARG 68 -4.858 -1.605 -7.765 547 HD3 ARG 68 HD3 ARG 68 -4.424 -1.717 -9.469 548 HE ARG 68 HE ARG 68 -6.706 -0.181 -9.387 549 HH11 ARG 68 HH11 ARG 68 -3.470 -0.010 -8.087 550 HH12 ARG 68 HH12 ARG 68 -3.446 1.724 -8.012 551 HH21 ARG 68 HH21 ARG 68 -6.691 2.115 -9.297 552 HH22 ARG 68 HH22 ARG 68 -5.282 2.931 -8.709 553 H LYS 69 H LYS 69 -6.728 -7.337 -9.987 554 HA LYS 69 HA LYS 69 -5.796 -9.126 -8.022 555 HB2 LYS 69 HB2 LYS 69 -5.935 -9.310 -11.024 556 HB3 LYS 69 HB3 LYS 69 -5.293 -10.619 -10.044 557 HG2 LYS 69 HG2 LYS 69 -7.473 -10.653 -8.817 558 HG3 LYS 69 HG3 LYS 69 -8.082 -9.504 -10.009 559 HD2 LYS 69 HD2 LYS 69 -7.674 -11.086 -11.796 560 HD3 LYS 69 HD3 LYS 69 -6.945 -12.219 -10.659 561 HE2 LYS 69 HE2 LYS 69 -9.190 -12.930 -11.121 562 HE3 LYS 69 HE3 LYS 69 -9.107 -12.343 -9.462 563 HZ1 LYS 69 HZ1 LYS 69 -10.046 -10.231 -10.223 564 HZ2 LYS 69 HZ2 LYS 69 -11.083 -11.529 -10.535 565 HZ3 LYS 69 HZ3 LYS 69 -10.178 -10.849 -11.796 566 H GLY 70 H GLY 70 -4.163 -6.833 -9.904 567 HA2 GLY 70 HA2 GLY 70 -1.562 -8.031 -9.840 568 HA3 GLY 70 HA3 GLY 70 -1.933 -6.337 -10.145 569 H THR 71 H THR 71 -1.878 -8.727 -7.525 570 HA THR 71 HA THR 71 -1.810 -7.034 -5.346 571 HB THR 71 HB THR 71 -0.314 -8.887 -4.308 572 HG1 THR 71 HG1 THR 71 -0.347 -10.832 -5.558 573 HG21 THR 71 HG21 THR 71 -2.732 -8.724 -3.936 574 HG22 THR 71 HG22 THR 71 -2.230 -10.405 -4.103 575 HG23 THR 71 HG23 THR 71 -3.030 -9.586 -5.445 576 H HIS 72 H HIS 72 -0.092 -6.137 -4.114 577 HA HIS 72 HA HIS 72 1.845 -4.862 -5.671 578 HB2 HIS 72 HB2 HIS 72 1.246 -3.826 -3.598 579 HB3 HIS 72 HB3 HIS 72 1.714 -5.260 -2.683 580 HD1 HIS 72 HD1 HIS 72 3.125 -2.292 -4.450 581 HD2 HIS 72 HD2 HIS 72 4.489 -5.570 -2.312 582 HE1 HIS 72 HE1 HIS 72 5.564 -1.919 -4.090 583 HE2 HIS 72 HE2 HIS 72 6.243 -3.691 -2.431 584 H ILE 73 H ILE 73 1.886 -7.787 -3.836 585 HA ILE 73 HA ILE 73 4.716 -8.034 -4.329 586 HB ILE 73 HB ILE 73 2.843 -9.329 -2.468 587 HG12 ILE 73 HG12 ILE 73 4.122 -7.416 -1.762 588 HG13 ILE 73 HG13 ILE 73 4.734 -8.841 -0.927 589 HG21 ILE 73 HG21 ILE 73 4.049 -11.168 -3.749 590 HG22 ILE 73 HG22 ILE 73 4.224 -11.180 -1.996 591 HG23 ILE 73 HG23 ILE 73 5.526 -10.560 -3.005 592 HD11 ILE 73 HD11 ILE 73 5.988 -7.335 -3.212 593 HD12 ILE 73 HD12 ILE 73 6.520 -8.947 -2.736 594 HD13 ILE 73 HD13 ILE 73 6.631 -7.608 -1.592 595 H VAL 74 H VAL 74 5.205 -8.607 -6.131 596 HA VAL 74 HA VAL 74 4.140 -10.386 -7.947 597 HB VAL 74 HB VAL 74 7.052 -9.869 -7.285 598 HG11 VAL 74 HG11 VAL 74 5.759 -10.735 -9.857 599 HG12 VAL 74 HG12 VAL 74 6.815 -11.702 -8.824 600 HG13 VAL 74 HG13 VAL 74 7.454 -10.289 -9.661 601 HG21 VAL 74 HG21 VAL 74 6.851 -8.061 -8.995 602 HG22 VAL 74 HG22 VAL 74 5.983 -7.765 -7.483 603 HG23 VAL 74 HG23 VAL 74 5.099 -8.283 -8.926 604 H LEU 75 H LEU 75 4.595 -12.680 -8.269 605 HA LEU 75 HA LEU 75 4.522 -14.200 -5.915 606 HB2 LEU 75 HB2 LEU 75 4.839 -16.181 -7.392 607 HB3 LEU 75 HB3 LEU 75 3.524 -15.122 -7.862 608 HG LEU 75 HG LEU 75 6.051 -14.519 -9.231 609 HD11 LEU 75 HD11 LEU 75 4.684 -17.168 -9.698 610 HD12 LEU 75 HD12 LEU 75 6.303 -16.937 -9.039 611 HD13 LEU 75 HD13 LEU 75 5.955 -16.470 -10.703 612 HD21 LEU 75 HD21 LEU 75 4.583 -14.451 -11.170 613 HD22 LEU 75 HD22 LEU 75 3.856 -13.555 -9.838 614 HD23 LEU 75 HD23 LEU 75 3.275 -15.170 -10.231 615 H TRP 76 H TRP 76 6.300 -13.454 -4.712 616 HA TRP 76 HA TRP 76 8.988 -13.895 -5.674 617 HB2 TRP 76 HB2 TRP 76 7.838 -12.708 -3.154 618 HB3 TRP 76 HB3 TRP 76 9.556 -13.057 -3.297 619 HD1 TRP 76 HD1 TRP 76 6.917 -10.573 -4.359 620 HE1 TRP 76 HE1 TRP 76 8.027 -8.587 -5.534 621 HE3 TRP 76 HE3 TRP 76 11.628 -12.480 -4.852 622 HZ2 TRP 76 HZ2 TRP 76 10.571 -7.910 -6.538 623 HZ3 TRP 76 HZ3 TRP 76 13.344 -11.088 -5.936 624 HH2 TRP 76 HH2 TRP 76 12.823 -8.857 -6.757 625 H THR 77 H THR 77 9.663 -15.903 -5.687 626 HA THR 77 HA THR 77 9.237 -17.567 -3.312 627 HB THR 77 HB THR 77 10.195 -19.381 -4.826 628 HG1 THR 77 HG1 THR 77 10.787 -18.826 -6.779 629 HG21 THR 77 HG21 THR 77 7.606 -18.040 -5.628 630 HG22 THR 77 HG22 THR 77 7.807 -19.247 -4.357 631 HG23 THR 77 HG23 THR 77 8.066 -19.693 -6.043 632 H GLY 78 H GLY 78 11.274 -19.011 -2.869 633 HA2 GLY 78 HA2 GLY 78 13.319 -17.397 -1.922 634 HA3 GLY 78 HA3 GLY 78 13.469 -19.125 -2.199 635 H ASP 79 H ASP 79 13.068 -19.056 -5.014 636 HA ASP 79 HA ASP 79 15.706 -18.407 -5.874 637 HB2 ASP 79 HB2 ASP 79 14.865 -19.115 -8.123 638 HB3 ASP 79 HB3 ASP 79 14.618 -20.307 -6.853 639 H GLN 80 H GLN 80 12.515 -16.891 -6.355 640 HA GLN 80 HA GLN 80 13.412 -15.015 -8.277 641 HB2 GLN 80 HB2 GLN 80 10.949 -15.675 -7.264 642 HB3 GLN 80 HB3 GLN 80 11.211 -14.073 -6.577 643 HG2 GLN 80 HG2 GLN 80 11.830 -13.347 -8.937 644 HG3 GLN 80 HG3 GLN 80 11.145 -14.878 -9.466 645 HE21 GLN 80 HE21 GLN 80 9.920 -12.866 -6.837 646 HE22 GLN 80 HE22 GLN 80 8.426 -12.486 -7.612 647 H GLU 81 H GLU 81 13.155 -14.911 -4.760 648 HA GLU 81 HA GLU 81 14.001 -12.237 -4.429 649 HB2 GLU 81 HB2 GLU 81 14.372 -14.588 -2.558 650 HB3 GLU 81 HB3 GLU 81 14.511 -12.891 -2.117 651 HG2 GLU 81 HG2 GLU 81 12.159 -12.547 -2.644 652 HG3 GLU 81 HG3 GLU 81 12.013 -14.237 -3.122 653 H LEU 82 H LEU 82 15.680 -15.262 -4.851 654 HA LEU 82 HA LEU 82 18.288 -14.349 -4.241 655 HB2 LEU 82 HB2 LEU 82 17.606 -16.704 -4.193 656 HB3 LEU 82 HB3 LEU 82 17.346 -16.682 -5.921 657 HG LEU 82 HG LEU 82 19.472 -17.790 -4.989 658 HD11 LEU 82 HD11 LEU 82 20.781 -17.094 -6.934 659 HD12 LEU 82 HD12 LEU 82 19.653 -15.765 -7.207 660 HD13 LEU 82 HD13 LEU 82 19.098 -17.435 -7.347 661 HD21 LEU 82 HD21 LEU 82 21.379 -16.315 -4.675 662 HD22 LEU 82 HD22 LEU 82 20.120 -15.970 -3.490 663 HD23 LEU 82 HD23 LEU 82 20.339 -14.906 -4.880 664 H GLU 83 H GLU 83 16.454 -14.623 -7.275 665 HA GLU 83 HA GLU 83 18.423 -13.973 -9.117 666 HB2 GLU 83 HB2 GLU 83 15.619 -12.871 -9.195 667 HB3 GLU 83 HB3 GLU 83 16.693 -13.132 -10.555 668 HG2 GLU 83 HG2 GLU 83 16.473 -15.507 -10.344 669 HG3 GLU 83 HG3 GLU 83 15.534 -15.324 -8.858 670 H LEU 84 H LEU 84 16.180 -11.762 -7.507 671 HA LEU 84 HA LEU 84 17.341 -9.469 -8.729 672 HB2 LEU 84 HB2 LEU 84 14.944 -9.690 -8.096 673 HB3 LEU 84 HB3 LEU 84 15.418 -9.594 -6.410 674 HG LEU 84 HG LEU 84 16.536 -7.360 -7.782 675 HD11 LEU 84 HD11 LEU 84 14.760 -7.780 -9.446 676 HD12 LEU 84 HD12 LEU 84 14.555 -6.253 -8.592 677 HD13 LEU 84 HD13 LEU 84 13.557 -7.640 -8.165 678 HD21 LEU 84 HD21 LEU 84 14.287 -7.546 -5.788 679 HD22 LEU 84 HD22 LEU 84 15.270 -6.122 -6.138 680 HD23 LEU 84 HD23 LEU 84 16.006 -7.542 -5.396 681 H GLN 85 H GLN 85 17.685 -11.054 -5.613 682 HA GLN 85 HA GLN 85 18.964 -9.026 -4.198 683 HB2 GLN 85 HB2 GLN 85 18.207 -11.162 -3.205 684 HB3 GLN 85 HB3 GLN 85 19.506 -11.999 -4.037 685 HG2 GLN 85 HG2 GLN 85 20.523 -9.793 -2.482 686 HG3 GLN 85 HG3 GLN 85 19.567 -10.889 -1.490 687 HE21 GLN 85 HE21 GLN 85 21.350 -11.956 -4.301 688 HE22 GLN 85 HE22 GLN 85 22.550 -12.850 -3.437 689 H ARG 86 H ARG 86 20.375 -11.556 -6.267 690 HA ARG 86 HA ARG 86 23.061 -10.681 -5.955 691 HB2 ARG 86 HB2 ARG 86 21.874 -12.203 -8.281 692 HB3 ARG 86 HB3 ARG 86 23.574 -12.111 -7.851 693 HG2 ARG 86 HG2 ARG 86 23.075 -13.291 -5.746 694 HG3 ARG 86 HG3 ARG 86 21.395 -13.445 -6.265 695 HD2 ARG 86 HD2 ARG 86 23.815 -14.575 -7.665 696 HD3 ARG 86 HD3 ARG 86 22.620 -15.486 -6.744 697 HE ARG 86 HE ARG 86 21.239 -14.131 -8.734 698 HH11 ARG 86 HH11 ARG 86 23.734 -16.575 -8.523 699 HH12 ARG 86 HH12 ARG 86 23.284 -17.350 -10.004 700 HH21 ARG 86 HH21 ARG 86 20.641 -15.149 -10.694 701 HH22 ARG 86 HH22 ARG 86 21.524 -16.533 -11.248 702 H LEU 87 H LEU 87 20.596 -10.146 -8.416 703 HA LEU 87 HA LEU 87 22.216 -8.793 -10.265 704 HB2 LEU 87 HB2 LEU 87 19.717 -9.790 -10.293 705 HB3 LEU 87 HB3 LEU 87 19.351 -8.086 -10.118 706 HG LEU 87 HG LEU 87 20.720 -7.643 -12.161 707 HD11 LEU 87 HD11 LEU 87 21.218 -9.563 -13.621 708 HD12 LEU 87 HD12 LEU 87 20.728 -10.654 -12.323 709 HD13 LEU 87 HD13 LEU 87 22.135 -9.610 -12.115 710 HD21 LEU 87 HD21 LEU 87 18.440 -9.579 -12.511 711 HD22 LEU 87 HD22 LEU 87 19.031 -8.431 -13.712 712 HD23 LEU 87 HD23 LEU 87 18.280 -7.849 -12.229 713 H PHE 88 H PHE 88 20.197 -7.627 -7.615 714 HA PHE 88 HA PHE 88 20.354 -4.890 -8.124 715 HB2 PHE 88 HB2 PHE 88 18.794 -5.334 -6.516 716 HB3 PHE 88 HB3 PHE 88 19.758 -6.599 -5.776 717 HD1 PHE 88 HD1 PHE 88 19.605 -2.889 -6.136 718 HD2 PHE 88 HD2 PHE 88 20.797 -6.222 -3.774 719 HE1 PHE 88 HE1 PHE 88 20.206 -1.371 -4.295 720 HE2 PHE 88 HE2 PHE 88 21.398 -4.714 -1.936 721 HZ PHE 88 HZ PHE 88 21.111 -2.286 -2.193 722 H GLU 89 H GLU 89 22.515 -6.969 -6.219 723 HA GLU 89 HA GLU 89 24.262 -4.875 -5.420 724 HB2 GLU 89 HB2 GLU 89 24.990 -7.767 -5.800 725 HB3 GLU 89 HB3 GLU 89 25.753 -6.611 -4.728 726 HG2 GLU 89 HG2 GLU 89 23.790 -6.552 -3.329 727 HG3 GLU 89 HG3 GLU 89 22.930 -7.601 -4.454 728 H GLU 90 H GLU 90 23.975 -6.836 -8.269 729 HA GLU 90 HA GLU 90 26.636 -6.524 -9.198 730 HB2 GLU 90 HB2 GLU 90 24.080 -7.479 -10.426 731 HB3 GLU 90 HB3 GLU 90 25.547 -7.325 -11.383 732 HG2 GLU 90 HG2 GLU 90 25.272 -8.993 -8.895 733 HG3 GLU 90 HG3 GLU 90 25.172 -9.603 -10.545 734 H PHE 91 H PHE 91 23.658 -4.725 -9.741 735 HA PHE 91 HA PHE 91 25.163 -2.939 -11.540 736 HB2 PHE 91 HB2 PHE 91 22.178 -3.406 -11.360 737 HB3 PHE 91 HB3 PHE 91 22.954 -2.240 -12.425 738 HD1 PHE 91 HD1 PHE 91 24.759 -3.218 -14.038 739 HD2 PHE 91 HD2 PHE 91 21.722 -5.522 -12.140 740 HE1 PHE 91 HE1 PHE 91 25.002 -4.956 -15.761 741 HE2 PHE 91 HE2 PHE 91 21.970 -7.264 -13.857 742 HZ PHE 91 HZ PHE 91 23.612 -6.985 -15.674 743 H ARG 92 H ARG 92 24.775 -3.037 -8.490 744 HA ARG 92 HA ARG 92 23.165 -0.818 -7.791 745 HB2 ARG 92 HB2 ARG 92 23.742 -2.652 -6.235 746 HB3 ARG 92 HB3 ARG 92 25.406 -2.083 -6.211 747 HG2 ARG 92 HG2 ARG 92 24.794 -0.071 -5.122 748 HG3 ARG 92 HG3 ARG 92 23.075 -0.379 -5.380 749 HD2 ARG 92 HD2 ARG 92 23.176 -2.292 -3.890 750 HD3 ARG 92 HD3 ARG 92 24.912 -2.056 -3.665 751 HE ARG 92 HE ARG 92 23.359 0.271 -3.001 752 HH11 ARG 92 HH11 ARG 92 24.505 -2.801 -1.765 753 HH12 ARG 92 HH12 ARG 92 24.430 -2.303 -0.105 754 HH21 ARG 92 HH21 ARG 92 23.245 0.924 -0.828 755 HH22 ARG 92 HH22 ARG 92 23.711 -0.177 0.431 756 H ASP 93 H ASP 93 26.537 -1.131 -8.667 757 HA ASP 93 HA ASP 93 27.059 1.638 -7.917 758 HB2 ASP 93 HB2 ASP 93 28.727 -0.167 -7.415 759 HB3 ASP 93 HB3 ASP 93 28.970 -0.359 -9.148 760 H SER 94 H SER 94 25.251 0.815 -10.153 761 HA SER 94 HA SER 94 26.654 2.080 -12.405 762 HB2 SER 94 HB2 SER 94 25.472 -0.152 -12.723 763 HB3 SER 94 HB3 SER 94 23.955 0.707 -12.458 764 HG SER 94 HG SER 94 25.744 0.848 -14.611 765 H ASP 95 H ASP 95 24.691 3.315 -13.785 766 HA ASP 95 HA ASP 95 24.085 5.527 -12.016 767 HB2 ASP 95 HB2 ASP 95 23.519 6.784 -13.964 768 HB3 ASP 95 HB3 ASP 95 24.961 5.857 -14.349 769 H ASP 96 H ASP 96 22.476 2.837 -13.365 770 HA ASP 96 HA ASP 96 20.178 3.422 -11.712 771 HB2 ASP 96 HB2 ASP 96 19.436 4.429 -13.787 772 HB3 ASP 96 HB3 ASP 96 19.895 2.991 -14.693 773 H VAL 97 H VAL 97 20.147 1.670 -10.516 774 HA VAL 97 HA VAL 97 21.255 -0.795 -11.444 775 HB VAL 97 HB VAL 97 21.692 -0.302 -9.175 776 HG11 VAL 97 HG11 VAL 97 19.869 -0.113 -7.472 777 HG12 VAL 97 HG12 VAL 97 18.725 0.024 -8.805 778 HG13 VAL 97 HG13 VAL 97 19.983 1.241 -8.593 779 HG21 VAL 97 HG21 VAL 97 19.597 -2.462 -9.281 780 HG22 VAL 97 HG22 VAL 97 20.753 -2.229 -7.969 781 HG23 VAL 97 HG23 VAL 97 21.322 -2.654 -9.583 782 H LEU 98 H LEU 98 17.963 0.373 -10.822 783 HA LEU 98 HA LEU 98 16.860 -2.271 -11.022 784 HB2 LEU 98 HB2 LEU 98 15.785 0.430 -10.502 785 HB3 LEU 98 HB3 LEU 98 14.677 -0.733 -11.208 786 HG LEU 98 HG LEU 98 15.226 -2.292 -9.339 787 HD11 LEU 98 HD11 LEU 98 16.631 0.114 -8.205 788 HD12 LEU 98 HD12 LEU 98 17.362 -1.430 -8.653 789 HD13 LEU 98 HD13 LEU 98 16.227 -1.349 -7.305 790 HD21 LEU 98 HD21 LEU 98 13.211 -0.905 -9.342 791 HD22 LEU 98 HD22 LEU 98 14.096 0.368 -8.502 792 HD23 LEU 98 HD23 LEU 98 13.823 -1.187 -7.714 793 H GLY 99 H GLY 99 17.239 0.455 -13.207 794 HA2 GLY 99 HA2 GLY 99 15.600 -0.510 -15.292 795 HA3 GLY 99 HA3 GLY 99 16.988 0.561 -15.492 796 H HIS 100 H HIS 100 18.828 -1.335 -14.265 797 HA HIS 100 HA HIS 100 19.371 -2.886 -16.648 798 HB2 HIS 100 HB2 HIS 100 20.918 -2.337 -14.125 799 HB3 HIS 100 HB3 HIS 100 21.421 -3.609 -15.234 800 HD1 HIS 100 HD1 HIS 100 23.060 -2.871 -16.927 801 HD2 HIS 100 HD2 HIS 100 20.657 0.268 -15.633 802 HE1 HIS 100 HE1 HIS 100 23.931 -0.828 -18.097 803 HE2 HIS 100 HE2 HIS 100 22.331 1.012 -17.456 804 H ILE 101 H ILE 101 18.292 -3.342 -13.367 805 HA ILE 101 HA ILE 101 18.406 -6.128 -13.212 806 HB ILE 101 HB ILE 101 16.459 -4.170 -11.994 807 HG12 ILE 101 HG12 ILE 101 18.745 -5.780 -10.830 808 HG13 ILE 101 HG13 ILE 101 18.770 -4.054 -11.176 809 HG21 ILE 101 HG21 ILE 101 15.672 -5.974 -10.547 810 HG22 ILE 101 HG22 ILE 101 16.656 -7.127 -11.444 811 HG23 ILE 101 HG23 ILE 101 15.318 -6.305 -12.244 812 HD11 ILE 101 HD11 ILE 101 17.011 -3.708 -9.506 813 HD12 ILE 101 HD12 ILE 101 18.452 -4.450 -8.812 814 HD13 ILE 101 HD13 ILE 101 17.027 -5.433 -9.148 815 H MET 102 H MET 102 15.713 -4.042 -14.272 816 HA MET 102 HA MET 102 13.924 -6.045 -14.945 817 HB2 MET 102 HB2 MET 102 14.297 -3.287 -16.093 818 HB3 MET 102 HB3 MET 102 12.960 -4.339 -16.542 819 HG2 MET 102 HG2 MET 102 12.270 -4.426 -14.192 820 HG3 MET 102 HG3 MET 102 13.570 -3.310 -13.785 821 HE1 MET 102 HE1 MET 102 10.189 -3.284 -13.586 822 HE2 MET 102 HE2 MET 102 9.918 -1.544 -13.692 823 HE3 MET 102 HE3 MET 102 11.201 -2.174 -12.660 824 H LYS 103 H LYS 103 16.413 -4.548 -16.969 825 HA LYS 103 HA LYS 103 15.608 -5.942 -19.318 826 HB2 LYS 103 HB2 LYS 103 17.864 -4.161 -18.581 827 HB3 LYS 103 HB3 LYS 103 18.088 -5.209 -19.975 828 HG2 LYS 103 HG2 LYS 103 17.273 -3.048 -20.679 829 HG3 LYS 103 HG3 LYS 103 16.055 -4.284 -20.988 830 HD2 LYS 103 HD2 LYS 103 14.949 -3.614 -18.846 831 HD3 LYS 103 HD3 LYS 103 16.095 -2.277 -18.740 832 HE2 LYS 103 HE2 LYS 103 14.069 -2.759 -20.918 833 HE3 LYS 103 HE3 LYS 103 14.028 -1.486 -19.700 834 HZ1 LYS 103 HZ1 LYS 103 16.062 -1.788 -21.840 835 HZ2 LYS 103 HZ2 LYS 103 16.068 -0.583 -20.657 836 HZ3 LYS 103 HZ3 LYS 103 14.825 -0.639 -21.799 837 H ASN 104 H ASN 104 17.626 -6.785 -16.647 838 HA ASN 104 HA ASN 104 18.729 -9.033 -18.205 839 HB2 ASN 104 HB2 ASN 104 20.317 -7.317 -17.193 840 HB3 ASN 104 HB3 ASN 104 19.854 -7.960 -15.623 841 HD21 ASN 104 HD21 ASN 104 21.946 -8.656 -15.192 842 HD22 ASN 104 HD22 ASN 104 22.643 -10.031 -15.974 843 H ILE 105 H ILE 105 16.120 -8.741 -16.600 844 HA ILE 105 HA ILE 105 16.563 -11.085 -14.873 845 HB ILE 105 HB ILE 105 15.961 -8.995 -13.649 846 HG12 ILE 105 HG12 ILE 105 14.221 -10.034 -12.224 847 HG13 ILE 105 HG13 ILE 105 13.990 -11.270 -13.457 848 HG21 ILE 105 HG21 ILE 105 14.439 -8.040 -15.298 849 HG22 ILE 105 HG22 ILE 105 13.658 -8.187 -13.723 850 HG23 ILE 105 HG23 ILE 105 13.296 -9.348 -15.000 851 HD11 ILE 105 HD11 ILE 105 16.246 -12.065 -13.126 852 HD12 ILE 105 HD12 ILE 105 15.383 -12.027 -11.590 853 HD13 ILE 105 HD13 ILE 105 16.558 -10.768 -11.973 854 H THR 106 H THR 106 14.657 -12.447 -14.569 855 HA THR 106 HA THR 106 13.607 -13.141 -17.145 856 HB THR 106 HB THR 106 14.539 -14.766 -15.498 857 HG1 THR 106 HG1 THR 106 12.018 -15.792 -15.802 858 HG21 THR 106 HG21 THR 106 13.573 -13.912 -13.449 859 HG22 THR 106 HG22 THR 106 13.060 -15.581 -13.702 860 HG23 THR 106 HG23 THR 106 11.947 -14.254 -14.042 861 H ALA 107 H ALA 107 12.326 -11.834 -14.118 862 HA ALA 107 HA ALA 107 9.659 -11.733 -15.359 863 HB1 ALA 107 HB1 ALA 107 8.763 -11.470 -13.088 864 HB2 ALA 107 HB2 ALA 107 10.396 -11.577 -12.434 865 HB3 ALA 107 HB3 ALA 107 9.682 -12.969 -13.255 866 H LYS 108 H LYS 108 8.897 -9.793 -15.930 867 HA LYS 108 HA LYS 108 10.358 -7.421 -15.151 868 HB2 LYS 108 HB2 LYS 108 8.172 -8.010 -17.092 869 HB3 LYS 108 HB3 LYS 108 8.308 -6.365 -16.484 870 HG2 LYS 108 HG2 LYS 108 9.500 -6.607 -18.577 871 HG3 LYS 108 HG3 LYS 108 10.625 -6.267 -17.262 872 HD2 LYS 108 HD2 LYS 108 11.054 -8.737 -17.121 873 HD3 LYS 108 HD3 LYS 108 10.100 -8.919 -18.594 874 HE2 LYS 108 HE2 LYS 108 12.584 -7.232 -18.320 875 HE3 LYS 108 HE3 LYS 108 12.519 -8.838 -19.041 876 HZ1 LYS 108 HZ1 LYS 108 12.468 -7.165 -20.745 877 HZ2 LYS 108 HZ2 LYS 108 11.134 -6.410 -20.035 878 HZ3 LYS 108 HZ3 LYS 108 10.972 -7.954 -20.702 879 H ARG 109 H ARG 109 10.070 -6.872 -13.132 880 HA ARG 109 HA ARG 109 7.330 -6.657 -12.104 881 HB2 ARG 109 HB2 ARG 109 8.542 -6.866 -9.811 882 HB3 ARG 109 HB3 ARG 109 8.216 -8.312 -10.754 883 HG2 ARG 109 HG2 ARG 109 10.543 -8.215 -11.615 884 HG3 ARG 109 HG3 ARG 109 10.843 -6.855 -10.531 885 HD2 ARG 109 HD2 ARG 109 10.476 -8.195 -8.609 886 HD3 ARG 109 HD3 ARG 109 9.829 -9.522 -9.564 887 HE ARG 109 HE ARG 109 12.660 -8.721 -9.407 888 HH11 ARG 109 HH11 ARG 109 10.229 -11.022 -10.401 889 HH12 ARG 109 HH12 ARG 109 11.354 -12.328 -10.593 890 HH21 ARG 109 HH21 ARG 109 14.153 -10.472 -9.656 891 HH22 ARG 109 HH22 ARG 109 13.570 -12.033 -10.168 892 H SER 110 H SER 110 6.825 -4.878 -10.863 893 HA SER 110 HA SER 110 7.882 -2.507 -11.964 894 HB2 SER 110 HB2 SER 110 5.520 -2.757 -11.293 895 HB3 SER 110 HB3 SER 110 6.011 -2.841 -9.604 896 HG SER 110 HG SER 110 6.462 -0.634 -11.340 897 H ARG 111 H ARG 111 8.937 -0.760 -10.966 898 HA ARG 111 HA ARG 111 11.106 -1.580 -9.345 899 HB2 ARG 111 HB2 ARG 111 10.198 1.188 -10.123 900 HB3 ARG 111 HB3 ARG 111 11.730 0.818 -9.339 901 HG2 ARG 111 HG2 ARG 111 12.321 -0.610 -11.265 902 HG3 ARG 111 HG3 ARG 111 10.823 -0.109 -12.052 903 HD2 ARG 111 HD2 ARG 111 11.564 2.211 -11.991 904 HD3 ARG 111 HD3 ARG 111 13.056 1.716 -11.190 905 HE ARG 111 HE ARG 111 12.804 0.258 -13.566 906 HH11 ARG 111 HH11 ARG 111 13.351 3.545 -12.511 907 HH12 ARG 111 HH12 ARG 111 14.246 3.988 -13.929 908 HH21 ARG 111 HH21 ARG 111 13.981 0.849 -15.448 909 HH22 ARG 111 HH22 ARG 111 14.613 2.458 -15.580 910 H ALA 112 H ALA 112 8.162 0.253 -8.672 911 HA ALA 112 HA ALA 112 8.759 0.938 -6.020 912 HB1 ALA 112 HB1 ALA 112 6.369 1.236 -5.709 913 HB2 ALA 112 HB2 ALA 112 6.039 0.299 -7.166 914 HB3 ALA 112 HB3 ALA 112 6.848 1.860 -7.288 915 H ARG 113 H ARG 113 7.683 -2.011 -7.494 916 HA ARG 113 HA ARG 113 7.100 -3.391 -5.040 917 HB2 ARG 113 HB2 ARG 113 7.573 -4.362 -7.859 918 HB3 ARG 113 HB3 ARG 113 7.159 -5.422 -6.522 919 HG2 ARG 113 HG2 ARG 113 5.017 -4.386 -6.280 920 HG3 ARG 113 HG3 ARG 113 5.433 -3.146 -7.469 921 HD2 ARG 113 HD2 ARG 113 5.302 -4.608 -9.233 922 HD3 ARG 113 HD3 ARG 113 5.643 -6.008 -8.235 923 HE ARG 113 HE ARG 113 3.303 -5.624 -7.339 924 HH11 ARG 113 HH11 ARG 113 4.208 -4.701 -10.604 925 HH12 ARG 113 HH12 ARG 113 2.620 -4.948 -11.244 926 HH21 ARG 113 HH21 ARG 113 1.214 -5.969 -8.207 927 HH22 ARG 113 HH22 ARG 113 0.925 -5.659 -9.891 928 H ILE 114 H ILE 114 9.777 -3.204 -7.319 929 HA ILE 114 HA ILE 114 11.403 -5.198 -6.237 930 HB ILE 114 HB ILE 114 12.147 -2.691 -7.747 931 HG12 ILE 114 HG12 ILE 114 12.005 -5.572 -8.658 932 HG13 ILE 114 HG13 ILE 114 10.745 -4.373 -8.938 933 HG21 ILE 114 HG21 ILE 114 14.068 -3.411 -6.443 934 HG22 ILE 114 HG22 ILE 114 14.327 -3.759 -8.154 935 HG23 ILE 114 HG23 ILE 114 13.881 -5.057 -7.050 936 HD11 ILE 114 HD11 ILE 114 12.140 -4.675 -10.910 937 HD12 ILE 114 HD12 ILE 114 13.569 -4.235 -9.977 938 HD13 ILE 114 HD13 ILE 114 12.307 -3.039 -10.267 939 H VAL 115 H VAL 115 11.526 -1.667 -5.743 940 HA VAL 115 HA VAL 115 13.640 -1.733 -3.888 941 HB VAL 115 HB VAL 115 13.091 0.558 -3.340 942 HG11 VAL 115 HG11 VAL 115 13.163 1.549 -5.571 943 HG12 VAL 115 HG12 VAL 115 12.659 0.011 -6.271 944 HG13 VAL 115 HG13 VAL 115 14.219 0.142 -5.460 945 HG21 VAL 115 HG21 VAL 115 10.553 0.183 -4.920 946 HG22 VAL 115 HG22 VAL 115 11.115 1.681 -4.174 947 HG23 VAL 115 HG23 VAL 115 10.652 0.310 -3.164 948 H ASP 116 H ASP 116 10.156 -1.958 -3.503 949 HA ASP 116 HA ASP 116 10.095 -1.762 -0.686 950 HB2 ASP 116 HB2 ASP 116 8.087 -1.496 -2.042 951 HB3 ASP 116 HB3 ASP 116 8.221 -3.161 -2.596 952 H LYS 117 H LYS 117 10.602 -4.429 -2.911 953 HA LYS 117 HA LYS 117 10.557 -6.486 -0.954 954 HB2 LYS 117 HB2 LYS 117 10.238 -7.081 -3.261 955 HB3 LYS 117 HB3 LYS 117 11.777 -6.364 -3.712 956 HG2 LYS 117 HG2 LYS 117 12.324 -8.576 -3.693 957 HG3 LYS 117 HG3 LYS 117 12.755 -8.116 -2.050 958 HD2 LYS 117 HD2 LYS 117 10.195 -9.486 -2.903 959 HD3 LYS 117 HD3 LYS 117 11.575 -10.245 -2.110 960 HE2 LYS 117 HE2 LYS 117 10.329 -9.920 -0.266 961 HE3 LYS 117 HE3 LYS 117 11.089 -8.332 -0.322 962 HZ1 LYS 117 HZ1 LYS 117 8.395 -9.033 -1.358 963 HZ2 LYS 117 HZ2 LYS 117 9.119 -7.511 -1.506 964 HZ3 LYS 117 HZ3 LYS 117 8.730 -8.115 0.021 965 H LEU 118 H LEU 118 13.118 -4.500 -2.365 966 HA LEU 118 HA LEU 118 15.364 -5.627 -1.176 967 HB2 LEU 118 HB2 LEU 118 14.605 -2.975 -2.181 968 HB3 LEU 118 HB3 LEU 118 15.874 -2.954 -0.973 969 HG LEU 118 HG LEU 118 17.171 -4.543 -2.395 970 HD11 LEU 118 HD11 LEU 118 14.996 -3.949 -4.396 971 HD12 LEU 118 HD12 LEU 118 15.326 -5.512 -3.648 972 HD13 LEU 118 HD13 LEU 118 16.510 -4.789 -4.739 973 HD21 LEU 118 HD21 LEU 118 17.867 -2.848 -3.980 974 HD22 LEU 118 HD22 LEU 118 17.568 -2.133 -2.392 975 HD23 LEU 118 HD23 LEU 118 16.381 -1.945 -3.687 976 H LEU 119 H LEU 119 13.138 -3.208 0.085 977 HA LEU 119 HA LEU 119 14.415 -2.771 2.551 978 HB2 LEU 119 HB2 LEU 119 11.686 -2.278 1.440 979 HB3 LEU 119 HB3 LEU 119 11.934 -2.103 3.167 980 HG LEU 119 HG LEU 119 12.101 0.044 1.901 981 HD11 LEU 119 HD11 LEU 119 13.117 -0.215 4.089 982 HD12 LEU 119 HD12 LEU 119 14.107 0.819 3.059 983 HD13 LEU 119 HD13 LEU 119 14.585 -0.854 3.348 984 HD21 LEU 119 HD21 LEU 119 14.612 -1.210 0.781 985 HD22 LEU 119 HD22 LEU 119 14.196 0.500 0.663 986 HD23 LEU 119 HD23 LEU 119 13.187 -0.711 -0.130 987 H ALA 120 H ALA 120 12.263 -5.262 1.437 988 HA ALA 120 HA ALA 120 11.575 -6.132 4.114 989 HB1 ALA 120 HB1 ALA 120 10.987 -7.483 1.489 990 HB2 ALA 120 HB2 ALA 120 9.994 -6.205 2.190 991 HB3 ALA 120 HB3 ALA 120 10.179 -7.745 3.036 992 H LEU 121 H LEU 121 13.727 -7.044 1.504 993 HA LEU 121 HA LEU 121 14.650 -9.469 2.711 994 HB2 LEU 121 HB2 LEU 121 15.898 -7.699 0.613 995 HB3 LEU 121 HB3 LEU 121 16.490 -9.285 1.056 996 HG LEU 121 HG LEU 121 13.784 -8.736 -0.167 997 HD11 LEU 121 HD11 LEU 121 16.308 -9.844 -1.387 998 HD12 LEU 121 HD12 LEU 121 15.610 -8.258 -1.713 999 HD13 LEU 121 HD13 LEU 121 14.740 -9.719 -2.188 1000 HD21 LEU 121 HD21 LEU 121 13.712 -11.168 -0.475 1001 HD22 LEU 121 HD22 LEU 121 13.804 -10.732 1.232 1002 HD23 LEU 121 HD23 LEU 121 15.239 -11.320 0.393 1003 H GLY 122 H GLY 122 15.341 -6.126 3.059 1004 HA2 GLY 122 HA2 GLY 122 16.661 -5.069 4.636 1005 HA3 GLY 122 HA3 GLY 122 17.279 -6.642 5.137 1006 H LEU 123 H LEU 123 17.241 -5.458 1.833 1007 HA LEU 123 HA LEU 123 20.094 -5.851 1.618 1008 HB2 LEU 123 HB2 LEU 123 18.022 -4.873 -0.346 1009 HB3 LEU 123 HB3 LEU 123 19.714 -5.106 -0.744 1010 HG LEU 123 HG LEU 123 17.790 -7.269 0.122 1011 HD11 LEU 123 HD11 LEU 123 17.298 -6.530 -2.115 1012 HD12 LEU 123 HD12 LEU 123 18.111 -8.094 -2.189 1013 HD13 LEU 123 HD13 LEU 123 19.002 -6.616 -2.559 1014 HD21 LEU 123 HD21 LEU 123 20.052 -7.733 0.881 1015 HD22 LEU 123 HD22 LEU 123 20.671 -7.438 -0.743 1016 HD23 LEU 123 HD23 LEU 123 19.607 -8.812 -0.441 1017 H VAL 124 H VAL 124 17.835 -3.316 2.033 1018 HA VAL 124 HA VAL 124 19.967 -1.390 2.518 1019 HB VAL 124 HB VAL 124 18.720 0.379 1.276 1020 HG11 VAL 124 HG11 VAL 124 19.659 -1.920 -0.437 1021 HG12 VAL 124 HG12 VAL 124 20.693 -0.690 0.287 1022 HG13 VAL 124 HG13 VAL 124 19.514 -0.239 -0.945 1023 HG21 VAL 124 HG21 VAL 124 17.173 -1.977 0.221 1024 HG22 VAL 124 HG22 VAL 124 17.094 -0.344 -0.437 1025 HG23 VAL 124 HG23 VAL 124 16.545 -0.659 1.208 1026 H ALA 125 H ALA 125 18.888 0.682 3.418 1027 HA ALA 125 HA ALA 125 16.697 -0.156 5.215 1028 HB1 ALA 125 HB1 ALA 125 18.747 0.439 6.376 1029 HB2 ALA 125 HB2 ALA 125 17.473 1.601 6.736 1030 HB3 ALA 125 HB3 ALA 125 18.752 2.017 5.593 1031 H GLU 126 H GLU 126 17.371 1.646 2.527 1032 HA GLU 126 HA GLU 126 14.827 2.960 2.553 1033 HB2 GLU 126 HB2 GLU 126 15.660 5.234 2.377 1034 HB3 GLU 126 HB3 GLU 126 16.183 4.526 3.898 1035 HG2 GLU 126 HG2 GLU 126 18.385 4.102 2.964 1036 HG3 GLU 126 HG3 GLU 126 17.870 4.760 1.418 1037 H ARG 127 H ARG 127 14.658 4.385 0.482 1038 HA ARG 127 HA ARG 127 15.606 2.786 -1.703 1039 HB2 ARG 127 HB2 ARG 127 13.908 5.253 -1.534 1040 HB3 ARG 127 HB3 ARG 127 14.517 4.694 -3.082 1041 HG2 ARG 127 HG2 ARG 127 12.360 3.808 -2.901 1042 HG3 ARG 127 HG3 ARG 127 13.444 2.465 -2.552 1043 HD2 ARG 127 HD2 ARG 127 13.046 2.705 -0.189 1044 HD3 ARG 127 HD3 ARG 127 12.087 4.159 -0.463 1045 HE ARG 127 HE ARG 127 10.816 2.248 -1.923 1046 HH11 ARG 127 HH11 ARG 127 11.762 2.541 1.428 1047 HH12 ARG 127 HH12 ARG 127 10.450 1.572 2.019 1048 HH21 ARG 127 HH21 ARG 127 9.083 0.971 -1.152 1049 HH22 ARG 127 HH22 ARG 127 8.944 0.659 0.552 1050 H ARG 128 H ARG 128 16.726 5.607 -0.096 1051 HA ARG 128 HA ARG 128 18.150 6.872 -2.132 1052 HB2 ARG 128 HB2 ARG 128 18.040 8.193 -0.290 1053 HB3 ARG 128 HB3 ARG 128 18.228 6.850 0.824 1054 HG2 ARG 128 HG2 ARG 128 20.608 6.808 0.442 1055 HG3 ARG 128 HG3 ARG 128 20.460 8.073 -0.785 1056 HD2 ARG 128 HD2 ARG 128 19.653 9.626 0.895 1057 HD3 ARG 128 HD3 ARG 128 19.715 8.361 2.120 1058 HE ARG 128 HE ARG 128 21.990 9.750 0.918 1059 HH11 ARG 128 HH11 ARG 128 20.776 7.302 3.117 1060 HH12 ARG 128 HH12 ARG 128 22.232 7.264 4.073 1061 HH21 ARG 128 HH21 ARG 128 23.904 9.711 2.178 1062 HH22 ARG 128 HH22 ARG 128 24.010 8.639 3.540 1063 H GLU 129 H GLU 129 19.029 4.043 -0.230 1064 HA GLU 129 HA GLU 129 21.810 4.176 -0.851 1065 HB2 GLU 129 HB2 GLU 129 20.176 1.815 0.075 1066 HB3 GLU 129 HB3 GLU 129 21.931 1.901 0.057 1067 HG2 GLU 129 HG2 GLU 129 21.748 3.855 1.616 1068 HG3 GLU 129 HG3 GLU 129 20.029 3.484 1.748 1069 H LEU 130 H LEU 130 19.169 3.360 -2.734 1070 HA LEU 130 HA LEU 130 20.828 1.712 -4.511 1071 HB2 LEU 130 HB2 LEU 130 18.408 1.294 -5.541 1072 HB3 LEU 130 HB3 LEU 130 19.075 0.314 -4.254 1073 HG LEU 130 HG LEU 130 17.408 2.693 -3.548 1074 HD11 LEU 130 HD11 LEU 130 16.093 1.556 -5.218 1075 HD12 LEU 130 HD12 LEU 130 15.418 1.265 -3.615 1076 HD13 LEU 130 HD13 LEU 130 16.365 0.010 -4.415 1077 HD21 LEU 130 HD21 LEU 130 17.932 -0.005 -2.301 1078 HD22 LEU 130 HD22 LEU 130 16.754 1.154 -1.685 1079 HD23 LEU 130 HD23 LEU 130 18.469 1.574 -1.715 1080 H TYR 131 H TYR 131 20.085 4.779 -4.114 1081 HA TYR 131 HA TYR 131 20.171 5.294 -7.015 1082 HB2 TYR 131 HB2 TYR 131 18.873 6.971 -4.856 1083 HB3 TYR 131 HB3 TYR 131 19.188 7.555 -6.485 1084 HD1 TYR 131 HD1 TYR 131 16.889 5.855 -4.377 1085 HD2 TYR 131 HD2 TYR 131 18.119 6.247 -8.423 1086 HE1 TYR 131 HE1 TYR 131 14.735 4.941 -5.110 1087 HE2 TYR 131 HE2 TYR 131 15.967 5.330 -9.172 1088 HH TYR 131 HH TYR 131 14.141 4.029 -8.380 1089 H LYS 132 H LYS 132 21.960 6.321 -7.670 1090 HA LYS 132 HA LYS 132 24.173 6.420 -6.051 1091 HB2 LYS 132 HB2 LYS 132 23.568 7.652 -8.701 1092 HB3 LYS 132 HB3 LYS 132 25.074 8.047 -7.887 1093 HG2 LYS 132 HG2 LYS 132 24.159 5.270 -8.603 1094 HG3 LYS 132 HG3 LYS 132 25.339 6.227 -9.498 1095 HD2 LYS 132 HD2 LYS 132 26.777 6.287 -7.495 1096 HD3 LYS 132 HD3 LYS 132 25.610 5.276 -6.645 1097 HE2 LYS 132 HE2 LYS 132 27.396 3.893 -7.445 1098 HE3 LYS 132 HE3 LYS 132 25.933 3.532 -8.358 1099 HZ1 LYS 132 HZ1 LYS 132 26.748 4.891 -10.162 1100 HZ2 LYS 132 HZ2 LYS 132 27.880 3.691 -9.785 1101 HZ3 LYS 132 HZ3 LYS 132 28.138 5.285 -9.285 1102 H LYS 133 H LYS 133 24.297 7.478 -4.274 1103 HA LYS 133 HA LYS 133 24.152 10.415 -4.398 1104 HB2 LYS 133 HB2 LYS 133 23.663 8.606 -2.017 1105 HB3 LYS 133 HB3 LYS 133 23.712 10.360 -1.955 1106 HG2 LYS 133 HG2 LYS 133 21.717 8.760 -3.537 1107 HG3 LYS 133 HG3 LYS 133 21.434 9.420 -1.927 1108 HD2 LYS 133 HD2 LYS 133 21.935 11.689 -2.870 1109 HD3 LYS 133 HD3 LYS 133 21.951 10.947 -4.472 1110 HE2 LYS 133 HE2 LYS 133 19.637 10.974 -2.538 1111 HE3 LYS 133 HE3 LYS 133 19.779 11.938 -4.006 1112 HZ1 LYS 133 HZ1 LYS 133 19.764 9.924 -5.309 1113 HZ2 LYS 133 HZ2 LYS 133 18.388 9.983 -4.329 1114 HZ3 LYS 133 HZ3 LYS 133 19.680 8.974 -3.912 1115 H ARG 134 H ARG 134 25.733 11.412 -2.824 1116 HA ARG 134 HA ARG 134 28.206 9.879 -2.879 1117 HB2 ARG 134 HB2 ARG 134 27.736 12.736 -2.005 1118 HB3 ARG 134 HB3 ARG 134 29.301 11.957 -2.191 1119 HG2 ARG 134 HG2 ARG 134 27.336 12.691 -4.340 1120 HG3 ARG 134 HG3 ARG 134 28.981 13.287 -4.112 1121 HD2 ARG 134 HD2 ARG 134 29.776 10.934 -4.506 1122 HD3 ARG 134 HD3 ARG 134 28.121 10.526 -4.965 1123 HE ARG 134 HE ARG 134 29.082 12.763 -6.437 1124 HH11 ARG 134 HH11 ARG 134 29.241 9.265 -6.246 1125 HH12 ARG 134 HH12 ARG 134 29.685 9.066 -7.910 1126 HH21 ARG 134 HH21 ARG 134 29.663 12.497 -8.629 1127 HH22 ARG 134 HH22 ARG 134 29.919 10.909 -9.269 1128 H GLN 135 H GLN 135 27.554 8.320 -1.376 1129 HA GLN 135 HA GLN 135 26.925 9.205 1.317 1130 HB2 GLN 135 HB2 GLN 135 27.059 6.426 0.144 1131 HB3 GLN 135 HB3 GLN 135 26.559 6.810 1.784 1132 HG2 GLN 135 HG2 GLN 135 24.704 8.165 0.839 1133 HG3 GLN 135 HG3 GLN 135 25.176 7.613 -0.765 1134 HE21 GLN 135 HE21 GLN 135 25.321 5.593 2.086 1135 HE22 GLN 135 HE22 GLN 135 24.037 4.533 1.635 1136 H LYS 136 H LYS 136 28.054 8.558 3.133 1137 HA LYS 136 HA LYS 136 30.920 8.186 2.662 1138 HB2 LYS 136 HB2 LYS 136 29.333 9.272 4.992 1139 HB3 LYS 136 HB3 LYS 136 31.035 8.866 5.133 1140 HG2 LYS 136 HG2 LYS 136 30.756 11.242 4.771 1141 HG3 LYS 136 HG3 LYS 136 31.578 10.503 3.402 1142 HD2 LYS 136 HD2 LYS 136 29.944 12.140 2.649 1143 HD3 LYS 136 HD3 LYS 136 29.477 10.520 2.138 1144 HE2 LYS 136 HE2 LYS 136 27.525 11.679 2.916 1145 HE3 LYS 136 HE3 LYS 136 27.929 10.412 4.071 1146 HZ1 LYS 136 HZ1 LYS 136 28.481 13.311 4.359 1147 HZ2 LYS 136 HZ2 LYS 136 29.017 12.128 5.436 1148 HZ3 LYS 136 HZ3 LYS 136 27.364 12.400 5.239 1149 H LYS 137 H LYS 137 31.946 6.920 4.683 1150 HA LYS 137 HA LYS 137 30.849 4.309 4.547 1151 HB2 LYS 137 HB2 LYS 137 32.665 3.562 5.880 1152 HB3 LYS 137 HB3 LYS 137 33.291 4.788 4.801 1153 HG2 LYS 137 HG2 LYS 137 32.628 5.242 7.702 1154 HG3 LYS 137 HG3 LYS 137 34.231 4.861 7.088 1155 HD2 LYS 137 HD2 LYS 137 34.518 7.076 6.988 1156 HD3 LYS 137 HD3 LYS 137 33.512 7.006 5.542 1157 HE2 LYS 137 HE2 LYS 137 31.535 7.520 6.833 1158 HE3 LYS 137 HE3 LYS 137 32.459 7.421 8.336 1159 HZ1 LYS 137 HZ1 LYS 137 32.892 9.425 6.185 1160 HZ2 LYS 137 HZ2 LYS 137 33.765 9.322 7.626 1161 HZ3 LYS 137 HZ3 LYS 137 32.124 9.713 7.663 1162 H LEU 138 H LEU 138 28.817 4.283 5.288 1163 HA LEU 138 HA LEU 138 28.468 4.548 8.182 1164 HB2 LEU 138 HB2 LEU 138 27.777 6.624 6.880 1165 HB3 LEU 138 HB3 LEU 138 26.507 5.648 6.162 1166 HG LEU 138 HG LEU 138 26.685 5.911 9.149 1167 HD11 LEU 138 HD11 LEU 138 25.232 7.864 9.028 1168 HD12 LEU 138 HD12 LEU 138 25.348 7.852 7.269 1169 HD13 LEU 138 HD13 LEU 138 26.778 8.185 8.245 1170 HD21 LEU 138 HD21 LEU 138 24.391 5.530 7.225 1171 HD22 LEU 138 HD22 LEU 138 24.254 5.632 8.980 1172 HD23 LEU 138 HD23 LEU 138 25.115 4.283 8.240 1173 H ALA 139 H ALA 139 26.777 3.222 9.014 1174 HA ALA 139 HA ALA 139 26.375 0.777 7.593 1175 HB1 ALA 139 HB1 ALA 139 26.611 1.018 10.082 1176 HB2 ALA 139 HB2 ALA 139 25.253 0.026 9.565 1177 HB3 ALA 139 HB3 ALA 139 24.977 1.681 10.111 1178 H SER 140 H SER 140 23.657 0.219 8.406 1179 HA SER 140 HA SER 140 22.182 1.138 6.216 1180 HB2 SER 140 HB2 SER 140 21.226 0.059 8.879 1181 HB3 SER 140 HB3 SER 140 20.227 0.219 7.439 1182 HG SER 140 HG SER 140 21.468 -1.316 6.409 1183 H SER 141 H SER 141 21.533 3.138 5.820 1184 HA SER 141 HA SER 141 21.551 5.184 7.786 1185 HB2 SER 141 HB2 SER 141 20.603 5.139 4.911 1186 HB3 SER 141 HB3 SER 141 20.587 6.591 5.912 1187 HG SER 141 HG SER 141 22.829 5.042 5.117 Start of MODEL 3 1 H1 ASP 1 HT1 ASP 1 -17.894 11.001 -10.753 2 H2 ASP 1 HT2 ASP 1 -17.691 9.817 -9.564 3 H3 ASP 1 HT3 ASP 1 -17.030 11.354 -9.342 4 HA ASP 1 HA ASP 1 -19.018 11.070 -8.017 5 HB2 ASP 1 HB2 ASP 1 -18.339 13.276 -9.205 6 HB3 ASP 1 HB3 ASP 1 -19.689 12.940 -10.283 7 HA PRO 2 HA PRO 2 -21.584 8.106 -10.109 8 HB2 PRO 2 HB2 PRO 2 -23.238 7.548 -8.029 9 HB3 PRO 2 HB3 PRO 2 -21.584 6.936 -8.145 10 HG2 PRO 2 HG2 PRO 2 -22.641 9.258 -6.581 11 HG3 PRO 2 HG3 PRO 2 -21.463 8.023 -6.097 12 HD2 PRO 2 HD2 PRO 2 -20.739 10.511 -6.901 13 HD3 PRO 2 HD3 PRO 2 -19.726 9.079 -7.172 14 H SER 3 H SER 3 -23.224 10.548 -8.105 15 HA SER 3 HA SER 3 -25.087 11.076 -10.271 16 HB2 SER 3 HB2 SER 3 -26.185 9.273 -8.968 17 HB3 SER 3 HB3 SER 3 -26.029 10.243 -7.505 18 HG SER 3 HG SER 3 -27.290 11.430 -9.688 19 H ARG 4 H ARG 4 -24.541 11.687 -6.828 20 HA ARG 4 HA ARG 4 -24.019 14.498 -7.428 21 HB2 ARG 4 HB2 ARG 4 -25.854 13.485 -5.241 22 HB3 ARG 4 HB3 ARG 4 -25.223 15.122 -5.305 23 HG2 ARG 4 HG2 ARG 4 -26.341 15.363 -7.538 24 HG3 ARG 4 HG3 ARG 4 -27.118 13.807 -7.236 25 HD2 ARG 4 HD2 ARG 4 -28.130 14.694 -5.207 26 HD3 ARG 4 HD3 ARG 4 -27.325 16.237 -5.467 27 HE ARG 4 HE ARG 4 -29.357 15.138 -7.298 28 HH11 ARG 4 HH11 ARG 4 -27.870 17.833 -5.626 29 HH12 ARG 4 HH12 ARG 4 -28.993 18.999 -6.245 30 HH21 ARG 4 HH21 ARG 4 -30.844 16.672 -8.100 31 HH22 ARG 4 HH22 ARG 4 -30.697 18.337 -7.629 32 H ARG 5 H ARG 5 -23.266 15.439 -5.076 33 HA ARG 5 HA ARG 5 -20.846 14.113 -4.488 34 HB2 ARG 5 HB2 ARG 5 -21.662 16.607 -4.070 35 HB3 ARG 5 HB3 ARG 5 -22.097 15.959 -2.496 36 HG2 ARG 5 HG2 ARG 5 -19.341 15.822 -3.705 37 HG3 ARG 5 HG3 ARG 5 -19.878 17.040 -2.552 38 HD2 ARG 5 HD2 ARG 5 -20.284 15.310 -0.888 39 HD3 ARG 5 HD3 ARG 5 -19.804 14.069 -2.046 40 HE ARG 5 HE ARG 5 -17.769 16.032 -1.679 41 HH11 ARG 5 HH11 ARG 5 -19.185 13.175 -0.212 42 HH12 ARG 5 HH12 ARG 5 -17.719 12.716 0.596 43 HH21 ARG 5 HH21 ARG 5 -15.852 15.435 -0.605 44 HH22 ARG 5 HH22 ARG 5 -15.827 14.011 0.382 45 H ALA 6 H ALA 6 -20.645 12.253 -3.434 46 HA ALA 6 HA ALA 6 -22.733 10.936 -2.146 47 HB1 ALA 6 HB1 ALA 6 -21.071 9.344 -1.366 48 HB2 ALA 6 HB2 ALA 6 -19.778 10.450 -1.838 49 HB3 ALA 6 HB3 ALA 6 -20.828 9.742 -3.068 50 HA PRO 7 HA PRO 7 -22.824 12.768 1.794 51 HB2 PRO 7 HB2 PRO 7 -24.280 10.972 3.110 52 HB3 PRO 7 HB3 PRO 7 -24.934 11.821 1.705 53 HG2 PRO 7 HG2 PRO 7 -23.736 9.076 1.825 54 HG3 PRO 7 HG3 PRO 7 -25.273 9.583 1.097 55 HD2 PRO 7 HD2 PRO 7 -22.990 9.272 -0.337 56 HD3 PRO 7 HD3 PRO 7 -24.247 10.453 -0.762 57 H THR 8 H THR 8 -22.310 12.432 4.074 58 HA THR 8 HA THR 8 -19.866 10.960 4.417 59 HB THR 8 HB THR 8 -20.290 11.868 6.870 60 HG1 THR 8 HG1 THR 8 -22.332 12.693 6.666 61 HG21 THR 8 HG21 THR 8 -19.587 13.638 4.524 62 HG22 THR 8 HG22 THR 8 -18.475 12.582 5.396 63 HG23 THR 8 HG23 THR 8 -19.198 13.971 6.210 64 H TRP 9 H TRP 9 -19.506 9.330 5.986 65 HA TRP 9 HA TRP 9 -21.639 7.412 5.989 66 HB2 TRP 9 HB2 TRP 9 -18.804 7.315 7.016 67 HB3 TRP 9 HB3 TRP 9 -19.923 5.965 7.163 68 HD1 TRP 9 HD1 TRP 9 -18.364 8.145 4.370 69 HE1 TRP 9 HE1 TRP 9 -18.103 6.682 2.282 70 HE3 TRP 9 HE3 TRP 9 -20.520 3.839 6.106 71 HZ2 TRP 9 HZ2 TRP 9 -18.721 4.052 1.469 72 HZ3 TRP 9 HZ3 TRP 9 -20.648 1.897 4.594 73 HH2 TRP 9 HH2 TRP 9 -19.762 2.010 2.326 74 H SER 10 H SER 10 -22.921 6.802 7.576 75 HA SER 10 HA SER 10 -22.751 8.128 10.156 76 HB2 SER 10 HB2 SER 10 -24.884 6.787 10.571 77 HB3 SER 10 HB3 SER 10 -24.960 7.955 9.252 78 HG SER 10 HG SER 10 -24.634 6.248 7.789 79 HA PRO 11 HA PRO 11 -20.695 5.005 12.534 80 HB2 PRO 11 HB2 PRO 11 -23.151 4.729 14.202 81 HB3 PRO 11 HB3 PRO 11 -21.485 5.035 14.701 82 HG2 PRO 11 HG2 PRO 11 -23.269 6.998 14.705 83 HG3 PRO 11 HG3 PRO 11 -21.602 7.293 14.174 84 HD2 PRO 11 HD2 PRO 11 -24.087 6.993 12.546 85 HD3 PRO 11 HD3 PRO 11 -22.687 8.053 12.287 86 H GLU 12 H GLU 12 -24.094 4.239 11.876 87 HA GLU 12 HA GLU 12 -23.722 1.401 12.108 88 HB2 GLU 12 HB2 GLU 12 -26.000 2.963 10.876 89 HB3 GLU 12 HB3 GLU 12 -26.026 1.254 11.283 90 HG2 GLU 12 HG2 GLU 12 -25.756 1.813 13.645 91 HG3 GLU 12 HG3 GLU 12 -25.745 3.528 13.232 92 H GLU 13 H GLU 13 -23.088 3.672 9.707 93 HA GLU 13 HA GLU 13 -23.635 1.963 7.435 94 HB2 GLU 13 HB2 GLU 13 -23.783 4.583 7.709 95 HB3 GLU 13 HB3 GLU 13 -22.084 4.508 7.284 96 HG2 GLU 13 HG2 GLU 13 -22.608 3.482 5.175 97 HG3 GLU 13 HG3 GLU 13 -24.319 3.398 5.608 98 H GLU 14 H GLU 14 -20.786 3.493 8.936 99 HA GLU 14 HA GLU 14 -18.803 2.271 7.382 100 HB2 GLU 14 HB2 GLU 14 -18.668 3.060 10.303 101 HB3 GLU 14 HB3 GLU 14 -17.285 2.721 9.274 102 HG2 GLU 14 HG2 GLU 14 -17.869 4.626 7.860 103 HG3 GLU 14 HG3 GLU 14 -19.253 4.966 8.901 104 H ALA 15 H ALA 15 -20.507 1.160 10.269 105 HA ALA 15 HA ALA 15 -18.953 -1.170 10.692 106 HB1 ALA 15 HB1 ALA 15 -21.816 -0.687 11.481 107 HB2 ALA 15 HB2 ALA 15 -20.406 -0.161 12.402 108 HB3 ALA 15 HB3 ALA 15 -20.714 -1.880 12.166 109 H HIS 16 H HIS 16 -21.897 -0.553 8.878 110 HA HIS 16 HA HIS 16 -22.471 -3.189 8.132 111 HB2 HIS 16 HB2 HIS 16 -24.009 -1.149 7.992 112 HB3 HIS 16 HB3 HIS 16 -23.155 -0.729 6.515 113 HD1 HIS 16 HD1 HIS 16 -26.180 -1.346 6.504 114 HD2 HIS 16 HD2 HIS 16 -23.218 -4.144 5.713 115 HE1 HIS 16 HE1 HIS 16 -27.290 -3.141 5.137 116 HE2 HIS 16 HE2 HIS 16 -25.513 -4.890 4.783 117 H LEU 17 H LEU 17 -20.384 -0.716 6.871 118 HA LEU 17 HA LEU 17 -19.744 -1.737 4.364 119 HB2 LEU 17 HB2 LEU 17 -19.064 0.468 5.215 120 HB3 LEU 17 HB3 LEU 17 -17.985 -0.307 6.358 121 HG LEU 17 HG LEU 17 -16.775 -1.275 4.351 122 HD11 LEU 17 HD11 LEU 17 -17.045 -0.051 2.259 123 HD12 LEU 17 HD12 LEU 17 -18.422 0.803 2.950 124 HD13 LEU 17 HD13 LEU 17 -18.501 -0.940 2.702 125 HD21 LEU 17 HD21 LEU 17 -16.799 1.713 4.684 126 HD22 LEU 17 HD22 LEU 17 -15.483 0.737 4.031 127 HD23 LEU 17 HD23 LEU 17 -15.943 0.575 5.724 128 H ARG 18 H ARG 18 -18.026 -2.202 7.452 129 HA ARG 18 HA ARG 18 -16.397 -4.294 6.398 130 HB2 ARG 18 HB2 ARG 18 -15.634 -4.579 8.726 131 HB3 ARG 18 HB3 ARG 18 -15.547 -2.907 8.195 132 HG2 ARG 18 HG2 ARG 18 -17.702 -2.495 9.371 133 HG3 ARG 18 HG3 ARG 18 -17.597 -4.135 10.018 134 HD2 ARG 18 HD2 ARG 18 -15.479 -3.588 11.093 135 HD3 ARG 18 HD3 ARG 18 -15.541 -1.962 10.412 136 HE ARG 18 HE ARG 18 -17.594 -2.947 12.281 137 HH11 ARG 18 HH11 ARG 18 -15.238 -0.522 11.324 138 HH12 ARG 18 HH12 ARG 18 -15.711 0.596 12.567 139 HH21 ARG 18 HH21 ARG 18 -18.216 -1.465 13.894 140 HH22 ARG 18 HH22 ARG 18 -17.403 0.064 14.016 141 H GLU 19 H GLU 19 -19.417 -4.067 8.108 142 HA GLU 19 HA GLU 19 -19.767 -6.578 9.113 143 HB2 GLU 19 HB2 GLU 19 -21.359 -4.690 9.358 144 HB3 GLU 19 HB3 GLU 19 -21.871 -4.949 7.698 145 HG2 GLU 19 HG2 GLU 19 -23.457 -5.904 9.246 146 HG3 GLU 19 HG3 GLU 19 -22.686 -7.163 8.286 147 H LEU 20 H LEU 20 -20.466 -5.415 5.873 148 HA LEU 20 HA LEU 20 -21.330 -7.947 4.875 149 HB2 LEU 20 HB2 LEU 20 -21.256 -5.214 4.015 150 HB3 LEU 20 HB3 LEU 20 -20.629 -6.248 2.745 151 HG LEU 20 HG LEU 20 -23.240 -6.862 4.088 152 HD11 LEU 20 HD11 LEU 20 -23.223 -4.521 3.158 153 HD12 LEU 20 HD12 LEU 20 -24.406 -5.611 2.443 154 HD13 LEU 20 HD13 LEU 20 -22.922 -5.234 1.575 155 HD21 LEU 20 HD21 LEU 20 -22.047 -7.524 1.398 156 HD22 LEU 20 HD22 LEU 20 -23.631 -8.045 1.980 157 HD23 LEU 20 HD23 LEU 20 -22.164 -8.616 2.778 158 H TYR 21 H TYR 21 -18.309 -6.248 5.044 159 HA TYR 21 HA TYR 21 -16.933 -7.760 3.064 160 HB2 TYR 21 HB2 TYR 21 -16.080 -5.585 3.811 161 HB3 TYR 21 HB3 TYR 21 -15.871 -6.212 5.441 162 HD1 TYR 21 HD1 TYR 21 -14.811 -6.967 1.942 163 HD2 TYR 21 HD2 TYR 21 -13.785 -6.949 6.067 164 HE1 TYR 21 HE1 TYR 21 -12.525 -7.691 1.371 165 HE2 TYR 21 HE2 TYR 21 -11.504 -7.672 5.515 166 HH TYR 21 HH TYR 21 -10.317 -7.719 2.277 167 H LEU 22 H LEU 22 -17.108 -7.896 6.581 168 HA LEU 22 HA LEU 22 -15.362 -10.079 6.916 169 HB2 LEU 22 HB2 LEU 22 -17.612 -9.273 8.753 170 HB3 LEU 22 HB3 LEU 22 -16.137 -10.114 9.185 171 HG LEU 22 HG LEU 22 -16.280 -7.264 8.207 172 HD11 LEU 22 HD11 LEU 22 -17.253 -7.509 10.420 173 HD12 LEU 22 HD12 LEU 22 -15.723 -6.636 10.478 174 HD13 LEU 22 HD13 LEU 22 -15.793 -8.326 10.977 175 HD21 LEU 22 HD21 LEU 22 -13.951 -8.810 9.321 176 HD22 LEU 22 HD22 LEU 22 -13.950 -7.115 8.831 177 HD23 LEU 22 HD23 LEU 22 -14.184 -8.384 7.627 178 H ALA 23 H ALA 23 -18.681 -9.863 6.030 179 HA ALA 23 HA ALA 23 -19.386 -12.557 6.694 180 HB1 ALA 23 HB1 ALA 23 -21.447 -12.117 5.537 181 HB2 ALA 23 HB2 ALA 23 -20.760 -10.683 4.776 182 HB3 ALA 23 HB3 ALA 23 -21.031 -10.710 6.513 183 H ASN 24 H ASN 24 -18.092 -10.945 3.836 184 HA ASN 24 HA ASN 24 -18.416 -13.469 2.358 185 HB2 ASN 24 HB2 ASN 24 -18.438 -10.639 1.299 186 HB3 ASN 24 HB3 ASN 24 -18.511 -12.089 0.302 187 HD21 ASN 24 HD21 ASN 24 -20.222 -10.032 2.510 188 HD22 ASN 24 HD22 ASN 24 -21.790 -10.717 2.240 189 H LYS 25 H LYS 25 -16.101 -12.131 3.976 190 HA LYS 25 HA LYS 25 -14.058 -11.675 2.036 191 HB2 LYS 25 HB2 LYS 25 -12.520 -11.690 4.002 192 HB3 LYS 25 HB3 LYS 25 -13.870 -10.575 4.154 193 HG2 LYS 25 HG2 LYS 25 -15.033 -12.188 5.590 194 HG3 LYS 25 HG3 LYS 25 -13.659 -13.287 5.452 195 HD2 LYS 25 HD2 LYS 25 -13.496 -10.487 6.572 196 HD3 LYS 25 HD3 LYS 25 -13.679 -11.940 7.555 197 HE2 LYS 25 HE2 LYS 25 -11.566 -12.802 6.602 198 HE3 LYS 25 HE3 LYS 25 -11.381 -11.295 5.710 199 HZ1 LYS 25 HZ1 LYS 25 -10.091 -11.300 7.757 200 HZ2 LYS 25 HZ2 LYS 25 -11.494 -11.539 8.666 201 HZ3 LYS 25 HZ3 LYS 25 -11.281 -10.102 7.800 202 H ASP 26 H ASP 26 -15.429 -14.486 3.305 203 HA ASP 26 HA ASP 26 -13.129 -16.077 2.371 204 HB2 ASP 26 HB2 ASP 26 -13.781 -17.834 3.911 205 HB3 ASP 26 HB3 ASP 26 -13.591 -16.328 4.803 206 H VAL 27 H VAL 27 -15.840 -14.958 1.249 207 HA VAL 27 HA VAL 27 -16.946 -17.483 0.238 208 HB VAL 27 HB VAL 27 -18.098 -14.691 0.071 209 HG11 VAL 27 HG11 VAL 27 -19.315 -17.355 -0.671 210 HG12 VAL 27 HG12 VAL 27 -18.802 -16.097 -1.797 211 HG13 VAL 27 HG13 VAL 27 -20.144 -15.798 -0.695 212 HG21 VAL 27 HG21 VAL 27 -18.933 -17.017 1.800 213 HG22 VAL 27 HG22 VAL 27 -19.699 -15.430 1.738 214 HG23 VAL 27 HG23 VAL 27 -18.055 -15.594 2.357 215 H GLU 28 H GLU 28 -15.980 -18.154 -1.510 216 HA GLU 28 HA GLU 28 -15.121 -16.204 -3.512 217 HB2 GLU 28 HB2 GLU 28 -14.487 -19.147 -3.236 218 HB3 GLU 28 HB3 GLU 28 -13.861 -18.091 -4.499 219 HG2 GLU 28 HG2 GLU 28 -12.775 -16.710 -2.792 220 HG3 GLU 28 HG3 GLU 28 -13.382 -17.794 -1.542 221 H GLY 29 H GLY 29 -15.521 -16.727 -5.779 222 HA2 GLY 29 HA2 GLY 29 -16.979 -17.461 -7.490 223 HA3 GLY 29 HA3 GLY 29 -18.027 -18.164 -6.259 224 H GLN 30 H GLN 30 -17.176 -15.333 -5.076 225 HA GLN 30 HA GLN 30 -19.013 -13.606 -6.519 226 HB2 GLN 30 HB2 GLN 30 -20.438 -14.612 -4.823 227 HB3 GLN 30 HB3 GLN 30 -19.236 -14.306 -3.580 228 HG2 GLN 30 HG2 GLN 30 -19.572 -11.812 -4.301 229 HG3 GLN 30 HG3 GLN 30 -21.119 -12.414 -4.896 230 HE21 GLN 30 HE21 GLN 30 -19.135 -11.847 -2.114 231 HE22 GLN 30 HE22 GLN 30 -20.378 -12.054 -0.933 232 H ASP 31 H ASP 31 -18.363 -11.442 -6.351 233 HA ASP 31 HA ASP 31 -15.777 -10.941 -5.206 234 HB2 ASP 31 HB2 ASP 31 -17.846 -9.085 -6.380 235 HB3 ASP 31 HB3 ASP 31 -16.301 -8.535 -5.743 236 H VAL 32 H VAL 32 -15.363 -10.424 -3.141 237 HA VAL 32 HA VAL 32 -17.349 -10.002 -1.207 238 HB VAL 32 HB VAL 32 -14.933 -10.617 -0.750 239 HG11 VAL 32 HG11 VAL 32 -13.361 -8.745 -0.379 240 HG12 VAL 32 HG12 VAL 32 -14.535 -7.650 -1.115 241 HG13 VAL 32 HG13 VAL 32 -13.810 -8.941 -2.072 242 HG21 VAL 32 HG21 VAL 32 -16.161 -8.362 0.826 243 HG22 VAL 32 HG22 VAL 32 -14.864 -9.413 1.401 244 HG23 VAL 32 HG23 VAL 32 -16.454 -10.089 1.045 245 H VAL 33 H VAL 33 -15.541 -7.821 -3.253 246 HA VAL 33 HA VAL 33 -16.311 -5.353 -2.230 247 HB VAL 33 HB VAL 33 -16.162 -5.694 -5.185 248 HG11 VAL 33 HG11 VAL 33 -14.904 -3.736 -3.275 249 HG12 VAL 33 HG12 VAL 33 -16.372 -3.483 -4.214 250 HG13 VAL 33 HG13 VAL 33 -14.824 -3.659 -5.036 251 HG21 VAL 33 HG21 VAL 33 -13.877 -6.256 -3.319 252 HG22 VAL 33 HG22 VAL 33 -13.636 -5.747 -4.990 253 HG23 VAL 33 HG23 VAL 33 -14.488 -7.251 -4.642 254 H GLU 34 H GLU 34 -17.684 -7.138 -4.971 255 HA GLU 34 HA GLU 34 -19.839 -5.489 -5.501 256 HB2 GLU 34 HB2 GLU 34 -19.014 -7.310 -6.963 257 HB3 GLU 34 HB3 GLU 34 -19.698 -8.484 -5.850 258 HG2 GLU 34 HG2 GLU 34 -21.922 -7.692 -6.312 259 HG3 GLU 34 HG3 GLU 34 -21.281 -6.407 -7.335 260 H ALA 35 H ALA 35 -19.555 -8.172 -3.235 261 HA ALA 35 HA ALA 35 -22.229 -8.380 -2.465 262 HB1 ALA 35 HB1 ALA 35 -20.526 -9.989 -1.795 263 HB2 ALA 35 HB2 ALA 35 -21.392 -9.360 -0.393 264 HB3 ALA 35 HB3 ALA 35 -19.772 -8.771 -0.768 265 H ILE 36 H ILE 36 -19.625 -6.404 -1.115 266 HA ILE 36 HA ILE 36 -21.219 -5.148 0.853 267 HB ILE 36 HB ILE 36 -18.699 -4.066 -0.396 268 HG12 ILE 36 HG12 ILE 36 -18.909 -5.804 2.061 269 HG13 ILE 36 HG13 ILE 36 -18.561 -6.456 0.463 270 HG21 ILE 36 HG21 ILE 36 -18.435 -2.955 1.775 271 HG22 ILE 36 HG22 ILE 36 -19.977 -3.629 2.302 272 HG23 ILE 36 HG23 ILE 36 -19.929 -2.470 0.974 273 HD11 ILE 36 HD11 ILE 36 -16.571 -5.009 0.360 274 HD12 ILE 36 HD12 ILE 36 -16.528 -6.172 1.681 275 HD13 ILE 36 HD13 ILE 36 -16.911 -4.483 2.008 276 H LEU 37 H LEU 37 -19.991 -4.039 -2.296 277 HA LEU 37 HA LEU 37 -20.992 -1.455 -2.305 278 HB2 LEU 37 HB2 LEU 37 -21.066 -3.151 -4.774 279 HB3 LEU 37 HB3 LEU 37 -20.782 -1.441 -4.653 280 HG LEU 37 HG LEU 37 -18.826 -3.512 -3.672 281 HD11 LEU 37 HD11 LEU 37 -19.165 -3.758 -6.078 282 HD12 LEU 37 HD12 LEU 37 -17.579 -3.076 -5.724 283 HD13 LEU 37 HD13 LEU 37 -18.878 -2.034 -6.299 284 HD21 LEU 37 HD21 LEU 37 -18.526 -0.580 -4.278 285 HD22 LEU 37 HD22 LEU 37 -17.250 -1.667 -3.736 286 HD23 LEU 37 HD23 LEU 37 -18.606 -1.297 -2.672 287 H ALA 38 H ALA 38 -22.630 -4.451 -3.109 288 HA ALA 38 HA ALA 38 -24.925 -3.053 -4.201 289 HB1 ALA 38 HB1 ALA 38 -25.699 -5.248 -4.870 290 HB2 ALA 38 HB2 ALA 38 -24.396 -6.003 -3.950 291 HB3 ALA 38 HB3 ALA 38 -24.021 -5.002 -5.351 292 H HIS 39 H HIS 39 -24.236 -5.153 -1.393 293 HA HIS 39 HA HIS 39 -27.040 -5.499 -0.895 294 HB2 HIS 39 HB2 HIS 39 -24.593 -6.397 0.588 295 HB3 HIS 39 HB3 HIS 39 -26.206 -6.624 1.252 296 HD1 HIS 39 HD1 HIS 39 -27.818 -8.210 -0.147 297 HD2 HIS 39 HD2 HIS 39 -23.842 -8.208 -1.322 298 HE1 HIS 39 HE1 HIS 39 -27.543 -10.245 -1.590 299 HE2 HIS 39 HE2 HIS 39 -25.192 -10.079 -2.477 300 H LEU 40 H LEU 40 -24.829 -3.048 0.001 301 HA LEU 40 HA LEU 40 -26.815 -2.180 1.972 302 HB2 LEU 40 HB2 LEU 40 -25.059 -0.284 2.387 303 HB3 LEU 40 HB3 LEU 40 -24.888 -1.852 3.137 304 HG LEU 40 HG LEU 40 -23.320 -2.383 1.137 305 HD11 LEU 40 HD11 LEU 40 -22.131 -0.465 0.238 306 HD12 LEU 40 HD12 LEU 40 -23.211 0.630 1.102 307 HD13 LEU 40 HD13 LEU 40 -23.841 -0.395 -0.192 308 HD21 LEU 40 HD21 LEU 40 -22.578 -2.226 3.425 309 HD22 LEU 40 HD22 LEU 40 -22.559 -0.464 3.330 310 HD23 LEU 40 HD23 LEU 40 -21.426 -1.413 2.367 311 H ASN 41 H ASN 41 -28.351 -1.730 0.421 312 HA ASN 41 HA ASN 41 -27.825 0.252 -1.616 313 HB2 ASN 41 HB2 ASN 41 -30.160 -0.116 -2.287 314 HB3 ASN 41 HB3 ASN 41 -29.297 -1.639 -2.131 315 HD21 ASN 41 HD21 ASN 41 -32.128 -1.145 -2.094 316 HD22 ASN 41 HD22 ASN 41 -32.721 -1.737 -0.581 317 H THR 42 H THR 42 -27.315 1.250 0.845 318 HA THR 42 HA THR 42 -29.599 2.948 1.559 319 HB THR 42 HB THR 42 -28.573 1.615 3.377 320 HG1 THR 42 HG1 THR 42 -28.508 4.430 3.424 321 HG21 THR 42 HG21 THR 42 -26.282 1.510 2.562 322 HG22 THR 42 HG22 THR 42 -26.315 2.195 4.188 323 HG23 THR 42 HG23 THR 42 -26.100 3.251 2.789 324 H VAL 43 H VAL 43 -27.114 3.080 -0.516 325 HA VAL 43 HA VAL 43 -26.776 5.931 -0.289 326 HB VAL 43 HB VAL 43 -25.192 5.193 1.379 327 HG11 VAL 43 HG11 VAL 43 -24.780 2.931 0.637 328 HG12 VAL 43 HG12 VAL 43 -23.252 3.799 0.771 329 HG13 VAL 43 HG13 VAL 43 -23.971 3.523 -0.814 330 HG21 VAL 43 HG21 VAL 43 -24.557 7.139 0.155 331 HG22 VAL 43 HG22 VAL 43 -23.922 6.163 -1.168 332 HG23 VAL 43 HG23 VAL 43 -23.112 6.153 0.402 333 HA PRO 44 HA PRO 44 -25.607 5.229 -4.593 334 HB2 PRO 44 HB2 PRO 44 -25.951 7.993 -5.118 335 HB3 PRO 44 HB3 PRO 44 -27.071 6.689 -5.510 336 HG2 PRO 44 HG2 PRO 44 -27.513 8.730 -3.650 337 HG3 PRO 44 HG3 PRO 44 -28.443 7.232 -3.798 338 HD2 PRO 44 HD2 PRO 44 -26.279 7.942 -1.876 339 HD3 PRO 44 HD3 PRO 44 -27.704 6.904 -1.650 340 H ARG 45 H ARG 45 -23.407 4.850 -3.928 341 HA ARG 45 HA ARG 45 -21.725 7.224 -4.321 342 HB2 ARG 45 HB2 ARG 45 -20.040 6.220 -2.740 343 HB3 ARG 45 HB3 ARG 45 -21.507 6.831 -1.980 344 HG2 ARG 45 HG2 ARG 45 -22.382 4.546 -1.832 345 HG3 ARG 45 HG3 ARG 45 -20.906 3.941 -2.586 346 HD2 ARG 45 HD2 ARG 45 -21.174 3.916 0.014 347 HD3 ARG 45 HD3 ARG 45 -19.630 4.320 -0.719 348 HE ARG 45 HE ARG 45 -20.175 6.663 -0.337 349 HH11 ARG 45 HH11 ARG 45 -21.902 4.272 1.555 350 HH12 ARG 45 HH12 ARG 45 -22.374 5.393 2.798 351 HH21 ARG 45 HH21 ARG 45 -20.763 8.135 1.315 352 HH22 ARG 45 HH22 ARG 45 -21.698 7.575 2.664 353 H THR 46 H THR 46 -19.564 6.703 -5.111 354 HA THR 46 HA THR 46 -19.654 4.736 -7.158 355 HB THR 46 HB THR 46 -18.335 6.717 -7.557 356 HG1 THR 46 HG1 THR 46 -17.299 5.247 -8.693 357 HG21 THR 46 HG21 THR 46 -17.664 7.307 -5.301 358 HG22 THR 46 HG22 THR 46 -16.230 7.146 -6.312 359 HG23 THR 46 HG23 THR 46 -16.665 5.859 -5.191 360 H ARG 47 H ARG 47 -18.399 2.856 -7.348 361 HA ARG 47 HA ARG 47 -18.444 1.238 -5.052 362 HB2 ARG 47 HB2 ARG 47 -16.899 0.735 -7.603 363 HB3 ARG 47 HB3 ARG 47 -17.401 -0.472 -6.428 364 HG2 ARG 47 HG2 ARG 47 -19.109 1.087 -8.340 365 HG3 ARG 47 HG3 ARG 47 -18.904 -0.658 -8.226 366 HD2 ARG 47 HD2 ARG 47 -19.860 -0.234 -5.789 367 HD3 ARG 47 HD3 ARG 47 -20.555 1.177 -6.571 368 HE ARG 47 HE ARG 47 -21.050 -1.143 -8.114 369 HH11 ARG 47 HH11 ARG 47 -22.097 0.528 -5.227 370 HH12 ARG 47 HH12 ARG 47 -23.642 -0.250 -5.170 371 HH21 ARG 47 HH21 ARG 47 -23.084 -2.191 -8.049 372 HH22 ARG 47 HH22 ARG 47 -24.211 -1.792 -6.796 373 H LYS 48 H LYS 48 -16.072 3.300 -6.391 374 HA LYS 48 HA LYS 48 -13.700 2.289 -5.323 375 HB2 LYS 48 HB2 LYS 48 -13.798 4.036 -7.028 376 HB3 LYS 48 HB3 LYS 48 -14.537 5.136 -5.877 377 HG2 LYS 48 HG2 LYS 48 -12.469 5.041 -4.523 378 HG3 LYS 48 HG3 LYS 48 -11.740 4.032 -5.775 379 HD2 LYS 48 HD2 LYS 48 -11.046 6.306 -6.119 380 HD3 LYS 48 HD3 LYS 48 -12.156 5.860 -7.412 381 HE2 LYS 48 HE2 LYS 48 -13.990 6.975 -6.143 382 HE3 LYS 48 HE3 LYS 48 -12.794 7.504 -4.962 383 HZ1 LYS 48 HZ1 LYS 48 -13.244 9.238 -6.570 384 HZ2 LYS 48 HZ2 LYS 48 -12.822 8.216 -7.849 385 HZ3 LYS 48 HZ3 LYS 48 -11.649 8.705 -6.732 386 H GLN 49 H GLN 49 -16.253 4.212 -3.851 387 HA GLN 49 HA GLN 49 -14.758 5.146 -1.641 388 HB2 GLN 49 HB2 GLN 49 -17.735 4.750 -1.953 389 HB3 GLN 49 HB3 GLN 49 -16.991 5.502 -0.550 390 HG2 GLN 49 HG2 GLN 49 -15.901 7.023 -2.445 391 HG3 GLN 49 HG3 GLN 49 -17.375 6.549 -3.284 392 HE21 GLN 49 HE21 GLN 49 -16.589 9.171 -2.287 393 HE22 GLN 49 HE22 GLN 49 -17.832 9.655 -1.184 394 H ILE 50 H ILE 50 -16.957 2.379 -1.993 395 HA ILE 50 HA ILE 50 -16.879 1.457 0.622 396 HB ILE 50 HB ILE 50 -17.276 0.029 -1.986 397 HG12 ILE 50 HG12 ILE 50 -19.492 -0.422 -0.488 398 HG13 ILE 50 HG13 ILE 50 -18.968 1.116 0.185 399 HG21 ILE 50 HG21 ILE 50 -17.848 -2.023 -0.773 400 HG22 ILE 50 HG22 ILE 50 -17.299 -1.276 0.728 401 HG23 ILE 50 HG23 ILE 50 -16.151 -1.588 -0.574 402 HD11 ILE 50 HD11 ILE 50 -20.539 1.567 -1.532 403 HD12 ILE 50 HD12 ILE 50 -19.702 0.507 -2.671 404 HD13 ILE 50 HD13 ILE 50 -18.951 2.027 -2.148 405 H ILE 51 H ILE 51 -14.810 0.463 -2.092 406 HA ILE 51 HA ILE 51 -13.135 -1.303 -0.754 407 HB ILE 51 HB ILE 51 -12.401 0.595 -2.983 408 HG12 ILE 51 HG12 ILE 51 -13.305 -2.283 -3.109 409 HG13 ILE 51 HG13 ILE 51 -14.337 -0.895 -3.439 410 HG21 ILE 51 HG21 ILE 51 -10.582 -0.943 -3.485 411 HG22 ILE 51 HG22 ILE 51 -11.042 -1.957 -2.119 412 HG23 ILE 51 HG23 ILE 51 -10.431 -0.327 -1.840 413 HD11 ILE 51 HD11 ILE 51 -13.529 -1.916 -5.486 414 HD12 ILE 51 HD12 ILE 51 -11.864 -1.654 -4.969 415 HD13 ILE 51 HD13 ILE 51 -12.910 -0.275 -5.306 416 H HIS 52 H HIS 52 -12.766 2.172 -1.249 417 HA HIS 52 HA HIS 52 -10.253 2.419 -0.052 418 HB2 HIS 52 HB2 HIS 52 -12.428 4.271 -0.830 419 HB3 HIS 52 HB3 HIS 52 -11.266 4.874 0.348 420 HD1 HIS 52 HD1 HIS 52 -9.494 6.156 -0.753 421 HD2 HIS 52 HD2 HIS 52 -10.784 2.982 -3.113 422 HE1 HIS 52 HE1 HIS 52 -8.065 6.219 -2.810 423 HE2 HIS 52 HE2 HIS 52 -8.965 4.392 -4.290 424 H HIS 53 H HIS 53 -13.502 2.703 1.364 425 HA HIS 53 HA HIS 53 -12.494 3.674 3.856 426 HB2 HIS 53 HB2 HIS 53 -15.198 2.501 3.192 427 HB3 HIS 53 HB3 HIS 53 -14.795 3.321 4.696 428 HD1 HIS 53 HD1 HIS 53 -13.371 5.790 3.705 429 HD2 HIS 53 HD2 HIS 53 -16.825 4.258 1.940 430 HE1 HIS 53 HE1 HIS 53 -14.345 7.691 2.385 431 HE2 HIS 53 HE2 HIS 53 -16.322 6.708 1.189 432 H LEU 54 H LEU 54 -13.015 0.540 2.528 433 HA LEU 54 HA LEU 54 -12.948 -0.953 4.961 434 HB2 LEU 54 HB2 LEU 54 -12.390 -1.667 2.093 435 HB3 LEU 54 HB3 LEU 54 -12.289 -2.838 3.391 436 HG LEU 54 HG LEU 54 -14.805 -1.282 2.841 437 HD11 LEU 54 HD11 LEU 54 -14.084 -2.508 0.819 438 HD12 LEU 54 HD12 LEU 54 -15.579 -3.127 1.511 439 HD13 LEU 54 HD13 LEU 54 -14.066 -3.996 1.764 440 HD21 LEU 54 HD21 LEU 54 -14.623 -2.370 5.035 441 HD22 LEU 54 HD22 LEU 54 -14.272 -3.908 4.245 442 HD23 LEU 54 HD23 LEU 54 -15.849 -3.148 4.033 443 H VAL 55 H VAL 55 -10.602 -0.282 2.446 444 HA VAL 55 HA VAL 55 -8.377 -1.470 3.654 445 HB VAL 55 HB VAL 55 -9.004 0.353 1.424 446 HG11 VAL 55 HG11 VAL 55 -6.993 1.318 2.403 447 HG12 VAL 55 HG12 VAL 55 -6.754 0.680 0.778 448 HG13 VAL 55 HG13 VAL 55 -6.179 -0.230 2.179 449 HG21 VAL 55 HG21 VAL 55 -7.973 -1.372 0.083 450 HG22 VAL 55 HG22 VAL 55 -9.233 -2.021 1.134 451 HG23 VAL 55 HG23 VAL 55 -7.532 -2.244 1.551 452 H GLN 56 H GLN 56 -9.747 1.763 3.724 453 HA GLN 56 HA GLN 56 -7.612 2.988 5.155 454 HB2 GLN 56 HB2 GLN 56 -10.360 3.722 4.321 455 HB3 GLN 56 HB3 GLN 56 -9.677 4.622 5.660 456 HG2 GLN 56 HG2 GLN 56 -7.814 5.324 4.290 457 HG3 GLN 56 HG3 GLN 56 -8.377 4.315 2.956 458 HE21 GLN 56 HE21 GLN 56 -10.123 4.947 1.766 459 HE22 GLN 56 HE22 GLN 56 -10.759 6.553 1.799 460 H MET 57 H MET 57 -10.212 0.952 6.104 461 HA MET 57 HA MET 57 -10.277 1.968 8.824 462 HB2 MET 57 HB2 MET 57 -12.294 1.062 7.496 463 HB3 MET 57 HB3 MET 57 -11.652 -0.529 7.874 464 HG2 MET 57 HG2 MET 57 -11.771 0.036 10.273 465 HG3 MET 57 HG3 MET 57 -12.518 1.571 9.844 466 HE1 MET 57 HE1 MET 57 -14.764 1.653 8.330 467 HE2 MET 57 HE2 MET 57 -15.832 0.271 8.096 468 HE3 MET 57 HE3 MET 57 -14.287 0.342 7.248 469 H GLY 58 H GLY 58 -8.250 0.033 7.134 470 HA2 GLY 58 HA2 GLY 58 -6.373 -1.053 7.978 471 HA3 GLY 58 HA3 GLY 58 -7.096 -1.010 9.579 472 H LEU 59 H LEU 59 -9.464 -2.169 7.671 473 HA LEU 59 HA LEU 59 -8.874 -4.898 8.477 474 HB2 LEU 59 HB2 LEU 59 -11.220 -5.360 7.830 475 HB3 LEU 59 HB3 LEU 59 -11.058 -4.123 9.060 476 HG LEU 59 HG LEU 59 -11.201 -2.490 7.015 477 HD11 LEU 59 HD11 LEU 59 -11.131 -4.237 5.320 478 HD12 LEU 59 HD12 LEU 59 -12.637 -3.320 5.253 479 HD13 LEU 59 HD13 LEU 59 -12.617 -4.931 5.971 480 HD21 LEU 59 HD21 LEU 59 -13.624 -2.395 7.306 481 HD22 LEU 59 HD22 LEU 59 -12.791 -2.570 8.851 482 HD23 LEU 59 HD23 LEU 59 -13.591 -3.960 8.117 483 H ALA 60 H ALA 60 -8.548 -2.953 5.795 484 HA ALA 60 HA ALA 60 -7.904 -5.296 4.165 485 HB1 ALA 60 HB1 ALA 60 -9.493 -2.921 3.306 486 HB2 ALA 60 HB2 ALA 60 -9.922 -4.629 3.202 487 HB3 ALA 60 HB3 ALA 60 -8.659 -3.970 2.166 488 H ASP 61 H ASP 61 -6.247 -4.911 2.537 489 HA ASP 61 HA ASP 61 -4.186 -3.242 3.702 490 HB2 ASP 61 HB2 ASP 61 -3.434 -5.393 3.045 491 HB3 ASP 61 HB3 ASP 61 -4.164 -5.248 1.450 492 H SER 62 H SER 62 -5.565 -3.534 0.416 493 HA SER 62 HA SER 62 -5.420 -0.709 0.002 494 HB2 SER 62 HB2 SER 62 -3.026 -1.403 -0.289 495 HB3 SER 62 HB3 SER 62 -3.554 -2.420 -1.629 496 HG SER 62 HG SER 62 -2.941 -0.518 -2.558 497 H VAL 63 H VAL 63 -6.034 -0.130 -2.242 498 HA VAL 63 HA VAL 63 -8.250 -1.609 -3.184 499 HB VAL 63 HB VAL 63 -6.638 0.498 -4.645 500 HG11 VAL 63 HG11 VAL 63 -8.083 -0.782 -6.143 501 HG12 VAL 63 HG12 VAL 63 -8.666 0.872 -5.953 502 HG13 VAL 63 HG13 VAL 63 -9.466 -0.448 -5.103 503 HG21 VAL 63 HG21 VAL 63 -7.445 1.315 -2.500 504 HG22 VAL 63 HG22 VAL 63 -9.076 0.776 -2.895 505 HG23 VAL 63 HG23 VAL 63 -8.329 2.075 -3.824 506 H LYS 64 H LYS 64 -4.905 -1.893 -3.634 507 HA LYS 64 HA LYS 64 -4.581 -3.051 -6.125 508 HB2 LYS 64 HB2 LYS 64 -2.499 -3.658 -5.356 509 HB3 LYS 64 HB3 LYS 64 -2.942 -2.498 -4.120 510 HG2 LYS 64 HG2 LYS 64 -3.704 -4.380 -2.706 511 HG3 LYS 64 HG3 LYS 64 -3.088 -5.488 -3.929 512 HD2 LYS 64 HD2 LYS 64 -0.851 -4.307 -3.639 513 HD3 LYS 64 HD3 LYS 64 -1.551 -3.588 -2.185 514 HE2 LYS 64 HE2 LYS 64 -1.115 -6.504 -2.778 515 HE3 LYS 64 HE3 LYS 64 -0.355 -5.537 -1.517 516 HZ1 LYS 64 HZ1 LYS 64 -3.238 -6.237 -1.655 517 HZ2 LYS 64 HZ2 LYS 64 -2.507 -5.306 -0.441 518 HZ3 LYS 64 HZ3 LYS 64 -2.104 -6.944 -0.620 519 H ASP 65 H ASP 65 -5.788 -4.329 -3.180 520 HA ASP 65 HA ASP 65 -5.699 -7.092 -4.040 521 HB2 ASP 65 HB2 ASP 65 -5.143 -6.227 -1.722 522 HB3 ASP 65 HB3 ASP 65 -6.856 -5.923 -1.513 523 H PHE 66 H PHE 66 -7.835 -4.479 -4.159 524 HA PHE 66 HA PHE 66 -10.230 -6.159 -4.302 525 HB2 PHE 66 HB2 PHE 66 -9.750 -3.217 -3.944 526 HB3 PHE 66 HB3 PHE 66 -11.320 -3.802 -4.490 527 HD1 PHE 66 HD1 PHE 66 -8.841 -4.067 -1.755 528 HD2 PHE 66 HD2 PHE 66 -12.887 -4.556 -2.961 529 HE1 PHE 66 HE1 PHE 66 -9.499 -4.377 0.585 530 HE2 PHE 66 HE2 PHE 66 -13.559 -4.881 -0.624 531 HZ PHE 66 HZ PHE 66 -11.852 -4.765 1.171 532 H GLN 67 H GLN 67 -8.468 -3.705 -6.181 533 HA GLN 67 HA GLN 67 -9.863 -4.608 -8.584 534 HB2 GLN 67 HB2 GLN 67 -9.794 -1.798 -7.522 535 HB3 GLN 67 HB3 GLN 67 -10.034 -2.129 -9.238 536 HG2 GLN 67 HG2 GLN 67 -12.009 -3.492 -8.658 537 HG3 GLN 67 HG3 GLN 67 -11.779 -3.051 -6.967 538 HE21 GLN 67 HE21 GLN 67 -14.059 -2.542 -8.652 539 HE22 GLN 67 HE22 GLN 67 -14.258 -0.825 -8.694 540 H ARG 68 H ARG 68 -7.755 -1.870 -7.975 541 HA ARG 68 HA ARG 68 -6.061 -2.830 -10.177 542 HB2 ARG 68 HB2 ARG 68 -6.350 -0.005 -9.141 543 HB3 ARG 68 HB3 ARG 68 -5.482 -0.511 -10.585 544 HG2 ARG 68 HG2 ARG 68 -7.607 -1.254 -11.579 545 HG3 ARG 68 HG3 ARG 68 -8.458 -0.685 -10.140 546 HD2 ARG 68 HD2 ARG 68 -8.601 0.966 -11.912 547 HD3 ARG 68 HD3 ARG 68 -7.636 1.585 -10.574 548 HE ARG 68 HE ARG 68 -6.024 0.346 -12.572 549 HH11 ARG 68 HH11 ARG 68 -7.732 3.299 -11.793 550 HH12 ARG 68 HH12 ARG 68 -6.701 4.294 -12.768 551 HH21 ARG 68 HH21 ARG 68 -4.672 1.643 -13.839 552 HH22 ARG 68 HH22 ARG 68 -4.941 3.356 -13.918 553 H LYS 69 H LYS 69 -3.943 -3.260 -9.806 554 HA LYS 69 HA LYS 69 -3.064 -3.374 -7.125 555 HB2 LYS 69 HB2 LYS 69 -0.821 -4.012 -8.144 556 HB3 LYS 69 HB3 LYS 69 -2.185 -5.072 -8.445 557 HG2 LYS 69 HG2 LYS 69 -2.429 -4.193 -10.673 558 HG3 LYS 69 HG3 LYS 69 -1.159 -3.005 -10.372 559 HD2 LYS 69 HD2 LYS 69 0.514 -4.646 -10.282 560 HD3 LYS 69 HD3 LYS 69 -0.656 -5.949 -10.074 561 HE2 LYS 69 HE2 LYS 69 -0.391 -4.280 -12.569 562 HE3 LYS 69 HE3 LYS 69 0.376 -5.850 -12.337 563 HZ1 LYS 69 HZ1 LYS 69 -2.552 -5.350 -12.248 564 HZ2 LYS 69 HZ2 LYS 69 -1.791 -6.852 -12.087 565 HZ3 LYS 69 HZ3 LYS 69 -1.712 -6.021 -13.554 566 H GLY 70 H GLY 70 -3.036 -1.425 -6.201 567 HA2 GLY 70 HA2 GLY 70 -0.735 0.252 -6.966 568 HA3 GLY 70 HA3 GLY 70 -2.237 0.943 -6.360 569 H THR 71 H THR 71 0.750 0.490 -5.421 570 HA THR 71 HA THR 71 0.332 -0.806 -2.875 571 HB THR 71 HB THR 71 2.745 -0.068 -2.495 572 HG1 THR 71 HG1 THR 71 3.843 0.459 -4.510 573 HG21 THR 71 HG21 THR 71 2.135 -2.334 -3.147 574 HG22 THR 71 HG22 THR 71 3.616 -1.836 -3.965 575 HG23 THR 71 HG23 THR 71 2.087 -1.849 -4.842 576 H HIS 72 H HIS 72 -0.556 0.192 -1.209 577 HA HIS 72 HA HIS 72 -0.608 2.979 -0.799 578 HB2 HIS 72 HB2 HIS 72 -1.121 2.386 1.578 579 HB3 HIS 72 HB3 HIS 72 -2.099 1.467 0.442 580 HD1 HIS 72 HD1 HIS 72 -0.241 1.003 3.431 581 HD2 HIS 72 HD2 HIS 72 -0.675 -1.221 -0.036 582 HE1 HIS 72 HE1 HIS 72 0.693 -1.265 3.930 583 HE2 HIS 72 HE2 HIS 72 -0.186 -2.683 2.037 584 H ILE 73 H ILE 73 1.030 1.846 2.018 585 HA ILE 73 HA ILE 73 2.968 0.404 0.753 586 HB ILE 73 HB ILE 73 3.646 3.105 0.635 587 HG12 ILE 73 HG12 ILE 73 3.915 1.249 -0.948 588 HG13 ILE 73 HG13 ILE 73 5.388 2.211 -0.765 589 HG21 ILE 73 HG21 ILE 73 5.892 3.115 1.646 590 HG22 ILE 73 HG22 ILE 73 5.586 1.525 2.350 591 HG23 ILE 73 HG23 ILE 73 4.647 2.923 2.880 592 HD11 ILE 73 HD11 ILE 73 6.079 0.382 0.908 593 HD12 ILE 73 HD12 ILE 73 6.123 0.004 -0.812 594 HD13 ILE 73 HD13 ILE 73 4.782 -0.565 0.179 595 H VAL 74 H VAL 74 4.249 -0.771 2.060 596 HA VAL 74 HA VAL 74 3.723 -0.767 4.881 597 HB VAL 74 HB VAL 74 4.216 -2.907 4.148 598 HG11 VAL 74 HG11 VAL 74 6.097 -3.457 2.609 599 HG12 VAL 74 HG12 VAL 74 6.365 -1.725 2.414 600 HG13 VAL 74 HG13 VAL 74 4.835 -2.445 1.899 601 HG21 VAL 74 HG21 VAL 74 6.446 -3.553 4.965 602 HG22 VAL 74 HG22 VAL 74 5.611 -2.464 6.072 603 HG23 VAL 74 HG23 VAL 74 6.894 -1.849 5.029 604 H LEU 75 H LEU 75 4.814 0.407 6.364 605 HA LEU 75 HA LEU 75 6.148 2.681 5.653 606 HB2 LEU 75 HB2 LEU 75 6.825 2.904 7.985 607 HB3 LEU 75 HB3 LEU 75 5.159 2.381 7.844 608 HG LEU 75 HG LEU 75 7.117 0.199 8.155 609 HD11 LEU 75 HD11 LEU 75 7.411 0.577 10.545 610 HD12 LEU 75 HD12 LEU 75 6.564 2.118 10.412 611 HD13 LEU 75 HD13 LEU 75 8.113 1.892 9.603 612 HD21 LEU 75 HD21 LEU 75 4.755 -0.265 8.169 613 HD22 LEU 75 HD22 LEU 75 4.490 0.910 9.456 614 HD23 LEU 75 HD23 LEU 75 5.408 -0.560 9.778 615 H TRP 76 H TRP 76 7.895 2.729 4.413 616 HA TRP 76 HA TRP 76 10.062 0.840 4.915 617 HB2 TRP 76 HB2 TRP 76 9.328 2.543 2.556 618 HB3 TRP 76 HB3 TRP 76 10.953 1.883 2.713 619 HD1 TRP 76 HD1 TRP 76 7.766 1.085 1.194 620 HE1 TRP 76 HE1 TRP 76 7.595 -1.412 0.600 621 HE3 TRP 76 HE3 TRP 76 11.677 -0.661 3.956 622 HZ2 TRP 76 HZ2 TRP 76 8.929 -3.807 1.237 623 HZ3 TRP 76 HZ3 TRP 76 12.164 -3.071 3.912 624 HH2 TRP 76 HH2 TRP 76 10.816 -4.609 2.586 625 H THR 77 H THR 77 11.560 1.472 6.247 626 HA THR 77 HA THR 77 12.507 4.243 6.174 627 HB THR 77 HB THR 77 13.815 3.576 8.199 628 HG1 THR 77 HG1 THR 77 12.819 1.480 9.123 629 HG21 THR 77 HG21 THR 77 10.836 3.069 8.360 630 HG22 THR 77 HG22 THR 77 11.631 4.641 8.465 631 HG23 THR 77 HG23 THR 77 11.887 3.439 9.728 632 H GLY 78 H GLY 78 15.008 4.369 6.399 633 HA2 GLY 78 HA2 GLY 78 16.228 3.109 4.188 634 HA3 GLY 78 HA3 GLY 78 17.071 3.971 5.470 635 H ASP 79 H ASP 79 15.968 2.240 7.552 636 HA ASP 79 HA ASP 79 18.020 0.240 7.476 637 HB2 ASP 79 HB2 ASP 79 17.265 1.483 9.534 638 HB3 ASP 79 HB3 ASP 79 15.796 0.511 9.501 639 H GLN 80 H GLN 80 14.425 0.129 7.451 640 HA GLN 80 HA GLN 80 14.352 -2.705 7.206 641 HB2 GLN 80 HB2 GLN 80 12.397 -1.180 7.909 642 HB3 GLN 80 HB3 GLN 80 12.149 -0.902 6.182 643 HG2 GLN 80 HG2 GLN 80 11.978 -3.375 5.897 644 HG3 GLN 80 HG3 GLN 80 12.034 -3.531 7.648 645 HE21 GLN 80 HE21 GLN 80 10.352 -1.014 5.846 646 HE22 GLN 80 HE22 GLN 80 8.769 -1.467 6.359 647 H GLU 81 H GLU 81 14.785 -0.096 4.973 648 HA GLU 81 HA GLU 81 14.315 -1.423 2.542 649 HB2 GLU 81 HB2 GLU 81 14.686 0.997 2.693 650 HB3 GLU 81 HB3 GLU 81 16.341 0.726 3.209 651 HG2 GLU 81 HG2 GLU 81 16.793 -0.353 1.026 652 HG3 GLU 81 HG3 GLU 81 15.159 0.073 0.522 653 H LEU 82 H LEU 82 17.247 -1.077 4.493 654 HA LEU 82 HA LEU 82 18.923 -2.686 2.908 655 HB2 LEU 82 HB2 LEU 82 19.809 -1.171 4.582 656 HB3 LEU 82 HB3 LEU 82 19.005 -2.068 5.857 657 HG LEU 82 HG LEU 82 20.423 -4.062 5.123 658 HD11 LEU 82 HD11 LEU 82 21.944 -1.844 3.767 659 HD12 LEU 82 HD12 LEU 82 21.150 -3.209 2.980 660 HD13 LEU 82 HD13 LEU 82 22.540 -3.484 4.029 661 HD21 LEU 82 HD21 LEU 82 22.258 -3.361 6.511 662 HD22 LEU 82 HD22 LEU 82 20.733 -2.769 7.178 663 HD23 LEU 82 HD23 LEU 82 21.801 -1.669 6.304 664 H GLU 83 H GLU 83 16.850 -3.391 5.671 665 HA GLU 83 HA GLU 83 17.455 -6.053 6.117 666 HB2 GLU 83 HB2 GLU 83 16.011 -4.859 7.614 667 HB3 GLU 83 HB3 GLU 83 14.838 -4.563 6.342 668 HG2 GLU 83 HG2 GLU 83 15.380 -7.394 6.839 669 HG3 GLU 83 HG3 GLU 83 14.678 -6.532 8.207 670 H LEU 84 H LEU 84 14.897 -4.755 4.023 671 HA LEU 84 HA LEU 84 14.150 -7.210 2.887 672 HB2 LEU 84 HB2 LEU 84 12.831 -5.083 2.887 673 HB3 LEU 84 HB3 LEU 84 13.920 -4.453 1.675 674 HG LEU 84 HG LEU 84 11.627 -5.356 0.922 675 HD11 LEU 84 HD11 LEU 84 13.406 -4.736 -0.615 676 HD12 LEU 84 HD12 LEU 84 12.516 -6.148 -1.182 677 HD13 LEU 84 HD13 LEU 84 14.111 -6.346 -0.456 678 HD21 LEU 84 HD21 LEU 84 11.532 -7.738 0.436 679 HD22 LEU 84 HD22 LEU 84 11.707 -7.457 2.170 680 HD23 LEU 84 HD23 LEU 84 13.096 -7.974 1.214 681 H GLN 85 H GLN 85 16.517 -4.784 1.931 682 HA GLN 85 HA GLN 85 17.204 -5.768 -0.582 683 HB2 GLN 85 HB2 GLN 85 17.909 -3.582 0.379 684 HB3 GLN 85 HB3 GLN 85 19.031 -4.431 1.422 685 HG2 GLN 85 HG2 GLN 85 19.185 -4.758 -1.544 686 HG3 GLN 85 HG3 GLN 85 19.860 -3.333 -0.773 687 HE21 GLN 85 HE21 GLN 85 20.796 -4.684 1.597 688 HE22 GLN 85 HE22 GLN 85 22.135 -5.658 1.118 689 H ARG 86 H ARG 86 18.812 -6.432 2.556 690 HA ARG 86 HA ARG 86 20.570 -8.372 1.467 691 HB2 ARG 86 HB2 ARG 86 19.749 -7.600 4.227 692 HB3 ARG 86 HB3 ARG 86 20.618 -9.109 3.994 693 HG2 ARG 86 HG2 ARG 86 22.313 -7.667 2.688 694 HG3 ARG 86 HG3 ARG 86 21.535 -6.309 3.504 695 HD2 ARG 86 HD2 ARG 86 23.560 -7.264 4.668 696 HD3 ARG 86 HD3 ARG 86 22.098 -7.145 5.647 697 HE ARG 86 HE ARG 86 22.132 -9.689 4.510 698 HH11 ARG 86 HH11 ARG 86 24.091 -7.848 6.742 699 HH12 ARG 86 HH12 ARG 86 24.526 -9.228 7.695 700 HH21 ARG 86 HH21 ARG 86 22.691 -11.504 5.728 701 HH22 ARG 86 HH22 ARG 86 23.734 -11.325 7.109 702 H LEU 87 H LEU 87 17.485 -8.640 3.158 703 HA LEU 87 HA LEU 87 17.471 -11.423 3.479 704 HB2 LEU 87 HB2 LEU 87 15.923 -9.555 4.434 705 HB3 LEU 87 HB3 LEU 87 14.964 -9.861 2.999 706 HG LEU 87 HG LEU 87 14.972 -12.319 3.753 707 HD11 LEU 87 HD11 LEU 87 15.185 -12.600 6.196 708 HD12 LEU 87 HD12 LEU 87 15.815 -10.955 6.303 709 HD13 LEU 87 HD13 LEU 87 16.710 -12.188 5.413 710 HD21 LEU 87 HD21 LEU 87 13.514 -10.219 5.339 711 HD22 LEU 87 HD22 LEU 87 13.056 -11.918 5.218 712 HD23 LEU 87 HD23 LEU 87 13.017 -10.888 3.788 713 H PHE 88 H PHE 88 16.164 -9.376 0.910 714 HA PHE 88 HA PHE 88 14.965 -11.266 -0.701 715 HB2 PHE 88 HB2 PHE 88 14.609 -9.098 -1.398 716 HB3 PHE 88 HB3 PHE 88 16.285 -8.634 -1.171 717 HD1 PHE 88 HD1 PHE 88 13.991 -10.477 -3.422 718 HD2 PHE 88 HD2 PHE 88 17.793 -8.625 -2.942 719 HE1 PHE 88 HE1 PHE 88 14.377 -10.640 -5.851 720 HE2 PHE 88 HE2 PHE 88 18.186 -8.789 -5.360 721 HZ PHE 88 HZ PHE 88 16.477 -9.790 -6.814 722 H GLU 89 H GLU 89 18.362 -10.204 -0.792 723 HA GLU 89 HA GLU 89 19.188 -11.875 -2.883 724 HB2 GLU 89 HB2 GLU 89 20.800 -10.896 -0.530 725 HB3 GLU 89 HB3 GLU 89 21.452 -11.509 -2.042 726 HG2 GLU 89 HG2 GLU 89 20.435 -9.642 -3.236 727 HG3 GLU 89 HG3 GLU 89 19.776 -9.038 -1.715 728 H GLU 90 H GLU 90 19.128 -12.361 0.610 729 HA GLU 90 HA GLU 90 20.698 -14.734 0.514 730 HB2 GLU 90 HB2 GLU 90 19.107 -13.338 2.636 731 HB3 GLU 90 HB3 GLU 90 19.885 -14.891 2.950 732 HG2 GLU 90 HG2 GLU 90 22.047 -13.856 2.252 733 HG3 GLU 90 HG3 GLU 90 21.211 -12.308 2.147 734 H PHE 91 H PHE 91 17.345 -14.085 0.109 735 HA PHE 91 HA PHE 91 16.772 -16.947 0.391 736 HB2 PHE 91 HB2 PHE 91 14.990 -14.542 0.550 737 HB3 PHE 91 HB3 PHE 91 14.333 -16.155 0.287 738 HD1 PHE 91 HD1 PHE 91 15.680 -13.842 2.689 739 HD2 PHE 91 HD2 PHE 91 14.758 -17.933 1.993 740 HE1 PHE 91 HE1 PHE 91 15.775 -14.273 5.108 741 HE2 PHE 91 HE2 PHE 91 14.850 -18.371 4.412 742 HZ PHE 91 HZ PHE 91 15.359 -16.541 5.973 743 H ARG 92 H ARG 92 17.698 -14.939 -2.000 744 HA ARG 92 HA ARG 92 16.040 -15.822 -4.151 745 HB2 ARG 92 HB2 ARG 92 18.969 -15.041 -4.177 746 HB3 ARG 92 HB3 ARG 92 17.983 -15.286 -5.608 747 HG2 ARG 92 HG2 ARG 92 16.539 -13.424 -4.885 748 HG3 ARG 92 HG3 ARG 92 17.630 -13.158 -3.521 749 HD2 ARG 92 HD2 ARG 92 18.383 -13.021 -6.438 750 HD3 ARG 92 HD3 ARG 92 18.107 -11.636 -5.385 751 HE ARG 92 HE ARG 92 20.162 -13.496 -4.511 752 HH11 ARG 92 HH11 ARG 92 19.432 -10.520 -6.230 753 HH12 ARG 92 HH12 ARG 92 21.055 -9.923 -6.132 754 HH21 ARG 92 HH21 ARG 92 22.289 -12.712 -4.398 755 HH22 ARG 92 HH22 ARG 92 22.678 -11.172 -5.101 756 H ASP 93 H ASP 93 18.316 -17.219 -2.155 757 HA ASP 93 HA ASP 93 19.208 -19.350 -3.863 758 HB2 ASP 93 HB2 ASP 93 20.541 -18.261 -2.025 759 HB3 ASP 93 HB3 ASP 93 19.462 -19.028 -0.869 760 H SER 94 H SER 94 16.335 -18.747 -2.410 761 HA SER 94 HA SER 94 15.819 -21.544 -1.678 762 HB2 SER 94 HB2 SER 94 14.186 -19.065 -1.077 763 HB3 SER 94 HB3 SER 94 13.869 -20.691 -0.470 764 HG SER 94 HG SER 94 16.409 -19.974 0.061 765 H ASP 95 H ASP 95 13.207 -21.852 -2.017 766 HA ASP 95 HA ASP 95 12.939 -21.987 -4.884 767 HB2 ASP 95 HB2 ASP 95 10.944 -23.320 -4.424 768 HB3 ASP 95 HB3 ASP 95 12.274 -23.874 -3.413 769 H ASP 96 H ASP 96 11.798 -19.966 -2.356 770 HA ASP 96 HA ASP 96 10.659 -18.193 -4.332 771 HB2 ASP 96 HB2 ASP 96 8.735 -19.669 -3.602 772 HB3 ASP 96 HB3 ASP 96 8.943 -19.025 -1.976 773 H VAL 97 H VAL 97 11.815 -16.459 -3.868 774 HA VAL 97 HA VAL 97 13.036 -16.028 -1.381 775 HB VAL 97 HB VAL 97 14.181 -15.040 -3.141 776 HG11 VAL 97 HG11 VAL 97 11.569 -13.857 -4.025 777 HG12 VAL 97 HG12 VAL 97 12.613 -14.985 -4.893 778 HG13 VAL 97 HG13 VAL 97 13.125 -13.314 -4.647 779 HG21 VAL 97 HG21 VAL 97 12.696 -12.778 -1.816 780 HG22 VAL 97 HG22 VAL 97 14.219 -12.634 -2.693 781 HG23 VAL 97 HG23 VAL 97 14.145 -13.578 -1.206 782 H LEU 98 H LEU 98 10.053 -14.684 -2.773 783 HA LEU 98 HA LEU 98 9.716 -12.853 -0.580 784 HB2 LEU 98 HB2 LEU 98 8.068 -13.573 -2.964 785 HB3 LEU 98 HB3 LEU 98 7.334 -12.693 -1.638 786 HG LEU 98 HG LEU 98 9.229 -11.010 -1.923 787 HD11 LEU 98 HD11 LEU 98 10.741 -12.250 -3.274 788 HD12 LEU 98 HD12 LEU 98 10.134 -10.899 -4.233 789 HD13 LEU 98 HD13 LEU 98 9.506 -12.525 -4.501 790 HD21 LEU 98 HD21 LEU 98 7.181 -11.343 -4.104 791 HD22 LEU 98 HD22 LEU 98 8.042 -9.852 -3.717 792 HD23 LEU 98 HD23 LEU 98 6.929 -10.557 -2.545 793 H GLY 99 H GLY 99 8.395 -15.977 -1.523 794 HA2 GLY 99 HA2 GLY 99 6.475 -16.222 0.519 795 HA3 GLY 99 HA3 GLY 99 7.297 -17.566 -0.276 796 H HIS 100 H HIS 100 9.941 -16.674 0.509 797 HA HIS 100 HA HIS 100 9.927 -17.788 3.183 798 HB2 HIS 100 HB2 HIS 100 12.116 -17.151 1.218 799 HB3 HIS 100 HB3 HIS 100 12.476 -17.567 2.890 800 HD1 HIS 100 HD1 HIS 100 13.253 -19.915 2.939 801 HD2 HIS 100 HD2 HIS 100 10.089 -19.399 0.288 802 HE1 HIS 100 HE1 HIS 100 12.784 -22.194 1.994 803 HE2 HIS 100 HE2 HIS 100 10.959 -21.839 0.290 804 H ILE 101 H ILE 101 10.397 -14.716 1.601 805 HA ILE 101 HA ILE 101 11.474 -13.247 3.720 806 HB ILE 101 HB ILE 101 9.556 -12.429 1.526 807 HG12 ILE 101 HG12 ILE 101 12.475 -11.812 2.055 808 HG13 ILE 101 HG13 ILE 101 11.861 -12.939 0.854 809 HG21 ILE 101 HG21 ILE 101 9.925 -10.094 2.189 810 HG22 ILE 101 HG22 ILE 101 10.822 -10.638 3.607 811 HG23 ILE 101 HG23 ILE 101 9.103 -11.004 3.458 812 HD11 ILE 101 HD11 ILE 101 11.385 -9.966 0.871 813 HD12 ILE 101 HD12 ILE 101 10.817 -11.104 -0.352 814 HD13 ILE 101 HD13 ILE 101 12.547 -10.824 -0.143 815 H MET 102 H MET 102 8.062 -13.785 2.872 816 HA MET 102 HA MET 102 6.910 -12.391 4.985 817 HB2 MET 102 HB2 MET 102 5.900 -14.827 3.523 818 HB3 MET 102 HB3 MET 102 4.925 -13.835 4.598 819 HG2 MET 102 HG2 MET 102 5.216 -11.927 3.143 820 HG3 MET 102 HG3 MET 102 6.255 -12.880 2.077 821 HE1 MET 102 HE1 MET 102 3.003 -11.366 2.175 822 HE2 MET 102 HE2 MET 102 2.469 -12.112 0.665 823 HE3 MET 102 HE3 MET 102 4.078 -11.395 0.776 824 H LYS 103 H LYS 103 7.703 -15.837 4.783 825 HA LYS 103 HA LYS 103 6.561 -16.458 7.307 826 HB2 LYS 103 HB2 LYS 103 8.270 -17.945 5.348 827 HB3 LYS 103 HB3 LYS 103 7.987 -18.617 6.946 828 HG2 LYS 103 HG2 LYS 103 6.438 -19.502 5.257 829 HG3 LYS 103 HG3 LYS 103 5.605 -18.658 6.562 830 HD2 LYS 103 HD2 LYS 103 5.361 -16.685 5.143 831 HD3 LYS 103 HD3 LYS 103 6.235 -17.499 3.845 832 HE2 LYS 103 HE2 LYS 103 3.648 -18.484 5.037 833 HE3 LYS 103 HE3 LYS 103 3.761 -17.507 3.574 834 HZ1 LYS 103 HZ1 LYS 103 3.572 -19.864 3.074 835 HZ2 LYS 103 HZ2 LYS 103 4.982 -20.186 3.946 836 HZ3 LYS 103 HZ3 LYS 103 5.055 -19.252 2.537 837 H ASN 104 H ASN 104 9.597 -15.143 6.396 838 HA ASN 104 HA ASN 104 10.632 -15.769 9.090 839 HB2 ASN 104 HB2 ASN 104 12.157 -15.303 6.524 840 HB3 ASN 104 HB3 ASN 104 12.914 -15.402 8.108 841 HD21 ASN 104 HD21 ASN 104 11.343 -17.136 5.568 842 HD22 ASN 104 HD22 ASN 104 11.713 -18.728 6.142 843 H ILE 105 H ILE 105 9.018 -13.379 7.895 844 HA ILE 105 HA ILE 105 10.941 -11.312 8.708 845 HB ILE 105 HB ILE 105 9.974 -11.201 6.365 846 HG12 ILE 105 HG12 ILE 105 9.753 -8.740 6.429 847 HG13 ILE 105 HG13 ILE 105 9.664 -8.819 8.185 848 HG21 ILE 105 HG21 ILE 105 7.521 -10.314 7.872 849 HG22 ILE 105 HG22 ILE 105 7.662 -11.696 6.782 850 HG23 ILE 105 HG23 ILE 105 7.785 -10.051 6.147 851 HD11 ILE 105 HD11 ILE 105 11.897 -9.593 8.346 852 HD12 ILE 105 HD12 ILE 105 11.894 -8.210 7.256 853 HD13 ILE 105 HD13 ILE 105 11.997 -9.844 6.606 854 H THR 106 H THR 106 10.123 -9.463 9.808 855 HA THR 106 HA THR 106 8.254 -10.237 11.902 856 HB THR 106 HB THR 106 10.614 -9.233 12.215 857 HG1 THR 106 HG1 THR 106 8.650 -9.347 13.762 858 HG21 THR 106 HG21 THR 106 9.043 -6.716 11.650 859 HG22 THR 106 HG22 THR 106 10.378 -7.349 10.687 860 HG23 THR 106 HG23 THR 106 10.668 -6.768 12.328 861 H ALA 107 H ALA 107 8.415 -8.349 9.089 862 HA ALA 107 HA ALA 107 6.356 -6.458 9.876 863 HB1 ALA 107 HB1 ALA 107 8.284 -5.641 8.616 864 HB2 ALA 107 HB2 ALA 107 6.793 -5.436 7.696 865 HB3 ALA 107 HB3 ALA 107 7.897 -6.752 7.300 866 H LYS 108 H LYS 108 4.273 -6.477 9.051 867 HA LYS 108 HA LYS 108 3.474 -8.767 7.495 868 HB2 LYS 108 HB2 LYS 108 1.913 -6.259 8.147 869 HB3 LYS 108 HB3 LYS 108 1.250 -7.739 7.477 870 HG2 LYS 108 HG2 LYS 108 2.670 -7.858 10.088 871 HG3 LYS 108 HG3 LYS 108 1.045 -7.184 10.032 872 HD2 LYS 108 HD2 LYS 108 0.820 -9.489 10.557 873 HD3 LYS 108 HD3 LYS 108 0.316 -9.298 8.880 874 HE2 LYS 108 HE2 LYS 108 2.335 -10.246 8.080 875 HE3 LYS 108 HE3 LYS 108 3.097 -10.158 9.669 876 HZ1 LYS 108 HZ1 LYS 108 1.487 -11.797 10.458 877 HZ2 LYS 108 HZ2 LYS 108 2.389 -12.403 9.162 878 HZ3 LYS 108 HZ3 LYS 108 0.799 -11.886 8.914 879 H ARG 109 H ARG 109 4.289 -8.812 5.524 880 HA ARG 109 HA ARG 109 4.073 -6.404 3.858 881 HB2 ARG 109 HB2 ARG 109 6.418 -7.401 4.917 882 HB3 ARG 109 HB3 ARG 109 6.360 -8.141 3.326 883 HG2 ARG 109 HG2 ARG 109 6.656 -6.186 2.237 884 HG3 ARG 109 HG3 ARG 109 5.830 -5.240 3.480 885 HD2 ARG 109 HD2 ARG 109 8.263 -4.792 3.352 886 HD3 ARG 109 HD3 ARG 109 7.748 -5.373 4.928 887 HE ARG 109 HE ARG 109 8.723 -7.441 3.180 888 HH11 ARG 109 HH11 ARG 109 9.598 -5.067 5.611 889 HH12 ARG 109 HH12 ARG 109 11.142 -5.797 5.960 890 HH21 ARG 109 HH21 ARG 109 10.782 -8.393 3.650 891 HH22 ARG 109 HH22 ARG 109 11.820 -7.650 4.839 892 H SER 110 H SER 110 2.984 -6.831 2.055 893 HA SER 110 HA SER 110 2.479 -9.614 1.380 894 HB2 SER 110 HB2 SER 110 0.607 -8.804 0.049 895 HB3 SER 110 HB3 SER 110 0.524 -8.147 1.679 896 HG SER 110 HG SER 110 0.687 -6.862 -0.673 897 H ARG 111 H ARG 111 2.266 -10.092 -1.028 898 HA ARG 111 HA ARG 111 4.862 -10.010 -2.034 899 HB2 ARG 111 HB2 ARG 111 2.393 -10.500 -3.700 900 HB3 ARG 111 HB3 ARG 111 4.019 -11.083 -4.013 901 HG2 ARG 111 HG2 ARG 111 2.240 -11.930 -1.739 902 HG3 ARG 111 HG3 ARG 111 2.590 -12.859 -3.190 903 HD2 ARG 111 HD2 ARG 111 4.712 -11.953 -1.262 904 HD3 ARG 111 HD3 ARG 111 3.878 -13.495 -1.112 905 HE ARG 111 HE ARG 111 5.732 -12.725 -3.253 906 HH11 ARG 111 HH11 ARG 111 3.795 -15.154 -1.649 907 HH12 ARG 111 HH12 ARG 111 4.643 -16.488 -2.364 908 HH21 ARG 111 HH21 ARG 111 6.829 -14.495 -4.233 909 HH22 ARG 111 HH22 ARG 111 6.384 -16.119 -3.815 910 H ALA 112 H ALA 112 2.016 -8.154 -3.050 911 HA ALA 112 HA ALA 112 3.131 -6.961 -5.306 912 HB1 ALA 112 HB1 ALA 112 1.287 -5.410 -5.232 913 HB2 ALA 112 HB2 ALA 112 0.984 -5.808 -3.540 914 HB3 ALA 112 HB3 ALA 112 0.724 -7.023 -4.790 915 H ARG 113 H ARG 113 3.295 -5.918 -1.924 916 HA ARG 113 HA ARG 113 4.458 -3.387 -2.750 917 HB2 ARG 113 HB2 ARG 113 4.642 -3.071 -0.170 918 HB3 ARG 113 HB3 ARG 113 3.080 -2.955 -0.965 919 HG2 ARG 113 HG2 ARG 113 2.612 -5.288 -0.318 920 HG3 ARG 113 HG3 ARG 113 4.144 -5.322 0.559 921 HD2 ARG 113 HD2 ARG 113 3.406 -3.752 2.136 922 HD3 ARG 113 HD3 ARG 113 2.076 -3.215 1.111 923 HE ARG 113 HE ARG 113 1.332 -5.710 1.542 924 HH11 ARG 113 HH11 ARG 113 2.615 -3.361 3.806 925 HH12 ARG 113 HH12 ARG 113 1.809 -4.045 5.174 926 HH21 ARG 113 HH21 ARG 113 0.244 -6.598 3.350 927 HH22 ARG 113 HH22 ARG 113 0.446 -5.878 4.911 928 H ILE 114 H ILE 114 5.534 -6.481 -1.736 929 HA ILE 114 HA ILE 114 8.171 -5.650 -0.991 930 HB ILE 114 HB ILE 114 7.114 -8.348 -1.846 931 HG12 ILE 114 HG12 ILE 114 7.939 -7.321 0.875 932 HG13 ILE 114 HG13 ILE 114 6.274 -7.450 0.318 933 HG21 ILE 114 HG21 ILE 114 9.231 -9.260 -0.973 934 HG22 ILE 114 HG22 ILE 114 9.835 -7.615 -0.781 935 HG23 ILE 114 HG23 ILE 114 9.462 -8.235 -2.391 936 HD11 ILE 114 HD11 ILE 114 8.201 -9.733 0.701 937 HD12 ILE 114 HD12 ILE 114 6.546 -9.877 0.110 938 HD13 ILE 114 HD13 ILE 114 6.851 -9.315 1.753 939 H VAL 115 H VAL 115 6.653 -6.937 -3.925 940 HA VAL 115 HA VAL 115 9.043 -7.051 -5.429 941 HB VAL 115 HB VAL 115 7.682 -7.393 -7.374 942 HG11 VAL 115 HG11 VAL 115 6.367 -9.294 -6.695 943 HG12 VAL 115 HG12 VAL 115 6.337 -8.716 -5.031 944 HG13 VAL 115 HG13 VAL 115 7.858 -9.239 -5.755 945 HG21 VAL 115 HG21 VAL 115 6.039 -5.627 -7.063 946 HG22 VAL 115 HG22 VAL 115 5.325 -6.510 -5.714 947 HG23 VAL 115 HG23 VAL 115 5.239 -7.171 -7.346 948 H ASP 116 H ASP 116 6.654 -4.541 -4.905 949 HA ASP 116 HA ASP 116 7.524 -2.775 -6.939 950 HB2 ASP 116 HB2 ASP 116 5.322 -2.659 -5.719 951 HB3 ASP 116 HB3 ASP 116 6.198 -2.043 -4.324 952 H LYS 117 H LYS 117 8.555 -3.405 -3.655 953 HA LYS 117 HA LYS 117 10.258 -1.146 -3.403 954 HB2 LYS 117 HB2 LYS 117 9.390 -2.539 -1.500 955 HB3 LYS 117 HB3 LYS 117 10.522 -3.796 -1.977 956 HG2 LYS 117 HG2 LYS 117 11.417 -2.511 -0.139 957 HG3 LYS 117 HG3 LYS 117 12.387 -2.255 -1.591 958 HD2 LYS 117 HD2 LYS 117 11.291 -0.134 -1.992 959 HD3 LYS 117 HD3 LYS 117 10.221 -0.397 -0.615 960 HE2 LYS 117 HE2 LYS 117 12.144 -0.358 0.887 961 HE3 LYS 117 HE3 LYS 117 13.221 -0.118 -0.486 962 HZ1 LYS 117 HZ1 LYS 117 12.124 1.980 -0.941 963 HZ2 LYS 117 HZ2 LYS 117 12.732 1.970 0.636 964 HZ3 LYS 117 HZ3 LYS 117 11.077 1.753 0.363 965 H LEU 118 H LEU 118 10.792 -4.494 -4.487 966 HA LEU 118 HA LEU 118 13.572 -4.412 -4.793 967 HB2 LEU 118 HB2 LEU 118 11.637 -5.778 -6.656 968 HB3 LEU 118 HB3 LEU 118 13.344 -6.118 -6.508 969 HG LEU 118 HG LEU 118 11.136 -6.806 -4.598 970 HD11 LEU 118 HD11 LEU 118 12.067 -9.050 -4.951 971 HD12 LEU 118 HD12 LEU 118 13.277 -8.361 -6.043 972 HD13 LEU 118 HD13 LEU 118 11.565 -8.293 -6.465 973 HD21 LEU 118 HD21 LEU 118 13.021 -5.870 -3.299 974 HD22 LEU 118 HD22 LEU 118 14.103 -7.024 -4.078 975 HD23 LEU 118 HD23 LEU 118 12.806 -7.599 -3.032 976 H LEU 119 H LEU 119 11.019 -3.601 -7.060 977 HA LEU 119 HA LEU 119 12.622 -2.912 -9.249 978 HB2 LEU 119 HB2 LEU 119 9.826 -2.316 -8.379 979 HB3 LEU 119 HB3 LEU 119 10.490 -1.452 -9.757 980 HG LEU 119 HG LEU 119 9.147 -3.430 -10.416 981 HD11 LEU 119 HD11 LEU 119 12.068 -3.610 -11.120 982 HD12 LEU 119 HD12 LEU 119 10.885 -2.541 -11.873 983 HD13 LEU 119 HD13 LEU 119 10.727 -4.289 -12.043 984 HD21 LEU 119 HD21 LEU 119 11.321 -4.975 -8.997 985 HD22 LEU 119 HD22 LEU 119 10.198 -5.692 -10.151 986 HD23 LEU 119 HD23 LEU 119 9.592 -4.991 -8.649 987 H ALA 120 H ALA 120 11.652 -1.154 -6.428 988 HA ALA 120 HA ALA 120 12.309 1.441 -7.394 989 HB1 ALA 120 HB1 ALA 120 10.712 0.963 -5.566 990 HB2 ALA 120 HB2 ALA 120 11.938 2.159 -5.134 991 HB3 ALA 120 HB3 ALA 120 12.073 0.502 -4.545 992 H LEU 121 H LEU 121 13.988 -0.995 -5.457 993 HA LEU 121 HA LEU 121 16.384 0.534 -5.144 994 HB2 LEU 121 HB2 LEU 121 15.603 -2.319 -4.716 995 HB3 LEU 121 HB3 LEU 121 17.297 -1.883 -4.707 996 HG LEU 121 HG LEU 121 16.943 -0.404 -2.821 997 HD11 LEU 121 HD11 LEU 121 14.812 -0.277 -1.671 998 HD12 LEU 121 HD12 LEU 121 14.066 -1.288 -2.909 999 HD13 LEU 121 HD13 LEU 121 14.661 0.320 -3.322 1000 HD21 LEU 121 HD21 LEU 121 15.773 -3.154 -2.482 1001 HD22 LEU 121 HD22 LEU 121 16.353 -2.131 -1.163 1002 HD23 LEU 121 HD23 LEU 121 17.478 -2.712 -2.394 1003 H GLY 122 H GLY 122 15.066 -1.478 -7.597 1004 HA2 GLY 122 HA2 GLY 122 15.865 -1.873 -9.743 1005 HA3 GLY 122 HA3 GLY 122 17.391 -1.120 -9.290 1006 H LEU 123 H LEU 123 15.843 -3.675 -7.447 1007 HA LEU 123 HA LEU 123 18.214 -5.294 -7.613 1008 HB2 LEU 123 HB2 LEU 123 15.531 -5.748 -6.320 1009 HB3 LEU 123 HB3 LEU 123 16.858 -6.894 -6.229 1010 HG LEU 123 HG LEU 123 16.932 -4.065 -5.172 1011 HD11 LEU 123 HD11 LEU 123 16.614 -6.699 -3.744 1012 HD12 LEU 123 HD12 LEU 123 15.438 -5.387 -3.832 1013 HD13 LEU 123 HD13 LEU 123 16.950 -5.158 -2.956 1014 HD21 LEU 123 HD21 LEU 123 18.917 -6.325 -4.938 1015 HD22 LEU 123 HD22 LEU 123 19.025 -4.775 -4.105 1016 HD23 LEU 123 HD23 LEU 123 19.126 -4.837 -5.864 1017 H VAL 124 H VAL 124 15.106 -5.116 -9.031 1018 HA VAL 124 HA VAL 124 15.912 -7.036 -11.084 1019 HB VAL 124 HB VAL 124 13.625 -8.018 -11.126 1020 HG11 VAL 124 HG11 VAL 124 15.117 -8.427 -8.536 1021 HG12 VAL 124 HG12 VAL 124 15.463 -9.231 -10.066 1022 HG13 VAL 124 HG13 VAL 124 13.936 -9.533 -9.237 1023 HG21 VAL 124 HG21 VAL 124 12.460 -6.228 -9.979 1024 HG22 VAL 124 HG22 VAL 124 13.337 -6.583 -8.495 1025 HG23 VAL 124 HG23 VAL 124 12.201 -7.756 -9.149 1026 H ALA 125 H ALA 125 14.265 -6.944 -12.912 1027 HA ALA 125 HA ALA 125 13.433 -4.133 -13.300 1028 HB1 ALA 125 HB1 ALA 125 13.756 -4.486 -15.679 1029 HB2 ALA 125 HB2 ALA 125 14.167 -6.178 -15.390 1030 HB3 ALA 125 HB3 ALA 125 15.228 -4.899 -14.797 1031 H GLU 126 H GLU 126 12.301 -7.256 -12.869 1032 HA GLU 126 HA GLU 126 9.605 -6.458 -13.521 1033 HB2 GLU 126 HB2 GLU 126 9.190 -8.440 -14.939 1034 HB3 GLU 126 HB3 GLU 126 10.337 -7.321 -15.665 1035 HG2 GLU 126 HG2 GLU 126 12.180 -8.757 -14.839 1036 HG3 GLU 126 HG3 GLU 126 10.974 -9.909 -14.273 1037 H ARG 127 H ARG 127 8.064 -8.288 -12.934 1038 HA ARG 127 HA ARG 127 8.782 -9.050 -10.255 1039 HB2 ARG 127 HB2 ARG 127 6.282 -8.878 -11.820 1040 HB3 ARG 127 HB3 ARG 127 6.309 -10.070 -10.528 1041 HG2 ARG 127 HG2 ARG 127 5.394 -7.964 -9.753 1042 HG3 ARG 127 HG3 ARG 127 6.901 -8.340 -8.926 1043 HD2 ARG 127 HD2 ARG 127 6.873 -6.003 -9.483 1044 HD3 ARG 127 HD3 ARG 127 8.080 -6.815 -10.478 1045 HE ARG 127 HE ARG 127 5.827 -6.810 -12.018 1046 HH11 ARG 127 HH11 ARG 127 7.614 -4.316 -10.346 1047 HH12 ARG 127 HH12 ARG 127 7.274 -3.092 -11.523 1048 HH21 ARG 127 HH21 ARG 127 5.364 -5.209 -13.574 1049 HH22 ARG 127 HH22 ARG 127 5.988 -3.605 -13.372 1050 H ARG 128 H ARG 128 8.541 -10.665 -13.307 1051 HA ARG 128 HA ARG 128 7.999 -13.267 -12.436 1052 HB2 ARG 128 HB2 ARG 128 7.787 -13.028 -14.715 1053 HB3 ARG 128 HB3 ARG 128 9.271 -12.098 -14.866 1054 HG2 ARG 128 HG2 ARG 128 10.591 -14.110 -14.534 1055 HG3 ARG 128 HG3 ARG 128 9.119 -15.054 -14.306 1056 HD2 ARG 128 HD2 ARG 128 10.251 -15.125 -16.592 1057 HD3 ARG 128 HD3 ARG 128 8.509 -14.859 -16.549 1058 HE ARG 128 HE ARG 128 10.043 -12.424 -16.600 1059 HH11 ARG 128 HH11 ARG 128 8.717 -14.984 -18.609 1060 HH12 ARG 128 HH12 ARG 128 8.551 -13.969 -20.005 1061 HH21 ARG 128 HH21 ARG 128 9.825 -11.109 -18.397 1062 HH22 ARG 128 HH22 ARG 128 9.207 -11.753 -19.895 1063 H GLU 129 H GLU 129 11.054 -11.535 -12.602 1064 HA GLU 129 HA GLU 129 12.677 -13.859 -12.514 1065 HB2 GLU 129 HB2 GLU 129 13.338 -10.965 -11.996 1066 HB3 GLU 129 HB3 GLU 129 14.527 -12.248 -12.203 1067 HG2 GLU 129 HG2 GLU 129 12.494 -11.355 -14.236 1068 HG3 GLU 129 HG3 GLU 129 14.228 -11.019 -14.274 1069 H LEU 130 H LEU 130 10.896 -12.423 -10.099 1070 HA LEU 130 HA LEU 130 12.726 -13.365 -8.009 1071 HB2 LEU 130 HB2 LEU 130 10.718 -12.173 -6.634 1072 HB3 LEU 130 HB3 LEU 130 12.194 -11.373 -7.134 1073 HG LEU 130 HG LEU 130 9.894 -11.354 -9.022 1074 HD11 LEU 130 HD11 LEU 130 9.047 -9.313 -7.928 1075 HD12 LEU 130 HD12 LEU 130 10.095 -9.657 -6.550 1076 HD13 LEU 130 HD13 LEU 130 8.800 -10.777 -6.978 1077 HD21 LEU 130 HD21 LEU 130 10.799 -9.069 -9.435 1078 HD22 LEU 130 HD22 LEU 130 11.943 -10.370 -9.772 1079 HD23 LEU 130 HD23 LEU 130 12.090 -9.428 -8.283 1080 H TYR 131 H TYR 131 10.679 -14.796 -9.837 1081 HA TYR 131 HA TYR 131 9.576 -16.447 -7.657 1082 HB2 TYR 131 HB2 TYR 131 8.426 -15.975 -10.421 1083 HB3 TYR 131 HB3 TYR 131 7.833 -17.185 -9.295 1084 HD1 TYR 131 HD1 TYR 131 6.711 -16.464 -7.187 1085 HD2 TYR 131 HD2 TYR 131 7.797 -13.687 -10.226 1086 HE1 TYR 131 HE1 TYR 131 5.148 -14.818 -6.238 1087 HE2 TYR 131 HE2 TYR 131 6.246 -12.036 -9.279 1088 HH TYR 131 HH TYR 131 4.154 -12.081 -7.902 1089 H LYS 132 H LYS 132 10.599 -18.355 -7.547 1090 HA LYS 132 HA LYS 132 12.382 -19.156 -9.642 1091 HB2 LYS 132 HB2 LYS 132 12.177 -19.654 -6.903 1092 HB3 LYS 132 HB3 LYS 132 11.877 -21.211 -7.663 1093 HG2 LYS 132 HG2 LYS 132 14.278 -19.462 -8.146 1094 HG3 LYS 132 HG3 LYS 132 14.234 -20.892 -7.115 1095 HD2 LYS 132 HD2 LYS 132 13.738 -22.296 -9.016 1096 HD3 LYS 132 HD3 LYS 132 13.635 -20.885 -10.071 1097 HE2 LYS 132 HE2 LYS 132 16.093 -21.811 -8.589 1098 HE3 LYS 132 HE3 LYS 132 15.782 -22.033 -10.311 1099 HZ1 LYS 132 HZ1 LYS 132 16.075 -19.424 -8.921 1100 HZ2 LYS 132 HZ2 LYS 132 15.752 -19.626 -10.568 1101 HZ3 LYS 132 HZ3 LYS 132 17.224 -20.149 -9.926 1102 H LYS 133 H LYS 133 11.325 -19.717 -11.459 1103 HA LYS 133 HA LYS 133 9.653 -22.130 -11.333 1104 HB2 LYS 133 HB2 LYS 133 9.029 -19.638 -12.937 1105 HB3 LYS 133 HB3 LYS 133 8.152 -21.157 -13.047 1106 HG2 LYS 133 HG2 LYS 133 7.353 -20.933 -10.798 1107 HG3 LYS 133 HG3 LYS 133 8.366 -19.513 -10.535 1108 HD2 LYS 133 HD2 LYS 133 6.080 -18.827 -10.933 1109 HD3 LYS 133 HD3 LYS 133 7.095 -18.318 -12.282 1110 HE2 LYS 133 HE2 LYS 133 6.309 -20.192 -13.612 1111 HE3 LYS 133 HE3 LYS 133 5.353 -20.781 -12.253 1112 HZ1 LYS 133 HZ1 LYS 133 4.015 -19.558 -13.864 1113 HZ2 LYS 133 HZ2 LYS 133 4.953 -18.176 -13.615 1114 HZ3 LYS 133 HZ3 LYS 133 4.013 -18.793 -12.355 1115 H ARG 134 H ARG 134 9.389 -23.062 -13.594 1116 HA ARG 134 HA ARG 134 11.918 -23.025 -14.988 1117 HB2 ARG 134 HB2 ARG 134 9.370 -24.395 -15.865 1118 HB3 ARG 134 HB3 ARG 134 11.012 -24.764 -16.376 1119 HG2 ARG 134 HG2 ARG 134 9.874 -25.176 -13.626 1120 HG3 ARG 134 HG3 ARG 134 10.188 -26.429 -14.825 1121 HD2 ARG 134 HD2 ARG 134 12.541 -26.079 -14.681 1122 HD3 ARG 134 HD3 ARG 134 12.324 -24.622 -13.710 1123 HE ARG 134 HE ARG 134 11.249 -27.049 -12.560 1124 HH11 ARG 134 HH11 ARG 134 14.053 -24.961 -12.786 1125 HH12 ARG 134 HH12 ARG 134 14.672 -25.422 -11.232 1126 HH21 ARG 134 HH21 ARG 134 12.062 -27.645 -10.520 1127 HH22 ARG 134 HH22 ARG 134 13.534 -26.932 -9.941 1128 H GLN 135 H GLN 135 12.085 -20.957 -15.740 1129 HA GLN 135 HA GLN 135 9.961 -19.988 -17.521 1130 HB2 GLN 135 HB2 GLN 135 10.765 -17.709 -16.935 1131 HB3 GLN 135 HB3 GLN 135 10.151 -18.605 -15.555 1132 HG2 GLN 135 HG2 GLN 135 12.673 -19.246 -15.237 1133 HG3 GLN 135 HG3 GLN 135 12.943 -17.799 -16.201 1134 HE21 GLN 135 HE21 GLN 135 12.490 -15.782 -15.316 1135 HE22 GLN 135 HE22 GLN 135 12.133 -15.571 -13.641 1136 H LYS 136 H LYS 136 10.462 -19.135 -19.474 1137 HA LYS 136 HA LYS 136 13.235 -19.480 -20.355 1138 HB2 LYS 136 HB2 LYS 136 12.211 -19.345 -22.699 1139 HB3 LYS 136 HB3 LYS 136 11.945 -20.816 -21.784 1140 HG2 LYS 136 HG2 LYS 136 9.887 -18.672 -21.675 1141 HG3 LYS 136 HG3 LYS 136 10.011 -19.675 -23.118 1142 HD2 LYS 136 HD2 LYS 136 9.816 -21.685 -21.684 1143 HD3 LYS 136 HD3 LYS 136 9.559 -20.635 -20.292 1144 HE2 LYS 136 HE2 LYS 136 7.423 -21.373 -21.087 1145 HE3 LYS 136 HE3 LYS 136 7.597 -19.661 -21.467 1146 HZ1 LYS 136 HZ1 LYS 136 7.952 -21.930 -23.352 1147 HZ2 LYS 136 HZ2 LYS 136 8.260 -20.313 -23.733 1148 HZ3 LYS 136 HZ3 LYS 136 6.691 -20.804 -23.351 1149 H LYS 137 H LYS 137 14.166 -17.663 -19.867 1150 HA LYS 137 HA LYS 137 13.226 -15.164 -21.002 1151 HB2 LYS 137 HB2 LYS 137 12.083 -15.174 -18.858 1152 HB3 LYS 137 HB3 LYS 137 13.560 -15.633 -18.027 1153 HG2 LYS 137 HG2 LYS 137 13.229 -13.341 -17.590 1154 HG3 LYS 137 HG3 LYS 137 14.537 -13.427 -18.775 1155 HD2 LYS 137 HD2 LYS 137 12.863 -12.989 -20.557 1156 HD3 LYS 137 HD3 LYS 137 11.645 -12.753 -19.302 1157 HE2 LYS 137 HE2 LYS 137 12.958 -10.929 -18.358 1158 HE3 LYS 137 HE3 LYS 137 14.197 -11.174 -19.588 1159 HZ1 LYS 137 HZ1 LYS 137 11.404 -10.296 -20.043 1160 HZ2 LYS 137 HZ2 LYS 137 12.494 -10.663 -21.277 1161 HZ3 LYS 137 HZ3 LYS 137 12.800 -9.368 -20.236 1162 H LEU 138 H LEU 138 14.897 -13.680 -21.262 1163 HA LEU 138 HA LEU 138 17.575 -14.217 -21.304 1164 HB2 LEU 138 HB2 LEU 138 16.651 -12.143 -22.109 1165 HB3 LEU 138 HB3 LEU 138 16.083 -11.713 -20.511 1166 HG LEU 138 HG LEU 138 18.590 -11.683 -19.877 1167 HD11 LEU 138 HD11 LEU 138 19.460 -12.702 -21.898 1168 HD12 LEU 138 HD12 LEU 138 20.064 -11.053 -21.733 1169 HD13 LEU 138 HD13 LEU 138 18.765 -11.405 -22.872 1170 HD21 LEU 138 HD21 LEU 138 18.702 -9.352 -20.472 1171 HD22 LEU 138 HD22 LEU 138 17.060 -9.769 -19.969 1172 HD23 LEU 138 HD23 LEU 138 17.439 -9.572 -21.683 1173 H ALA 139 H ALA 139 19.311 -13.514 -19.702 1174 HA ALA 139 HA ALA 139 18.957 -14.811 -17.242 1175 HB1 ALA 139 HB1 ALA 139 21.113 -13.882 -16.611 1176 HB2 ALA 139 HB2 ALA 139 21.017 -12.718 -17.930 1177 HB3 ALA 139 HB3 ALA 139 21.158 -14.439 -18.284 1178 H SER 140 H SER 140 18.757 -13.971 -15.119 1179 HA SER 140 HA SER 140 16.487 -12.485 -14.900 1180 HB2 SER 140 HB2 SER 140 18.619 -13.005 -12.833 1181 HB3 SER 140 HB3 SER 140 17.035 -12.314 -12.458 1182 HG SER 140 HG SER 140 16.194 -14.245 -13.632 1183 H SER 141 H SER 141 15.997 -10.512 -15.217 1184 HA SER 141 HA SER 141 18.063 -8.464 -15.269 1185 HB2 SER 141 HB2 SER 141 16.491 -8.867 -17.215 1186 HB3 SER 141 HB3 SER 141 15.186 -8.269 -16.193 1187 HG SER 141 HG SER 141 17.411 -6.639 -16.329 Start of MODEL 4 1 H1 ASP 1 HT1 ASP 1 -33.907 12.888 -9.290 2 H2 ASP 1 HT2 ASP 1 -33.223 13.306 -7.806 3 H3 ASP 1 HT3 ASP 1 -34.251 11.971 -7.914 4 HA ASP 1 HA ASP 1 -32.684 10.824 -9.313 5 HB2 ASP 1 HB2 ASP 1 -31.710 12.873 -10.329 6 HB3 ASP 1 HB3 ASP 1 -30.903 13.216 -8.804 7 HA PRO 2 HA PRO 2 -31.527 9.520 -5.191 8 HB2 PRO 2 HB2 PRO 2 -30.869 6.981 -5.810 9 HB3 PRO 2 HB3 PRO 2 -32.550 7.524 -5.750 10 HG2 PRO 2 HG2 PRO 2 -30.778 7.096 -8.119 11 HG3 PRO 2 HG3 PRO 2 -32.496 6.708 -7.920 12 HD2 PRO 2 HD2 PRO 2 -31.551 8.926 -9.239 13 HD3 PRO 2 HD3 PRO 2 -33.155 8.823 -8.490 14 H SER 3 H SER 3 -29.545 9.263 -8.042 15 HA SER 3 HA SER 3 -27.146 8.547 -6.591 16 HB2 SER 3 HB2 SER 3 -26.157 8.642 -8.924 17 HB3 SER 3 HB3 SER 3 -27.427 7.449 -8.667 18 HG SER 3 HG SER 3 -28.276 9.963 -9.502 19 H ARG 4 H ARG 4 -28.027 10.934 -5.701 20 HA ARG 4 HA ARG 4 -26.698 13.087 -7.113 21 HB2 ARG 4 HB2 ARG 4 -27.617 14.492 -5.286 22 HB3 ARG 4 HB3 ARG 4 -28.854 13.547 -6.103 23 HG2 ARG 4 HG2 ARG 4 -28.791 11.913 -4.277 24 HG3 ARG 4 HG3 ARG 4 -27.583 12.899 -3.451 25 HD2 ARG 4 HD2 ARG 4 -30.413 13.701 -4.128 26 HD3 ARG 4 HD3 ARG 4 -29.781 13.336 -2.525 27 HE ARG 4 HE ARG 4 -28.217 15.393 -3.472 28 HH11 ARG 4 HH11 ARG 4 -31.613 14.887 -2.803 29 HH12 ARG 4 HH12 ARG 4 -31.947 16.567 -2.537 30 HH21 ARG 4 HH21 ARG 4 -28.633 17.607 -3.089 31 HH22 ARG 4 HH22 ARG 4 -30.237 18.121 -2.665 32 H ARG 5 H ARG 5 -25.785 14.639 -5.005 33 HA ARG 5 HA ARG 5 -23.181 13.889 -4.647 34 HB2 ARG 5 HB2 ARG 5 -24.454 16.086 -4.035 35 HB3 ARG 5 HB3 ARG 5 -24.629 15.346 -2.456 36 HG2 ARG 5 HG2 ARG 5 -21.973 15.782 -3.801 37 HG3 ARG 5 HG3 ARG 5 -22.715 16.933 -2.692 38 HD2 ARG 5 HD2 ARG 5 -22.658 15.315 -0.909 39 HD3 ARG 5 HD3 ARG 5 -22.054 14.075 -2.010 40 HE ARG 5 HE ARG 5 -20.482 16.510 -1.548 41 HH11 ARG 5 HH11 ARG 5 -20.882 13.064 -1.135 42 HH12 ARG 5 HH12 ARG 5 -19.196 12.766 -0.848 43 HH21 ARG 5 HH21 ARG 5 -18.250 16.131 -1.119 44 HH22 ARG 5 HH22 ARG 5 -17.704 14.511 -0.827 45 H ALA 6 H ALA 6 -22.266 12.216 -3.690 46 HA ALA 6 HA ALA 6 -23.584 10.228 -2.336 47 HB1 ALA 6 HB1 ALA 6 -21.392 9.399 -1.646 48 HB2 ALA 6 HB2 ALA 6 -20.669 10.942 -2.101 49 HB3 ALA 6 HB3 ALA 6 -21.392 9.910 -3.336 50 HA PRO 7 HA PRO 7 -24.449 11.953 1.657 51 HB2 PRO 7 HB2 PRO 7 -24.588 9.117 2.478 52 HB3 PRO 7 HB3 PRO 7 -25.818 10.380 2.588 53 HG2 PRO 7 HG2 PRO 7 -26.020 8.414 0.800 54 HG3 PRO 7 HG3 PRO 7 -26.515 10.071 0.404 55 HD2 PRO 7 HD2 PRO 7 -24.020 8.604 -0.353 56 HD3 PRO 7 HD3 PRO 7 -25.026 9.706 -1.319 57 H THR 8 H THR 8 -23.752 11.575 3.960 58 HA THR 8 HA THR 8 -20.909 10.937 4.068 59 HB THR 8 HB THR 8 -21.418 11.800 6.548 60 HG1 THR 8 HG1 THR 8 -23.403 12.528 6.670 61 HG21 THR 8 HG21 THR 8 -20.825 14.067 5.781 62 HG22 THR 8 HG22 THR 8 -21.150 13.575 4.119 63 HG23 THR 8 HG23 THR 8 -19.830 12.828 5.018 64 H TRP 9 H TRP 9 -20.109 9.590 5.862 65 HA TRP 9 HA TRP 9 -21.899 7.323 6.269 66 HB2 TRP 9 HB2 TRP 9 -18.939 7.659 6.765 67 HB3 TRP 9 HB3 TRP 9 -19.839 6.205 7.183 68 HD1 TRP 9 HD1 TRP 9 -18.471 8.130 4.201 69 HE1 TRP 9 HE1 TRP 9 -18.502 6.605 2.139 70 HE3 TRP 9 HE3 TRP 9 -21.084 4.182 6.147 71 HZ2 TRP 9 HZ2 TRP 9 -19.495 4.059 1.426 72 HZ3 TRP 9 HZ3 TRP 9 -21.538 2.242 4.689 73 HH2 TRP 9 HH2 TRP 9 -20.760 2.192 2.382 74 H SER 10 H SER 10 -21.851 6.249 8.377 75 HA SER 10 HA SER 10 -21.329 7.994 10.659 76 HB2 SER 10 HB2 SER 10 -23.503 7.195 11.666 77 HB3 SER 10 HB3 SER 10 -23.712 8.252 10.270 78 HG SER 10 HG SER 10 -24.653 6.675 9.254 79 HA PRO 11 HA PRO 11 -19.254 4.558 12.545 80 HB2 PRO 11 HB2 PRO 11 -21.308 4.896 14.705 81 HB3 PRO 11 HB3 PRO 11 -19.560 4.664 14.845 82 HG2 PRO 11 HG2 PRO 11 -20.634 7.090 15.105 83 HG3 PRO 11 HG3 PRO 11 -19.087 6.859 14.271 84 HD2 PRO 11 HD2 PRO 11 -21.749 7.514 13.154 85 HD3 PRO 11 HD3 PRO 11 -20.135 7.867 12.510 86 H GLU 12 H GLU 12 -22.807 4.457 12.828 87 HA GLU 12 HA GLU 12 -22.976 1.652 13.140 88 HB2 GLU 12 HB2 GLU 12 -25.376 1.938 12.616 89 HB3 GLU 12 HB3 GLU 12 -24.813 3.078 13.829 90 HG2 GLU 12 HG2 GLU 12 -24.791 4.861 12.245 91 HG3 GLU 12 HG3 GLU 12 -25.084 3.749 10.911 92 H GLU 13 H GLU 13 -23.132 3.749 10.291 93 HA GLU 13 HA GLU 13 -23.862 1.600 8.532 94 HB2 GLU 13 HB2 GLU 13 -24.448 4.055 8.227 95 HB3 GLU 13 HB3 GLU 13 -22.782 4.294 7.723 96 HG2 GLU 13 HG2 GLU 13 -24.157 4.073 5.781 97 HG3 GLU 13 HG3 GLU 13 -23.135 2.641 5.914 98 H GLU 14 H GLU 14 -20.892 3.206 9.494 99 HA GLU 14 HA GLU 14 -19.214 2.046 7.515 100 HB2 GLU 14 HB2 GLU 14 -18.519 2.983 10.307 101 HB3 GLU 14 HB3 GLU 14 -17.362 2.639 9.029 102 HG2 GLU 14 HG2 GLU 14 -18.334 4.439 7.683 103 HG3 GLU 14 HG3 GLU 14 -19.460 4.793 8.993 104 H ALA 15 H ALA 15 -20.243 1.038 10.738 105 HA ALA 15 HA ALA 15 -18.720 -1.334 10.867 106 HB1 ALA 15 HB1 ALA 15 -20.317 -2.041 12.583 107 HB2 ALA 15 HB2 ALA 15 -21.386 -0.711 12.135 108 HB3 ALA 15 HB3 ALA 15 -19.799 -0.375 12.827 109 H HIS 16 H HIS 16 -21.672 -0.487 9.287 110 HA HIS 16 HA HIS 16 -22.479 -3.142 8.612 111 HB2 HIS 16 HB2 HIS 16 -24.118 -1.316 8.838 112 HB3 HIS 16 HB3 HIS 16 -23.369 -0.479 7.484 113 HD1 HIS 16 HD1 HIS 16 -25.247 -0.537 5.853 114 HD2 HIS 16 HD2 HIS 16 -24.376 -4.290 7.421 115 HE1 HIS 16 HE1 HIS 16 -26.628 -2.182 4.525 116 HE2 HIS 16 HE2 HIS 16 -26.239 -4.406 5.634 117 H LEU 17 H LEU 17 -20.537 -0.623 7.174 118 HA LEU 17 HA LEU 17 -20.352 -1.647 4.563 119 HB2 LEU 17 HB2 LEU 17 -19.591 0.614 5.302 120 HB3 LEU 17 HB3 LEU 17 -18.240 -0.144 6.122 121 HG LEU 17 HG LEU 17 -17.435 -0.993 3.930 122 HD11 LEU 17 HD11 LEU 17 -19.713 0.666 2.874 123 HD12 LEU 17 HD12 LEU 17 -19.487 -1.073 2.695 124 HD13 LEU 17 HD13 LEU 17 -18.389 0.047 1.892 125 HD21 LEU 17 HD21 LEU 17 -16.553 1.074 4.885 126 HD22 LEU 17 HD22 LEU 17 -17.825 1.993 4.080 127 HD23 LEU 17 HD23 LEU 17 -16.607 1.148 3.124 128 H ARG 18 H ARG 18 -18.338 -2.137 7.440 129 HA ARG 18 HA ARG 18 -16.792 -4.176 6.160 130 HB2 ARG 18 HB2 ARG 18 -15.756 -4.505 8.350 131 HB3 ARG 18 HB3 ARG 18 -15.774 -2.807 7.904 132 HG2 ARG 18 HG2 ARG 18 -17.752 -2.498 9.365 133 HG3 ARG 18 HG3 ARG 18 -17.579 -4.178 9.882 134 HD2 ARG 18 HD2 ARG 18 -15.321 -3.693 10.691 135 HD3 ARG 18 HD3 ARG 18 -15.496 -2.019 10.178 136 HE ARG 18 HE ARG 18 -17.212 -3.230 12.250 137 HH11 ARG 18 HH11 ARG 18 -15.224 -0.601 11.057 138 HH12 ARG 18 HH12 ARG 18 -15.448 0.377 12.471 139 HH21 ARG 18 HH21 ARG 18 -17.482 -1.953 14.125 140 HH22 ARG 18 HH22 ARG 18 -16.727 -0.396 14.224 141 H GLU 19 H GLU 19 -19.701 -3.982 7.996 142 HA GLU 19 HA GLU 19 -19.994 -6.519 9.000 143 HB2 GLU 19 HB2 GLU 19 -21.631 -4.770 9.397 144 HB3 GLU 19 HB3 GLU 19 -22.085 -4.783 7.700 145 HG2 GLU 19 HG2 GLU 19 -23.738 -5.923 9.026 146 HG3 GLU 19 HG3 GLU 19 -22.931 -7.051 7.938 147 H LEU 20 H LEU 20 -20.916 -5.334 5.806 148 HA LEU 20 HA LEU 20 -21.673 -7.883 4.799 149 HB2 LEU 20 HB2 LEU 20 -21.873 -5.183 4.030 150 HB3 LEU 20 HB3 LEU 20 -21.006 -5.991 2.741 151 HG LEU 20 HG LEU 20 -23.595 -7.090 3.789 152 HD11 LEU 20 HD11 LEU 20 -24.757 -5.890 2.042 153 HD12 LEU 20 HD12 LEU 20 -23.261 -5.096 1.559 154 HD13 LEU 20 HD13 LEU 20 -23.969 -4.754 3.135 155 HD21 LEU 20 HD21 LEU 20 -23.684 -8.058 1.533 156 HD22 LEU 20 HD22 LEU 20 -22.258 -8.577 2.432 157 HD23 LEU 20 HD23 LEU 20 -22.109 -7.341 1.183 158 H TYR 21 H TYR 21 -18.695 -6.068 4.885 159 HA TYR 21 HA TYR 21 -17.297 -7.507 2.876 160 HB2 TYR 21 HB2 TYR 21 -16.494 -5.329 3.688 161 HB3 TYR 21 HB3 TYR 21 -16.246 -6.010 5.290 162 HD1 TYR 21 HD1 TYR 21 -15.071 -6.198 1.771 163 HD2 TYR 21 HD2 TYR 21 -14.241 -7.106 5.839 164 HE1 TYR 21 HE1 TYR 21 -12.770 -6.804 1.157 165 HE2 TYR 21 HE2 TYR 21 -11.939 -7.719 5.239 166 HH TYR 21 HH TYR 21 -10.705 -8.476 3.237 167 H LEU 22 H LEU 22 -17.293 -7.671 6.400 168 HA LEU 22 HA LEU 22 -15.582 -9.881 6.644 169 HB2 LEU 22 HB2 LEU 22 -17.755 -9.068 8.574 170 HB3 LEU 22 HB3 LEU 22 -16.293 -9.957 8.941 171 HG LEU 22 HG LEU 22 -16.374 -7.087 8.023 172 HD11 LEU 22 HD11 LEU 22 -15.727 -6.534 10.313 173 HD12 LEU 22 HD12 LEU 22 -15.928 -8.225 10.772 174 HD13 LEU 22 HD13 LEU 22 -17.321 -7.285 10.233 175 HD21 LEU 22 HD21 LEU 22 -14.059 -8.650 9.139 176 HD22 LEU 22 HD22 LEU 22 -14.049 -6.994 8.524 177 HD23 LEU 22 HD23 LEU 22 -14.320 -8.345 7.424 178 H ALA 23 H ALA 23 -18.937 -9.652 5.881 179 HA ALA 23 HA ALA 23 -19.614 -12.330 6.650 180 HB1 ALA 23 HB1 ALA 23 -21.259 -10.514 6.668 181 HB2 ALA 23 HB2 ALA 23 -21.772 -11.864 5.656 182 HB3 ALA 23 HB3 ALA 23 -21.135 -10.397 4.913 183 H ASN 24 H ASN 24 -18.385 -10.826 3.725 184 HA ASN 24 HA ASN 24 -18.793 -13.396 2.338 185 HB2 ASN 24 HB2 ASN 24 -19.030 -10.601 1.218 186 HB3 ASN 24 HB3 ASN 24 -18.929 -12.043 0.211 187 HD21 ASN 24 HD21 ASN 24 -20.904 -10.196 2.387 188 HD22 ASN 24 HD22 ASN 24 -22.375 -11.070 2.112 189 H LYS 25 H LYS 25 -16.431 -11.867 3.769 190 HA LYS 25 HA LYS 25 -14.511 -11.645 1.634 191 HB2 LYS 25 HB2 LYS 25 -12.870 -11.204 3.401 192 HB3 LYS 25 HB3 LYS 25 -14.303 -10.205 3.592 193 HG2 LYS 25 HG2 LYS 25 -15.116 -11.685 5.351 194 HG3 LYS 25 HG3 LYS 25 -13.695 -12.711 5.152 195 HD2 LYS 25 HD2 LYS 25 -13.512 -9.784 5.835 196 HD3 LYS 25 HD3 LYS 25 -13.622 -11.044 7.063 197 HE2 LYS 25 HE2 LYS 25 -11.492 -10.951 4.934 198 HE3 LYS 25 HE3 LYS 25 -11.295 -10.274 6.548 199 HZ1 LYS 25 HZ1 LYS 25 -11.787 -13.123 5.874 200 HZ2 LYS 25 HZ2 LYS 25 -11.739 -12.506 7.445 201 HZ3 LYS 25 HZ3 LYS 25 -10.354 -12.460 6.478 202 H ASP 26 H ASP 26 -15.763 -14.172 3.470 203 HA ASP 26 HA ASP 26 -13.372 -15.830 3.101 204 HB2 ASP 26 HB2 ASP 26 -14.369 -17.411 4.625 205 HB3 ASP 26 HB3 ASP 26 -14.472 -15.810 5.347 206 H VAL 27 H VAL 27 -15.764 -14.946 1.224 207 HA VAL 27 HA VAL 27 -16.421 -17.622 0.218 208 HB VAL 27 HB VAL 27 -17.687 -14.979 -0.531 209 HG11 VAL 27 HG11 VAL 27 -17.889 -16.651 -2.275 210 HG12 VAL 27 HG12 VAL 27 -19.454 -16.383 -1.505 211 HG13 VAL 27 HG13 VAL 27 -18.509 -17.821 -1.112 212 HG21 VAL 27 HG21 VAL 27 -18.148 -15.461 1.795 213 HG22 VAL 27 HG22 VAL 27 -18.650 -17.100 1.384 214 HG23 VAL 27 HG23 VAL 27 -19.603 -15.722 0.832 215 H GLU 28 H GLU 28 -14.969 -18.280 -1.208 216 HA GLU 28 HA GLU 28 -13.445 -16.425 -2.803 217 HB2 GLU 28 HB2 GLU 28 -13.498 -19.448 -2.830 218 HB3 GLU 28 HB3 GLU 28 -12.321 -18.437 -3.651 219 HG2 GLU 28 HG2 GLU 28 -12.729 -18.500 -0.673 220 HG3 GLU 28 HG3 GLU 28 -11.493 -19.415 -1.535 221 H GLY 29 H GLY 29 -13.546 -16.164 -5.021 222 HA2 GLY 29 HA2 GLY 29 -14.429 -16.331 -7.162 223 HA3 GLY 29 HA3 GLY 29 -15.441 -17.658 -6.608 224 H GLN 30 H GLN 30 -15.480 -14.767 -4.766 225 HA GLN 30 HA GLN 30 -17.844 -13.770 -6.171 226 HB2 GLN 30 HB2 GLN 30 -18.504 -15.259 -4.216 227 HB3 GLN 30 HB3 GLN 30 -17.768 -14.067 -3.167 228 HG2 GLN 30 HG2 GLN 30 -19.875 -13.245 -5.108 229 HG3 GLN 30 HG3 GLN 30 -20.332 -14.033 -3.607 230 HE21 GLN 30 HE21 GLN 30 -18.144 -12.666 -2.105 231 HE22 GLN 30 HE22 GLN 30 -18.690 -11.048 -1.933 232 H ASP 31 H ASP 31 -17.827 -11.624 -6.373 233 HA ASP 31 HA ASP 31 -15.590 -10.121 -5.424 234 HB2 ASP 31 HB2 ASP 31 -18.151 -9.291 -6.777 235 HB3 ASP 31 HB3 ASP 31 -16.851 -8.166 -6.394 236 H VAL 32 H VAL 32 -15.602 -10.101 -3.189 237 HA VAL 32 HA VAL 32 -17.779 -9.581 -1.530 238 HB VAL 32 HB VAL 32 -15.462 -10.318 -0.818 239 HG11 VAL 32 HG11 VAL 32 -14.172 -8.663 -1.980 240 HG12 VAL 32 HG12 VAL 32 -13.872 -8.524 -0.247 241 HG13 VAL 32 HG13 VAL 32 -14.936 -7.365 -1.059 242 HG21 VAL 32 HG21 VAL 32 -17.152 -9.765 0.831 243 HG22 VAL 32 HG22 VAL 32 -16.749 -8.051 0.707 244 HG23 VAL 32 HG23 VAL 32 -15.573 -9.190 1.367 245 H VAL 33 H VAL 33 -15.753 -7.480 -3.395 246 HA VAL 33 HA VAL 33 -16.330 -4.970 -2.395 247 HB VAL 33 HB VAL 33 -16.268 -5.496 -5.341 248 HG11 VAL 33 HG11 VAL 33 -16.558 -3.219 -4.780 249 HG12 VAL 33 HG12 VAL 33 -14.891 -3.415 -5.321 250 HG13 VAL 33 HG13 VAL 33 -15.253 -3.276 -3.601 251 HG21 VAL 33 HG21 VAL 33 -14.534 -6.912 -4.673 252 HG22 VAL 33 HG22 VAL 33 -13.984 -5.796 -3.428 253 HG23 VAL 33 HG23 VAL 33 -13.736 -5.406 -5.130 254 H GLU 34 H GLU 34 -17.948 -6.642 -5.079 255 HA GLU 34 HA GLU 34 -20.076 -4.763 -5.145 256 HB2 GLU 34 HB2 GLU 34 -19.719 -7.424 -6.509 257 HB3 GLU 34 HB3 GLU 34 -21.105 -6.373 -6.773 258 HG2 GLU 34 HG2 GLU 34 -19.497 -4.578 -7.451 259 HG3 GLU 34 HG3 GLU 34 -18.219 -5.791 -7.391 260 H ALA 35 H ALA 35 -19.563 -7.838 -3.566 261 HA ALA 35 HA ALA 35 -22.160 -8.432 -2.782 262 HB1 ALA 35 HB1 ALA 35 -21.187 -9.450 -0.772 263 HB2 ALA 35 HB2 ALA 35 -19.654 -8.647 -1.114 264 HB3 ALA 35 HB3 ALA 35 -20.273 -9.873 -2.221 265 H ILE 36 H ILE 36 -19.849 -6.155 -1.400 266 HA ILE 36 HA ILE 36 -21.585 -5.312 0.697 267 HB ILE 36 HB ILE 36 -19.175 -3.908 -0.448 268 HG12 ILE 36 HG12 ILE 36 -19.264 -5.661 1.998 269 HG13 ILE 36 HG13 ILE 36 -18.874 -6.301 0.403 270 HG21 ILE 36 HG21 ILE 36 -19.076 -2.811 1.744 271 HG22 ILE 36 HG22 ILE 36 -20.567 -3.627 2.212 272 HG23 ILE 36 HG23 ILE 36 -20.581 -2.452 0.898 273 HD11 ILE 36 HD11 ILE 36 -17.007 -4.721 0.265 274 HD12 ILE 36 HD12 ILE 36 -16.875 -5.834 1.624 275 HD13 ILE 36 HD13 ILE 36 -17.384 -4.170 1.897 276 H LEU 37 H LEU 37 -20.328 -3.593 -2.162 277 HA LEU 37 HA LEU 37 -21.946 -1.337 -1.639 278 HB2 LEU 37 HB2 LEU 37 -21.196 -0.566 -3.912 279 HB3 LEU 37 HB3 LEU 37 -19.947 -0.902 -2.737 280 HG LEU 37 HG LEU 37 -19.660 -3.164 -3.899 281 HD11 LEU 37 HD11 LEU 37 -21.311 -1.700 -5.966 282 HD12 LEU 37 HD12 LEU 37 -21.708 -3.228 -5.179 283 HD13 LEU 37 HD13 LEU 37 -20.344 -3.135 -6.294 284 HD21 LEU 37 HD21 LEU 37 -19.021 -0.604 -5.347 285 HD22 LEU 37 HD22 LEU 37 -18.255 -2.165 -5.638 286 HD23 LEU 37 HD23 LEU 37 -18.062 -1.364 -4.078 287 H ALA 38 H ALA 38 -22.673 -4.213 -3.345 288 HA ALA 38 HA ALA 38 -24.886 -2.989 -4.779 289 HB1 ALA 38 HB1 ALA 38 -23.573 -4.744 -5.869 290 HB2 ALA 38 HB2 ALA 38 -25.275 -5.186 -5.722 291 HB3 ALA 38 HB3 ALA 38 -24.083 -5.886 -4.625 292 H HIS 39 H HIS 39 -24.354 -4.769 -1.817 293 HA HIS 39 HA HIS 39 -27.164 -5.494 -1.636 294 HB2 HIS 39 HB2 HIS 39 -24.750 -6.135 -0.000 295 HB3 HIS 39 HB3 HIS 39 -26.344 -6.299 0.727 296 HD1 HIS 39 HD1 HIS 39 -27.665 -8.363 0.146 297 HD2 HIS 39 HD2 HIS 39 -24.289 -7.886 -2.217 298 HE1 HIS 39 HE1 HIS 39 -27.438 -10.501 -1.149 299 HE2 HIS 39 HE2 HIS 39 -25.549 -10.077 -2.752 300 H LEU 40 H LEU 40 -25.024 -3.045 -0.291 301 HA LEU 40 HA LEU 40 -27.216 -2.259 1.466 302 HB2 LEU 40 HB2 LEU 40 -25.431 -0.503 2.249 303 HB3 LEU 40 HB3 LEU 40 -25.451 -2.137 2.855 304 HG LEU 40 HG LEU 40 -23.658 -2.648 1.114 305 HD11 LEU 40 HD11 LEU 40 -22.306 -0.781 0.358 306 HD12 LEU 40 HD12 LEU 40 -23.438 0.359 1.086 307 HD13 LEU 40 HD13 LEU 40 -23.949 -0.649 -0.273 308 HD21 LEU 40 HD21 LEU 40 -21.895 -1.750 2.566 309 HD22 LEU 40 HD22 LEU 40 -23.206 -2.487 3.486 310 HD23 LEU 40 HD23 LEU 40 -23.088 -0.729 3.369 311 H ASN 41 H ASN 41 -28.650 -1.434 0.012 312 HA ASN 41 HA ASN 41 -27.875 0.772 -1.708 313 HB2 ASN 41 HB2 ASN 41 -29.654 -1.039 -2.235 314 HB3 ASN 41 HB3 ASN 41 -30.712 -0.109 -1.181 315 HD21 ASN 41 HD21 ASN 41 -31.430 1.930 -1.854 316 HD22 ASN 41 HD22 ASN 41 -31.289 2.451 -3.496 317 H THR 42 H THR 42 -27.374 1.200 0.975 318 HA THR 42 HA THR 42 -29.391 3.115 1.883 319 HB THR 42 HB THR 42 -28.628 1.596 3.599 320 HG1 THR 42 HG1 THR 42 -27.442 3.238 5.001 321 HG21 THR 42 HG21 THR 42 -26.309 1.369 4.261 322 HG22 THR 42 HG22 THR 42 -25.820 2.546 3.039 323 HG23 THR 42 HG23 THR 42 -26.485 0.991 2.549 324 H VAL 43 H VAL 43 -26.578 2.925 0.084 325 HA VAL 43 HA VAL 43 -26.183 5.809 0.193 326 HB VAL 43 HB VAL 43 -23.656 5.405 0.185 327 HG11 VAL 43 HG11 VAL 43 -24.744 6.446 2.061 328 HG12 VAL 43 HG12 VAL 43 -23.534 5.305 2.647 329 HG13 VAL 43 HG13 VAL 43 -25.245 4.876 2.688 330 HG21 VAL 43 HG21 VAL 43 -22.879 3.381 1.331 331 HG22 VAL 43 HG22 VAL 43 -23.702 2.993 -0.180 332 HG23 VAL 43 HG23 VAL 43 -24.531 2.766 1.360 333 HA PRO 44 HA PRO 44 -25.874 4.778 -4.219 334 HB2 PRO 44 HB2 PRO 44 -26.137 7.345 -5.063 335 HB3 PRO 44 HB3 PRO 44 -27.522 6.336 -4.631 336 HG2 PRO 44 HG2 PRO 44 -26.138 8.445 -3.023 337 HG3 PRO 44 HG3 PRO 44 -27.873 8.119 -3.188 338 HD2 PRO 44 HD2 PRO 44 -26.414 7.315 -1.043 339 HD3 PRO 44 HD3 PRO 44 -27.827 6.420 -1.639 340 H ARG 45 H ARG 45 -23.694 4.191 -4.228 341 HA ARG 45 HA ARG 45 -21.763 6.396 -4.370 342 HB2 ARG 45 HB2 ARG 45 -21.497 3.911 -2.684 343 HB3 ARG 45 HB3 ARG 45 -20.180 5.035 -3.005 344 HG2 ARG 45 HG2 ARG 45 -21.569 6.829 -1.992 345 HG3 ARG 45 HG3 ARG 45 -22.734 5.586 -1.526 346 HD2 ARG 45 HD2 ARG 45 -20.804 4.409 -0.393 347 HD3 ARG 45 HD3 ARG 45 -19.884 5.892 -0.637 348 HE ARG 45 HE ARG 45 -21.979 5.432 1.274 349 HH11 ARG 45 HH11 ARG 45 -20.246 7.878 -0.531 350 HH12 ARG 45 HH12 ARG 45 -20.562 9.135 0.620 351 HH21 ARG 45 HH21 ARG 45 -22.383 7.079 2.804 352 HH22 ARG 45 HH22 ARG 45 -21.787 8.682 2.507 353 H THR 46 H THR 46 -19.488 5.374 -4.857 354 HA THR 46 HA THR 46 -19.918 3.719 -7.258 355 HB THR 46 HB THR 46 -19.076 5.993 -7.706 356 HG1 THR 46 HG1 THR 46 -17.043 5.212 -8.798 357 HG21 THR 46 HG21 THR 46 -17.817 6.467 -5.709 358 HG22 THR 46 HG22 THR 46 -16.728 6.549 -7.093 359 HG23 THR 46 HG23 THR 46 -16.711 5.136 -6.044 360 H ARG 47 H ARG 47 -17.929 2.383 -7.867 361 HA ARG 47 HA ARG 47 -17.496 0.430 -5.925 362 HB2 ARG 47 HB2 ARG 47 -16.312 1.053 -8.567 363 HB3 ARG 47 HB3 ARG 47 -15.354 0.023 -7.516 364 HG2 ARG 47 HG2 ARG 47 -16.683 -1.334 -8.979 365 HG3 ARG 47 HG3 ARG 47 -17.260 -1.519 -7.326 366 HD2 ARG 47 HD2 ARG 47 -19.091 0.024 -7.783 367 HD3 ARG 47 HD3 ARG 47 -18.497 0.245 -9.428 368 HE ARG 47 HE ARG 47 -18.912 -2.491 -8.992 369 HH11 ARG 47 HH11 ARG 47 -20.731 0.470 -9.364 370 HH12 ARG 47 HH12 ARG 47 -22.150 -0.324 -9.969 371 HH21 ARG 47 HH21 ARG 47 -20.766 -3.560 -9.798 372 HH22 ARG 47 HH22 ARG 47 -22.164 -2.620 -10.230 373 H LYS 48 H LYS 48 -15.219 2.873 -7.091 374 HA LYS 48 HA LYS 48 -13.035 2.364 -5.498 375 HB2 LYS 48 HB2 LYS 48 -13.038 3.971 -7.331 376 HB3 LYS 48 HB3 LYS 48 -14.125 5.020 -6.437 377 HG2 LYS 48 HG2 LYS 48 -12.206 4.992 -4.660 378 HG3 LYS 48 HG3 LYS 48 -11.219 4.525 -6.047 379 HD2 LYS 48 HD2 LYS 48 -11.126 6.907 -5.860 380 HD3 LYS 48 HD3 LYS 48 -12.131 6.518 -7.260 381 HE2 LYS 48 HE2 LYS 48 -14.147 6.856 -5.908 382 HE3 LYS 48 HE3 LYS 48 -13.147 7.229 -4.505 383 HZ1 LYS 48 HZ1 LYS 48 -12.265 9.144 -5.711 384 HZ2 LYS 48 HZ2 LYS 48 -13.945 9.239 -5.546 385 HZ3 LYS 48 HZ3 LYS 48 -13.266 8.792 -7.029 386 H GLN 49 H GLN 49 -16.025 3.908 -4.631 387 HA GLN 49 HA GLN 49 -15.065 5.377 -2.413 388 HB2 GLN 49 HB2 GLN 49 -17.222 5.631 -3.890 389 HB3 GLN 49 HB3 GLN 49 -17.930 4.559 -2.692 390 HG2 GLN 49 HG2 GLN 49 -17.816 6.112 -1.044 391 HG3 GLN 49 HG3 GLN 49 -16.443 6.939 -1.770 392 HE21 GLN 49 HE21 GLN 49 -17.405 8.951 -1.585 393 HE22 GLN 49 HE22 GLN 49 -18.718 9.436 -2.604 394 H ILE 50 H ILE 50 -17.072 2.419 -2.616 395 HA ILE 50 HA ILE 50 -17.067 1.884 0.142 396 HB ILE 50 HB ILE 50 -17.550 0.173 -2.270 397 HG12 ILE 50 HG12 ILE 50 -19.725 -0.175 -0.853 398 HG13 ILE 50 HG13 ILE 50 -19.167 1.252 0.012 399 HG21 ILE 50 HG21 ILE 50 -16.350 -1.321 -0.792 400 HG22 ILE 50 HG22 ILE 50 -18.058 -1.760 -0.841 401 HG23 ILE 50 HG23 ILE 50 -17.411 -0.886 0.547 402 HD11 ILE 50 HD11 ILE 50 -19.156 2.500 -2.098 403 HD12 ILE 50 HD12 ILE 50 -20.750 1.853 -1.704 404 HD13 ILE 50 HD13 ILE 50 -19.759 1.066 -2.932 405 H ILE 51 H ILE 51 -14.959 0.680 -2.446 406 HA ILE 51 HA ILE 51 -13.366 -1.067 -1.011 407 HB ILE 51 HB ILE 51 -12.474 0.783 -3.223 408 HG12 ILE 51 HG12 ILE 51 -13.465 -2.067 -3.399 409 HG13 ILE 51 HG13 ILE 51 -14.430 -0.648 -3.796 410 HG21 ILE 51 HG21 ILE 51 -10.739 -0.908 -3.632 411 HG22 ILE 51 HG22 ILE 51 -11.266 -1.777 -2.193 412 HG23 ILE 51 HG23 ILE 51 -10.584 -0.157 -2.045 413 HD11 ILE 51 HD11 ILE 51 -13.526 -1.714 -5.788 414 HD12 ILE 51 HD12 ILE 51 -11.889 -1.480 -5.176 415 HD13 ILE 51 HD13 ILE 51 -12.886 -0.084 -5.585 416 H HIS 52 H HIS 52 -12.960 2.411 -1.488 417 HA HIS 52 HA HIS 52 -10.430 2.638 -0.341 418 HB2 HIS 52 HB2 HIS 52 -12.545 4.475 -1.190 419 HB3 HIS 52 HB3 HIS 52 -11.545 5.098 0.122 420 HD1 HIS 52 HD1 HIS 52 -9.831 6.564 -0.856 421 HD2 HIS 52 HD2 HIS 52 -10.479 3.185 -3.202 422 HE1 HIS 52 HE1 HIS 52 -8.139 6.687 -2.705 423 HE2 HIS 52 HE2 HIS 52 -8.468 4.584 -4.045 424 H HIS 53 H HIS 53 -13.627 2.909 1.196 425 HA HIS 53 HA HIS 53 -12.525 3.897 3.652 426 HB2 HIS 53 HB2 HIS 53 -15.231 2.613 3.316 427 HB3 HIS 53 HB3 HIS 53 -14.728 3.754 4.556 428 HD1 HIS 53 HD1 HIS 53 -13.415 5.854 2.607 429 HD2 HIS 53 HD2 HIS 53 -17.180 4.146 2.188 430 HE1 HIS 53 HE1 HIS 53 -14.677 7.375 1.046 431 HE2 HIS 53 HE2 HIS 53 -17.008 6.460 1.029 432 H LEU 54 H LEU 54 -12.970 0.810 2.289 433 HA LEU 54 HA LEU 54 -13.065 -0.661 4.755 434 HB2 LEU 54 HB2 LEU 54 -12.732 -1.425 1.867 435 HB3 LEU 54 HB3 LEU 54 -12.601 -2.611 3.148 436 HG LEU 54 HG LEU 54 -15.047 -0.888 2.788 437 HD11 LEU 54 HD11 LEU 54 -14.619 -2.184 0.744 438 HD12 LEU 54 HD12 LEU 54 -16.059 -2.733 1.598 439 HD13 LEU 54 HD13 LEU 54 -14.564 -3.659 1.710 440 HD21 LEU 54 HD21 LEU 54 -16.131 -2.638 4.105 441 HD22 LEU 54 HD22 LEU 54 -14.769 -1.950 4.990 442 HD23 LEU 54 HD23 LEU 54 -14.610 -3.524 4.209 443 H VAL 55 H VAL 55 -10.633 -0.193 2.201 444 HA VAL 55 HA VAL 55 -8.582 -1.562 3.609 445 HB VAL 55 HB VAL 55 -7.056 -0.771 1.950 446 HG11 VAL 55 HG11 VAL 55 -9.768 -1.271 0.738 447 HG12 VAL 55 HG12 VAL 55 -8.587 -2.489 1.217 448 HG13 VAL 55 HG13 VAL 55 -8.233 -1.396 -0.120 449 HG21 VAL 55 HG21 VAL 55 -7.629 1.588 1.918 450 HG22 VAL 55 HG22 VAL 55 -9.169 1.223 1.140 451 HG23 VAL 55 HG23 VAL 55 -7.657 0.930 0.282 452 H GLN 56 H GLN 56 -9.783 1.669 3.648 453 HA GLN 56 HA GLN 56 -7.585 2.765 5.141 454 HB2 GLN 56 HB2 GLN 56 -10.274 3.762 4.271 455 HB3 GLN 56 HB3 GLN 56 -9.371 4.649 5.480 456 HG2 GLN 56 HG2 GLN 56 -7.500 4.882 3.912 457 HG3 GLN 56 HG3 GLN 56 -8.408 3.978 2.704 458 HE21 GLN 56 HE21 GLN 56 -10.192 4.915 1.747 459 HE22 GLN 56 HE22 GLN 56 -10.448 6.626 1.749 460 H MET 57 H MET 57 -10.354 0.908 5.881 461 HA MET 57 HA MET 57 -10.541 1.865 8.610 462 HB2 MET 57 HB2 MET 57 -12.469 0.998 7.067 463 HB3 MET 57 HB3 MET 57 -11.942 -0.585 7.621 464 HG2 MET 57 HG2 MET 57 -12.293 0.133 9.945 465 HG3 MET 57 HG3 MET 57 -12.881 1.687 9.357 466 HE1 MET 57 HE1 MET 57 -14.462 0.419 6.652 467 HE2 MET 57 HE2 MET 57 -14.935 1.826 7.604 468 HE3 MET 57 HE3 MET 57 -16.086 0.516 7.336 469 H GLY 58 H GLY 58 -8.534 -0.183 6.990 470 HA2 GLY 58 HA2 GLY 58 -6.694 -1.254 7.940 471 HA3 GLY 58 HA3 GLY 58 -7.471 -1.145 9.511 472 H LEU 59 H LEU 59 -9.769 -2.301 7.546 473 HA LEU 59 HA LEU 59 -9.382 -4.998 8.512 474 HB2 LEU 59 HB2 LEU 59 -11.644 -5.376 7.534 475 HB3 LEU 59 HB3 LEU 59 -11.570 -4.153 8.782 476 HG LEU 59 HG LEU 59 -11.327 -2.554 6.678 477 HD11 LEU 59 HD11 LEU 59 -12.888 -4.900 5.629 478 HD12 LEU 59 HD12 LEU 59 -11.326 -4.333 5.034 479 HD13 LEU 59 HD13 LEU 59 -12.759 -3.319 4.864 480 HD21 LEU 59 HD21 LEU 59 -13.711 -2.158 6.821 481 HD22 LEU 59 HD22 LEU 59 -13.036 -2.448 8.424 482 HD23 LEU 59 HD23 LEU 59 -13.939 -3.721 7.604 483 H ALA 60 H ALA 60 -8.800 -3.227 5.682 484 HA ALA 60 HA ALA 60 -8.034 -5.743 4.340 485 HB1 ALA 60 HB1 ALA 60 -8.421 -4.598 2.165 486 HB2 ALA 60 HB2 ALA 60 -9.154 -3.260 3.047 487 HB3 ALA 60 HB3 ALA 60 -9.894 -4.857 3.102 488 H ASP 61 H ASP 61 -6.250 -5.381 2.721 489 HA ASP 61 HA ASP 61 -4.178 -3.765 3.912 490 HB2 ASP 61 HB2 ASP 61 -3.579 -5.955 3.007 491 HB3 ASP 61 HB3 ASP 61 -4.165 -5.478 1.414 492 H SER 62 H SER 62 -5.426 -4.007 0.584 493 HA SER 62 HA SER 62 -5.232 -1.124 0.307 494 HB2 SER 62 HB2 SER 62 -3.657 -3.017 -1.448 495 HB3 SER 62 HB3 SER 62 -3.775 -1.274 -1.646 496 HG SER 62 HG SER 62 -2.468 -2.761 0.369 497 H VAL 63 H VAL 63 -5.884 -0.455 -1.935 498 HA VAL 63 HA VAL 63 -8.400 -1.468 -2.627 499 HB VAL 63 HB VAL 63 -6.467 0.254 -4.188 500 HG11 VAL 63 HG11 VAL 63 -9.380 -0.256 -4.780 501 HG12 VAL 63 HG12 VAL 63 -8.021 -0.836 -5.741 502 HG13 VAL 63 HG13 VAL 63 -8.338 0.894 -5.611 503 HG21 VAL 63 HG21 VAL 63 -7.241 1.234 -2.114 504 HG22 VAL 63 HG22 VAL 63 -8.915 0.912 -2.562 505 HG23 VAL 63 HG23 VAL 63 -7.962 2.071 -3.489 506 H LYS 64 H LYS 64 -5.225 -2.394 -3.548 507 HA LYS 64 HA LYS 64 -5.530 -3.629 -5.994 508 HB2 LYS 64 HB2 LYS 64 -3.465 -4.589 -5.567 509 HB3 LYS 64 HB3 LYS 64 -3.493 -3.264 -4.427 510 HG2 LYS 64 HG2 LYS 64 -4.252 -4.871 -2.678 511 HG3 LYS 64 HG3 LYS 64 -3.956 -6.164 -3.840 512 HD2 LYS 64 HD2 LYS 64 -1.598 -5.255 -4.039 513 HD3 LYS 64 HD3 LYS 64 -1.968 -4.258 -2.630 514 HE2 LYS 64 HE2 LYS 64 -2.110 -7.270 -2.742 515 HE3 LYS 64 HE3 LYS 64 -0.806 -6.336 -2.017 516 HZ1 LYS 64 HZ1 LYS 64 -2.322 -5.478 -0.380 517 HZ2 LYS 64 HZ2 LYS 64 -2.430 -7.168 -0.393 518 HZ3 LYS 64 HZ3 LYS 64 -3.644 -6.242 -1.123 519 H ASP 65 H ASP 65 -6.286 -4.810 -2.810 520 HA ASP 65 HA ASP 65 -6.775 -7.510 -3.482 521 HB2 ASP 65 HB2 ASP 65 -7.729 -5.820 -1.167 522 HB3 ASP 65 HB3 ASP 65 -8.020 -7.556 -1.285 523 H PHE 66 H PHE 66 -8.689 -4.667 -3.804 524 HA PHE 66 HA PHE 66 -11.125 -6.222 -4.353 525 HB2 PHE 66 HB2 PHE 66 -10.684 -3.233 -4.145 526 HB3 PHE 66 HB3 PHE 66 -12.236 -4.003 -4.433 527 HD1 PHE 66 HD1 PHE 66 -13.642 -4.080 -2.634 528 HD2 PHE 66 HD2 PHE 66 -9.438 -4.285 -1.976 529 HE1 PHE 66 HE1 PHE 66 -14.017 -4.157 -0.209 530 HE2 PHE 66 HE2 PHE 66 -9.813 -4.361 0.448 531 HZ PHE 66 HZ PHE 66 -12.102 -4.289 1.335 532 H GLN 67 H GLN 67 -9.026 -3.755 -5.711 533 HA GLN 67 HA GLN 67 -9.544 -4.624 -8.426 534 HB2 GLN 67 HB2 GLN 67 -10.213 -1.848 -7.418 535 HB3 GLN 67 HB3 GLN 67 -10.003 -2.234 -9.125 536 HG2 GLN 67 HG2 GLN 67 -11.845 -3.905 -8.884 537 HG3 GLN 67 HG3 GLN 67 -12.107 -3.285 -7.252 538 HE21 GLN 67 HE21 GLN 67 -14.161 -2.583 -7.720 539 HE22 GLN 67 HE22 GLN 67 -14.472 -1.208 -8.717 540 H ARG 68 H ARG 68 -7.403 -5.096 -8.736 541 HA ARG 68 HA ARG 68 -5.291 -3.394 -7.917 542 HB2 ARG 68 HB2 ARG 68 -4.888 -5.758 -8.254 543 HB3 ARG 68 HB3 ARG 68 -5.341 -5.629 -9.947 544 HG2 ARG 68 HG2 ARG 68 -3.409 -4.228 -10.384 545 HG3 ARG 68 HG3 ARG 68 -2.968 -4.277 -8.676 546 HD2 ARG 68 HD2 ARG 68 -2.550 -6.631 -8.788 547 HD3 ARG 68 HD3 ARG 68 -3.201 -6.722 -10.422 548 HE ARG 68 HE ARG 68 -1.232 -5.065 -10.873 549 HH11 ARG 68 HH11 ARG 68 -1.190 -7.868 -8.771 550 HH12 ARG 68 HH12 ARG 68 0.490 -8.197 -9.041 551 HH21 ARG 68 HH21 ARG 68 0.967 -5.494 -11.231 552 HH22 ARG 68 HH22 ARG 68 1.740 -6.838 -10.437 553 H LYS 69 H LYS 69 -6.069 -1.383 -8.690 554 HA LYS 69 HA LYS 69 -5.285 -0.885 -11.488 555 HB2 LYS 69 HB2 LYS 69 -6.901 0.870 -9.616 556 HB3 LYS 69 HB3 LYS 69 -6.498 1.251 -11.284 557 HG2 LYS 69 HG2 LYS 69 -7.819 -0.657 -12.041 558 HG3 LYS 69 HG3 LYS 69 -8.219 -1.046 -10.368 559 HD2 LYS 69 HD2 LYS 69 -10.065 0.155 -11.334 560 HD3 LYS 69 HD3 LYS 69 -9.271 1.202 -10.160 561 HE2 LYS 69 HE2 LYS 69 -9.834 2.438 -12.173 562 HE3 LYS 69 HE3 LYS 69 -8.089 2.336 -11.975 563 HZ1 LYS 69 HZ1 LYS 69 -9.710 0.617 -13.775 564 HZ2 LYS 69 HZ2 LYS 69 -8.026 0.580 -13.612 565 HZ3 LYS 69 HZ3 LYS 69 -8.783 1.944 -14.262 566 H GLY 70 H GLY 70 -5.164 0.467 -8.218 567 HA2 GLY 70 HA2 GLY 70 -2.447 1.460 -8.776 568 HA3 GLY 70 HA3 GLY 70 -3.497 2.055 -7.493 569 H THR 71 H THR 71 -0.893 0.115 -8.126 570 HA THR 71 HA THR 71 -1.487 -2.044 -6.337 571 HB THR 71 HB THR 71 1.058 -2.465 -6.601 572 HG1 THR 71 HG1 THR 71 0.750 -0.869 -8.919 573 HG21 THR 71 HG21 THR 71 0.676 -3.489 -8.821 574 HG22 THR 71 HG22 THR 71 -0.833 -2.588 -8.966 575 HG23 THR 71 HG23 THR 71 -0.650 -3.807 -7.705 576 H HIS 72 H HIS 72 -1.175 -2.153 -4.204 577 HA HIS 72 HA HIS 72 0.117 -0.216 -2.672 578 HB2 HIS 72 HB2 HIS 72 -1.037 -1.757 -1.326 579 HB3 HIS 72 HB3 HIS 72 -0.398 -3.148 -2.206 580 HD1 HIS 72 HD1 HIS 72 1.278 -0.295 -0.331 581 HD2 HIS 72 HD2 HIS 72 1.414 -4.429 -0.637 582 HE1 HIS 72 HE1 HIS 72 3.358 -1.001 0.859 583 HE2 HIS 72 HE2 HIS 72 3.134 -3.509 1.051 584 H ILE 73 H ILE 73 2.140 0.417 -2.744 585 HA ILE 73 HA ILE 73 4.166 -1.555 -3.487 586 HB ILE 73 HB ILE 73 3.572 1.056 -4.733 587 HG12 ILE 73 HG12 ILE 73 3.289 -1.457 -5.473 588 HG13 ILE 73 HG13 ILE 73 3.617 -0.176 -6.649 589 HG21 ILE 73 HG21 ILE 73 5.938 1.113 -5.629 590 HG22 ILE 73 HG22 ILE 73 6.353 -0.015 -4.335 591 HG23 ILE 73 HG23 ILE 73 5.747 1.591 -3.943 592 HD11 ILE 73 HD11 ILE 73 4.982 -2.172 -7.041 593 HD12 ILE 73 HD12 ILE 73 5.664 -2.021 -5.420 594 HD13 ILE 73 HD13 ILE 73 5.982 -0.777 -6.631 595 H VAL 74 H VAL 74 5.547 -1.801 -1.994 596 HA VAL 74 HA VAL 74 6.084 0.076 0.058 597 HB VAL 74 HB VAL 74 7.881 -1.465 0.705 598 HG11 VAL 74 HG11 VAL 74 5.629 -2.022 1.384 599 HG12 VAL 74 HG12 VAL 74 6.532 -3.494 1.022 600 HG13 VAL 74 HG13 VAL 74 5.356 -2.871 -0.140 601 HG21 VAL 74 HG21 VAL 74 7.250 -2.902 -1.869 602 HG22 VAL 74 HG22 VAL 74 8.349 -3.471 -0.609 603 HG23 VAL 74 HG23 VAL 74 8.730 -2.005 -1.512 604 H LEU 75 H LEU 75 8.004 1.369 0.262 605 HA LEU 75 HA LEU 75 8.487 2.914 -1.973 606 HB2 LEU 75 HB2 LEU 75 10.383 3.877 -0.669 607 HB3 LEU 75 HB3 LEU 75 8.852 3.817 0.185 608 HG LEU 75 HG LEU 75 10.292 1.416 0.751 609 HD11 LEU 75 HD11 LEU 75 12.249 2.344 1.868 610 HD12 LEU 75 HD12 LEU 75 11.842 3.952 1.270 611 HD13 LEU 75 HD13 LEU 75 12.294 2.678 0.135 612 HD21 LEU 75 HD21 LEU 75 10.053 2.193 3.041 613 HD22 LEU 75 HD22 LEU 75 8.559 2.430 2.135 614 HD23 LEU 75 HD23 LEU 75 9.617 3.801 2.463 615 H TRP 76 H TRP 76 9.102 1.682 -3.768 616 HA TRP 76 HA TRP 76 11.523 0.108 -3.631 617 HB2 TRP 76 HB2 TRP 76 9.465 0.554 -5.771 618 HB3 TRP 76 HB3 TRP 76 11.013 -0.190 -6.155 619 HD1 TRP 76 HD1 TRP 76 7.639 -1.157 -5.304 620 HE1 TRP 76 HE1 TRP 76 7.538 -3.560 -4.390 621 HE3 TRP 76 HE3 TRP 76 12.594 -1.860 -4.315 622 HZ2 TRP 76 HZ2 TRP 76 9.312 -5.492 -3.385 623 HZ3 TRP 76 HZ3 TRP 76 13.307 -4.014 -3.378 624 HH2 TRP 76 HH2 TRP 76 11.701 -5.791 -2.919 625 H THR 77 H THR 77 13.333 1.155 -3.613 626 HA THR 77 HA THR 77 13.791 3.286 -5.587 627 HB THR 77 HB THR 77 15.684 3.963 -4.111 628 HG1 THR 77 HG1 THR 77 15.396 3.012 -1.860 629 HG21 THR 77 HG21 THR 77 14.316 4.952 -2.321 630 HG22 THR 77 HG22 THR 77 12.990 3.873 -2.748 631 HG23 THR 77 HG23 THR 77 13.532 5.100 -3.893 632 H GLY 78 H GLY 78 16.277 3.331 -6.150 633 HA2 GLY 78 HA2 GLY 78 17.067 0.903 -7.326 634 HA3 GLY 78 HA3 GLY 78 18.124 2.275 -7.020 635 H ASP 79 H ASP 79 17.646 2.272 -4.165 636 HA ASP 79 HA ASP 79 19.649 0.421 -3.350 637 HB2 ASP 79 HB2 ASP 79 17.734 2.009 -1.617 638 HB3 ASP 79 HB3 ASP 79 19.222 1.236 -1.084 639 H GLN 80 H GLN 80 16.148 0.662 -2.637 640 HA GLN 80 HA GLN 80 16.108 -1.743 -1.143 641 HB2 GLN 80 HB2 GLN 80 14.391 -0.004 -0.856 642 HB3 GLN 80 HB3 GLN 80 13.783 -0.339 -2.476 643 HG2 GLN 80 HG2 GLN 80 13.090 -2.521 -1.855 644 HG3 GLN 80 HG3 GLN 80 13.927 -2.414 -0.314 645 HE21 GLN 80 HE21 GLN 80 11.118 -1.531 -2.113 646 HE22 GLN 80 HE22 GLN 80 10.212 -0.898 -0.789 647 H GLU 81 H GLU 81 15.617 -1.039 -4.539 648 HA GLU 81 HA GLU 81 14.580 -3.513 -5.362 649 HB2 GLU 81 HB2 GLU 81 14.732 -1.484 -6.790 650 HB3 GLU 81 HB3 GLU 81 16.475 -1.693 -6.864 651 HG2 GLU 81 HG2 GLU 81 16.227 -3.764 -8.057 652 HG3 GLU 81 HG3 GLU 81 14.473 -3.701 -7.870 653 H LEU 82 H LEU 82 17.881 -2.379 -4.874 654 HA LEU 82 HA LEU 82 19.171 -4.780 -5.632 655 HB2 LEU 82 HB2 LEU 82 20.337 -2.631 -5.507 656 HB3 LEU 82 HB3 LEU 82 20.087 -2.589 -3.772 657 HG LEU 82 HG LEU 82 21.408 -4.770 -3.690 658 HD11 LEU 82 HD11 LEU 82 22.191 -3.847 -6.447 659 HD12 LEU 82 HD12 LEU 82 21.309 -5.322 -6.049 660 HD13 LEU 82 HD13 LEU 82 22.982 -5.125 -5.525 661 HD21 LEU 82 HD21 LEU 82 22.257 -2.649 -2.898 662 HD22 LEU 82 HD22 LEU 82 22.776 -2.229 -4.532 663 HD23 LEU 82 HD23 LEU 82 23.529 -3.583 -3.685 664 H GLU 83 H GLU 83 18.088 -3.479 -2.505 665 HA GLU 83 HA GLU 83 19.055 -5.406 -0.780 666 HB2 GLU 83 HB2 GLU 83 16.362 -4.034 -0.686 667 HB3 GLU 83 HB3 GLU 83 17.044 -4.965 0.636 668 HG2 GLU 83 HG2 GLU 83 18.942 -3.367 0.703 669 HG3 GLU 83 HG3 GLU 83 18.106 -2.397 -0.512 670 H LEU 84 H LEU 84 16.021 -5.439 -2.615 671 HA LEU 84 HA LEU 84 15.088 -7.932 -1.736 672 HB2 LEU 84 HB2 LEU 84 13.610 -6.462 -2.906 673 HB3 LEU 84 HB3 LEU 84 14.651 -6.442 -4.317 674 HG LEU 84 HG LEU 84 14.154 -8.832 -4.702 675 HD11 LEU 84 HD11 LEU 84 12.166 -8.510 -2.460 676 HD12 LEU 84 HD12 LEU 84 13.667 -9.431 -2.371 677 HD13 LEU 84 HD13 LEU 84 12.388 -9.933 -3.477 678 HD21 LEU 84 HD21 LEU 84 12.844 -7.115 -5.835 679 HD22 LEU 84 HD22 LEU 84 11.710 -7.080 -4.483 680 HD23 LEU 84 HD23 LEU 84 11.860 -8.533 -5.470 681 H GLN 85 H GLN 85 16.956 -7.071 -4.623 682 HA GLN 85 HA GLN 85 17.080 -9.604 -5.757 683 HB2 GLN 85 HB2 GLN 85 17.697 -7.527 -6.931 684 HB3 GLN 85 HB3 GLN 85 19.147 -7.408 -5.937 685 HG2 GLN 85 HG2 GLN 85 19.931 -9.536 -6.846 686 HG3 GLN 85 HG3 GLN 85 18.500 -9.626 -7.859 687 HE21 GLN 85 HE21 GLN 85 21.570 -8.153 -7.372 688 HE22 GLN 85 HE22 GLN 85 21.648 -7.320 -8.885 689 H ARG 86 H ARG 86 19.449 -8.013 -3.622 690 HA ARG 86 HA ARG 86 21.374 -10.019 -3.655 691 HB2 ARG 86 HB2 ARG 86 20.681 -8.189 -1.354 692 HB3 ARG 86 HB3 ARG 86 22.185 -9.085 -1.535 693 HG2 ARG 86 HG2 ARG 86 22.561 -7.838 -3.674 694 HG3 ARG 86 HG3 ARG 86 21.169 -6.840 -3.254 695 HD2 ARG 86 HD2 ARG 86 23.212 -5.728 -2.575 696 HD3 ARG 86 HD3 ARG 86 22.276 -6.194 -1.155 697 HE ARG 86 HE ARG 86 24.235 -8.150 -1.896 698 HH11 ARG 86 HH11 ARG 86 23.733 -5.148 -0.158 699 HH12 ARG 86 HH12 ARG 86 25.084 -5.391 0.902 700 HH21 ARG 86 HH21 ARG 86 26.024 -8.461 -0.503 701 HH22 ARG 86 HH22 ARG 86 26.396 -7.260 0.692 702 H LEU 87 H LEU 87 18.765 -9.582 -1.248 703 HA LEU 87 HA LEU 87 19.338 -11.950 0.174 704 HB2 LEU 87 HB2 LEU 87 16.963 -10.152 -0.011 705 HB3 LEU 87 HB3 LEU 87 16.792 -11.705 0.784 706 HG LEU 87 HG LEU 87 18.718 -11.029 2.278 707 HD11 LEU 87 HD11 LEU 87 19.130 -8.618 2.502 708 HD12 LEU 87 HD12 LEU 87 18.169 -8.335 1.050 709 HD13 LEU 87 HD13 LEU 87 19.669 -9.256 0.947 710 HD21 LEU 87 HD21 LEU 87 17.298 -9.647 3.701 711 HD22 LEU 87 HD22 LEU 87 16.423 -11.018 3.018 712 HD23 LEU 87 HD23 LEU 87 16.192 -9.402 2.349 713 H PHE 88 H PHE 88 17.178 -11.262 -2.517 714 HA PHE 88 HA PHE 88 15.886 -13.694 -2.765 715 HB2 PHE 88 HB2 PHE 88 15.084 -12.028 -4.164 716 HB3 PHE 88 HB3 PHE 88 16.693 -11.542 -4.679 717 HD1 PHE 88 HD1 PHE 88 14.130 -14.199 -5.057 718 HD2 PHE 88 HD2 PHE 88 17.624 -12.352 -6.639 719 HE1 PHE 88 HE1 PHE 88 13.875 -15.494 -7.138 720 HE2 PHE 88 HE2 PHE 88 17.378 -13.643 -8.712 721 HZ PHE 88 HZ PHE 88 15.504 -15.210 -8.963 722 H GLU 89 H GLU 89 19.005 -12.693 -4.166 723 HA GLU 89 HA GLU 89 19.569 -15.160 -5.439 724 HB2 GLU 89 HB2 GLU 89 21.483 -13.073 -4.379 725 HB3 GLU 89 HB3 GLU 89 21.885 -14.347 -5.514 726 HG2 GLU 89 HG2 GLU 89 20.401 -13.366 -7.172 727 HG3 GLU 89 HG3 GLU 89 19.919 -12.134 -6.005 728 H GLU 90 H GLU 90 20.195 -13.907 -2.209 729 HA GLU 90 HA GLU 90 22.215 -15.812 -1.588 730 HB2 GLU 90 HB2 GLU 90 20.694 -13.731 -0.093 731 HB3 GLU 90 HB3 GLU 90 21.691 -14.885 0.793 732 HG2 GLU 90 HG2 GLU 90 22.550 -12.878 -1.267 733 HG3 GLU 90 HG3 GLU 90 23.007 -12.957 0.435 734 H PHE 91 H PHE 91 18.745 -15.666 -1.011 735 HA PHE 91 HA PHE 91 18.946 -18.231 0.431 736 HB2 PHE 91 HB2 PHE 91 16.739 -16.167 0.523 737 HB3 PHE 91 HB3 PHE 91 16.774 -17.668 1.440 738 HD1 PHE 91 HD1 PHE 91 18.723 -17.991 3.076 739 HD2 PHE 91 HD2 PHE 91 17.651 -14.228 1.407 740 HE1 PHE 91 HE1 PHE 91 19.908 -16.848 4.904 741 HE2 PHE 91 HE2 PHE 91 18.836 -13.077 3.230 742 HZ PHE 91 HZ PHE 91 19.966 -14.390 4.979 743 H ARG 92 H ARG 92 18.751 -17.586 -2.524 744 HA ARG 92 HA ARG 92 16.144 -18.218 -3.438 745 HB2 ARG 92 HB2 ARG 92 18.025 -16.997 -4.650 746 HB3 ARG 92 HB3 ARG 92 18.689 -18.587 -4.992 747 HG2 ARG 92 HG2 ARG 92 16.531 -19.168 -6.087 748 HG3 ARG 92 HG3 ARG 92 16.048 -17.480 -5.883 749 HD2 ARG 92 HD2 ARG 92 16.994 -17.877 -8.090 750 HD3 ARG 92 HD3 ARG 92 17.974 -16.751 -7.167 751 HE ARG 92 HE ARG 92 18.802 -19.511 -7.003 752 HH11 ARG 92 HH11 ARG 92 19.122 -16.539 -8.826 753 HH12 ARG 92 HH12 ARG 92 20.743 -16.885 -9.336 754 HH21 ARG 92 HH21 ARG 92 20.938 -19.957 -7.662 755 HH22 ARG 92 HH22 ARG 92 21.769 -18.836 -8.693 756 H ASP 93 H ASP 93 18.974 -20.111 -2.751 757 HA ASP 93 HA ASP 93 18.088 -22.496 -4.064 758 HB2 ASP 93 HB2 ASP 93 20.064 -23.532 -3.069 759 HB3 ASP 93 HB3 ASP 93 20.476 -21.978 -3.787 760 H SER 94 H SER 94 16.509 -21.235 -1.716 761 HA SER 94 HA SER 94 16.331 -23.677 -0.097 762 HB2 SER 94 HB2 SER 94 15.091 -22.328 1.541 763 HB3 SER 94 HB3 SER 94 16.655 -21.600 1.190 764 HG SER 94 HG SER 94 15.586 -20.142 -0.208 765 H ASP 95 H ASP 95 13.876 -23.917 0.706 766 HA ASP 95 HA ASP 95 12.436 -24.584 -1.676 767 HB2 ASP 95 HB2 ASP 95 11.608 -24.707 1.233 768 HB3 ASP 95 HB3 ASP 95 10.665 -25.360 -0.101 769 H ASP 96 H ASP 96 12.434 -21.981 0.576 770 HA ASP 96 HA ASP 96 10.476 -20.564 -1.055 771 HB2 ASP 96 HB2 ASP 96 9.172 -21.528 0.786 772 HB3 ASP 96 HB3 ASP 96 10.284 -20.828 1.955 773 H VAL 97 H VAL 97 11.853 -19.038 -1.788 774 HA VAL 97 HA VAL 97 13.954 -17.987 -0.157 775 HB VAL 97 HB VAL 97 14.289 -18.229 -2.554 776 HG11 VAL 97 HG11 VAL 97 12.044 -17.791 -3.356 777 HG12 VAL 97 HG12 VAL 97 13.212 -16.745 -4.165 778 HG13 VAL 97 HG13 VAL 97 12.188 -16.098 -2.881 779 HG21 VAL 97 HG21 VAL 97 14.336 -15.330 -1.726 780 HG22 VAL 97 HG22 VAL 97 15.265 -16.052 -3.046 781 HG23 VAL 97 HG23 VAL 97 15.583 -16.528 -1.376 782 H LEU 98 H LEU 98 10.722 -16.935 -0.998 783 HA LEU 98 HA LEU 98 11.115 -14.184 -0.509 784 HB2 LEU 98 HB2 LEU 98 8.610 -15.839 -0.556 785 HB3 LEU 98 HB3 LEU 98 8.610 -14.100 -0.342 786 HG LEU 98 HG LEU 98 9.986 -14.141 -2.589 787 HD11 LEU 98 HD11 LEU 98 9.212 -15.909 -4.089 788 HD12 LEU 98 HD12 LEU 98 8.403 -16.699 -2.736 789 HD13 LEU 98 HD13 LEU 98 10.161 -16.559 -2.752 790 HD21 LEU 98 HD21 LEU 98 7.017 -14.611 -2.500 791 HD22 LEU 98 HD22 LEU 98 7.920 -13.806 -3.783 792 HD23 LEU 98 HD23 LEU 98 7.814 -13.071 -2.183 793 H GLY 99 H GLY 99 10.025 -16.818 1.597 794 HA2 GLY 99 HA2 GLY 99 9.197 -15.236 3.767 795 HA3 GLY 99 HA3 GLY 99 9.784 -16.895 3.880 796 H HIS 100 H HIS 100 12.372 -16.316 2.772 797 HA HIS 100 HA HIS 100 13.685 -15.453 5.169 798 HB2 HIS 100 HB2 HIS 100 14.813 -16.114 2.439 799 HB3 HIS 100 HB3 HIS 100 15.768 -15.857 3.895 800 HD1 HIS 100 HD1 HIS 100 15.029 -18.547 1.967 801 HD2 HIS 100 HD2 HIS 100 14.240 -17.795 5.975 802 HE1 HIS 100 HE1 HIS 100 14.769 -20.799 3.037 803 HE2 HIS 100 HE2 HIS 100 14.485 -20.324 5.489 804 H ILE 101 H ILE 101 12.735 -14.030 2.172 805 HA ILE 101 HA ILE 101 14.455 -11.772 2.223 806 HB ILE 101 HB ILE 101 11.773 -12.157 0.870 807 HG12 ILE 101 HG12 ILE 101 14.606 -12.337 -0.202 808 HG13 ILE 101 HG13 ILE 101 13.535 -13.700 0.099 809 HG21 ILE 101 HG21 ILE 101 12.403 -10.223 -0.518 810 HG22 ILE 101 HG22 ILE 101 13.845 -9.988 0.469 811 HG23 ILE 101 HG23 ILE 101 12.245 -9.786 1.183 812 HD11 ILE 101 HD11 ILE 101 13.561 -13.222 -2.245 813 HD12 ILE 101 HD12 ILE 101 13.165 -11.530 -1.948 814 HD13 ILE 101 HD13 ILE 101 11.980 -12.785 -1.597 815 H MET 102 H MET 102 10.952 -12.000 2.855 816 HA MET 102 HA MET 102 10.754 -9.356 3.804 817 HB2 MET 102 HB2 MET 102 8.497 -10.244 4.759 818 HB3 MET 102 HB3 MET 102 8.733 -10.144 3.019 819 HG2 MET 102 HG2 MET 102 9.018 -12.456 2.815 820 HG3 MET 102 HG3 MET 102 9.261 -12.660 4.532 821 HE1 MET 102 HE1 MET 102 5.198 -11.758 2.578 822 HE2 MET 102 HE2 MET 102 6.687 -12.041 1.678 823 HE3 MET 102 HE3 MET 102 6.509 -10.581 2.654 824 H LYS 103 H LYS 103 11.716 -12.248 5.423 825 HA LYS 103 HA LYS 103 11.129 -11.179 8.050 826 HB2 LYS 103 HB2 LYS 103 12.101 -13.762 6.993 827 HB3 LYS 103 HB3 LYS 103 12.666 -13.320 8.597 828 HG2 LYS 103 HG2 LYS 103 10.673 -14.684 8.739 829 HG3 LYS 103 HG3 LYS 103 10.358 -13.059 9.347 830 HD2 LYS 103 HD2 LYS 103 9.325 -12.476 7.191 831 HD3 LYS 103 HD3 LYS 103 9.603 -14.125 6.625 832 HE2 LYS 103 HE2 LYS 103 7.314 -13.881 7.383 833 HE3 LYS 103 HE3 LYS 103 8.193 -14.964 8.460 834 HZ1 LYS 103 HZ1 LYS 103 6.826 -13.402 9.692 835 HZ2 LYS 103 HZ2 LYS 103 7.629 -12.097 8.976 836 HZ3 LYS 103 HZ3 LYS 103 8.465 -13.135 10.014 837 H ASN 104 H ASN 104 13.927 -11.448 5.937 838 HA ASN 104 HA ASN 104 15.694 -10.684 8.135 839 HB2 ASN 104 HB2 ASN 104 16.364 -12.497 6.550 840 HB3 ASN 104 HB3 ASN 104 16.450 -11.291 5.270 841 HD21 ASN 104 HD21 ASN 104 18.179 -9.854 5.229 842 HD22 ASN 104 HD22 ASN 104 19.558 -10.028 6.252 843 H ILE 105 H ILE 105 14.043 -9.207 5.506 844 HA ILE 105 HA ILE 105 15.895 -6.962 5.453 845 HB ILE 105 HB ILE 105 14.903 -7.798 3.345 846 HG12 ILE 105 HG12 ILE 105 14.342 -5.553 2.426 847 HG13 ILE 105 HG13 ILE 105 14.321 -4.933 4.073 848 HG21 ILE 105 HG21 ILE 105 12.602 -7.181 2.757 849 HG22 ILE 105 HG22 ILE 105 12.349 -6.601 4.403 850 HG23 ILE 105 HG23 ILE 105 12.650 -8.313 4.109 851 HD11 ILE 105 HD11 ILE 105 16.414 -4.444 2.900 852 HD12 ILE 105 HD12 ILE 105 16.705 -6.175 2.718 853 HD13 ILE 105 HD13 ILE 105 16.669 -5.450 4.325 854 H THR 106 H THR 106 15.245 -4.824 5.822 855 HA THR 106 HA THR 106 13.831 -4.593 8.267 856 HB THR 106 HB THR 106 15.867 -3.309 7.580 857 HG1 THR 106 HG1 THR 106 15.291 -1.719 8.939 858 HG21 THR 106 HG21 THR 106 15.550 -1.241 6.294 859 HG22 THR 106 HG22 THR 106 13.882 -1.707 5.970 860 HG23 THR 106 HG23 THR 106 15.208 -2.678 5.329 861 H ALA 107 H ALA 107 13.039 -3.934 4.916 862 HA ALA 107 HA ALA 107 10.597 -2.533 5.615 863 HB1 ALA 107 HB1 ALA 107 11.827 -1.791 3.650 864 HB2 ALA 107 HB2 ALA 107 10.244 -2.412 3.178 865 HB3 ALA 107 HB3 ALA 107 11.684 -3.398 2.935 866 H LYS 108 H LYS 108 8.678 -3.523 5.906 867 HA LYS 108 HA LYS 108 8.544 -6.384 5.499 868 HB2 LYS 108 HB2 LYS 108 6.353 -4.516 6.418 869 HB3 LYS 108 HB3 LYS 108 6.365 -6.265 6.555 870 HG2 LYS 108 HG2 LYS 108 8.338 -4.467 7.946 871 HG3 LYS 108 HG3 LYS 108 6.835 -5.027 8.671 872 HD2 LYS 108 HD2 LYS 108 8.298 -6.595 9.490 873 HD3 LYS 108 HD3 LYS 108 7.778 -7.397 8.010 874 HE2 LYS 108 HE2 LYS 108 9.786 -6.850 6.894 875 HE3 LYS 108 HE3 LYS 108 10.237 -5.667 8.118 876 HZ1 LYS 108 HZ1 LYS 108 10.542 -7.473 9.691 877 HZ2 LYS 108 HZ2 LYS 108 11.513 -7.699 8.327 878 HZ3 LYS 108 HZ3 LYS 108 10.100 -8.609 8.512 879 H ARG 109 H ARG 109 8.451 -6.934 3.454 880 HA ARG 109 HA ARG 109 6.465 -5.610 1.736 881 HB2 ARG 109 HB2 ARG 109 8.732 -7.319 0.745 882 HB3 ARG 109 HB3 ARG 109 7.784 -6.128 -0.137 883 HG2 ARG 109 HG2 ARG 109 8.842 -4.330 1.072 884 HG3 ARG 109 HG3 ARG 109 9.726 -5.486 2.074 885 HD2 ARG 109 HD2 ARG 109 10.694 -6.387 -0.100 886 HD3 ARG 109 HD3 ARG 109 10.044 -4.937 -0.865 887 HE ARG 109 HE ARG 109 11.433 -3.717 0.906 888 HH11 ARG 109 HH11 ARG 109 12.363 -6.778 -0.520 889 HH12 ARG 109 HH12 ARG 109 14.060 -6.507 -0.310 890 HH21 ARG 109 HH21 ARG 109 13.679 -3.356 1.183 891 HH22 ARG 109 HH22 ARG 109 14.809 -4.552 0.646 892 H SER 110 H SER 110 4.887 -6.815 0.895 893 HA SER 110 HA SER 110 4.569 -9.460 2.055 894 HB2 SER 110 HB2 SER 110 2.711 -7.818 2.129 895 HB3 SER 110 HB3 SER 110 2.641 -7.823 0.368 896 HG SER 110 HG SER 110 2.098 -9.986 2.127 897 H ARG 111 H ARG 111 3.469 -11.149 0.619 898 HA ARG 111 HA ARG 111 5.441 -12.063 -1.124 899 HB2 ARG 111 HB2 ARG 111 2.597 -12.941 -0.676 900 HB3 ARG 111 HB3 ARG 111 3.686 -13.790 -1.767 901 HG2 ARG 111 HG2 ARG 111 4.260 -13.305 1.147 902 HG3 ARG 111 HG3 ARG 111 3.533 -14.781 0.507 903 HD2 ARG 111 HD2 ARG 111 5.494 -15.199 -0.843 904 HD3 ARG 111 HD3 ARG 111 6.208 -13.675 -0.332 905 HE ARG 111 HE ARG 111 6.279 -14.647 1.943 906 HH11 ARG 111 HH11 ARG 111 6.132 -16.780 -0.848 907 HH12 ARG 111 HH12 ARG 111 6.922 -18.099 -0.029 908 HH21 ARG 111 HH21 ARG 111 7.274 -16.405 3.006 909 HH22 ARG 111 HH22 ARG 111 7.588 -17.870 2.132 910 H ALA 112 H ALA 112 2.172 -10.879 -1.956 911 HA ALA 112 HA ALA 112 2.410 -11.208 -4.723 912 HB1 ALA 112 HB1 ALA 112 0.276 -10.820 -3.627 913 HB2 ALA 112 HB2 ALA 112 0.544 -9.625 -4.897 914 HB3 ALA 112 HB3 ALA 112 0.771 -9.181 -3.205 915 H ARG 113 H ARG 113 3.684 -8.787 -2.627 916 HA ARG 113 HA ARG 113 4.155 -6.881 -4.757 917 HB2 ARG 113 HB2 ARG 113 3.490 -5.994 -2.636 918 HB3 ARG 113 HB3 ARG 113 4.744 -6.886 -1.799 919 HG2 ARG 113 HG2 ARG 113 5.086 -4.403 -2.078 920 HG3 ARG 113 HG3 ARG 113 6.425 -5.447 -2.542 921 HD2 ARG 113 HD2 ARG 113 5.887 -3.511 -4.076 922 HD3 ARG 113 HD3 ARG 113 6.053 -5.096 -4.829 923 HE ARG 113 HE ARG 113 3.385 -4.025 -4.195 924 HH11 ARG 113 HH11 ARG 113 5.743 -5.171 -6.527 925 HH12 ARG 113 HH12 ARG 113 4.644 -5.122 -7.866 926 HH21 ARG 113 HH21 ARG 113 1.936 -3.953 -5.976 927 HH22 ARG 113 HH22 ARG 113 2.486 -4.412 -7.556 928 H ILE 114 H ILE 114 5.999 -9.164 -2.798 929 HA ILE 114 HA ILE 114 8.538 -8.417 -3.850 930 HB ILE 114 HB ILE 114 7.641 -10.950 -2.474 931 HG12 ILE 114 HG12 ILE 114 9.257 -8.592 -1.470 932 HG13 ILE 114 HG13 ILE 114 7.552 -8.860 -1.130 933 HG21 ILE 114 HG21 ILE 114 10.419 -10.045 -3.217 934 HG22 ILE 114 HG22 ILE 114 9.569 -11.464 -3.828 935 HG23 ILE 114 HG23 ILE 114 10.054 -11.387 -2.134 936 HD11 ILE 114 HD11 ILE 114 9.816 -10.671 -0.289 937 HD12 ILE 114 HD12 ILE 114 8.107 -10.926 0.065 938 HD13 ILE 114 HD13 ILE 114 8.953 -9.539 0.751 939 H VAL 115 H VAL 115 6.261 -11.067 -4.649 940 HA VAL 115 HA VAL 115 7.897 -12.268 -6.602 941 HB VAL 115 HB VAL 115 5.876 -13.349 -7.489 942 HG11 VAL 115 HG11 VAL 115 6.958 -14.304 -5.537 943 HG12 VAL 115 HG12 VAL 115 5.214 -14.550 -5.473 944 HG13 VAL 115 HG13 VAL 115 5.965 -13.302 -4.480 945 HG21 VAL 115 HG21 VAL 115 4.286 -11.533 -7.317 946 HG22 VAL 115 HG22 VAL 115 4.378 -11.587 -5.555 947 HG23 VAL 115 HG23 VAL 115 3.688 -12.945 -6.446 948 H ASP 116 H ASP 116 5.499 -9.708 -6.815 949 HA ASP 116 HA ASP 116 5.389 -9.529 -9.620 950 HB2 ASP 116 HB2 ASP 116 3.721 -8.548 -8.074 951 HB3 ASP 116 HB3 ASP 116 4.921 -7.373 -7.558 952 H LYS 117 H LYS 117 7.518 -8.110 -7.218 953 HA LYS 117 HA LYS 117 8.692 -6.219 -8.989 954 HB2 LYS 117 HB2 LYS 117 8.682 -5.878 -6.561 955 HB3 LYS 117 HB3 LYS 117 9.712 -7.287 -6.354 956 HG2 LYS 117 HG2 LYS 117 10.985 -5.227 -6.180 957 HG3 LYS 117 HG3 LYS 117 11.503 -6.176 -7.572 958 HD2 LYS 117 HD2 LYS 117 10.115 -4.738 -9.026 959 HD3 LYS 117 HD3 LYS 117 9.682 -3.766 -7.618 960 HE2 LYS 117 HE2 LYS 117 12.018 -3.183 -7.281 961 HE3 LYS 117 HE3 LYS 117 12.485 -4.203 -8.640 962 HZ1 LYS 117 HZ1 LYS 117 11.111 -2.752 -10.074 963 HZ2 LYS 117 HZ2 LYS 117 12.424 -1.955 -9.364 964 HZ3 LYS 117 HZ3 LYS 117 10.862 -1.720 -8.754 965 H LEU 118 H LEU 118 9.606 -9.496 -7.924 966 HA LEU 118 HA LEU 118 12.098 -9.659 -9.178 967 HB2 LEU 118 HB2 LEU 118 10.028 -11.841 -9.067 968 HB3 LEU 118 HB3 LEU 118 11.731 -12.057 -9.392 969 HG LEU 118 HG LEU 118 10.389 -11.418 -6.785 970 HD11 LEU 118 HD11 LEU 118 10.630 -13.743 -7.483 971 HD12 LEU 118 HD12 LEU 118 11.656 -13.392 -6.090 972 HD13 LEU 118 HD13 LEU 118 12.363 -13.505 -7.708 973 HD21 LEU 118 HD21 LEU 118 12.325 -9.876 -7.098 974 HD22 LEU 118 HD22 LEU 118 13.356 -11.292 -7.309 975 HD23 LEU 118 HD23 LEU 118 12.529 -11.023 -5.775 976 H LEU 119 H LEU 119 8.879 -10.328 -10.434 977 HA LEU 119 HA LEU 119 9.646 -11.142 -13.010 978 HB2 LEU 119 HB2 LEU 119 7.118 -10.175 -11.745 979 HB3 LEU 119 HB3 LEU 119 7.192 -10.289 -13.493 980 HG LEU 119 HG LEU 119 6.173 -12.289 -12.471 981 HD11 LEU 119 HD11 LEU 119 7.467 -13.936 -13.698 982 HD12 LEU 119 HD12 LEU 119 8.829 -12.821 -13.788 983 HD13 LEU 119 HD13 LEU 119 7.321 -12.441 -14.621 984 HD21 LEU 119 HD21 LEU 119 7.639 -13.899 -11.275 985 HD22 LEU 119 HD22 LEU 119 7.349 -12.414 -10.370 986 HD23 LEU 119 HD23 LEU 119 8.887 -12.655 -11.199 987 H ALA 120 H ALA 120 9.102 -8.019 -11.599 988 HA ALA 120 HA ALA 120 9.026 -6.651 -14.143 989 HB1 ALA 120 HB1 ALA 120 9.145 -5.501 -11.361 990 HB2 ALA 120 HB2 ALA 120 7.662 -5.941 -12.207 991 HB3 ALA 120 HB3 ALA 120 8.690 -4.654 -12.841 992 H LEU 121 H LEU 121 11.367 -7.513 -11.756 993 HA LEU 121 HA LEU 121 13.329 -5.608 -12.730 994 HB2 LEU 121 HB2 LEU 121 13.175 -5.885 -10.363 995 HB3 LEU 121 HB3 LEU 121 13.283 -7.627 -10.497 996 HG LEU 121 HG LEU 121 15.597 -7.429 -11.224 997 HD11 LEU 121 HD11 LEU 121 15.495 -5.236 -12.294 998 HD12 LEU 121 HD12 LEU 121 16.768 -5.281 -11.075 999 HD13 LEU 121 HD13 LEU 121 15.239 -4.474 -10.725 1000 HD21 LEU 121 HD21 LEU 121 15.026 -5.929 -8.678 1001 HD22 LEU 121 HD22 LEU 121 16.520 -6.778 -9.076 1002 HD23 LEU 121 HD23 LEU 121 15.020 -7.681 -8.853 1003 H GLY 122 H GLY 122 12.279 -8.755 -13.372 1004 HA2 GLY 122 HA2 GLY 122 13.018 -10.216 -15.000 1005 HA3 GLY 122 HA3 GLY 122 14.380 -9.142 -15.296 1006 H LEU 123 H LEU 123 13.538 -10.502 -12.175 1007 HA LEU 123 HA LEU 123 16.137 -11.759 -12.013 1008 HB2 LEU 123 HB2 LEU 123 13.866 -11.462 -10.066 1009 HB3 LEU 123 HB3 LEU 123 15.313 -12.390 -9.699 1010 HG LEU 123 HG LEU 123 15.156 -9.429 -10.262 1011 HD11 LEU 123 HD11 LEU 123 15.788 -11.024 -7.794 1012 HD12 LEU 123 HD12 LEU 123 14.447 -9.904 -8.050 1013 HD13 LEU 123 HD13 LEU 123 16.099 -9.298 -7.957 1014 HD21 LEU 123 HD21 LEU 123 17.183 -10.314 -11.259 1015 HD22 LEU 123 HD22 LEU 123 17.579 -11.151 -9.758 1016 HD23 LEU 123 HD23 LEU 123 17.569 -9.388 -9.809 1017 H VAL 124 H VAL 124 12.919 -12.576 -12.722 1018 HA VAL 124 HA VAL 124 13.640 -15.365 -13.168 1019 HB VAL 124 HB VAL 124 11.487 -16.114 -12.115 1020 HG11 VAL 124 HG11 VAL 124 13.545 -14.892 -10.283 1021 HG12 VAL 124 HG12 VAL 124 13.618 -16.496 -11.013 1022 HG13 VAL 124 HG13 VAL 124 12.370 -16.123 -9.825 1023 HG21 VAL 124 HG21 VAL 124 10.271 -14.078 -11.985 1024 HG22 VAL 124 HG22 VAL 124 11.551 -13.300 -11.056 1025 HG23 VAL 124 HG23 VAL 124 10.591 -14.585 -10.326 1026 H ALA 125 H ALA 125 11.410 -16.432 -13.985 1027 HA ALA 125 HA ALA 125 10.374 -14.616 -16.063 1028 HB1 ALA 125 HB1 ALA 125 10.796 -17.602 -16.211 1029 HB2 ALA 125 HB2 ALA 125 11.772 -16.369 -17.011 1030 HB3 ALA 125 HB3 ALA 125 10.088 -16.603 -17.481 1031 H GLU 126 H GLU 126 9.615 -16.190 -13.282 1032 HA GLU 126 HA GLU 126 6.823 -15.890 -13.445 1033 HB2 GLU 126 HB2 GLU 126 6.215 -18.301 -13.424 1034 HB3 GLU 126 HB3 GLU 126 6.912 -17.783 -14.955 1035 HG2 GLU 126 HG2 GLU 126 9.128 -18.627 -14.045 1036 HG3 GLU 126 HG3 GLU 126 8.184 -19.417 -12.787 1037 H ARG 127 H ARG 127 5.755 -17.102 -11.538 1038 HA ARG 127 HA ARG 127 7.399 -16.654 -9.223 1039 HB2 ARG 127 HB2 ARG 127 4.545 -17.575 -9.502 1040 HB3 ARG 127 HB3 ARG 127 5.348 -17.412 -7.949 1041 HG2 ARG 127 HG2 ARG 127 4.205 -15.416 -8.154 1042 HG3 ARG 127 HG3 ARG 127 5.826 -14.994 -8.703 1043 HD2 ARG 127 HD2 ARG 127 5.138 -15.200 -11.006 1044 HD3 ARG 127 HD3 ARG 127 3.538 -15.741 -10.502 1045 HE ARG 127 HE ARG 127 3.682 -13.351 -9.325 1046 HH11 ARG 127 HH11 ARG 127 4.378 -14.351 -12.607 1047 HH12 ARG 127 HH12 ARG 127 4.005 -12.801 -13.294 1048 HH21 ARG 127 HH21 ARG 127 3.166 -11.316 -10.233 1049 HH22 ARG 127 HH22 ARG 127 3.334 -11.078 -11.945 1050 H ARG 128 H ARG 128 6.646 -19.345 -11.169 1051 HA ARG 128 HA ARG 128 6.717 -21.458 -9.329 1052 HB2 ARG 128 HB2 ARG 128 6.051 -21.721 -11.684 1053 HB3 ARG 128 HB3 ARG 128 7.707 -21.408 -12.184 1054 HG2 ARG 128 HG2 ARG 128 8.230 -23.440 -10.610 1055 HG3 ARG 128 HG3 ARG 128 6.536 -23.828 -10.919 1056 HD2 ARG 128 HD2 ARG 128 8.787 -23.572 -12.897 1057 HD3 ARG 128 HD3 ARG 128 7.788 -24.982 -12.561 1058 HE ARG 128 HE ARG 128 6.692 -22.538 -13.806 1059 HH11 ARG 128 HH11 ARG 128 7.207 -26.011 -13.816 1060 HH12 ARG 128 HH12 ARG 128 6.118 -26.284 -15.139 1061 HH21 ARG 128 HH21 ARG 128 5.281 -22.913 -15.548 1062 HH22 ARG 128 HH22 ARG 128 5.023 -24.529 -16.124 1063 H GLU 129 H GLU 129 9.245 -19.607 -10.839 1064 HA GLU 129 HA GLU 129 11.321 -21.493 -10.270 1065 HB2 GLU 129 HB2 GLU 129 11.383 -18.667 -11.316 1066 HB3 GLU 129 HB3 GLU 129 12.782 -19.721 -11.211 1067 HG2 GLU 129 HG2 GLU 129 10.323 -20.119 -12.885 1068 HG3 GLU 129 HG3 GLU 129 11.958 -19.773 -13.450 1069 H LEU 130 H LEU 130 9.744 -19.280 -8.361 1070 HA LEU 130 HA LEU 130 12.062 -18.268 -6.956 1071 HB2 LEU 130 HB2 LEU 130 9.367 -18.028 -5.754 1072 HB3 LEU 130 HB3 LEU 130 10.645 -16.845 -5.854 1073 HG LEU 130 HG LEU 130 8.651 -17.576 -7.980 1074 HD11 LEU 130 HD11 LEU 130 8.053 -15.207 -7.817 1075 HD12 LEU 130 HD12 LEU 130 9.212 -15.023 -6.500 1076 HD13 LEU 130 HD13 LEU 130 7.811 -16.078 -6.302 1077 HD21 LEU 130 HD21 LEU 130 10.988 -15.697 -8.249 1078 HD22 LEU 130 HD22 LEU 130 9.695 -15.947 -9.431 1079 HD23 LEU 130 HD23 LEU 130 10.811 -17.261 -9.054 1080 H TYR 131 H TYR 131 10.330 -21.063 -6.967 1081 HA TYR 131 HA TYR 131 10.951 -21.677 -4.164 1082 HB2 TYR 131 HB2 TYR 131 8.582 -22.692 -5.757 1083 HB3 TYR 131 HB3 TYR 131 8.918 -23.019 -4.060 1084 HD1 TYR 131 HD1 TYR 131 8.477 -21.339 -2.360 1085 HD2 TYR 131 HD2 TYR 131 7.724 -20.506 -6.465 1086 HE1 TYR 131 HE1 TYR 131 7.164 -19.364 -1.718 1087 HE2 TYR 131 HE2 TYR 131 6.400 -18.533 -5.836 1088 HH TYR 131 HH TYR 131 5.124 -17.738 -3.843 1089 H LYS 132 H LYS 132 12.133 -23.477 -3.877 1090 HA LYS 132 HA LYS 132 13.658 -24.600 -5.837 1091 HB2 LYS 132 HB2 LYS 132 14.088 -24.875 -3.439 1092 HB3 LYS 132 HB3 LYS 132 12.722 -25.974 -3.314 1093 HG2 LYS 132 HG2 LYS 132 13.824 -27.577 -4.741 1094 HG3 LYS 132 HG3 LYS 132 15.164 -26.464 -5.008 1095 HD2 LYS 132 HD2 LYS 132 14.375 -27.627 -2.338 1096 HD3 LYS 132 HD3 LYS 132 15.701 -28.204 -3.346 1097 HE2 LYS 132 HE2 LYS 132 16.683 -25.909 -3.215 1098 HE3 LYS 132 HE3 LYS 132 15.435 -25.507 -2.039 1099 HZ1 LYS 132 HZ1 LYS 132 16.274 -27.296 -0.626 1100 HZ2 LYS 132 HZ2 LYS 132 17.460 -26.130 -0.929 1101 HZ3 LYS 132 HZ3 LYS 132 17.503 -27.614 -1.740 1102 H LYS 133 H LYS 133 13.503 -26.198 -7.324 1103 HA LYS 133 HA LYS 133 10.996 -27.701 -7.468 1104 HB2 LYS 133 HB2 LYS 133 10.681 -27.080 -9.817 1105 HB3 LYS 133 HB3 LYS 133 10.638 -25.663 -8.778 1106 HG2 LYS 133 HG2 LYS 133 13.237 -26.405 -10.008 1107 HG3 LYS 133 HG3 LYS 133 11.996 -25.698 -11.043 1108 HD2 LYS 133 HD2 LYS 133 11.922 -23.712 -9.746 1109 HD3 LYS 133 HD3 LYS 133 12.869 -24.440 -8.448 1110 HE2 LYS 133 HE2 LYS 133 14.848 -24.348 -9.677 1111 HE3 LYS 133 HE3 LYS 133 13.997 -24.172 -11.211 1112 HZ1 LYS 133 HZ1 LYS 133 13.503 -21.955 -10.765 1113 HZ2 LYS 133 HZ2 LYS 133 15.114 -22.119 -10.268 1114 HZ3 LYS 133 HZ3 LYS 133 13.879 -22.084 -9.116 1115 H ARG 134 H ARG 134 11.119 -29.645 -8.480 1116 HA ARG 134 HA ARG 134 13.631 -30.322 -9.859 1117 HB2 ARG 134 HB2 ARG 134 11.835 -32.116 -8.217 1118 HB3 ARG 134 HB3 ARG 134 13.033 -32.740 -9.339 1119 HG2 ARG 134 HG2 ARG 134 13.980 -32.810 -7.162 1120 HG3 ARG 134 HG3 ARG 134 14.776 -31.504 -8.039 1121 HD2 ARG 134 HD2 ARG 134 14.246 -30.800 -5.781 1122 HD3 ARG 134 HD3 ARG 134 13.299 -29.885 -6.960 1123 HE ARG 134 HE ARG 134 11.864 -32.161 -6.040 1124 HH11 ARG 134 HH11 ARG 134 12.836 -28.946 -5.101 1125 HH12 ARG 134 HH12 ARG 134 11.498 -28.705 -4.028 1126 HH21 ARG 134 HH21 ARG 134 10.087 -31.853 -4.635 1127 HH22 ARG 134 HH22 ARG 134 9.935 -30.365 -3.753 1128 H GLN 135 H GLN 135 12.928 -29.685 -11.849 1129 HA GLN 135 HA GLN 135 10.556 -31.074 -12.909 1130 HB2 GLN 135 HB2 GLN 135 9.815 -29.028 -13.997 1131 HB3 GLN 135 HB3 GLN 135 9.961 -28.765 -12.266 1132 HG2 GLN 135 HG2 GLN 135 12.165 -27.707 -12.656 1133 HG3 GLN 135 HG3 GLN 135 11.901 -27.883 -14.390 1134 HE21 GLN 135 HE21 GLN 135 12.305 -25.455 -12.910 1135 HE22 GLN 135 HE22 GLN 135 10.896 -24.476 -13.138 1136 H LYS 136 H LYS 136 10.429 -31.059 -15.289 1137 HA LYS 136 HA LYS 136 13.100 -31.123 -16.518 1138 HB2 LYS 136 HB2 LYS 136 11.998 -32.457 -18.316 1139 HB3 LYS 136 HB3 LYS 136 11.910 -33.221 -16.737 1140 HG2 LYS 136 HG2 LYS 136 9.606 -32.509 -16.493 1141 HG3 LYS 136 HG3 LYS 136 9.684 -31.663 -18.039 1142 HD2 LYS 136 HD2 LYS 136 10.183 -33.842 -19.131 1143 HD3 LYS 136 HD3 LYS 136 9.931 -34.634 -17.575 1144 HE2 LYS 136 HE2 LYS 136 7.924 -34.794 -18.915 1145 HE3 LYS 136 HE3 LYS 136 7.635 -33.752 -17.522 1146 HZ1 LYS 136 HZ1 LYS 136 8.238 -32.809 -20.272 1147 HZ2 LYS 136 HZ2 LYS 136 7.905 -31.827 -18.936 1148 HZ3 LYS 136 HZ3 LYS 136 6.703 -32.832 -19.564 1149 H LYS 137 H LYS 137 12.473 -28.674 -16.162 1150 HA LYS 137 HA LYS 137 11.571 -27.597 -18.693 1151 HB2 LYS 137 HB2 LYS 137 9.466 -27.777 -17.580 1152 HB3 LYS 137 HB3 LYS 137 10.129 -27.181 -16.071 1153 HG2 LYS 137 HG2 LYS 137 10.144 -25.371 -18.438 1154 HG3 LYS 137 HG3 LYS 137 8.618 -25.674 -17.599 1155 HD2 LYS 137 HD2 LYS 137 9.678 -25.009 -15.483 1156 HD3 LYS 137 HD3 LYS 137 11.172 -24.665 -16.353 1157 HE2 LYS 137 HE2 LYS 137 9.852 -23.022 -17.731 1158 HE3 LYS 137 HE3 LYS 137 8.524 -23.260 -16.593 1159 HZ1 LYS 137 HZ1 LYS 137 9.756 -21.360 -15.911 1160 HZ2 LYS 137 HZ2 LYS 137 11.228 -22.204 -15.992 1161 HZ3 LYS 137 HZ3 LYS 137 10.095 -22.599 -14.799 1162 H LEU 138 H LEU 138 12.221 -25.456 -19.020 1163 HA LEU 138 HA LEU 138 14.737 -24.752 -18.266 1164 HB2 LEU 138 HB2 LEU 138 12.488 -22.873 -18.970 1165 HB3 LEU 138 HB3 LEU 138 14.191 -22.461 -19.000 1166 HG LEU 138 HG LEU 138 12.997 -24.639 -20.707 1167 HD11 LEU 138 HD11 LEU 138 11.926 -22.548 -21.275 1168 HD12 LEU 138 HD12 LEU 138 13.066 -23.007 -22.541 1169 HD13 LEU 138 HD13 LEU 138 13.494 -21.747 -21.385 1170 HD21 LEU 138 HD21 LEU 138 15.608 -23.129 -20.864 1171 HD22 LEU 138 HD22 LEU 138 15.057 -24.362 -21.998 1172 HD23 LEU 138 HD23 LEU 138 15.408 -24.798 -20.326 1173 H ALA 139 H ALA 139 15.679 -24.094 -16.486 1174 HA ALA 139 HA ALA 139 14.274 -23.543 -14.090 1175 HB1 ALA 139 HB1 ALA 139 16.547 -24.578 -14.266 1176 HB2 ALA 139 HB2 ALA 139 16.425 -23.273 -13.089 1177 HB3 ALA 139 HB3 ALA 139 17.182 -22.980 -14.655 1178 H SER 140 H SER 140 15.610 -21.467 -12.887 1179 HA SER 140 HA SER 140 14.101 -19.255 -13.443 1180 HB2 SER 140 HB2 SER 140 16.895 -19.205 -12.282 1181 HB3 SER 140 HB3 SER 140 15.608 -18.029 -12.008 1182 HG SER 140 HG SER 140 15.233 -19.262 -10.335 1183 H SER 141 H SER 141 13.961 -18.477 -15.471 1184 HA SER 141 HA SER 141 16.430 -17.748 -16.867 1185 HB2 SER 141 HB2 SER 141 13.618 -17.994 -17.970 1186 HB3 SER 141 HB3 SER 141 15.089 -17.716 -18.905 1187 HG SER 141 HG SER 141 14.842 -19.984 -17.232 Start of MODEL 5 1 H1 ASP 1 HT1 ASP 1 -32.182 9.147 -8.428 2 H2 ASP 1 HT2 ASP 1 -33.631 8.421 -8.911 3 H3 ASP 1 HT3 ASP 1 -32.726 7.745 -7.659 4 HA ASP 1 HA ASP 1 -34.042 10.382 -7.617 5 HB2 ASP 1 HB2 ASP 1 -34.829 7.750 -6.388 6 HB3 ASP 1 HB3 ASP 1 -35.449 9.286 -5.787 7 HA PRO 2 HA PRO 2 -31.711 10.083 -3.536 8 HB2 PRO 2 HB2 PRO 2 -30.540 7.856 -2.645 9 HB3 PRO 2 HB3 PRO 2 -32.285 8.092 -2.479 10 HG2 PRO 2 HG2 PRO 2 -30.778 6.476 -4.498 11 HG3 PRO 2 HG3 PRO 2 -32.257 6.061 -3.614 12 HD2 PRO 2 HD2 PRO 2 -32.210 7.025 -6.192 13 HD3 PRO 2 HD3 PRO 2 -33.592 7.175 -5.093 14 H SER 3 H SER 3 -30.606 9.132 -6.469 15 HA SER 3 HA SER 3 -27.804 8.824 -5.938 16 HB2 SER 3 HB2 SER 3 -27.795 8.899 -8.537 17 HB3 SER 3 HB3 SER 3 -28.570 7.537 -7.726 18 HG SER 3 HG SER 3 -29.674 9.148 -9.464 19 H ARG 4 H ARG 4 -28.892 11.270 -5.038 20 HA ARG 4 HA ARG 4 -27.798 13.356 -6.747 21 HB2 ARG 4 HB2 ARG 4 -29.021 13.497 -3.980 22 HB3 ARG 4 HB3 ARG 4 -28.586 14.876 -4.976 23 HG2 ARG 4 HG2 ARG 4 -30.271 14.343 -6.581 24 HG3 ARG 4 HG3 ARG 4 -30.622 12.812 -5.778 25 HD2 ARG 4 HD2 ARG 4 -31.079 15.580 -4.675 26 HD3 ARG 4 HD3 ARG 4 -32.314 14.446 -5.219 27 HE ARG 4 HE ARG 4 -30.542 13.835 -2.943 28 HH11 ARG 4 HH11 ARG 4 -33.748 14.135 -4.316 29 HH12 ARG 4 HH12 ARG 4 -34.538 13.456 -2.932 30 HH21 ARG 4 HH21 ARG 4 -31.573 12.934 -1.129 31 HH22 ARG 4 HH22 ARG 4 -33.302 12.783 -1.106 32 H ARG 5 H ARG 5 -26.688 15.048 -4.784 33 HA ARG 5 HA ARG 5 -24.115 14.351 -4.345 34 HB2 ARG 5 HB2 ARG 5 -24.742 16.518 -3.665 35 HB3 ARG 5 HB3 ARG 5 -26.014 15.914 -2.612 36 HG2 ARG 5 HG2 ARG 5 -24.177 16.759 -1.299 37 HG3 ARG 5 HG3 ARG 5 -24.315 15.013 -1.091 38 HD2 ARG 5 HD2 ARG 5 -22.572 15.033 -3.098 39 HD3 ARG 5 HD3 ARG 5 -22.197 16.614 -2.413 40 HE ARG 5 HE ARG 5 -22.275 14.334 -0.590 41 HH11 ARG 5 HH11 ARG 5 -20.365 16.636 -2.407 42 HH12 ARG 5 HH12 ARG 5 -18.904 16.308 -1.538 43 HH21 ARG 5 HH21 ARG 5 -20.343 13.876 0.544 44 HH22 ARG 5 HH22 ARG 5 -18.889 14.732 0.145 45 H ALA 6 H ALA 6 -23.065 12.776 -3.327 46 HA ALA 6 HA ALA 6 -24.407 10.679 -2.049 47 HB1 ALA 6 HB1 ALA 6 -22.288 10.314 -3.158 48 HB2 ALA 6 HB2 ALA 6 -22.189 9.822 -1.463 49 HB3 ALA 6 HB3 ALA 6 -21.471 11.349 -1.984 50 HA PRO 7 HA PRO 7 -24.869 12.118 2.127 51 HB2 PRO 7 HB2 PRO 7 -24.958 9.589 3.212 52 HB3 PRO 7 HB3 PRO 7 -26.353 10.439 2.546 53 HG2 PRO 7 HG2 PRO 7 -24.633 8.327 1.333 54 HG3 PRO 7 HG3 PRO 7 -26.383 8.570 1.186 55 HD2 PRO 7 HD2 PRO 7 -24.674 9.250 -0.773 56 HD3 PRO 7 HD3 PRO 7 -26.142 10.193 -0.440 57 H THR 8 H THR 8 -23.705 12.039 4.116 58 HA THR 8 HA THR 8 -20.945 11.196 3.864 59 HB THR 8 HB THR 8 -20.928 12.132 6.316 60 HG1 THR 8 HG1 THR 8 -22.650 13.920 6.229 61 HG21 THR 8 HG21 THR 8 -19.812 13.184 4.411 62 HG22 THR 8 HG22 THR 8 -20.578 14.396 5.439 63 HG23 THR 8 HG23 THR 8 -21.334 13.922 3.918 64 H TRP 9 H TRP 9 -20.005 9.566 5.025 65 HA TRP 9 HA TRP 9 -21.660 7.364 5.595 66 HB2 TRP 9 HB2 TRP 9 -18.734 7.881 6.047 67 HB3 TRP 9 HB3 TRP 9 -19.497 6.366 6.514 68 HD1 TRP 9 HD1 TRP 9 -18.520 8.384 3.414 69 HE1 TRP 9 HE1 TRP 9 -18.553 6.815 1.377 70 HE3 TRP 9 HE3 TRP 9 -20.549 4.252 5.612 71 HZ2 TRP 9 HZ2 TRP 9 -19.358 4.188 0.777 72 HZ3 TRP 9 HZ3 TRP 9 -20.927 2.251 4.232 73 HH2 TRP 9 HH2 TRP 9 -20.343 2.223 1.863 74 H SER 10 H SER 10 -22.848 7.019 7.272 75 HA SER 10 HA SER 10 -22.447 8.350 9.789 76 HB2 SER 10 HB2 SER 10 -24.355 6.086 9.154 77 HB3 SER 10 HB3 SER 10 -24.484 7.259 10.466 78 HG SER 10 HG SER 10 -25.532 7.453 8.083 79 HA PRO 11 HA PRO 11 -19.932 5.442 12.025 80 HB2 PRO 11 HB2 PRO 11 -22.192 5.293 13.977 81 HB3 PRO 11 HB3 PRO 11 -20.469 5.567 14.269 82 HG2 PRO 11 HG2 PRO 11 -22.168 7.597 14.366 83 HG3 PRO 11 HG3 PRO 11 -20.578 7.792 13.603 84 HD2 PRO 11 HD2 PRO 11 -23.264 7.499 12.335 85 HD3 PRO 11 HD3 PRO 11 -21.874 8.475 11.822 86 H GLU 12 H GLU 12 -23.397 4.572 12.101 87 HA GLU 12 HA GLU 12 -22.975 1.777 12.316 88 HB2 GLU 12 HB2 GLU 12 -25.091 2.916 12.918 89 HB3 GLU 12 HB3 GLU 12 -25.372 3.262 11.219 90 HG2 GLU 12 HG2 GLU 12 -26.709 1.405 11.723 91 HG3 GLU 12 HG3 GLU 12 -25.324 0.769 10.835 92 H GLU 13 H GLU 13 -23.019 3.982 9.641 93 HA GLU 13 HA GLU 13 -23.652 2.064 7.625 94 HB2 GLU 13 HB2 GLU 13 -24.030 4.582 7.549 95 HB3 GLU 13 HB3 GLU 13 -22.311 4.735 7.222 96 HG2 GLU 13 HG2 GLU 13 -22.500 3.691 5.134 97 HG3 GLU 13 HG3 GLU 13 -24.106 3.055 5.504 98 H GLU 14 H GLU 14 -20.643 3.550 8.825 99 HA GLU 14 HA GLU 14 -18.969 2.096 7.027 100 HB2 GLU 14 HB2 GLU 14 -18.349 3.507 9.622 101 HB3 GLU 14 HB3 GLU 14 -17.125 2.717 8.639 102 HG2 GLU 14 HG2 GLU 14 -17.852 4.201 6.742 103 HG3 GLU 14 HG3 GLU 14 -18.819 5.088 7.919 104 H ALA 15 H ALA 15 -20.262 1.466 10.223 105 HA ALA 15 HA ALA 15 -18.737 -0.869 10.736 106 HB1 ALA 15 HB1 ALA 15 -21.461 -0.095 11.772 107 HB2 ALA 15 HB2 ALA 15 -19.911 0.306 12.514 108 HB3 ALA 15 HB3 ALA 15 -20.436 -1.374 12.422 109 H HIS 16 H HIS 16 -21.970 -0.380 9.397 110 HA HIS 16 HA HIS 16 -22.575 -2.987 8.674 111 HB2 HIS 16 HB2 HIS 16 -24.140 -1.026 8.643 112 HB3 HIS 16 HB3 HIS 16 -23.349 -0.474 7.175 113 HD1 HIS 16 HD1 HIS 16 -25.950 -0.711 6.344 114 HD2 HIS 16 HD2 HIS 16 -23.845 -4.236 6.976 115 HE1 HIS 16 HE1 HIS 16 -27.244 -2.503 5.144 116 HE2 HIS 16 HE2 HIS 16 -26.058 -4.645 5.707 117 H LEU 17 H LEU 17 -20.426 -0.676 7.257 118 HA LEU 17 HA LEU 17 -20.247 -1.816 4.673 119 HB2 LEU 17 HB2 LEU 17 -19.516 0.507 5.482 120 HB3 LEU 17 HB3 LEU 17 -18.074 -0.286 6.084 121 HG LEU 17 HG LEU 17 -17.468 -0.967 3.827 122 HD11 LEU 17 HD11 LEU 17 -19.626 -1.300 2.855 123 HD12 LEU 17 HD12 LEU 17 -18.788 -0.064 1.922 124 HD13 LEU 17 HD13 LEU 17 -20.041 0.398 3.073 125 HD21 LEU 17 HD21 LEU 17 -16.988 1.227 2.910 126 HD22 LEU 17 HD22 LEU 17 -16.729 1.212 4.654 127 HD23 LEU 17 HD23 LEU 17 -18.182 1.955 3.985 128 H ARG 18 H ARG 18 -18.299 -2.129 7.631 129 HA ARG 18 HA ARG 18 -16.699 -4.223 6.503 130 HB2 ARG 18 HB2 ARG 18 -15.714 -4.423 8.720 131 HB3 ARG 18 HB3 ARG 18 -15.781 -2.737 8.231 132 HG2 ARG 18 HG2 ARG 18 -17.817 -2.473 9.618 133 HG3 ARG 18 HG3 ARG 18 -17.594 -4.129 10.185 134 HD2 ARG 18 HD2 ARG 18 -15.370 -3.512 11.039 135 HD3 ARG 18 HD3 ARG 18 -15.646 -1.853 10.519 136 HE ARG 18 HE ARG 18 -17.656 -2.898 12.309 137 HH11 ARG 18 HH11 ARG 18 -14.623 -1.179 12.023 138 HH12 ARG 18 HH12 ARG 18 -14.722 -0.477 13.603 139 HH21 ARG 18 HH21 ARG 18 -17.790 -1.967 14.398 140 HH22 ARG 18 HH22 ARG 18 -16.523 -0.918 14.954 141 H GLU 19 H GLU 19 -19.596 -3.925 8.382 142 HA GLU 19 HA GLU 19 -19.978 -6.410 9.433 143 HB2 GLU 19 HB2 GLU 19 -21.525 -4.539 9.731 144 HB3 GLU 19 HB3 GLU 19 -22.025 -4.683 8.054 145 HG2 GLU 19 HG2 GLU 19 -23.678 -5.641 9.533 146 HG3 GLU 19 HG3 GLU 19 -22.959 -6.880 8.509 147 H LEU 20 H LEU 20 -20.854 -5.299 6.209 148 HA LEU 20 HA LEU 20 -21.738 -7.825 5.258 149 HB2 LEU 20 HB2 LEU 20 -21.712 -5.131 4.391 150 HB3 LEU 20 HB3 LEU 20 -20.933 -6.079 3.140 151 HG LEU 20 HG LEU 20 -23.605 -6.892 4.240 152 HD11 LEU 20 HD11 LEU 20 -23.093 -4.991 1.963 153 HD12 LEU 20 HD12 LEU 20 -23.792 -4.562 3.526 154 HD13 LEU 20 HD13 LEU 20 -24.657 -5.649 2.439 155 HD21 LEU 20 HD21 LEU 20 -23.813 -7.974 2.074 156 HD22 LEU 20 HD22 LEU 20 -22.342 -8.506 2.893 157 HD23 LEU 20 HD23 LEU 20 -22.246 -7.326 1.585 158 H TYR 21 H TYR 21 -18.674 -6.153 5.276 159 HA TYR 21 HA TYR 21 -17.437 -7.721 3.248 160 HB2 TYR 21 HB2 TYR 21 -16.537 -5.528 3.763 161 HB3 TYR 21 HB3 TYR 21 -16.247 -6.001 5.434 162 HD1 TYR 21 HD1 TYR 21 -15.185 -6.623 1.939 163 HD2 TYR 21 HD2 TYR 21 -14.250 -7.098 6.057 164 HE1 TYR 21 HE1 TYR 21 -12.922 -7.385 1.337 165 HE2 TYR 21 HE2 TYR 21 -11.992 -7.865 5.468 166 HH TYR 21 HH TYR 21 -10.725 -7.600 2.287 167 H LEU 22 H LEU 22 -17.287 -7.734 6.782 168 HA LEU 22 HA LEU 22 -15.477 -9.838 7.075 169 HB2 LEU 22 HB2 LEU 22 -17.749 -9.147 8.941 170 HB3 LEU 22 HB3 LEU 22 -16.274 -9.994 9.353 171 HG LEU 22 HG LEU 22 -16.446 -7.112 8.486 172 HD11 LEU 22 HD11 LEU 22 -15.797 -6.613 10.790 173 HD12 LEU 22 HD12 LEU 22 -15.944 -8.326 11.192 174 HD13 LEU 22 HD13 LEU 22 -17.366 -7.410 10.691 175 HD21 LEU 22 HD21 LEU 22 -14.352 -8.145 7.800 176 HD22 LEU 22 HD22 LEU 22 -14.078 -8.703 9.451 177 HD23 LEU 22 HD23 LEU 22 -14.101 -6.974 9.096 178 H ALA 23 H ALA 23 -18.896 -9.827 6.447 179 HA ALA 23 HA ALA 23 -19.341 -12.574 7.052 180 HB1 ALA 23 HB1 ALA 23 -21.003 -10.733 5.343 181 HB2 ALA 23 HB2 ALA 23 -21.115 -10.868 7.097 182 HB3 ALA 23 HB3 ALA 23 -21.524 -12.248 6.080 183 H ASN 24 H ASN 24 -18.790 -10.808 3.990 184 HA ASN 24 HA ASN 24 -18.877 -13.402 2.615 185 HB2 ASN 24 HB2 ASN 24 -19.306 -10.614 1.524 186 HB3 ASN 24 HB3 ASN 24 -19.339 -12.089 0.562 187 HD21 ASN 24 HD21 ASN 24 -21.018 -10.124 2.855 188 HD22 ASN 24 HD22 ASN 24 -22.522 -10.980 2.798 189 H LYS 25 H LYS 25 -16.523 -11.866 3.962 190 HA LYS 25 HA LYS 25 -14.766 -11.250 1.784 191 HB2 LYS 25 HB2 LYS 25 -13.021 -11.019 3.489 192 HB3 LYS 25 HB3 LYS 25 -14.476 -10.148 3.945 193 HG2 LYS 25 HG2 LYS 25 -15.094 -11.953 5.462 194 HG3 LYS 25 HG3 LYS 25 -13.648 -12.845 4.991 195 HD2 LYS 25 HD2 LYS 25 -13.632 -10.113 6.269 196 HD3 LYS 25 HD3 LYS 25 -13.426 -11.627 7.149 197 HE2 LYS 25 HE2 LYS 25 -11.632 -10.575 4.962 198 HE3 LYS 25 HE3 LYS 25 -11.274 -10.578 6.686 199 HZ1 LYS 25 HZ1 LYS 25 -11.629 -12.971 4.964 200 HZ2 LYS 25 HZ2 LYS 25 -11.391 -13.016 6.636 201 HZ3 LYS 25 HZ3 LYS 25 -10.178 -12.412 5.625 202 H ASP 26 H ASP 26 -15.650 -14.134 3.374 203 HA ASP 26 HA ASP 26 -13.184 -15.480 2.537 204 HB2 ASP 26 HB2 ASP 26 -15.370 -16.324 4.446 205 HB3 ASP 26 HB3 ASP 26 -14.032 -17.365 3.971 206 H VAL 27 H VAL 27 -15.835 -14.697 1.059 207 HA VAL 27 HA VAL 27 -16.543 -17.318 -0.008 208 HB VAL 27 HB VAL 27 -17.704 -14.620 -0.728 209 HG11 VAL 27 HG11 VAL 27 -18.680 -17.423 -1.270 210 HG12 VAL 27 HG12 VAL 27 -18.046 -16.286 -2.462 211 HG13 VAL 27 HG13 VAL 27 -19.568 -15.945 -1.637 212 HG21 VAL 27 HG21 VAL 27 -19.587 -15.224 0.706 213 HG22 VAL 27 HG22 VAL 27 -18.084 -15.130 1.629 214 HG23 VAL 27 HG23 VAL 27 -18.753 -16.701 1.186 215 H GLU 28 H GLU 28 -15.201 -18.066 -1.472 216 HA GLU 28 HA GLU 28 -13.806 -16.213 -3.232 217 HB2 GLU 28 HB2 GLU 28 -13.463 -19.178 -2.761 218 HB3 GLU 28 HB3 GLU 28 -12.500 -18.234 -3.892 219 HG2 GLU 28 HG2 GLU 28 -11.667 -16.861 -2.059 220 HG3 GLU 28 HG3 GLU 28 -12.655 -17.769 -0.918 221 H GLY 29 H GLY 29 -13.777 -16.509 -5.506 222 HA2 GLY 29 HA2 GLY 29 -14.796 -16.954 -7.557 223 HA3 GLY 29 HA3 GLY 29 -15.908 -18.047 -6.736 224 H GLN 30 H GLN 30 -15.381 -14.932 -5.447 225 HA GLN 30 HA GLN 30 -17.864 -13.875 -6.538 226 HB2 GLN 30 HB2 GLN 30 -18.660 -15.026 -4.629 227 HB3 GLN 30 HB3 GLN 30 -17.294 -14.524 -3.654 228 HG2 GLN 30 HG2 GLN 30 -18.975 -12.333 -4.658 229 HG3 GLN 30 HG3 GLN 30 -19.754 -13.426 -3.513 230 HE21 GLN 30 HE21 GLN 30 -19.833 -11.748 -1.969 231 HE22 GLN 30 HE22 GLN 30 -18.429 -11.270 -1.095 232 H ASP 31 H ASP 31 -18.025 -11.616 -6.393 233 HA ASP 31 HA ASP 31 -15.545 -10.178 -5.875 234 HB2 ASP 31 HB2 ASP 31 -18.249 -9.281 -6.876 235 HB3 ASP 31 HB3 ASP 31 -16.877 -8.201 -6.665 236 H VAL 32 H VAL 32 -15.217 -9.919 -3.700 237 HA VAL 32 HA VAL 32 -17.242 -9.877 -1.797 238 HB VAL 32 HB VAL 32 -14.800 -10.297 -1.331 239 HG11 VAL 32 HG11 VAL 32 -13.789 -8.412 -2.411 240 HG12 VAL 32 HG12 VAL 32 -13.454 -8.308 -0.682 241 HG13 VAL 32 HG13 VAL 32 -14.704 -7.288 -1.403 242 HG21 VAL 32 HG21 VAL 32 -16.396 -10.118 0.468 243 HG22 VAL 32 HG22 VAL 32 -16.291 -8.356 0.427 244 HG23 VAL 32 HG23 VAL 32 -14.897 -9.310 0.935 245 H VAL 33 H VAL 33 -15.597 -7.176 -3.412 246 HA VAL 33 HA VAL 33 -16.837 -5.195 -1.825 247 HB VAL 33 HB VAL 33 -14.739 -4.807 -3.041 248 HG11 VAL 33 HG11 VAL 33 -16.443 -4.721 -5.513 249 HG12 VAL 33 HG12 VAL 33 -15.203 -5.916 -5.130 250 HG13 VAL 33 HG13 VAL 33 -14.751 -4.231 -5.405 251 HG21 VAL 33 HG21 VAL 33 -16.970 -2.899 -3.698 252 HG22 VAL 33 HG22 VAL 33 -15.251 -2.511 -3.767 253 HG23 VAL 33 HG23 VAL 33 -16.001 -2.923 -2.224 254 H GLU 34 H GLU 34 -17.681 -6.734 -4.878 255 HA GLU 34 HA GLU 34 -19.861 -5.128 -5.595 256 HB2 GLU 34 HB2 GLU 34 -19.041 -6.797 -7.129 257 HB3 GLU 34 HB3 GLU 34 -19.369 -8.081 -5.976 258 HG2 GLU 34 HG2 GLU 34 -21.781 -7.576 -6.167 259 HG3 GLU 34 HG3 GLU 34 -21.396 -6.405 -7.426 260 H ALA 35 H ALA 35 -19.665 -8.013 -3.553 261 HA ALA 35 HA ALA 35 -22.329 -8.209 -2.797 262 HB1 ALA 35 HB1 ALA 35 -21.541 -9.448 -0.863 263 HB2 ALA 35 HB2 ALA 35 -19.908 -8.828 -1.109 264 HB3 ALA 35 HB3 ALA 35 -20.627 -9.911 -2.300 265 H ILE 36 H ILE 36 -19.757 -6.150 -1.555 266 HA ILE 36 HA ILE 36 -21.266 -5.188 0.662 267 HB ILE 36 HB ILE 36 -19.066 -3.590 -0.606 268 HG12 ILE 36 HG12 ILE 36 -18.152 -5.826 -0.523 269 HG13 ILE 36 HG13 ILE 36 -17.440 -4.875 0.773 270 HG21 ILE 36 HG21 ILE 36 -20.251 -2.591 1.243 271 HG22 ILE 36 HG22 ILE 36 -18.612 -3.010 1.743 272 HG23 ILE 36 HG23 ILE 36 -19.969 -4.022 2.234 273 HD11 ILE 36 HD11 ILE 36 -19.715 -6.805 1.127 274 HD12 ILE 36 HD12 ILE 36 -18.825 -5.962 2.396 275 HD13 ILE 36 HD13 ILE 36 -18.020 -7.185 1.410 276 H LEU 37 H LEU 37 -20.233 -3.586 -2.341 277 HA LEU 37 HA LEU 37 -21.542 -1.173 -2.059 278 HB2 LEU 37 HB2 LEU 37 -21.530 -2.487 -4.740 279 HB3 LEU 37 HB3 LEU 37 -21.279 -0.810 -4.349 280 HG LEU 37 HG LEU 37 -19.262 -2.926 -3.645 281 HD11 LEU 37 HD11 LEU 37 -18.084 -2.335 -5.697 282 HD12 LEU 37 HD12 LEU 37 -19.424 -1.289 -6.170 283 HD13 LEU 37 HD13 LEU 37 -19.666 -3.033 -6.047 284 HD21 LEU 37 HD21 LEU 37 -19.102 0.054 -4.027 285 HD22 LEU 37 HD22 LEU 37 -17.736 -1.010 -3.683 286 HD23 LEU 37 HD23 LEU 37 -19.027 -0.820 -2.498 287 H ALA 38 H ALA 38 -22.867 -4.188 -3.273 288 HA ALA 38 HA ALA 38 -25.246 -2.877 -4.282 289 HB1 ALA 38 HB1 ALA 38 -24.111 -4.544 -5.632 290 HB2 ALA 38 HB2 ALA 38 -25.768 -5.029 -5.272 291 HB3 ALA 38 HB3 ALA 38 -24.421 -5.763 -4.398 292 H HIS 39 H HIS 39 -24.391 -4.758 -1.461 293 HA HIS 39 HA HIS 39 -27.162 -5.536 -1.043 294 HB2 HIS 39 HB2 HIS 39 -24.619 -6.161 0.407 295 HB3 HIS 39 HB3 HIS 39 -26.167 -6.420 1.200 296 HD1 HIS 39 HD1 HIS 39 -27.585 -8.397 0.407 297 HD2 HIS 39 HD2 HIS 39 -24.069 -7.893 -1.737 298 HE1 HIS 39 HE1 HIS 39 -27.333 -10.483 -0.973 299 HE2 HIS 39 HE2 HIS 39 -25.336 -10.034 -2.444 300 H LEU 40 H LEU 40 -24.917 -3.118 0.160 301 HA LEU 40 HA LEU 40 -27.016 -2.227 1.991 302 HB2 LEU 40 HB2 LEU 40 -25.136 -0.488 2.612 303 HB3 LEU 40 HB3 LEU 40 -25.185 -2.091 3.307 304 HG LEU 40 HG LEU 40 -23.502 -2.778 1.540 305 HD11 LEU 40 HD11 LEU 40 -22.137 -0.983 0.573 306 HD12 LEU 40 HD12 LEU 40 -23.287 0.207 1.184 307 HD13 LEU 40 HD13 LEU 40 -23.792 -0.964 -0.038 308 HD21 LEU 40 HD21 LEU 40 -22.897 -2.400 3.856 309 HD22 LEU 40 HD22 LEU 40 -22.727 -0.671 3.549 310 HD23 LEU 40 HD23 LEU 40 -21.626 -1.818 2.782 311 H ASN 41 H ASN 41 -28.450 -1.454 0.472 312 HA ASN 41 HA ASN 41 -27.598 0.538 -1.441 313 HB2 ASN 41 HB2 ASN 41 -30.346 -0.537 -0.761 314 HB3 ASN 41 HB3 ASN 41 -30.006 0.577 -2.081 315 HD21 ASN 41 HD21 ASN 41 -29.717 -2.679 -0.934 316 HD22 ASN 41 HD22 ASN 41 -29.188 -3.372 -2.427 317 H THR 42 H THR 42 -27.122 1.227 1.228 318 HA THR 42 HA THR 42 -29.039 3.321 1.870 319 HB THR 42 HB THR 42 -28.225 2.066 3.764 320 HG1 THR 42 HG1 THR 42 -26.681 4.381 4.115 321 HG21 THR 42 HG21 THR 42 -25.843 2.014 4.391 322 HG22 THR 42 HG22 THR 42 -25.437 2.849 2.891 323 HG23 THR 42 HG23 THR 42 -26.129 1.228 2.839 324 H VAL 43 H VAL 43 -26.040 2.826 0.285 325 HA VAL 43 HA VAL 43 -25.691 5.735 0.030 326 HB VAL 43 HB VAL 43 -23.243 5.113 -0.496 327 HG11 VAL 43 HG11 VAL 43 -23.859 6.393 1.451 328 HG12 VAL 43 HG12 VAL 43 -22.630 5.207 1.890 329 HG13 VAL 43 HG13 VAL 43 -24.321 4.923 2.308 330 HG21 VAL 43 HG21 VAL 43 -24.077 2.657 1.045 331 HG22 VAL 43 HG22 VAL 43 -22.413 3.118 0.685 332 HG23 VAL 43 HG23 VAL 43 -23.519 2.704 -0.627 333 HA PRO 44 HA PRO 44 -26.026 4.733 -4.385 334 HB2 PRO 44 HB2 PRO 44 -26.077 7.644 -4.652 335 HB3 PRO 44 HB3 PRO 44 -27.291 6.461 -5.150 336 HG2 PRO 44 HG2 PRO 44 -27.682 8.186 -3.097 337 HG3 PRO 44 HG3 PRO 44 -28.405 6.569 -3.149 338 HD2 PRO 44 HD2 PRO 44 -26.005 7.524 -1.631 339 HD3 PRO 44 HD3 PRO 44 -27.293 6.411 -1.121 340 H ARG 45 H ARG 45 -23.841 4.037 -4.379 341 HA ARG 45 HA ARG 45 -21.862 6.133 -4.837 342 HB2 ARG 45 HB2 ARG 45 -21.937 4.258 -2.541 343 HB3 ARG 45 HB3 ARG 45 -20.367 4.579 -3.267 344 HG2 ARG 45 HG2 ARG 45 -20.668 6.953 -2.919 345 HG3 ARG 45 HG3 ARG 45 -22.271 6.671 -2.242 346 HD2 ARG 45 HD2 ARG 45 -21.440 5.866 -0.272 347 HD3 ARG 45 HD3 ARG 45 -19.968 5.247 -1.020 348 HE ARG 45 HE ARG 45 -19.034 7.400 -0.918 349 HH11 ARG 45 HH11 ARG 45 -22.181 7.228 0.614 350 HH12 ARG 45 HH12 ARG 45 -22.034 8.782 1.375 351 HH21 ARG 45 HH21 ARG 45 -18.843 9.447 0.090 352 HH22 ARG 45 HH22 ARG 45 -20.144 10.041 1.079 353 H THR 46 H THR 46 -19.647 5.033 -5.182 354 HA THR 46 HA THR 46 -20.070 3.001 -7.249 355 HB THR 46 HB THR 46 -17.919 3.801 -8.163 356 HG1 THR 46 HG1 THR 46 -16.876 5.517 -7.210 357 HG21 THR 46 HG21 THR 46 -18.711 5.995 -8.922 358 HG22 THR 46 HG22 THR 46 -19.916 6.001 -7.634 359 HG23 THR 46 HG23 THR 46 -20.019 4.811 -8.934 360 H ARG 47 H ARG 47 -17.553 2.039 -7.556 361 HA ARG 47 HA ARG 47 -17.495 0.126 -5.440 362 HB2 ARG 47 HB2 ARG 47 -15.154 0.209 -7.238 363 HB3 ARG 47 HB3 ARG 47 -16.179 -1.143 -6.797 364 HG2 ARG 47 HG2 ARG 47 -16.746 0.938 -8.903 365 HG3 ARG 47 HG3 ARG 47 -16.311 -0.743 -9.161 366 HD2 ARG 47 HD2 ARG 47 -18.390 -1.494 -8.226 367 HD3 ARG 47 HD3 ARG 47 -18.813 0.152 -7.741 368 HE ARG 47 HE ARG 47 -18.445 0.321 -10.434 369 HH11 ARG 47 HH11 ARG 47 -20.470 -1.649 -8.367 370 HH12 ARG 47 HH12 ARG 47 -21.724 -1.825 -9.548 371 HH21 ARG 47 HH21 ARG 47 -20.113 0.100 -11.987 372 HH22 ARG 47 HH22 ARG 47 -21.510 -0.854 -11.608 373 H LYS 48 H LYS 48 -15.291 2.634 -6.574 374 HA LYS 48 HA LYS 48 -13.124 2.180 -4.915 375 HB2 LYS 48 HB2 LYS 48 -12.997 3.613 -6.840 376 HB3 LYS 48 HB3 LYS 48 -14.168 4.733 -6.141 377 HG2 LYS 48 HG2 LYS 48 -12.335 4.873 -4.234 378 HG3 LYS 48 HG3 LYS 48 -11.282 4.374 -5.558 379 HD2 LYS 48 HD2 LYS 48 -11.269 6.758 -5.510 380 HD3 LYS 48 HD3 LYS 48 -12.246 6.276 -6.899 381 HE2 LYS 48 HE2 LYS 48 -14.280 6.608 -5.573 382 HE3 LYS 48 HE3 LYS 48 -13.299 7.089 -4.194 383 HZ1 LYS 48 HZ1 LYS 48 -14.195 8.998 -5.375 384 HZ2 LYS 48 HZ2 LYS 48 -13.418 8.511 -6.795 385 HZ3 LYS 48 HZ3 LYS 48 -12.507 8.981 -5.453 386 H GLN 49 H GLN 49 -16.046 4.016 -4.267 387 HA GLN 49 HA GLN 49 -15.317 5.402 -1.973 388 HB2 GLN 49 HB2 GLN 49 -17.868 4.392 -3.108 389 HB3 GLN 49 HB3 GLN 49 -17.889 4.859 -1.417 390 HG2 GLN 49 HG2 GLN 49 -18.638 6.695 -2.727 391 HG3 GLN 49 HG3 GLN 49 -17.061 7.092 -2.069 392 HE21 GLN 49 HE21 GLN 49 -18.606 8.065 -4.403 393 HE22 GLN 49 HE22 GLN 49 -17.528 7.917 -5.744 394 H ILE 50 H ILE 50 -17.057 2.310 -2.108 395 HA ILE 50 HA ILE 50 -16.983 1.820 0.654 396 HB ILE 50 HB ILE 50 -17.518 0.117 -1.743 397 HG12 ILE 50 HG12 ILE 50 -19.678 -0.190 -0.235 398 HG13 ILE 50 HG13 ILE 50 -19.088 1.283 0.519 399 HG21 ILE 50 HG21 ILE 50 -16.348 -1.423 -0.346 400 HG22 ILE 50 HG22 ILE 50 -18.071 -1.783 -0.226 401 HG23 ILE 50 HG23 ILE 50 -17.259 -0.909 1.073 402 HD11 ILE 50 HD11 ILE 50 -19.960 0.874 -2.327 403 HD12 ILE 50 HD12 ILE 50 -19.072 2.311 -1.790 404 HD13 ILE 50 HD13 ILE 50 -20.655 1.943 -1.105 405 H ILE 51 H ILE 51 -14.871 0.769 -1.977 406 HA ILE 51 HA ILE 51 -13.227 -1.025 -0.657 407 HB ILE 51 HB ILE 51 -12.375 1.013 -2.718 408 HG12 ILE 51 HG12 ILE 51 -13.235 -1.856 -3.102 409 HG13 ILE 51 HG13 ILE 51 -14.292 -0.471 -3.358 410 HG21 ILE 51 HG21 ILE 51 -10.482 0.013 -1.533 411 HG22 ILE 51 HG22 ILE 51 -10.552 -0.545 -3.204 412 HG23 ILE 51 HG23 ILE 51 -11.098 -1.597 -1.901 413 HD11 ILE 51 HD11 ILE 51 -12.866 0.325 -5.128 414 HD12 ILE 51 HD12 ILE 51 -13.342 -1.343 -5.437 415 HD13 ILE 51 HD13 ILE 51 -11.725 -0.982 -4.833 416 H HIS 52 H HIS 52 -12.964 2.497 -0.876 417 HA HIS 52 HA HIS 52 -10.499 2.837 0.335 418 HB2 HIS 52 HB2 HIS 52 -12.833 4.558 -0.176 419 HB3 HIS 52 HB3 HIS 52 -11.758 5.104 1.106 420 HD1 HIS 52 HD1 HIS 52 -9.854 6.493 0.341 421 HD2 HIS 52 HD2 HIS 52 -11.279 4.010 -2.674 422 HE1 HIS 52 HE1 HIS 52 -8.558 7.113 -1.714 423 HE2 HIS 52 HE2 HIS 52 -9.568 5.742 -3.556 424 H HIS 53 H HIS 53 -13.710 2.904 1.917 425 HA HIS 53 HA HIS 53 -12.667 3.513 4.475 426 HB2 HIS 53 HB2 HIS 53 -15.241 2.142 3.712 427 HB3 HIS 53 HB3 HIS 53 -14.846 2.642 5.354 428 HD1 HIS 53 HD1 HIS 53 -14.656 5.241 5.772 429 HD2 HIS 53 HD2 HIS 53 -16.215 4.096 2.087 430 HE1 HIS 53 HE1 HIS 53 -15.627 7.328 4.776 431 HE2 HIS 53 HE2 HIS 53 -16.668 6.596 2.601 432 H LEU 54 H LEU 54 -13.102 0.463 2.833 433 HA LEU 54 HA LEU 54 -12.886 -1.164 5.158 434 HB2 LEU 54 HB2 LEU 54 -12.556 -1.774 2.228 435 HB3 LEU 54 HB3 LEU 54 -12.449 -2.999 3.478 436 HG LEU 54 HG LEU 54 -14.889 -1.288 2.960 437 HD11 LEU 54 HD11 LEU 54 -15.860 -3.326 2.015 438 HD12 LEU 54 HD12 LEU 54 -14.309 -4.146 2.200 439 HD13 LEU 54 HD13 LEU 54 -14.458 -2.780 1.093 440 HD21 LEU 54 HD21 LEU 54 -14.687 -2.091 5.284 441 HD22 LEU 54 HD22 LEU 54 -14.531 -3.743 4.690 442 HD23 LEU 54 HD23 LEU 54 -16.032 -2.853 4.435 443 H VAL 55 H VAL 55 -10.583 -0.286 2.595 444 HA VAL 55 HA VAL 55 -8.410 -1.657 3.832 445 HB VAL 55 HB VAL 55 -6.978 -0.589 2.188 446 HG11 VAL 55 HG11 VAL 55 -8.281 -2.496 1.459 447 HG12 VAL 55 HG12 VAL 55 -8.110 -1.340 0.138 448 HG13 VAL 55 HG13 VAL 55 -9.629 -1.441 1.030 449 HG21 VAL 55 HG21 VAL 55 -7.884 1.026 0.567 450 HG22 VAL 55 HG22 VAL 55 -7.882 1.663 2.212 451 HG23 VAL 55 HG23 VAL 55 -9.385 1.091 1.488 452 H GLN 56 H GLN 56 -9.861 1.423 4.230 453 HA GLN 56 HA GLN 56 -7.637 2.664 5.543 454 HB2 GLN 56 HB2 GLN 56 -10.468 3.363 4.989 455 HB3 GLN 56 HB3 GLN 56 -9.685 4.190 6.321 456 HG2 GLN 56 HG2 GLN 56 -7.939 4.982 4.819 457 HG3 GLN 56 HG3 GLN 56 -8.679 4.098 3.486 458 HE21 GLN 56 HE21 GLN 56 -10.584 4.847 2.596 459 HE22 GLN 56 HE22 GLN 56 -11.150 6.461 2.843 460 H MET 57 H MET 57 -10.338 0.688 6.515 461 HA MET 57 HA MET 57 -9.960 1.303 9.314 462 HB2 MET 57 HB2 MET 57 -11.828 -0.508 7.827 463 HB3 MET 57 HB3 MET 57 -11.638 -0.657 9.569 464 HG2 MET 57 HG2 MET 57 -12.236 1.727 9.798 465 HG3 MET 57 HG3 MET 57 -12.531 1.787 8.063 466 HE1 MET 57 HE1 MET 57 -14.008 -0.678 7.203 467 HE2 MET 57 HE2 MET 57 -14.680 0.923 6.897 468 HE3 MET 57 HE3 MET 57 -15.699 -0.346 7.577 469 H GLY 58 H GLY 58 -8.234 -0.476 7.212 470 HA2 GLY 58 HA2 GLY 58 -6.397 -1.808 7.640 471 HA3 GLY 58 HA3 GLY 58 -6.785 -1.721 9.350 472 H LEU 59 H LEU 59 -9.492 -2.680 7.709 473 HA LEU 59 HA LEU 59 -9.094 -5.439 8.527 474 HB2 LEU 59 HB2 LEU 59 -11.501 -5.701 7.948 475 HB3 LEU 59 HB3 LEU 59 -11.184 -4.496 9.178 476 HG LEU 59 HG LEU 59 -11.265 -2.824 7.171 477 HD11 LEU 59 HD11 LEU 59 -12.747 -3.481 5.398 478 HD12 LEU 59 HD12 LEU 59 -12.933 -5.088 6.098 479 HD13 LEU 59 HD13 LEU 59 -11.371 -4.581 5.453 480 HD21 LEU 59 HD21 LEU 59 -13.703 -2.609 7.496 481 HD22 LEU 59 HD22 LEU 59 -12.807 -2.765 9.006 482 HD23 LEU 59 HD23 LEU 59 -13.693 -4.146 8.360 483 H ALA 60 H ALA 60 -8.825 -3.523 5.794 484 HA ALA 60 HA ALA 60 -8.391 -5.933 4.159 485 HB1 ALA 60 HB1 ALA 60 -10.418 -4.832 3.368 486 HB2 ALA 60 HB2 ALA 60 -9.125 -4.693 2.176 487 HB3 ALA 60 HB3 ALA 60 -9.539 -3.313 3.193 488 H ASP 61 H ASP 61 -6.747 -5.607 2.460 489 HA ASP 61 HA ASP 61 -4.489 -4.268 3.630 490 HB2 ASP 61 HB2 ASP 61 -4.805 -5.919 1.127 491 HB3 ASP 61 HB3 ASP 61 -3.281 -5.167 1.582 492 H SER 62 H SER 62 -5.837 -4.086 0.320 493 HA SER 62 HA SER 62 -5.197 -1.254 0.217 494 HB2 SER 62 HB2 SER 62 -3.918 -3.225 -1.682 495 HB3 SER 62 HB3 SER 62 -3.730 -1.473 -1.725 496 HG SER 62 HG SER 62 -2.985 -1.893 0.607 497 H VAL 63 H VAL 63 -5.831 -0.285 -1.860 498 HA VAL 63 HA VAL 63 -8.465 -1.042 -2.545 499 HB VAL 63 HB VAL 63 -6.546 0.960 -3.735 500 HG11 VAL 63 HG11 VAL 63 -8.030 0.246 -5.525 501 HG12 VAL 63 HG12 VAL 63 -8.430 1.883 -5.003 502 HG13 VAL 63 HG13 VAL 63 -9.434 0.525 -4.494 503 HG21 VAL 63 HG21 VAL 63 -8.092 2.567 -2.679 504 HG22 VAL 63 HG22 VAL 63 -7.343 1.472 -1.517 505 HG23 VAL 63 HG23 VAL 63 -9.013 1.214 -2.022 506 H LYS 64 H LYS 64 -5.352 -1.668 -3.957 507 HA LYS 64 HA LYS 64 -6.013 -2.382 -6.553 508 HB2 LYS 64 HB2 LYS 64 -3.851 -3.339 -4.704 509 HB3 LYS 64 HB3 LYS 64 -3.970 -3.899 -6.359 510 HG2 LYS 64 HG2 LYS 64 -3.724 -1.625 -7.169 511 HG3 LYS 64 HG3 LYS 64 -3.658 -1.032 -5.509 512 HD2 LYS 64 HD2 LYS 64 -1.413 -1.151 -6.236 513 HD3 LYS 64 HD3 LYS 64 -1.650 -2.549 -5.193 514 HE2 LYS 64 HE2 LYS 64 -1.822 -2.643 -8.201 515 HE3 LYS 64 HE3 LYS 64 -0.356 -2.990 -7.293 516 HZ1 LYS 64 HZ1 LYS 64 -1.765 -4.730 -6.110 517 HZ2 LYS 64 HZ2 LYS 64 -1.296 -5.057 -7.699 518 HZ3 LYS 64 HZ3 LYS 64 -2.870 -4.534 -7.378 519 H ASP 65 H ASP 65 -6.455 -4.164 -3.602 520 HA ASP 65 HA ASP 65 -6.675 -6.742 -4.823 521 HB2 ASP 65 HB2 ASP 65 -5.993 -6.322 -2.436 522 HB3 ASP 65 HB3 ASP 65 -7.663 -5.885 -2.092 523 H PHE 66 H PHE 66 -8.748 -4.076 -4.454 524 HA PHE 66 HA PHE 66 -11.166 -5.706 -4.876 525 HB2 PHE 66 HB2 PHE 66 -10.930 -2.757 -4.242 526 HB3 PHE 66 HB3 PHE 66 -12.419 -3.678 -4.328 527 HD1 PHE 66 HD1 PHE 66 -13.396 -3.872 -2.298 528 HD2 PHE 66 HD2 PHE 66 -9.161 -4.123 -2.538 529 HE1 PHE 66 HE1 PHE 66 -13.283 -4.200 0.134 530 HE2 PHE 66 HE2 PHE 66 -9.039 -4.453 -0.107 531 HZ PHE 66 HZ PHE 66 -11.101 -4.476 1.233 532 H GLN 67 H GLN 67 -9.421 -2.873 -6.059 533 HA GLN 67 HA GLN 67 -10.430 -3.181 -8.756 534 HB2 GLN 67 HB2 GLN 67 -11.126 -0.812 -7.011 535 HB3 GLN 67 HB3 GLN 67 -11.140 -0.723 -8.767 536 HG2 GLN 67 HG2 GLN 67 -12.791 -2.638 -7.133 537 HG3 GLN 67 HG3 GLN 67 -13.366 -1.099 -7.775 538 HE21 GLN 67 HE21 GLN 67 -14.283 -3.818 -8.302 539 HE22 GLN 67 HE22 GLN 67 -14.170 -4.036 -10.012 540 H ARG 68 H ARG 68 -9.560 -0.948 -9.940 541 HA ARG 68 HA ARG 68 -6.829 -0.571 -8.937 542 HB2 ARG 68 HB2 ARG 68 -7.241 -2.182 -11.039 543 HB3 ARG 68 HB3 ARG 68 -7.176 -0.644 -11.886 544 HG2 ARG 68 HG2 ARG 68 -5.039 -1.629 -10.006 545 HG3 ARG 68 HG3 ARG 68 -4.999 -1.840 -11.754 546 HD2 ARG 68 HD2 ARG 68 -5.280 0.878 -10.505 547 HD3 ARG 68 HD3 ARG 68 -3.701 0.130 -10.735 548 HE ARG 68 HE ARG 68 -4.802 -0.066 -13.185 549 HH11 ARG 68 HH11 ARG 68 -4.444 2.644 -10.985 550 HH12 ARG 68 HH12 ARG 68 -4.297 3.814 -12.256 551 HH21 ARG 68 HH21 ARG 68 -4.585 1.469 -14.848 552 HH22 ARG 68 HH22 ARG 68 -4.362 3.147 -14.452 553 H LYS 69 H LYS 69 -7.004 1.430 -8.242 554 HA LYS 69 HA LYS 69 -7.285 3.500 -10.274 555 HB2 LYS 69 HB2 LYS 69 -9.512 3.268 -9.097 556 HB3 LYS 69 HB3 LYS 69 -8.697 3.702 -7.604 557 HG2 LYS 69 HG2 LYS 69 -9.829 5.626 -8.533 558 HG3 LYS 69 HG3 LYS 69 -8.082 5.868 -8.568 559 HD2 LYS 69 HD2 LYS 69 -9.097 6.626 -10.650 560 HD3 LYS 69 HD3 LYS 69 -8.049 5.238 -10.943 561 HE2 LYS 69 HE2 LYS 69 -10.051 3.780 -10.913 562 HE3 LYS 69 HE3 LYS 69 -11.061 5.211 -10.726 563 HZ1 LYS 69 HZ1 LYS 69 -10.885 4.401 -13.036 564 HZ2 LYS 69 HZ2 LYS 69 -9.231 4.751 -13.017 565 HZ3 LYS 69 HZ3 LYS 69 -10.357 5.996 -12.852 566 H GLY 70 H GLY 70 -6.969 3.247 -6.736 567 HA2 GLY 70 HA2 GLY 70 -4.583 4.867 -6.731 568 HA3 GLY 70 HA3 GLY 70 -5.295 4.046 -5.344 569 H THR 71 H THR 71 -2.492 4.148 -6.570 570 HA THR 71 HA THR 71 -2.102 1.397 -7.408 571 HB THR 71 HB THR 71 0.377 2.272 -7.432 572 HG1 THR 71 HG1 THR 71 -0.424 4.751 -8.068 573 HG21 THR 71 HG21 THR 71 0.007 3.170 -9.697 574 HG22 THR 71 HG22 THR 71 -1.730 3.222 -9.383 575 HG23 THR 71 HG23 THR 71 -0.884 1.673 -9.424 576 H HIS 72 H HIS 72 0.058 0.455 -6.566 577 HA HIS 72 HA HIS 72 -0.062 0.133 -3.701 578 HB2 HIS 72 HB2 HIS 72 1.759 -1.469 -4.037 579 HB3 HIS 72 HB3 HIS 72 0.496 -1.756 -5.226 580 HD1 HIS 72 HD1 HIS 72 3.213 -2.854 -5.871 581 HD2 HIS 72 HD2 HIS 72 2.072 0.997 -6.929 582 HE1 HIS 72 HE1 HIS 72 4.724 -2.180 -7.763 583 HE2 HIS 72 HE2 HIS 72 3.801 0.012 -8.567 584 H ILE 73 H ILE 73 0.672 2.775 -4.975 585 HA ILE 73 HA ILE 73 3.517 2.915 -4.743 586 HB ILE 73 HB ILE 73 1.462 4.823 -5.740 587 HG12 ILE 73 HG12 ILE 73 2.368 3.184 -7.267 588 HG13 ILE 73 HG13 ILE 73 3.014 4.766 -7.696 589 HG21 ILE 73 HG21 ILE 73 4.325 5.595 -5.349 590 HG22 ILE 73 HG22 ILE 73 3.042 6.088 -4.248 591 HG23 ILE 73 HG23 ILE 73 3.007 6.606 -5.935 592 HD11 ILE 73 HD11 ILE 73 4.828 3.264 -7.831 593 HD12 ILE 73 HD12 ILE 73 4.419 2.504 -6.298 594 HD13 ILE 73 HD13 ILE 73 5.060 4.148 -6.317 595 H VAL 74 H VAL 74 4.383 2.950 -2.992 596 HA VAL 74 HA VAL 74 3.779 4.075 -0.560 597 HB VAL 74 HB VAL 74 5.708 2.869 -0.356 598 HG11 VAL 74 HG11 VAL 74 6.288 3.712 -3.190 599 HG12 VAL 74 HG12 VAL 74 5.915 2.097 -2.577 600 HG13 VAL 74 HG13 VAL 74 7.473 2.842 -2.221 601 HG21 VAL 74 HG21 VAL 74 6.974 5.458 -1.265 602 HG22 VAL 74 HG22 VAL 74 7.753 4.197 -0.304 603 HG23 VAL 74 HG23 VAL 74 6.404 5.113 0.370 604 H LEU 75 H LEU 75 4.086 6.138 0.324 605 HA LEU 75 HA LEU 75 3.586 8.326 -1.279 606 HB2 LEU 75 HB2 LEU 75 4.247 9.731 0.661 607 HB3 LEU 75 HB3 LEU 75 3.106 8.462 1.056 608 HG LEU 75 HG LEU 75 5.896 7.676 1.489 609 HD11 LEU 75 HD11 LEU 75 6.141 10.023 2.049 610 HD12 LEU 75 HD12 LEU 75 6.170 9.041 3.514 611 HD13 LEU 75 HD13 LEU 75 4.718 9.947 3.087 612 HD21 LEU 75 HD21 LEU 75 4.976 6.898 3.608 613 HD22 LEU 75 HD22 LEU 75 3.955 6.385 2.267 614 HD23 LEU 75 HD23 LEU 75 3.465 7.741 3.278 615 H TRP 76 H TRP 76 4.824 8.805 -2.954 616 HA TRP 76 HA TRP 76 7.712 8.965 -2.676 617 HB2 TRP 76 HB2 TRP 76 5.813 8.992 -4.986 618 HB3 TRP 76 HB3 TRP 76 7.397 9.740 -5.194 619 HD1 TRP 76 HD1 TRP 76 5.820 6.328 -4.368 620 HE1 TRP 76 HE1 TRP 76 7.467 4.475 -5.055 621 HE3 TRP 76 HE3 TRP 76 9.810 9.235 -5.672 622 HZ2 TRP 76 HZ2 TRP 76 10.095 4.271 -6.003 623 HZ3 TRP 76 HZ3 TRP 76 11.862 8.119 -6.458 624 HH2 TRP 76 HH2 TRP 76 11.998 5.691 -6.621 625 H THR 77 H THR 77 8.543 10.704 -1.871 626 HA THR 77 HA THR 77 7.459 13.325 -2.637 627 HB THR 77 HB THR 77 8.350 14.129 -0.408 628 HG1 THR 77 HG1 THR 77 8.138 11.706 0.800 629 HG21 THR 77 HG21 THR 77 6.138 12.070 -0.357 630 HG22 THR 77 HG22 THR 77 5.958 13.781 -0.748 631 HG23 THR 77 HG23 THR 77 6.422 13.293 0.882 632 H GLY 78 H GLY 78 9.269 15.063 -2.152 633 HA2 GLY 78 HA2 GLY 78 11.367 14.652 -3.919 634 HA3 GLY 78 HA3 GLY 78 11.359 15.880 -2.663 635 H ASP 79 H ASP 79 11.454 14.426 -0.376 636 HA ASP 79 HA ASP 79 14.148 13.706 -0.112 637 HB2 ASP 79 HB2 ASP 79 11.812 12.870 1.626 638 HB3 ASP 79 HB3 ASP 79 13.507 12.809 2.089 639 H GLN 80 H GLN 80 11.267 11.616 -0.172 640 HA GLN 80 HA GLN 80 12.615 9.177 0.062 641 HB2 GLN 80 HB2 GLN 80 10.144 9.640 0.383 642 HB3 GLN 80 HB3 GLN 80 9.990 9.610 -1.367 643 HG2 GLN 80 HG2 GLN 80 11.306 7.265 -0.186 644 HG3 GLN 80 HG3 GLN 80 9.611 7.477 0.238 645 HE21 GLN 80 HE21 GLN 80 8.047 7.312 -1.357 646 HE22 GLN 80 HE22 GLN 80 8.386 6.655 -2.921 647 H GLU 81 H GLU 81 11.656 11.015 -2.793 648 HA GLU 81 HA GLU 81 12.387 9.103 -4.733 649 HB2 GLU 81 HB2 GLU 81 10.924 11.108 -5.095 650 HB3 GLU 81 HB3 GLU 81 12.360 12.116 -5.007 651 HG2 GLU 81 HG2 GLU 81 13.252 11.125 -6.996 652 HG3 GLU 81 HG3 GLU 81 11.955 9.934 -7.035 653 H LEU 82 H LEU 82 14.105 11.891 -3.393 654 HA LEU 82 HA LEU 82 16.461 11.589 -4.897 655 HB2 LEU 82 HB2 LEU 82 15.868 13.670 -3.862 656 HB3 LEU 82 HB3 LEU 82 15.876 12.950 -2.269 657 HG LEU 82 HG LEU 82 17.808 14.495 -2.894 658 HD11 LEU 82 HD11 LEU 82 19.440 13.191 -1.666 659 HD12 LEU 82 HD12 LEU 82 18.487 11.729 -1.919 660 HD13 LEU 82 HD13 LEU 82 17.840 13.043 -0.933 661 HD21 LEU 82 HD21 LEU 82 18.617 12.074 -4.489 662 HD22 LEU 82 HD22 LEU 82 19.676 13.427 -4.094 663 HD23 LEU 82 HD23 LEU 82 18.261 13.683 -5.113 664 H GLU 83 H GLU 83 15.543 10.364 -1.686 665 HA GLU 83 HA GLU 83 18.051 9.295 -1.005 666 HB2 GLU 83 HB2 GLU 83 15.291 8.412 -0.169 667 HB3 GLU 83 HB3 GLU 83 16.781 7.819 0.554 668 HG2 GLU 83 HG2 GLU 83 17.316 10.221 1.113 669 HG3 GLU 83 HG3 GLU 83 15.662 10.604 0.639 670 H LEU 84 H LEU 84 15.301 7.808 -2.707 671 HA LEU 84 HA LEU 84 16.606 5.276 -2.950 672 HB2 LEU 84 HB2 LEU 84 14.182 5.432 -2.979 673 HB3 LEU 84 HB3 LEU 84 14.232 6.425 -4.421 674 HG LEU 84 HG LEU 84 14.912 4.579 -5.781 675 HD11 LEU 84 HD11 LEU 84 15.192 3.004 -3.222 676 HD12 LEU 84 HD12 LEU 84 16.509 3.552 -4.260 677 HD13 LEU 84 HD13 LEU 84 15.359 2.354 -4.853 678 HD21 LEU 84 HD21 LEU 84 13.026 3.187 -5.643 679 HD22 LEU 84 HD22 LEU 84 12.498 4.723 -4.960 680 HD23 LEU 84 HD23 LEU 84 12.904 3.380 -3.895 681 H GLN 85 H GLN 85 16.313 8.131 -4.961 682 HA GLN 85 HA GLN 85 17.352 7.226 -7.372 683 HB2 GLN 85 HB2 GLN 85 16.421 9.549 -6.648 684 HB3 GLN 85 HB3 GLN 85 18.080 9.903 -6.206 685 HG2 GLN 85 HG2 GLN 85 17.117 9.155 -8.951 686 HG3 GLN 85 HG3 GLN 85 17.501 10.783 -8.406 687 HE21 GLN 85 HE21 GLN 85 19.708 11.267 -7.926 688 HE22 GLN 85 HE22 GLN 85 20.982 10.355 -8.669 689 H ARG 86 H ARG 86 19.143 8.848 -4.758 690 HA ARG 86 HA ARG 86 21.670 8.539 -5.926 691 HB2 ARG 86 HB2 ARG 86 20.951 8.887 -3.018 692 HB3 ARG 86 HB3 ARG 86 22.564 9.079 -3.686 693 HG2 ARG 86 HG2 ARG 86 21.461 10.833 -5.224 694 HG3 ARG 86 HG3 ARG 86 20.160 10.808 -4.033 695 HD2 ARG 86 HD2 ARG 86 21.706 12.566 -3.472 696 HD3 ARG 86 HD3 ARG 86 21.824 11.284 -2.266 697 HE ARG 86 HE ARG 86 23.724 11.136 -4.454 698 HH11 ARG 86 HH11 ARG 86 23.114 12.155 -1.158 699 HH12 ARG 86 HH12 ARG 86 24.795 12.310 -0.761 700 HH21 ARG 86 HH21 ARG 86 25.949 11.330 -3.918 701 HH22 ARG 86 HH22 ARG 86 26.399 11.829 -2.315 702 H LEU 87 H LEU 87 19.976 6.549 -3.543 703 HA LEU 87 HA LEU 87 22.091 4.809 -2.950 704 HB2 LEU 87 HB2 LEU 87 19.205 4.854 -2.559 705 HB3 LEU 87 HB3 LEU 87 19.858 3.237 -2.728 706 HG LEU 87 HG LEU 87 21.480 3.782 -0.901 707 HD11 LEU 87 HD11 LEU 87 19.721 6.198 -0.524 708 HD12 LEU 87 HD12 LEU 87 21.397 6.222 -1.075 709 HD13 LEU 87 HD13 LEU 87 21.010 5.665 0.554 710 HD21 LEU 87 HD21 LEU 87 18.546 3.931 -0.282 711 HD22 LEU 87 HD22 LEU 87 19.817 3.534 0.873 712 HD23 LEU 87 HD23 LEU 87 19.510 2.473 -0.498 713 H PHE 88 H PHE 88 19.525 4.536 -5.381 714 HA PHE 88 HA PHE 88 20.196 2.030 -6.402 715 HB2 PHE 88 HB2 PHE 88 18.161 2.800 -7.171 716 HB3 PHE 88 HB3 PHE 88 18.753 4.428 -7.444 717 HD1 PHE 88 HD1 PHE 88 19.811 1.091 -8.775 718 HD2 PHE 88 HD2 PHE 88 18.407 5.017 -9.608 719 HE1 PHE 88 HE1 PHE 88 20.008 0.646 -11.181 720 HE2 PHE 88 HE2 PHE 88 18.585 4.573 -12.017 721 HZ PHE 88 HZ PHE 88 19.397 2.396 -12.806 722 H GLU 89 H GLU 89 21.601 5.196 -7.082 723 HA GLU 89 HA GLU 89 23.219 4.202 -9.225 724 HB2 GLU 89 HB2 GLU 89 23.359 6.753 -7.636 725 HB3 GLU 89 HB3 GLU 89 24.408 6.389 -8.997 726 HG2 GLU 89 HG2 GLU 89 22.373 6.158 -10.401 727 HG3 GLU 89 HG3 GLU 89 21.435 6.735 -9.023 728 H GLU 90 H GLU 90 23.742 4.733 -5.744 729 HA GLU 90 HA GLU 90 26.601 4.424 -6.181 730 HB2 GLU 90 HB2 GLU 90 26.862 5.155 -3.885 731 HB3 GLU 90 HB3 GLU 90 25.839 6.254 -4.799 732 HG2 GLU 90 HG2 GLU 90 23.871 5.359 -3.762 733 HG3 GLU 90 HG3 GLU 90 24.830 4.139 -2.922 734 H PHE 91 H PHE 91 23.955 2.575 -4.884 735 HA PHE 91 HA PHE 91 25.816 0.551 -3.873 736 HB2 PHE 91 HB2 PHE 91 22.814 0.835 -3.744 737 HB3 PHE 91 HB3 PHE 91 23.642 -0.637 -3.246 738 HD1 PHE 91 HD1 PHE 91 24.955 -0.696 -1.224 739 HD2 PHE 91 HD2 PHE 91 23.024 2.887 -2.447 740 HE1 PHE 91 HE1 PHE 91 25.330 0.258 1.010 741 HE2 PHE 91 HE2 PHE 91 23.395 3.852 -0.211 742 HZ PHE 91 HZ PHE 91 24.546 2.538 1.518 743 H ARG 92 H ARG 92 25.156 1.377 -6.750 744 HA ARG 92 HA ARG 92 23.833 -0.914 -7.871 745 HB2 ARG 92 HB2 ARG 92 23.696 1.519 -8.668 746 HB3 ARG 92 HB3 ARG 92 25.263 1.233 -9.411 747 HG2 ARG 92 HG2 ARG 92 24.330 -0.518 -10.782 748 HG3 ARG 92 HG3 ARG 92 22.770 -0.346 -9.988 749 HD2 ARG 92 HD2 ARG 92 22.398 1.774 -10.913 750 HD3 ARG 92 HD3 ARG 92 24.085 1.963 -11.371 751 HE ARG 92 HE ARG 92 23.056 -0.254 -12.734 752 HH11 ARG 92 HH11 ARG 92 22.618 3.221 -12.638 753 HH12 ARG 92 HH12 ARG 92 22.214 3.346 -14.320 754 HH21 ARG 92 HH21 ARG 92 22.581 -0.087 -14.956 755 HH22 ARG 92 HH22 ARG 92 22.187 1.461 -15.639 756 H ASP 93 H ASP 93 27.016 -0.229 -6.987 757 HA ASP 93 HA ASP 93 28.232 -1.805 -9.101 758 HB2 ASP 93 HB2 ASP 93 30.353 -1.268 -8.095 759 HB3 ASP 93 HB3 ASP 93 29.383 0.197 -8.164 760 H SER 94 H SER 94 26.460 -2.652 -6.563 761 HA SER 94 HA SER 94 28.098 -5.008 -5.957 762 HB2 SER 94 HB2 SER 94 26.517 -5.398 -4.070 763 HB3 SER 94 HB3 SER 94 27.378 -3.866 -3.949 764 HG SER 94 HG SER 94 25.331 -3.079 -5.125 765 H ASP 95 H ASP 95 26.573 -7.017 -5.525 766 HA ASP 95 HA ASP 95 25.779 -7.713 -8.136 767 HB2 ASP 95 HB2 ASP 95 25.510 -9.183 -5.522 768 HB3 ASP 95 HB3 ASP 95 25.078 -9.882 -7.082 769 H ASP 96 H ASP 96 23.954 -6.594 -5.393 770 HA ASP 96 HA ASP 96 21.579 -6.533 -7.088 771 HB2 ASP 96 HB2 ASP 96 21.248 -8.602 -5.924 772 HB3 ASP 96 HB3 ASP 96 21.702 -7.881 -4.389 773 H VAL 97 H VAL 97 21.231 -4.427 -7.178 774 HA VAL 97 HA VAL 97 22.142 -2.536 -5.303 775 HB VAL 97 HB VAL 97 19.808 -1.945 -7.092 776 HG11 VAL 97 HG11 VAL 97 20.562 -0.133 -5.709 777 HG12 VAL 97 HG12 VAL 97 20.985 0.199 -7.395 778 HG13 VAL 97 HG13 VAL 97 22.222 -0.356 -6.263 779 HG21 VAL 97 HG21 VAL 97 21.127 -3.122 -8.603 780 HG22 VAL 97 HG22 VAL 97 22.620 -2.429 -7.967 781 HG23 VAL 97 HG23 VAL 97 21.493 -1.418 -8.875 782 H LEU 98 H LEU 98 18.888 -3.743 -5.991 783 HA LEU 98 HA LEU 98 17.586 -1.997 -4.227 784 HB2 LEU 98 HB2 LEU 98 16.597 -4.632 -5.297 785 HB3 LEU 98 HB3 LEU 98 15.606 -3.376 -4.582 786 HG LEU 98 HG LEU 98 16.756 -1.963 -6.573 787 HD11 LEU 98 HD11 LEU 98 16.689 -3.377 -8.606 788 HD12 LEU 98 HD12 LEU 98 16.578 -4.798 -7.568 789 HD13 LEU 98 HD13 LEU 98 18.011 -3.770 -7.507 790 HD21 LEU 98 HD21 LEU 98 14.323 -3.720 -6.857 791 HD22 LEU 98 HD22 LEU 98 14.681 -2.279 -7.808 792 HD23 LEU 98 HD23 LEU 98 14.363 -2.140 -6.077 793 H GLY 99 H GLY 99 19.094 -5.083 -3.715 794 HA2 GLY 99 HA2 GLY 99 17.822 -5.752 -1.267 795 HA3 GLY 99 HA3 GLY 99 19.390 -6.340 -1.812 796 H HIS 100 H HIS 100 20.829 -4.018 -1.985 797 HA HIS 100 HA HIS 100 21.378 -3.491 0.778 798 HB2 HIS 100 HB2 HIS 100 22.546 -2.351 -1.769 799 HB3 HIS 100 HB3 HIS 100 23.096 -1.900 -0.159 800 HD1 HIS 100 HD1 HIS 100 24.705 -3.452 0.999 801 HD2 HIS 100 HD2 HIS 100 23.119 -5.077 -2.481 802 HE1 HIS 100 HE1 HIS 100 26.031 -5.539 0.564 803 HE2 HIS 100 HE2 HIS 100 24.914 -6.607 -1.424 804 H ILE 101 H ILE 101 19.723 -1.940 -1.844 805 HA ILE 101 HA ILE 101 19.325 0.597 -0.790 806 HB ILE 101 HB ILE 101 17.605 -1.131 -2.555 807 HG12 ILE 101 HG12 ILE 101 19.208 1.388 -3.034 808 HG13 ILE 101 HG13 ILE 101 19.648 -0.238 -3.539 809 HG21 ILE 101 HG21 ILE 101 16.058 0.258 -1.309 810 HG22 ILE 101 HG22 ILE 101 16.180 0.839 -2.970 811 HG23 ILE 101 HG23 ILE 101 17.012 1.696 -1.673 812 HD11 ILE 101 HD11 ILE 101 17.248 1.294 -4.513 813 HD12 ILE 101 HD12 ILE 101 17.762 -0.299 -5.060 814 HD13 ILE 101 HD13 ILE 101 18.769 1.109 -5.381 815 H MET 102 H MET 102 17.220 -2.267 -0.453 816 HA MET 102 HA MET 102 15.362 -1.081 1.270 817 HB2 MET 102 HB2 MET 102 16.132 -3.987 1.019 818 HB3 MET 102 HB3 MET 102 14.706 -3.389 1.862 819 HG2 MET 102 HG2 MET 102 13.816 -2.507 -0.192 820 HG3 MET 102 HG3 MET 102 15.274 -2.980 -1.061 821 HE1 MET 102 HE1 MET 102 12.437 -5.379 -2.364 822 HE2 MET 102 HE2 MET 102 13.603 -4.133 -2.809 823 HE3 MET 102 HE3 MET 102 12.214 -3.721 -1.801 824 H LYS 103 H LYS 103 18.385 -2.725 1.945 825 HA LYS 103 HA LYS 103 17.905 -2.902 4.765 826 HB2 LYS 103 HB2 LYS 103 20.168 -3.556 2.940 827 HB3 LYS 103 HB3 LYS 103 20.512 -3.362 4.650 828 HG2 LYS 103 HG2 LYS 103 20.134 -5.700 4.021 829 HG3 LYS 103 HG3 LYS 103 18.970 -5.128 5.212 830 HD2 LYS 103 HD2 LYS 103 17.276 -4.895 3.510 831 HD3 LYS 103 HD3 LYS 103 18.443 -5.289 2.246 832 HE2 LYS 103 HE2 LYS 103 16.966 -7.184 2.833 833 HE3 LYS 103 HE3 LYS 103 18.671 -7.533 3.089 834 HZ1 LYS 103 HZ1 LYS 103 17.263 -8.312 4.912 835 HZ2 LYS 103 HZ2 LYS 103 16.769 -6.726 5.218 836 HZ3 LYS 103 HZ3 LYS 103 18.387 -7.164 5.437 837 H ASN 104 H ASN 104 19.113 -0.456 2.670 838 HA ASN 104 HA ASN 104 20.394 0.925 4.924 839 HB2 ASN 104 HB2 ASN 104 21.652 0.714 2.778 840 HB3 ASN 104 HB3 ASN 104 20.413 1.691 1.996 841 HD21 ASN 104 HD21 ASN 104 20.270 3.898 2.495 842 HD22 ASN 104 HD22 ASN 104 21.556 4.744 3.276 843 H ILE 105 H ILE 105 17.562 1.049 2.919 844 HA ILE 105 HA ILE 105 17.175 3.888 3.423 845 HB ILE 105 HB ILE 105 16.754 2.892 1.185 846 HG12 ILE 105 HG12 ILE 105 14.438 4.033 0.934 847 HG13 ILE 105 HG13 ILE 105 14.653 4.458 2.628 848 HG21 ILE 105 HG21 ILE 105 15.702 0.814 1.853 849 HG22 ILE 105 HG22 ILE 105 14.644 1.724 0.776 850 HG23 ILE 105 HG23 ILE 105 14.331 1.703 2.513 851 HD11 ILE 105 HD11 ILE 105 16.791 5.542 2.033 852 HD12 ILE 105 HD12 ILE 105 15.387 6.273 1.258 853 HD13 ILE 105 HD13 ILE 105 16.448 5.207 0.337 854 H THR 106 H THR 106 15.393 4.779 4.385 855 HA THR 106 HA THR 106 14.475 3.406 6.690 856 HB THR 106 HB THR 106 14.988 5.904 6.336 857 HG1 THR 106 HG1 THR 106 14.185 5.840 8.291 858 HG21 THR 106 HG21 THR 106 12.118 5.838 5.403 859 HG22 THR 106 HG22 THR 106 13.520 6.358 4.469 860 HG23 THR 106 HG23 THR 106 12.991 7.296 5.867 861 H ALA 107 H ALA 107 13.155 3.965 3.512 862 HA ALA 107 HA ALA 107 10.466 3.228 4.343 863 HB1 ALA 107 HB1 ALA 107 9.832 3.699 2.038 864 HB2 ALA 107 HB2 ALA 107 11.529 3.908 1.602 865 HB3 ALA 107 HB3 ALA 107 10.758 5.042 2.713 866 H LYS 108 H LYS 108 9.698 1.219 4.232 867 HA LYS 108 HA LYS 108 11.295 -0.823 2.910 868 HB2 LYS 108 HB2 LYS 108 8.791 -1.065 4.584 869 HB3 LYS 108 HB3 LYS 108 9.716 -2.416 3.948 870 HG2 LYS 108 HG2 LYS 108 10.832 -0.367 5.851 871 HG3 LYS 108 HG3 LYS 108 10.123 -1.897 6.354 872 HD2 LYS 108 HD2 LYS 108 12.284 -2.570 6.268 873 HD3 LYS 108 HD3 LYS 108 11.887 -2.819 4.571 874 HE2 LYS 108 HE2 LYS 108 14.020 -1.668 4.808 875 HE3 LYS 108 HE3 LYS 108 12.840 -0.625 4.026 876 HZ1 LYS 108 HZ1 LYS 108 14.078 0.600 5.667 877 HZ2 LYS 108 HZ2 LYS 108 13.670 -0.514 6.870 878 HZ3 LYS 108 HZ3 LYS 108 12.469 0.458 6.184 879 H ARG 109 H ARG 109 11.058 -0.832 0.831 880 HA ARG 109 HA ARG 109 8.346 -0.753 -0.314 881 HB2 ARG 109 HB2 ARG 109 10.954 0.159 -1.555 882 HB3 ARG 109 HB3 ARG 109 9.386 0.183 -2.348 883 HG2 ARG 109 HG2 ARG 109 8.588 1.894 -0.938 884 HG3 ARG 109 HG3 ARG 109 9.939 1.703 0.181 885 HD2 ARG 109 HD2 ARG 109 10.231 2.583 -2.686 886 HD3 ARG 109 HD3 ARG 109 10.113 3.696 -1.323 887 HE ARG 109 HE ARG 109 12.213 1.665 -1.247 888 HH11 ARG 109 HH11 ARG 109 11.363 5.017 -1.809 889 HH12 ARG 109 HH12 ARG 109 12.979 5.591 -1.592 890 HH21 ARG 109 HH21 ARG 109 14.348 2.425 -0.974 891 HH22 ARG 109 HH22 ARG 109 14.678 4.119 -1.110 892 H SER 110 H SER 110 7.894 -2.246 -1.922 893 HA SER 110 HA SER 110 9.551 -4.617 -1.878 894 HB2 SER 110 HB2 SER 110 7.099 -4.826 -1.704 895 HB3 SER 110 HB3 SER 110 6.923 -4.084 -3.294 896 HG SER 110 HG SER 110 7.324 -6.641 -2.705 897 H ARG 111 H ARG 111 10.130 -5.718 -3.911 898 HA ARG 111 HA ARG 111 11.674 -4.126 -5.598 899 HB2 ARG 111 HB2 ARG 111 10.526 -6.878 -6.099 900 HB3 ARG 111 HB3 ARG 111 11.773 -6.129 -7.083 901 HG2 ARG 111 HG2 ARG 111 12.065 -6.670 -4.139 902 HG3 ARG 111 HG3 ARG 111 12.613 -7.766 -5.408 903 HD2 ARG 111 HD2 ARG 111 14.144 -6.134 -6.246 904 HD3 ARG 111 HD3 ARG 111 13.495 -4.900 -5.170 905 HE ARG 111 HE ARG 111 14.397 -6.258 -3.310 906 HH11 ARG 111 HH11 ARG 111 15.754 -6.606 -6.523 907 HH12 ARG 111 HH12 ARG 111 17.304 -7.155 -5.942 908 HH21 ARG 111 HH21 ARG 111 16.396 -7.057 -2.562 909 HH22 ARG 111 HH22 ARG 111 17.660 -7.421 -3.706 910 H ALA 112 H ALA 112 8.412 -5.383 -6.004 911 HA ALA 112 HA ALA 112 7.976 -4.625 -8.655 912 HB1 ALA 112 HB1 ALA 112 5.977 -4.803 -6.404 913 HB2 ALA 112 HB2 ALA 112 6.501 -6.136 -7.433 914 HB3 ALA 112 HB3 ALA 112 5.596 -4.790 -8.124 915 H ARG 113 H ARG 113 7.695 -2.769 -5.665 916 HA ARG 113 HA ARG 113 6.379 -0.548 -6.907 917 HB2 ARG 113 HB2 ARG 113 7.913 -0.566 -4.308 918 HB3 ARG 113 HB3 ARG 113 6.757 0.648 -4.834 919 HG2 ARG 113 HG2 ARG 113 5.029 -1.213 -4.819 920 HG3 ARG 113 HG3 ARG 113 6.233 -2.168 -3.944 921 HD2 ARG 113 HD2 ARG 113 6.404 -0.101 -2.405 922 HD3 ARG 113 HD3 ARG 113 4.860 0.361 -3.115 923 HE ARG 113 HE ARG 113 4.886 -2.329 -2.082 924 HH11 ARG 113 HH11 ARG 113 4.283 1.046 -1.343 925 HH12 ARG 113 HH12 ARG 113 3.345 0.705 0.070 926 HH21 ARG 113 HH21 ARG 113 3.658 -2.770 -0.201 927 HH22 ARG 113 HH22 ARG 113 2.987 -1.458 0.719 928 H ILE 114 H ILE 114 9.700 -1.393 -6.112 929 HA ILE 114 HA ILE 114 10.700 1.240 -6.566 930 HB ILE 114 HB ILE 114 12.171 -1.385 -6.312 931 HG12 ILE 114 HG12 ILE 114 11.803 0.891 -4.353 932 HG13 ILE 114 HG13 ILE 114 10.920 -0.630 -4.301 933 HG21 ILE 114 HG21 ILE 114 13.520 0.187 -7.572 934 HG22 ILE 114 HG22 ILE 114 14.179 0.001 -5.946 935 HG23 ILE 114 HG23 ILE 114 13.241 1.433 -6.358 936 HD11 ILE 114 HD11 ILE 114 13.889 -0.286 -3.973 937 HD12 ILE 114 HD12 ILE 114 13.027 -1.827 -3.933 938 HD13 ILE 114 HD13 ILE 114 12.727 -0.610 -2.690 939 H VAL 115 H VAL 115 10.930 -1.824 -8.405 940 HA VAL 115 HA VAL 115 12.485 -0.728 -10.486 941 HB VAL 115 HB VAL 115 11.991 -2.709 -11.783 942 HG11 VAL 115 HG11 VAL 115 13.606 -2.923 -9.964 943 HG12 VAL 115 HG12 VAL 115 12.729 -4.432 -10.215 944 HG13 VAL 115 HG13 VAL 115 12.309 -3.384 -8.861 945 HG21 VAL 115 HG21 VAL 115 9.595 -2.882 -11.387 946 HG22 VAL 115 HG22 VAL 115 9.896 -3.354 -9.715 947 HG23 VAL 115 HG23 VAL 115 10.407 -4.407 -11.034 948 H ASP 116 H ASP 116 9.017 -1.021 -10.030 949 HA ASP 116 HA ASP 116 8.117 -0.172 -12.532 950 HB2 ASP 116 HB2 ASP 116 6.565 -1.056 -10.968 951 HB3 ASP 116 HB3 ASP 116 7.004 0.121 -9.740 952 H LYS 117 H LYS 117 9.179 1.648 -9.713 953 HA LYS 117 HA LYS 117 8.387 4.150 -10.877 954 HB2 LYS 117 HB2 LYS 117 9.631 3.321 -8.290 955 HB3 LYS 117 HB3 LYS 117 9.681 5.013 -8.777 956 HG2 LYS 117 HG2 LYS 117 7.106 3.488 -8.806 957 HG3 LYS 117 HG3 LYS 117 7.727 4.198 -7.313 958 HD2 LYS 117 HD2 LYS 117 7.275 6.298 -7.965 959 HD3 LYS 117 HD3 LYS 117 7.744 5.993 -9.643 960 HE2 LYS 117 HE2 LYS 117 5.151 5.123 -8.369 961 HE3 LYS 117 HE3 LYS 117 5.349 6.544 -9.387 962 HZ1 LYS 117 HZ1 LYS 117 5.800 3.723 -10.246 963 HZ2 LYS 117 HZ2 LYS 117 5.989 5.099 -11.217 964 HZ3 LYS 117 HZ3 LYS 117 4.462 4.685 -10.638 965 H LEU 118 H LEU 118 11.395 2.336 -10.598 966 HA LEU 118 HA LEU 118 13.122 4.431 -11.359 967 HB2 LEU 118 HB2 LEU 118 13.331 1.473 -11.860 968 HB3 LEU 118 HB3 LEU 118 14.591 2.613 -12.284 969 HG LEU 118 HG LEU 118 13.747 1.629 -9.602 970 HD11 LEU 118 HD11 LEU 118 15.652 0.647 -10.716 971 HD12 LEU 118 HD12 LEU 118 16.185 1.565 -9.307 972 HD13 LEU 118 HD13 LEU 118 16.380 2.240 -10.927 973 HD21 LEU 118 HD21 LEU 118 15.102 4.282 -10.069 974 HD22 LEU 118 HD22 LEU 118 14.911 3.482 -8.509 975 HD23 LEU 118 HD23 LEU 118 13.491 4.048 -9.390 976 H LEU 119 H LEU 119 11.249 2.138 -13.277 977 HA LEU 119 HA LEU 119 12.183 3.036 -15.807 978 HB2 LEU 119 HB2 LEU 119 9.830 1.433 -14.874 979 HB3 LEU 119 HB3 LEU 119 9.895 1.990 -16.533 980 HG LEU 119 HG LEU 119 10.676 -0.315 -16.355 981 HD11 LEU 119 HD11 LEU 119 11.608 1.120 -18.090 982 HD12 LEU 119 HD12 LEU 119 12.784 -0.073 -17.540 983 HD13 LEU 119 HD13 LEU 119 12.909 1.599 -17.001 984 HD21 LEU 119 HD21 LEU 119 12.854 0.783 -14.574 985 HD22 LEU 119 HD22 LEU 119 12.768 -0.863 -15.204 986 HD23 LEU 119 HD23 LEU 119 11.536 -0.285 -14.075 987 H ALA 120 H ALA 120 9.822 4.165 -13.579 988 HA ALA 120 HA ALA 120 8.392 5.754 -15.525 989 HB1 ALA 120 HB1 ALA 120 8.153 5.726 -12.522 990 HB2 ALA 120 HB2 ALA 120 7.266 4.670 -13.621 991 HB3 ALA 120 HB3 ALA 120 7.002 6.416 -13.668 992 H LEU 121 H LEU 121 10.554 6.357 -12.762 993 HA LEU 121 HA LEU 121 10.733 9.155 -13.038 994 HB2 LEU 121 HB2 LEU 121 12.413 7.027 -11.797 995 HB3 LEU 121 HB3 LEU 121 13.108 8.618 -12.006 996 HG LEU 121 HG LEU 121 11.407 9.592 -10.587 997 HD11 LEU 121 HD11 LEU 121 10.313 6.800 -10.315 998 HD12 LEU 121 HD12 LEU 121 9.514 8.166 -11.095 999 HD13 LEU 121 HD13 LEU 121 9.816 8.196 -9.357 1000 HD21 LEU 121 HD21 LEU 121 12.762 7.160 -9.444 1001 HD22 LEU 121 HD22 LEU 121 12.048 8.455 -8.482 1002 HD23 LEU 121 HD23 LEU 121 13.414 8.795 -9.544 1003 H GLY 122 H GLY 122 12.097 6.552 -14.818 1004 HA2 GLY 122 HA2 GLY 122 13.436 6.554 -16.695 1005 HA3 GLY 122 HA3 GLY 122 13.476 8.312 -16.624 1006 H LEU 123 H LEU 123 14.321 6.210 -13.959 1007 HA LEU 123 HA LEU 123 16.980 7.352 -13.861 1008 HB2 LEU 123 HB2 LEU 123 15.567 5.345 -12.108 1009 HB3 LEU 123 HB3 LEU 123 17.212 5.887 -11.833 1010 HG LEU 123 HG LEU 123 14.699 7.536 -11.663 1011 HD11 LEU 123 HD11 LEU 123 16.779 6.745 -9.635 1012 HD12 LEU 123 HD12 LEU 123 15.109 6.183 -9.715 1013 HD13 LEU 123 HD13 LEU 123 15.454 7.870 -9.341 1014 HD21 LEU 123 HD21 LEU 123 16.190 9.405 -11.024 1015 HD22 LEU 123 HD22 LEU 123 16.376 8.913 -12.706 1016 HD23 LEU 123 HD23 LEU 123 17.575 8.426 -11.508 1017 H VAL 124 H VAL 124 15.396 4.652 -15.125 1018 HA VAL 124 HA VAL 124 17.897 3.710 -16.227 1019 HB VAL 124 HB VAL 124 17.209 2.413 -14.115 1020 HG11 VAL 124 HG11 VAL 124 15.781 0.418 -14.657 1021 HG12 VAL 124 HG12 VAL 124 15.228 1.351 -16.049 1022 HG13 VAL 124 HG13 VAL 124 14.961 1.959 -14.417 1023 HG21 VAL 124 HG21 VAL 124 17.738 0.526 -16.271 1024 HG22 VAL 124 HG22 VAL 124 18.546 0.747 -14.719 1025 HG23 VAL 124 HG23 VAL 124 18.859 1.862 -16.047 1026 H ALA 125 H ALA 125 17.249 1.762 -17.651 1027 HA ALA 125 HA ALA 125 14.922 2.594 -19.272 1028 HB1 ALA 125 HB1 ALA 125 17.511 1.428 -20.294 1029 HB2 ALA 125 HB2 ALA 125 17.068 3.133 -20.356 1030 HB3 ALA 125 HB3 ALA 125 16.136 1.949 -21.271 1031 H GLU 126 H GLU 126 16.075 0.230 -17.309 1032 HA GLU 126 HA GLU 126 14.403 -1.875 -18.192 1033 HB2 GLU 126 HB2 GLU 126 16.284 -3.399 -18.954 1034 HB3 GLU 126 HB3 GLU 126 15.886 -2.089 -20.063 1035 HG2 GLU 126 HG2 GLU 126 17.748 -0.807 -18.790 1036 HG3 GLU 126 HG3 GLU 126 18.260 -2.412 -18.293 1037 H ARG 127 H ARG 127 14.494 -3.673 -16.748 1038 HA ARG 127 HA ARG 127 15.350 -2.913 -14.143 1039 HB2 ARG 127 HB2 ARG 127 14.165 -5.476 -15.199 1040 HB3 ARG 127 HB3 ARG 127 14.548 -5.220 -13.501 1041 HG2 ARG 127 HG2 ARG 127 13.027 -3.272 -13.492 1042 HG3 ARG 127 HG3 ARG 127 12.590 -3.647 -15.160 1043 HD2 ARG 127 HD2 ARG 127 12.236 -5.498 -12.810 1044 HD3 ARG 127 HD3 ARG 127 10.963 -4.499 -13.506 1045 HE ARG 127 HE ARG 127 12.260 -6.798 -14.813 1046 HH11 ARG 127 HH11 ARG 127 9.634 -4.496 -14.602 1047 HH12 ARG 127 HH12 ARG 127 8.654 -5.313 -15.770 1048 HH21 ARG 127 HH21 ARG 127 10.949 -7.893 -16.349 1049 HH22 ARG 127 HH22 ARG 127 9.400 -7.235 -16.763 1050 H ARG 128 H ARG 128 16.689 -4.955 -16.604 1051 HA ARG 128 HA ARG 128 18.463 -6.451 -15.017 1052 HB2 ARG 128 HB2 ARG 128 19.647 -6.889 -17.140 1053 HB3 ARG 128 HB3 ARG 128 17.907 -7.127 -17.257 1054 HG2 ARG 128 HG2 ARG 128 17.782 -4.781 -18.195 1055 HG3 ARG 128 HG3 ARG 128 19.539 -4.845 -18.316 1056 HD2 ARG 128 HD2 ARG 128 19.476 -6.596 -19.867 1057 HD3 ARG 128 HD3 ARG 128 17.781 -6.950 -19.524 1058 HE ARG 128 HE ARG 128 18.708 -4.492 -20.878 1059 HH11 ARG 128 HH11 ARG 128 16.342 -7.035 -20.406 1060 HH12 ARG 128 HH12 ARG 128 15.312 -6.495 -21.692 1061 HH21 ARG 128 HH21 ARG 128 17.348 -3.763 -22.563 1062 HH22 ARG 128 HH22 ARG 128 15.885 -4.620 -22.918 1063 H GLU 129 H GLU 129 18.535 -3.156 -15.612 1064 HA GLU 129 HA GLU 129 21.433 -2.924 -15.505 1065 HB2 GLU 129 HB2 GLU 129 19.205 -0.915 -15.671 1066 HB3 GLU 129 HB3 GLU 129 20.896 -0.455 -15.512 1067 HG2 GLU 129 HG2 GLU 129 19.993 -2.284 -17.687 1068 HG3 GLU 129 HG3 GLU 129 19.825 -0.537 -17.843 1069 H LEU 130 H LEU 130 18.704 -2.815 -13.419 1070 HA LEU 130 HA LEU 130 20.290 -1.739 -11.215 1071 HB2 LEU 130 HB2 LEU 130 17.952 -2.158 -10.033 1072 HB3 LEU 130 HB3 LEU 130 18.272 -0.719 -10.977 1073 HG LEU 130 HG LEU 130 17.107 -3.015 -12.445 1074 HD11 LEU 130 HD11 LEU 130 15.810 -3.120 -10.425 1075 HD12 LEU 130 HD12 LEU 130 14.845 -2.396 -11.713 1076 HD13 LEU 130 HD13 LEU 130 15.554 -1.377 -10.461 1077 HD21 LEU 130 HD21 LEU 130 17.520 -0.994 -13.650 1078 HD22 LEU 130 HD22 LEU 130 16.703 -0.028 -12.420 1079 HD23 LEU 130 HD23 LEU 130 15.775 -1.139 -13.429 1080 H TYR 131 H TYR 131 20.144 -4.512 -12.657 1081 HA TYR 131 HA TYR 131 20.673 -5.988 -10.175 1082 HB2 TYR 131 HB2 TYR 131 19.307 -7.054 -12.661 1083 HB3 TYR 131 HB3 TYR 131 19.903 -8.065 -11.353 1084 HD1 TYR 131 HD1 TYR 131 18.892 -7.714 -9.031 1085 HD2 TYR 131 HD2 TYR 131 17.159 -6.142 -12.582 1086 HE1 TYR 131 HE1 TYR 131 16.736 -7.497 -7.877 1087 HE2 TYR 131 HE2 TYR 131 14.998 -5.915 -11.438 1088 HH TYR 131 HH TYR 131 13.829 -6.894 -9.521 1089 H LYS 132 H LYS 132 22.816 -6.233 -10.157 1090 HA LYS 132 HA LYS 132 24.433 -6.170 -12.481 1091 HB2 LYS 132 HB2 LYS 132 25.319 -5.492 -10.332 1092 HB3 LYS 132 HB3 LYS 132 25.016 -7.088 -9.667 1093 HG2 LYS 132 HG2 LYS 132 26.722 -8.049 -11.066 1094 HG3 LYS 132 HG3 LYS 132 26.955 -6.510 -11.896 1095 HD2 LYS 132 HD2 LYS 132 27.841 -5.489 -9.944 1096 HD3 LYS 132 HD3 LYS 132 27.343 -6.843 -8.930 1097 HE2 LYS 132 HE2 LYS 132 29.373 -7.028 -11.144 1098 HE3 LYS 132 HE3 LYS 132 29.772 -6.798 -9.443 1099 HZ1 LYS 132 HZ1 LYS 132 28.594 -8.913 -8.979 1100 HZ2 LYS 132 HZ2 LYS 132 29.952 -9.105 -9.972 1101 HZ3 LYS 132 HZ3 LYS 132 28.403 -9.140 -10.647 1102 H LYS 133 H LYS 133 24.004 -7.665 -13.963 1103 HA LYS 133 HA LYS 133 23.932 -10.496 -13.160 1104 HB2 LYS 133 HB2 LYS 133 21.695 -9.246 -13.661 1105 HB3 LYS 133 HB3 LYS 133 22.190 -9.383 -15.336 1106 HG2 LYS 133 HG2 LYS 133 20.727 -11.183 -14.893 1107 HG3 LYS 133 HG3 LYS 133 22.353 -11.863 -14.976 1108 HD2 LYS 133 HD2 LYS 133 22.487 -11.996 -12.589 1109 HD3 LYS 133 HD3 LYS 133 20.979 -11.099 -12.404 1110 HE2 LYS 133 HE2 LYS 133 19.780 -12.931 -13.524 1111 HE3 LYS 133 HE3 LYS 133 21.292 -13.830 -13.641 1112 HZ1 LYS 133 HZ1 LYS 133 19.961 -14.535 -11.749 1113 HZ2 LYS 133 HZ2 LYS 133 20.000 -12.970 -11.110 1114 HZ3 LYS 133 HZ3 LYS 133 21.429 -13.868 -11.243 1115 H ARG 134 H ARG 134 24.503 -11.974 -14.881 1116 HA ARG 134 HA ARG 134 26.272 -10.732 -16.847 1117 HB2 ARG 134 HB2 ARG 134 25.963 -13.679 -16.288 1118 HB3 ARG 134 HB3 ARG 134 27.271 -12.884 -17.150 1119 HG2 ARG 134 HG2 ARG 134 26.694 -12.867 -14.205 1120 HG3 ARG 134 HG3 ARG 134 28.143 -13.427 -15.038 1121 HD2 ARG 134 HD2 ARG 134 28.514 -11.046 -15.764 1122 HD3 ARG 134 HD3 ARG 134 27.193 -10.590 -14.681 1123 HE ARG 134 HE ARG 134 29.007 -12.093 -13.189 1124 HH11 ARG 134 HH11 ARG 134 28.901 -9.016 -14.859 1125 HH12 ARG 134 HH12 ARG 134 30.131 -8.290 -13.868 1126 HH21 ARG 134 HH21 ARG 134 30.609 -11.138 -11.872 1127 HH22 ARG 134 HH22 ARG 134 31.100 -9.498 -12.174 1128 H GLN 135 H GLN 135 24.883 -9.968 -18.361 1129 HA GLN 135 HA GLN 135 22.740 -11.551 -19.424 1130 HB2 GLN 135 HB2 GLN 135 23.925 -8.913 -20.310 1131 HB3 GLN 135 HB3 GLN 135 22.548 -9.672 -21.091 1132 HG2 GLN 135 HG2 GLN 135 21.173 -9.383 -19.191 1133 HG3 GLN 135 HG3 GLN 135 22.560 -8.971 -18.167 1134 HE21 GLN 135 HE21 GLN 135 21.781 -6.982 -17.541 1135 HE22 GLN 135 HE22 GLN 135 21.618 -5.640 -18.622 1136 H LYS 136 H LYS 136 22.631 -12.567 -21.375 1137 HA LYS 136 HA LYS 136 25.170 -13.370 -22.551 1138 HB2 LYS 136 HB2 LYS 136 22.612 -14.327 -23.726 1139 HB3 LYS 136 HB3 LYS 136 24.076 -15.223 -23.363 1140 HG2 LYS 136 HG2 LYS 136 21.935 -14.418 -21.400 1141 HG3 LYS 136 HG3 LYS 136 22.227 -16.028 -22.042 1142 HD2 LYS 136 HD2 LYS 136 24.396 -16.100 -20.941 1143 HD3 LYS 136 HD3 LYS 136 24.158 -14.457 -20.335 1144 HE2 LYS 136 HE2 LYS 136 22.150 -15.234 -19.119 1145 HE3 LYS 136 HE3 LYS 136 22.479 -16.875 -19.667 1146 HZ1 LYS 136 HZ1 LYS 136 24.315 -15.251 -17.995 1147 HZ2 LYS 136 HZ2 LYS 136 24.543 -16.863 -18.460 1148 HZ3 LYS 136 HZ3 LYS 136 23.281 -16.456 -17.414 1149 H LYS 137 H LYS 137 23.906 -13.824 -25.229 1150 HA LYS 137 HA LYS 137 24.012 -11.355 -26.526 1151 HB2 LYS 137 HB2 LYS 137 23.921 -13.601 -27.643 1152 HB3 LYS 137 HB3 LYS 137 22.233 -13.724 -27.193 1153 HG2 LYS 137 HG2 LYS 137 23.222 -11.472 -28.904 1154 HG3 LYS 137 HG3 LYS 137 22.817 -13.046 -29.589 1155 HD2 LYS 137 HD2 LYS 137 20.567 -12.783 -28.399 1156 HD3 LYS 137 HD3 LYS 137 21.016 -11.091 -28.183 1157 HE2 LYS 137 HE2 LYS 137 20.664 -12.577 -30.780 1158 HE3 LYS 137 HE3 LYS 137 19.655 -11.283 -30.142 1159 HZ1 LYS 137 HZ1 LYS 137 22.469 -11.042 -31.057 1160 HZ2 LYS 137 HZ2 LYS 137 21.585 -9.795 -30.336 1161 HZ3 LYS 137 HZ3 LYS 137 21.098 -10.420 -31.825 1162 H LEU 138 H LEU 138 22.327 -9.849 -27.041 1163 HA LEU 138 HA LEU 138 20.991 -8.925 -24.867 1164 HB2 LEU 138 HB2 LEU 138 21.406 -7.628 -26.900 1165 HB3 LEU 138 HB3 LEU 138 20.169 -8.546 -27.740 1166 HG LEU 138 HG LEU 138 18.460 -7.630 -26.216 1167 HD11 LEU 138 HD11 LEU 138 19.047 -5.739 -24.759 1168 HD12 LEU 138 HD12 LEU 138 20.753 -6.020 -25.106 1169 HD13 LEU 138 HD13 LEU 138 19.813 -7.242 -24.250 1170 HD21 LEU 138 HD21 LEU 138 18.451 -5.374 -27.111 1171 HD22 LEU 138 HD22 LEU 138 18.943 -6.530 -28.348 1172 HD23 LEU 138 HD23 LEU 138 20.152 -5.524 -27.550 1173 H ALA 139 H ALA 139 19.675 -10.057 -23.664 1174 HA ALA 139 HA ALA 139 17.249 -11.198 -24.877 1175 HB1 ALA 139 HB1 ALA 139 18.784 -12.963 -24.079 1176 HB2 ALA 139 HB2 ALA 139 17.274 -12.931 -23.171 1177 HB3 ALA 139 HB3 ALA 139 18.738 -12.247 -22.464 1178 H SER 140 H SER 140 15.489 -11.421 -23.105 1179 HA SER 140 HA SER 140 15.324 -8.849 -21.792 1180 HB2 SER 140 HB2 SER 140 13.016 -9.602 -21.186 1181 HB3 SER 140 HB3 SER 140 13.332 -9.626 -22.921 1182 HG SER 140 HG SER 140 13.836 -11.953 -21.450 1183 H SER 141 H SER 141 17.106 -9.247 -20.324 1184 HA SER 141 HA SER 141 16.531 -11.017 -18.103 1185 HB2 SER 141 HB2 SER 141 18.863 -10.678 -18.944 1186 HB3 SER 141 HB3 SER 141 18.762 -8.991 -18.438 1187 HG SER 141 HG SER 141 18.210 -9.977 -16.282 Start of MODEL 6 1 H1 ASP 1 HT1 ASP 1 -22.338 12.032 -11.137 2 H2 ASP 1 HT2 ASP 1 -20.893 11.157 -11.165 3 H3 ASP 1 HT3 ASP 1 -21.086 12.437 -10.079 4 HA ASP 1 HA ASP 1 -21.293 10.275 -9.007 5 HB2 ASP 1 HB2 ASP 1 -23.505 10.758 -7.908 6 HB3 ASP 1 HB3 ASP 1 -22.407 12.131 -7.962 7 HA PRO 2 HA PRO 2 -23.367 7.046 -11.207 8 HB2 PRO 2 HB2 PRO 2 -24.087 5.434 -9.125 9 HB3 PRO 2 HB3 PRO 2 -22.443 5.529 -9.764 10 HG2 PRO 2 HG2 PRO 2 -23.620 6.865 -7.357 11 HG3 PRO 2 HG3 PRO 2 -22.036 6.090 -7.543 12 HD2 PRO 2 HD2 PRO 2 -22.351 8.769 -7.630 13 HD3 PRO 2 HD3 PRO 2 -21.123 7.930 -8.598 14 H SER 3 H SER 3 -24.988 8.221 -8.287 15 HA SER 3 HA SER 3 -27.502 8.359 -9.779 16 HB2 SER 3 HB2 SER 3 -27.568 6.298 -8.389 17 HB3 SER 3 HB3 SER 3 -27.245 7.273 -6.956 18 HG SER 3 HG SER 3 -29.572 7.017 -8.463 19 H ARG 4 H ARG 4 -26.030 9.063 -6.631 20 HA ARG 4 HA ARG 4 -26.252 11.907 -7.141 21 HB2 ARG 4 HB2 ARG 4 -27.530 10.539 -4.770 22 HB3 ARG 4 HB3 ARG 4 -27.054 12.232 -4.721 23 HG2 ARG 4 HG2 ARG 4 -28.524 12.680 -6.637 24 HG3 ARG 4 HG3 ARG 4 -29.026 10.991 -6.629 25 HD2 ARG 4 HD2 ARG 4 -30.002 11.242 -4.444 26 HD3 ARG 4 HD3 ARG 4 -29.376 12.885 -4.311 27 HE ARG 4 HE ARG 4 -31.008 12.615 -6.616 28 HH11 ARG 4 HH11 ARG 4 -31.204 12.888 -3.133 29 HH12 ARG 4 HH12 ARG 4 -32.759 13.648 -3.149 30 HH21 ARG 4 HH21 ARG 4 -33.055 13.606 -6.648 31 HH22 ARG 4 HH22 ARG 4 -33.821 14.052 -5.156 32 H ARG 5 H ARG 5 -24.901 13.125 -5.505 33 HA ARG 5 HA ARG 5 -22.384 11.869 -5.291 34 HB2 ARG 5 HB2 ARG 5 -21.680 13.882 -4.049 35 HB3 ARG 5 HB3 ARG 5 -22.514 14.266 -5.544 36 HG2 ARG 5 HG2 ARG 5 -23.387 15.799 -4.061 37 HG3 ARG 5 HG3 ARG 5 -24.602 14.523 -4.049 38 HD2 ARG 5 HD2 ARG 5 -23.703 13.637 -1.984 39 HD3 ARG 5 HD3 ARG 5 -22.393 14.816 -2.019 40 HE ARG 5 HE ARG 5 -24.927 16.100 -2.085 41 HH11 ARG 5 HH11 ARG 5 -22.702 14.464 0.067 42 HH12 ARG 5 HH12 ARG 5 -23.236 15.317 1.479 43 HH21 ARG 5 HH21 ARG 5 -25.636 17.232 -0.239 44 HH22 ARG 5 HH22 ARG 5 -24.912 16.896 1.302 45 H ALA 6 H ALA 6 -21.139 11.562 -3.285 46 HA ALA 6 HA ALA 6 -22.678 9.817 -1.603 47 HB1 ALA 6 HB1 ALA 6 -19.747 10.484 -1.523 48 HB2 ALA 6 HB2 ALA 6 -20.486 9.123 -2.368 49 HB3 ALA 6 HB3 ALA 6 -20.543 9.204 -0.605 50 HA PRO 7 HA PRO 7 -23.120 12.691 1.851 51 HB2 PRO 7 HB2 PRO 7 -24.275 10.285 3.068 52 HB3 PRO 7 HB3 PRO 7 -25.017 11.872 2.825 53 HG2 PRO 7 HG2 PRO 7 -25.785 9.724 1.417 54 HG3 PRO 7 HG3 PRO 7 -25.733 11.342 0.688 55 HD2 PRO 7 HD2 PRO 7 -23.765 9.092 0.454 56 HD3 PRO 7 HD3 PRO 7 -24.388 10.181 -0.804 57 H THR 8 H THR 8 -22.768 12.125 4.303 58 HA THR 8 HA THR 8 -20.218 10.737 4.550 59 HB THR 8 HB THR 8 -21.747 12.145 6.742 60 HG1 THR 8 HG1 THR 8 -20.749 13.229 4.520 61 HG21 THR 8 HG21 THR 8 -19.867 10.730 7.449 62 HG22 THR 8 HG22 THR 8 -19.521 12.438 7.722 63 HG23 THR 8 HG23 THR 8 -18.798 11.601 6.347 64 H TRP 9 H TRP 9 -20.014 8.750 5.464 65 HA TRP 9 HA TRP 9 -22.328 7.153 5.889 66 HB2 TRP 9 HB2 TRP 9 -19.414 6.653 6.492 67 HB3 TRP 9 HB3 TRP 9 -20.672 5.453 6.728 68 HD1 TRP 9 HD1 TRP 9 -19.481 7.653 3.736 69 HE1 TRP 9 HE1 TRP 9 -19.460 6.146 1.648 70 HE3 TRP 9 HE3 TRP 9 -21.214 3.329 5.836 71 HZ2 TRP 9 HZ2 TRP 9 -20.067 3.478 0.993 72 HZ3 TRP 9 HZ3 TRP 9 -21.474 1.345 4.405 73 HH2 TRP 9 HH2 TRP 9 -20.917 1.423 2.030 74 H SER 10 H SER 10 -23.223 6.368 7.763 75 HA SER 10 HA SER 10 -22.640 7.816 10.216 76 HB2 SER 10 HB2 SER 10 -24.680 5.632 9.708 77 HB3 SER 10 HB3 SER 10 -24.639 6.732 11.087 78 HG SER 10 HG SER 10 -25.382 7.217 8.427 79 HA PRO 11 HA PRO 11 -19.907 4.937 12.196 80 HB2 PRO 11 HB2 PRO 11 -21.895 4.894 14.426 81 HB3 PRO 11 HB3 PRO 11 -20.148 5.153 14.483 82 HG2 PRO 11 HG2 PRO 11 -21.812 7.208 14.721 83 HG3 PRO 11 HG3 PRO 11 -20.316 7.359 13.779 84 HD2 PRO 11 HD2 PRO 11 -23.132 7.098 12.837 85 HD3 PRO 11 HD3 PRO 11 -21.780 7.999 12.125 86 H GLU 12 H GLU 12 -23.324 4.133 12.819 87 HA GLU 12 HA GLU 12 -22.977 1.344 13.057 88 HB2 GLU 12 HB2 GLU 12 -25.444 2.813 12.110 89 HB3 GLU 12 HB3 GLU 12 -25.384 1.214 12.841 90 HG2 GLU 12 HG2 GLU 12 -24.909 2.063 14.953 91 HG3 GLU 12 HG3 GLU 12 -24.415 3.631 14.314 92 H GLU 13 H GLU 13 -23.481 3.461 10.357 93 HA GLU 13 HA GLU 13 -24.202 1.475 8.448 94 HB2 GLU 13 HB2 GLU 13 -24.817 3.894 8.369 95 HB3 GLU 13 HB3 GLU 13 -23.139 4.269 8.019 96 HG2 GLU 13 HG2 GLU 13 -23.259 3.191 5.908 97 HG3 GLU 13 HG3 GLU 13 -24.845 2.511 6.284 98 H GLU 14 H GLU 14 -21.204 3.124 9.344 99 HA GLU 14 HA GLU 14 -19.579 1.866 7.380 100 HB2 GLU 14 HB2 GLU 14 -18.784 3.030 10.057 101 HB3 GLU 14 HB3 GLU 14 -17.685 2.647 8.738 102 HG2 GLU 14 HG2 GLU 14 -18.814 4.302 7.327 103 HG3 GLU 14 HG3 GLU 14 -19.891 4.691 8.665 104 H ALA 15 H ALA 15 -20.723 0.963 10.541 105 HA ALA 15 HA ALA 15 -19.052 -1.303 10.915 106 HB1 ALA 15 HB1 ALA 15 -20.643 -1.989 12.604 107 HB2 ALA 15 HB2 ALA 15 -21.839 -0.855 11.980 108 HB3 ALA 15 HB3 ALA 15 -20.364 -0.251 12.735 109 H HIS 16 H HIS 16 -21.921 -0.681 9.101 110 HA HIS 16 HA HIS 16 -22.463 -3.428 8.458 111 HB2 HIS 16 HB2 HIS 16 -24.271 -1.722 8.635 112 HB3 HIS 16 HB3 HIS 16 -23.598 -0.900 7.234 113 HD1 HIS 16 HD1 HIS 16 -25.982 -1.296 6.143 114 HD2 HIS 16 HD2 HIS 16 -23.760 -4.735 6.853 115 HE1 HIS 16 HE1 HIS 16 -27.067 -3.104 4.770 116 HE2 HIS 16 HE2 HIS 16 -25.786 -5.204 5.316 117 H LEU 17 H LEU 17 -20.704 -0.746 7.164 118 HA LEU 17 HA LEU 17 -20.266 -1.678 4.542 119 HB2 LEU 17 HB2 LEU 17 -19.825 0.627 5.445 120 HB3 LEU 17 HB3 LEU 17 -18.436 -0.016 6.285 121 HG LEU 17 HG LEU 17 -18.211 1.262 3.988 122 HD11 LEU 17 HD11 LEU 17 -16.641 -1.214 4.665 123 HD12 LEU 17 HD12 LEU 17 -16.355 0.410 5.290 124 HD13 LEU 17 HD13 LEU 17 -16.123 0.073 3.575 125 HD21 LEU 17 HD21 LEU 17 -18.057 -0.223 2.090 126 HD22 LEU 17 HD22 LEU 17 -19.690 -0.255 2.753 127 HD23 LEU 17 HD23 LEU 17 -18.580 -1.584 3.079 128 H ARG 18 H ARG 18 -18.276 -1.968 7.498 129 HA ARG 18 HA ARG 18 -16.534 -3.913 6.379 130 HB2 ARG 18 HB2 ARG 18 -15.800 -4.284 8.720 131 HB3 ARG 18 HB3 ARG 18 -15.789 -2.590 8.257 132 HG2 ARG 18 HG2 ARG 18 -17.927 -2.275 9.417 133 HG3 ARG 18 HG3 ARG 18 -17.881 -3.962 9.925 134 HD2 ARG 18 HD2 ARG 18 -15.709 -1.984 10.563 135 HD3 ARG 18 HD3 ARG 18 -17.086 -2.275 11.622 136 HE ARG 18 HE ARG 18 -16.135 -4.746 11.322 137 HH11 ARG 18 HH11 ARG 18 -14.479 -1.743 11.991 138 HH12 ARG 18 HH12 ARG 18 -13.251 -2.482 12.964 139 HH21 ARG 18 HH21 ARG 18 -14.522 -5.737 12.621 140 HH22 ARG 18 HH22 ARG 18 -13.280 -4.754 13.329 141 H GLU 19 H GLU 19 -19.582 -4.014 8.081 142 HA GLU 19 HA GLU 19 -19.762 -6.590 8.949 143 HB2 GLU 19 HB2 GLU 19 -21.522 -4.950 9.296 144 HB3 GLU 19 HB3 GLU 19 -21.904 -4.981 7.582 145 HG2 GLU 19 HG2 GLU 19 -23.526 -6.241 8.843 146 HG3 GLU 19 HG3 GLU 19 -22.611 -7.302 7.776 147 H LEU 20 H LEU 20 -20.765 -5.418 5.768 148 HA LEU 20 HA LEU 20 -21.349 -7.904 4.630 149 HB2 LEU 20 HB2 LEU 20 -21.061 -5.140 3.751 150 HB3 LEU 20 HB3 LEU 20 -20.583 -6.292 2.518 151 HG LEU 20 HG LEU 20 -23.237 -6.434 3.933 152 HD11 LEU 20 HD11 LEU 20 -23.018 -4.281 2.766 153 HD12 LEU 20 HD12 LEU 20 -24.212 -5.336 2.016 154 HD13 LEU 20 HD13 LEU 20 -22.621 -5.144 1.278 155 HD21 LEU 20 HD21 LEU 20 -22.493 -8.491 2.885 156 HD22 LEU 20 HD22 LEU 20 -22.180 -7.633 1.377 157 HD23 LEU 20 HD23 LEU 20 -23.833 -7.793 1.975 158 H TYR 21 H TYR 21 -18.341 -6.072 4.799 159 HA TYR 21 HA TYR 21 -16.977 -7.662 2.868 160 HB2 TYR 21 HB2 TYR 21 -16.298 -5.356 3.441 161 HB3 TYR 21 HB3 TYR 21 -15.821 -5.911 5.043 162 HD1 TYR 21 HD1 TYR 21 -13.579 -6.303 5.361 163 HD2 TYR 21 HD2 TYR 21 -15.228 -6.841 1.481 164 HE1 TYR 21 HE1 TYR 21 -11.346 -6.852 4.498 165 HE2 TYR 21 HE2 TYR 21 -12.995 -7.392 0.604 166 HH TYR 21 HH TYR 21 -10.654 -7.036 1.164 167 H LEU 22 H LEU 22 -17.171 -7.696 6.378 168 HA LEU 22 HA LEU 22 -15.163 -9.674 6.744 169 HB2 LEU 22 HB2 LEU 22 -17.418 -8.945 8.610 170 HB3 LEU 22 HB3 LEU 22 -15.918 -9.737 9.036 171 HG LEU 22 HG LEU 22 -16.193 -6.900 8.050 172 HD11 LEU 22 HD11 LEU 22 -17.024 -7.156 10.301 173 HD12 LEU 22 HD12 LEU 22 -15.491 -6.286 10.305 174 HD13 LEU 22 HD13 LEU 22 -15.541 -7.984 10.779 175 HD21 LEU 22 HD21 LEU 22 -13.739 -8.367 9.007 176 HD22 LEU 22 HD22 LEU 22 -13.834 -6.665 8.543 177 HD23 LEU 22 HD23 LEU 22 -14.087 -7.925 7.336 178 H ALA 23 H ALA 23 -18.468 -9.813 5.850 179 HA ALA 23 HA ALA 23 -18.770 -12.596 6.623 180 HB1 ALA 23 HB1 ALA 23 -20.642 -10.788 5.099 181 HB2 ALA 23 HB2 ALA 23 -20.664 -11.061 6.841 182 HB3 ALA 23 HB3 ALA 23 -21.028 -12.386 5.737 183 H ASN 24 H ASN 24 -18.495 -10.693 3.628 184 HA ASN 24 HA ASN 24 -18.844 -13.044 2.010 185 HB2 ASN 24 HB2 ASN 24 -18.399 -10.148 1.377 186 HB3 ASN 24 HB3 ASN 24 -18.327 -11.380 0.119 187 HD21 ASN 24 HD21 ASN 24 -20.360 -9.716 2.391 188 HD22 ASN 24 HD22 ASN 24 -21.872 -10.259 1.741 189 H LYS 25 H LYS 25 -16.161 -11.599 3.509 190 HA LYS 25 HA LYS 25 -14.174 -12.279 1.608 191 HB2 LYS 25 HB2 LYS 25 -12.581 -12.206 3.518 192 HB3 LYS 25 HB3 LYS 25 -13.589 -10.771 3.393 193 HG2 LYS 25 HG2 LYS 25 -14.842 -11.335 5.275 194 HG3 LYS 25 HG3 LYS 25 -14.342 -13.025 5.219 195 HD2 LYS 25 HD2 LYS 25 -13.276 -11.745 7.058 196 HD3 LYS 25 HD3 LYS 25 -12.111 -12.438 5.930 197 HE2 LYS 25 HE2 LYS 25 -11.962 -10.234 4.807 198 HE3 LYS 25 HE3 LYS 25 -13.050 -9.574 6.027 199 HZ1 LYS 25 HZ1 LYS 25 -11.436 -10.084 7.726 200 HZ2 LYS 25 HZ2 LYS 25 -10.706 -9.143 6.526 201 HZ3 LYS 25 HZ3 LYS 25 -10.408 -10.802 6.592 202 H ASP 26 H ASP 26 -16.095 -14.131 3.722 203 HA ASP 26 HA ASP 26 -14.299 -16.422 3.767 204 HB2 ASP 26 HB2 ASP 26 -15.611 -15.791 5.782 205 HB3 ASP 26 HB3 ASP 26 -17.096 -16.109 4.892 206 H VAL 27 H VAL 27 -16.521 -15.136 1.685 207 HA VAL 27 HA VAL 27 -17.643 -17.671 0.790 208 HB VAL 27 HB VAL 27 -18.179 -14.888 -0.265 209 HG11 VAL 27 HG11 VAL 27 -19.688 -17.473 -0.647 210 HG12 VAL 27 HG12 VAL 27 -18.692 -16.669 -1.860 211 HG13 VAL 27 HG13 VAL 27 -20.164 -15.895 -1.273 212 HG21 VAL 27 HG21 VAL 27 -18.842 -15.078 2.082 213 HG22 VAL 27 HG22 VAL 27 -19.782 -16.521 1.702 214 HG23 VAL 27 HG23 VAL 27 -20.251 -14.960 1.029 215 H GLU 28 H GLU 28 -16.861 -18.741 -0.900 216 HA GLU 28 HA GLU 28 -14.555 -17.578 -2.259 217 HB2 GLU 28 HB2 GLU 28 -15.530 -20.433 -2.194 218 HB3 GLU 28 HB3 GLU 28 -14.006 -19.872 -2.870 219 HG2 GLU 28 HG2 GLU 28 -13.261 -19.160 -0.681 220 HG3 GLU 28 HG3 GLU 28 -14.806 -19.636 0.026 221 H GLY 29 H GLY 29 -14.524 -17.103 -4.363 222 HA2 GLY 29 HA2 GLY 29 -15.135 -17.334 -6.630 223 HA3 GLY 29 HA3 GLY 29 -16.584 -18.193 -6.133 224 H GLN 30 H GLN 30 -17.367 -16.223 -4.156 225 HA GLN 30 HA GLN 30 -18.692 -14.380 -5.930 226 HB2 GLN 30 HB2 GLN 30 -19.746 -15.474 -3.905 227 HB3 GLN 30 HB3 GLN 30 -18.764 -14.422 -2.909 228 HG2 GLN 30 HG2 GLN 30 -20.710 -13.389 -4.963 229 HG3 GLN 30 HG3 GLN 30 -21.157 -13.712 -3.293 230 HE21 GLN 30 HE21 GLN 30 -18.719 -12.722 -2.107 231 HE22 GLN 30 HE22 GLN 30 -18.707 -11.019 -2.342 232 H ASP 31 H ASP 31 -18.025 -12.433 -6.455 233 HA ASP 31 HA ASP 31 -15.501 -11.412 -5.753 234 HB2 ASP 31 HB2 ASP 31 -16.961 -10.901 -7.816 235 HB3 ASP 31 HB3 ASP 31 -17.778 -9.735 -6.786 236 H VAL 32 H VAL 32 -14.955 -10.620 -3.773 237 HA VAL 32 HA VAL 32 -16.921 -10.074 -1.835 238 HB VAL 32 HB VAL 32 -14.427 -10.728 -1.479 239 HG11 VAL 32 HG11 VAL 32 -13.418 -8.820 -2.588 240 HG12 VAL 32 HG12 VAL 32 -12.982 -8.825 -0.880 241 HG13 VAL 32 HG13 VAL 32 -14.226 -7.715 -1.475 242 HG21 VAL 32 HG21 VAL 32 -16.025 -10.500 0.318 243 HG22 VAL 32 HG22 VAL 32 -15.849 -8.745 0.293 244 HG23 VAL 32 HG23 VAL 32 -14.496 -9.760 0.790 245 H VAL 33 H VAL 33 -15.069 -7.960 -3.963 246 HA VAL 33 HA VAL 33 -15.724 -5.562 -2.601 247 HB VAL 33 HB VAL 33 -14.380 -4.517 -4.066 248 HG11 VAL 33 HG11 VAL 33 -13.849 -7.296 -5.078 249 HG12 VAL 33 HG12 VAL 33 -13.160 -6.581 -3.619 250 HG13 VAL 33 HG13 VAL 33 -12.763 -5.913 -5.204 251 HG21 VAL 33 HG21 VAL 33 -16.054 -4.381 -5.824 252 HG22 VAL 33 HG22 VAL 33 -15.613 -5.997 -6.380 253 HG23 VAL 33 HG23 VAL 33 -14.450 -4.676 -6.498 254 H GLU 34 H GLU 34 -17.074 -7.341 -5.289 255 HA GLU 34 HA GLU 34 -19.010 -5.417 -5.998 256 HB2 GLU 34 HB2 GLU 34 -18.102 -7.567 -7.247 257 HB3 GLU 34 HB3 GLU 34 -19.479 -8.327 -6.462 258 HG2 GLU 34 HG2 GLU 34 -19.778 -5.830 -8.088 259 HG3 GLU 34 HG3 GLU 34 -19.785 -7.432 -8.829 260 H ALA 35 H ALA 35 -18.998 -8.185 -3.812 261 HA ALA 35 HA ALA 35 -21.714 -8.277 -3.176 262 HB1 ALA 35 HB1 ALA 35 -19.345 -8.811 -1.396 263 HB2 ALA 35 HB2 ALA 35 -20.192 -9.979 -2.410 264 HB3 ALA 35 HB3 ALA 35 -21.010 -9.258 -1.025 265 H ILE 36 H ILE 36 -19.137 -6.266 -1.859 266 HA ILE 36 HA ILE 36 -20.702 -5.157 0.240 267 HB ILE 36 HB ILE 36 -18.373 -3.702 -0.950 268 HG12 ILE 36 HG12 ILE 36 -17.561 -5.970 -0.874 269 HG13 ILE 36 HG13 ILE 36 -16.855 -5.079 0.468 270 HG21 ILE 36 HG21 ILE 36 -19.522 -2.646 0.865 271 HG22 ILE 36 HG22 ILE 36 -17.939 -3.190 1.423 272 HG23 ILE 36 HG23 ILE 36 -19.388 -4.102 1.849 273 HD11 ILE 36 HD11 ILE 36 -19.222 -6.918 0.679 274 HD12 ILE 36 HD12 ILE 36 -18.387 -6.112 2.007 275 HD13 ILE 36 HD13 ILE 36 -17.559 -7.352 1.062 276 H LEU 37 H LEU 37 -19.517 -3.814 -2.829 277 HA LEU 37 HA LEU 37 -20.943 -1.383 -2.546 278 HB2 LEU 37 HB2 LEU 37 -20.410 -1.098 -5.006 279 HB3 LEU 37 HB3 LEU 37 -19.060 -1.270 -3.912 280 HG LEU 37 HG LEU 37 -19.065 -3.764 -4.612 281 HD11 LEU 37 HD11 LEU 37 -19.861 -4.052 -6.972 282 HD12 LEU 37 HD12 LEU 37 -20.706 -2.512 -6.818 283 HD13 LEU 37 HD13 LEU 37 -21.154 -3.870 -5.786 284 HD21 LEU 37 HD21 LEU 37 -17.317 -2.166 -5.173 285 HD22 LEU 37 HD22 LEU 37 -18.253 -1.618 -6.564 286 HD23 LEU 37 HD23 LEU 37 -17.638 -3.268 -6.511 287 H ALA 38 H ALA 38 -21.976 -4.450 -3.530 288 HA ALA 38 HA ALA 38 -24.115 -3.620 -5.255 289 HB1 ALA 38 HB1 ALA 38 -23.539 -6.271 -3.946 290 HB2 ALA 38 HB2 ALA 38 -23.043 -5.766 -5.562 291 HB3 ALA 38 HB3 ALA 38 -24.753 -5.992 -5.197 292 H HIS 39 H HIS 39 -23.968 -4.904 -1.919 293 HA HIS 39 HA HIS 39 -26.865 -4.970 -1.830 294 HB2 HIS 39 HB2 HIS 39 -24.768 -5.777 0.181 295 HB3 HIS 39 HB3 HIS 39 -26.497 -5.902 0.479 296 HD1 HIS 39 HD1 HIS 39 -27.774 -7.785 -0.737 297 HD2 HIS 39 HD2 HIS 39 -23.704 -7.691 -1.562 298 HE1 HIS 39 HE1 HIS 39 -27.263 -9.966 -1.872 299 HE2 HIS 39 HE2 HIS 39 -24.760 -9.968 -2.159 300 H LEU 40 H LEU 40 -24.342 -2.880 -0.759 301 HA LEU 40 HA LEU 40 -25.861 -1.627 1.321 302 HB2 LEU 40 HB2 LEU 40 -23.387 -0.704 -0.124 303 HB3 LEU 40 HB3 LEU 40 -24.068 0.069 1.293 304 HG LEU 40 HG LEU 40 -23.263 -2.811 1.395 305 HD11 LEU 40 HD11 LEU 40 -21.054 -2.038 2.209 306 HD12 LEU 40 HD12 LEU 40 -21.473 -0.411 1.672 307 HD13 LEU 40 HD13 LEU 40 -21.339 -1.722 0.496 308 HD21 LEU 40 HD21 LEU 40 -22.912 -2.282 3.754 309 HD22 LEU 40 HD22 LEU 40 -24.555 -1.881 3.252 310 HD23 LEU 40 HD23 LEU 40 -23.356 -0.603 3.450 311 H ASN 41 H ASN 41 -27.818 -1.180 0.097 312 HA ASN 41 HA ASN 41 -27.569 1.298 -1.465 313 HB2 ASN 41 HB2 ASN 41 -29.792 -0.724 -1.230 314 HB3 ASN 41 HB3 ASN 41 -30.063 0.875 -1.912 315 HD21 ASN 41 HD21 ASN 41 -28.526 -2.208 -2.356 316 HD22 ASN 41 HD22 ASN 41 -28.116 -1.986 -4.022 317 H THR 42 H THR 42 -27.056 1.264 1.246 318 HA THR 42 HA THR 42 -29.329 2.582 2.519 319 HB THR 42 HB THR 42 -28.126 0.923 3.865 320 HG1 THR 42 HG1 THR 42 -27.294 3.393 4.975 321 HG21 THR 42 HG21 THR 42 -25.795 1.255 4.529 322 HG22 THR 42 HG22 THR 42 -25.698 2.690 3.504 323 HG23 THR 42 HG23 THR 42 -25.929 1.099 2.777 324 H VAL 43 H VAL 43 -26.486 3.211 0.802 325 HA VAL 43 HA VAL 43 -26.669 6.057 1.282 326 HB VAL 43 HB VAL 43 -25.156 5.371 3.055 327 HG11 VAL 43 HG11 VAL 43 -24.404 3.250 2.155 328 HG12 VAL 43 HG12 VAL 43 -23.027 4.259 2.598 329 HG13 VAL 43 HG13 VAL 43 -23.488 4.088 0.904 330 HG21 VAL 43 HG21 VAL 43 -23.184 6.690 2.493 331 HG22 VAL 43 HG22 VAL 43 -24.667 7.483 1.961 332 HG23 VAL 43 HG23 VAL 43 -23.642 6.651 0.790 333 HA PRO 44 HA PRO 44 -25.617 5.648 -3.055 334 HB2 PRO 44 HB2 PRO 44 -25.922 8.260 -3.707 335 HB3 PRO 44 HB3 PRO 44 -27.291 7.168 -3.473 336 HG2 PRO 44 HG2 PRO 44 -26.169 9.226 -1.627 337 HG3 PRO 44 HG3 PRO 44 -27.858 8.777 -1.915 338 HD2 PRO 44 HD2 PRO 44 -26.372 7.939 0.243 339 HD3 PRO 44 HD3 PRO 44 -27.783 7.077 -0.395 340 H ARG 45 H ARG 45 -23.579 5.399 -3.661 341 HA ARG 45 HA ARG 45 -21.738 7.610 -3.583 342 HB2 ARG 45 HB2 ARG 45 -19.986 6.536 -2.325 343 HB3 ARG 45 HB3 ARG 45 -21.433 6.546 -1.328 344 HG2 ARG 45 HG2 ARG 45 -21.111 4.141 -2.966 345 HG3 ARG 45 HG3 ARG 45 -19.849 4.387 -1.761 346 HD2 ARG 45 HD2 ARG 45 -21.448 4.487 -0.005 347 HD3 ARG 45 HD3 ARG 45 -22.784 4.488 -1.140 348 HE ARG 45 HE ARG 45 -21.217 2.215 -0.285 349 HH11 ARG 45 HH11 ARG 45 -23.618 3.454 -2.501 350 HH12 ARG 45 HH12 ARG 45 -24.111 1.890 -3.055 351 HH21 ARG 45 HH21 ARG 45 -21.862 0.131 -1.028 352 HH22 ARG 45 HH22 ARG 45 -23.113 0.003 -2.223 353 H THR 46 H THR 46 -19.686 7.014 -4.682 354 HA THR 46 HA THR 46 -20.128 5.252 -6.903 355 HB THR 46 HB THR 46 -18.794 7.251 -7.271 356 HG1 THR 46 HG1 THR 46 -16.996 6.256 -8.263 357 HG21 THR 46 HG21 THR 46 -16.879 6.097 -5.245 358 HG22 THR 46 HG22 THR 46 -17.851 7.553 -5.045 359 HG23 THR 46 HG23 THR 46 -16.564 7.509 -6.247 360 H ARG 47 H ARG 47 -18.822 3.365 -7.369 361 HA ARG 47 HA ARG 47 -18.699 1.562 -5.219 362 HB2 ARG 47 HB2 ARG 47 -17.697 1.463 -8.048 363 HB3 ARG 47 HB3 ARG 47 -17.304 0.173 -6.927 364 HG2 ARG 47 HG2 ARG 47 -19.224 -0.433 -8.245 365 HG3 ARG 47 HG3 ARG 47 -19.690 -0.231 -6.561 366 HD2 ARG 47 HD2 ARG 47 -21.379 0.747 -7.933 367 HD3 ARG 47 HD3 ARG 47 -20.507 2.045 -7.116 368 HE ARG 47 HE ARG 47 -19.198 2.006 -9.408 369 HH11 ARG 47 HH11 ARG 47 -22.646 1.736 -8.850 370 HH12 ARG 47 HH12 ARG 47 -23.075 2.452 -10.369 371 HH21 ARG 47 HH21 ARG 47 -19.767 2.958 -11.403 372 HH22 ARG 47 HH22 ARG 47 -21.442 3.144 -11.820 373 H LYS 48 H LYS 48 -16.411 3.757 -6.515 374 HA LYS 48 HA LYS 48 -13.978 2.775 -5.626 375 HB2 LYS 48 HB2 LYS 48 -14.215 4.740 -7.054 376 HB3 LYS 48 HB3 LYS 48 -14.968 5.627 -5.740 377 HG2 LYS 48 HG2 LYS 48 -12.814 5.330 -4.463 378 HG3 LYS 48 HG3 LYS 48 -12.109 4.735 -5.968 379 HD2 LYS 48 HD2 LYS 48 -11.606 7.078 -5.779 380 HD3 LYS 48 HD3 LYS 48 -12.803 6.872 -7.059 381 HE2 LYS 48 HE2 LYS 48 -14.575 7.445 -5.403 382 HE3 LYS 48 HE3 LYS 48 -13.306 7.790 -4.231 383 HZ1 LYS 48 HZ1 LYS 48 -13.760 9.185 -6.807 384 HZ2 LYS 48 HZ2 LYS 48 -12.459 9.485 -5.770 385 HZ3 LYS 48 HZ3 LYS 48 -14.037 9.811 -5.260 386 H GLN 49 H GLN 49 -16.493 4.508 -3.828 387 HA GLN 49 HA GLN 49 -14.913 5.093 -1.560 388 HB2 GLN 49 HB2 GLN 49 -17.911 4.817 -1.764 389 HB3 GLN 49 HB3 GLN 49 -17.048 5.531 -0.412 390 HG2 GLN 49 HG2 GLN 49 -17.060 6.556 -3.227 391 HG3 GLN 49 HG3 GLN 49 -17.984 7.224 -1.891 392 HE21 GLN 49 HE21 GLN 49 -16.911 8.409 -0.308 393 HE22 GLN 49 HE22 GLN 49 -15.305 8.995 -0.534 394 H ILE 50 H ILE 50 -16.853 2.300 -2.444 395 HA ILE 50 HA ILE 50 -16.946 1.083 0.092 396 HB ILE 50 HB ILE 50 -17.058 -0.051 -2.694 397 HG12 ILE 50 HG12 ILE 50 -19.383 -0.713 -1.701 398 HG13 ILE 50 HG13 ILE 50 -19.024 0.530 -0.510 399 HG21 ILE 50 HG21 ILE 50 -17.573 -2.235 -1.794 400 HG22 ILE 50 HG22 ILE 50 -17.347 -1.640 -0.148 401 HG23 ILE 50 HG23 ILE 50 -15.975 -1.722 -1.255 402 HD11 ILE 50 HD11 ILE 50 -19.194 0.902 -3.486 403 HD12 ILE 50 HD12 ILE 50 -18.761 2.160 -2.328 404 HD13 ILE 50 HD13 ILE 50 -20.371 1.437 -2.288 405 H ILE 51 H ILE 51 -14.814 0.385 -2.645 406 HA ILE 51 HA ILE 51 -12.989 -1.266 -1.375 407 HB ILE 51 HB ILE 51 -12.726 0.628 -3.698 408 HG12 ILE 51 HG12 ILE 51 -12.441 -1.568 -4.923 409 HG13 ILE 51 HG13 ILE 51 -12.861 -2.369 -3.419 410 HG21 ILE 51 HG21 ILE 51 -10.529 0.561 -2.701 411 HG22 ILE 51 HG22 ILE 51 -10.537 -0.377 -4.199 412 HG23 ILE 51 HG23 ILE 51 -10.581 -1.204 -2.642 413 HD11 ILE 51 HD11 ILE 51 -14.742 -2.212 -4.968 414 HD12 ILE 51 HD12 ILE 51 -14.639 -0.450 -4.898 415 HD13 ILE 51 HD13 ILE 51 -15.048 -1.373 -3.450 416 H HIS 52 H HIS 52 -13.074 2.232 -1.645 417 HA HIS 52 HA HIS 52 -10.561 2.694 -0.460 418 HB2 HIS 52 HB2 HIS 52 -12.883 4.338 -1.256 419 HB3 HIS 52 HB3 HIS 52 -11.813 5.040 -0.048 420 HD1 HIS 52 HD1 HIS 52 -10.028 6.423 -1.078 421 HD2 HIS 52 HD2 HIS 52 -11.147 3.258 -3.538 422 HE1 HIS 52 HE1 HIS 52 -8.553 6.584 -3.097 423 HE2 HIS 52 HE2 HIS 52 -9.206 4.634 -4.556 424 H HIS 53 H HIS 53 -13.852 2.936 0.949 425 HA HIS 53 HA HIS 53 -12.974 3.801 3.473 426 HB2 HIS 53 HB2 HIS 53 -15.469 2.281 2.719 427 HB3 HIS 53 HB3 HIS 53 -15.183 2.984 4.308 428 HD1 HIS 53 HD1 HIS 53 -13.828 5.621 2.933 429 HD2 HIS 53 HD2 HIS 53 -17.629 4.037 2.264 430 HE1 HIS 53 HE1 HIS 53 -15.199 7.512 2.024 431 HE2 HIS 53 HE2 HIS 53 -17.542 6.617 2.015 432 H LEU 54 H LEU 54 -13.257 0.587 2.136 433 HA LEU 54 HA LEU 54 -13.081 -0.850 4.558 434 HB2 LEU 54 HB2 LEU 54 -12.448 -1.585 1.713 435 HB3 LEU 54 HB3 LEU 54 -12.289 -2.725 3.034 436 HG LEU 54 HG LEU 54 -14.875 -1.319 2.374 437 HD11 LEU 54 HD11 LEU 54 -15.569 -3.349 1.267 438 HD12 LEU 54 HD12 LEU 54 -14.000 -4.089 1.586 439 HD13 LEU 54 HD13 LEU 54 -14.118 -2.712 0.491 440 HD21 LEU 54 HD21 LEU 54 -14.272 -3.766 4.034 441 HD22 LEU 54 HD22 LEU 54 -15.869 -3.086 3.732 442 HD23 LEU 54 HD23 LEU 54 -14.686 -2.172 4.666 443 H VAL 55 H VAL 55 -10.575 0.040 2.180 444 HA VAL 55 HA VAL 55 -8.484 -1.036 3.831 445 HB VAL 55 HB VAL 55 -6.922 -0.224 2.208 446 HG11 VAL 55 HG11 VAL 55 -7.821 -1.207 0.137 447 HG12 VAL 55 HG12 VAL 55 -9.429 -1.216 0.864 448 HG13 VAL 55 HG13 VAL 55 -8.139 -2.200 1.558 449 HG21 VAL 55 HG21 VAL 55 -7.781 2.018 1.854 450 HG22 VAL 55 HG22 VAL 55 -9.189 1.367 1.017 451 HG23 VAL 55 HG23 VAL 55 -7.584 1.188 0.309 452 H GLN 56 H GLN 56 -10.090 1.987 3.493 453 HA GLN 56 HA GLN 56 -8.190 3.671 4.716 454 HB2 GLN 56 HB2 GLN 56 -11.113 3.792 4.179 455 HB3 GLN 56 HB3 GLN 56 -10.429 4.953 5.301 456 HG2 GLN 56 HG2 GLN 56 -9.034 5.882 3.639 457 HG3 GLN 56 HG3 GLN 56 -9.338 4.542 2.534 458 HE21 GLN 56 HE21 GLN 56 -9.983 5.977 0.941 459 HE22 GLN 56 HE22 GLN 56 -11.521 6.771 0.980 460 H MET 57 H MET 57 -10.655 1.541 6.002 461 HA MET 57 HA MET 57 -10.142 2.525 8.687 462 HB2 MET 57 HB2 MET 57 -12.172 0.634 7.549 463 HB3 MET 57 HB3 MET 57 -11.918 0.762 9.286 464 HG2 MET 57 HG2 MET 57 -12.413 3.162 9.172 465 HG3 MET 57 HG3 MET 57 -12.699 3.013 7.442 466 HE1 MET 57 HE1 MET 57 -14.369 0.594 6.868 467 HE2 MET 57 HE2 MET 57 -14.927 2.194 6.377 468 HE3 MET 57 HE3 MET 57 -16.027 1.091 7.200 469 H GLY 58 H GLY 58 -8.426 0.703 6.809 470 HA2 GLY 58 HA2 GLY 58 -6.628 -0.639 7.260 471 HA3 GLY 58 HA3 GLY 58 -6.950 -0.385 8.965 472 H LEU 59 H LEU 59 -9.658 -1.605 7.405 473 HA LEU 59 HA LEU 59 -9.185 -4.183 8.675 474 HB2 LEU 59 HB2 LEU 59 -11.575 -4.593 8.288 475 HB3 LEU 59 HB3 LEU 59 -11.277 -3.125 9.195 476 HG LEU 59 HG LEU 59 -11.488 -1.987 6.836 477 HD11 LEU 59 HD11 LEU 59 -13.168 -4.450 6.454 478 HD12 LEU 59 HD12 LEU 59 -11.629 -4.151 5.647 479 HD13 LEU 59 HD13 LEU 59 -13.000 -3.084 5.350 480 HD21 LEU 59 HD21 LEU 59 -12.939 -1.493 8.682 481 HD22 LEU 59 HD22 LEU 59 -13.807 -3.012 8.454 482 HD23 LEU 59 HD23 LEU 59 -13.914 -1.744 7.233 483 H ALA 60 H ALA 60 -9.198 -2.726 5.607 484 HA ALA 60 HA ALA 60 -8.879 -5.380 4.350 485 HB1 ALA 60 HB1 ALA 60 -9.489 -2.709 3.094 486 HB2 ALA 60 HB2 ALA 60 -10.582 -4.088 3.233 487 HB3 ALA 60 HB3 ALA 60 -9.159 -4.186 2.194 488 H ASP 61 H ASP 61 -7.117 -5.537 2.743 489 HA ASP 61 HA ASP 61 -4.698 -4.468 3.800 490 HB2 ASP 61 HB2 ASP 61 -5.316 -6.057 1.320 491 HB3 ASP 61 HB3 ASP 61 -3.693 -5.480 1.678 492 H SER 62 H SER 62 -6.008 -4.182 0.494 493 HA SER 62 HA SER 62 -5.534 -1.374 0.390 494 HB2 SER 62 HB2 SER 62 -3.602 -3.227 -1.000 495 HB3 SER 62 HB3 SER 62 -3.804 -1.533 -1.413 496 HG SER 62 HG SER 62 -3.436 -1.928 1.264 497 H VAL 63 H VAL 63 -5.581 -0.622 -1.975 498 HA VAL 63 HA VAL 63 -7.977 -1.376 -3.217 499 HB VAL 63 HB VAL 63 -5.617 0.301 -4.009 500 HG11 VAL 63 HG11 VAL 63 -6.719 0.933 -6.102 501 HG12 VAL 63 HG12 VAL 63 -7.937 -0.312 -5.831 502 HG13 VAL 63 HG13 VAL 63 -6.251 -0.769 -6.092 503 HG21 VAL 63 HG21 VAL 63 -7.281 1.211 -2.474 504 HG22 VAL 63 HG22 VAL 63 -8.544 0.921 -3.669 505 HG23 VAL 63 HG23 VAL 63 -7.267 2.089 -4.005 506 H LYS 64 H LYS 64 -4.797 -2.621 -3.421 507 HA LYS 64 HA LYS 64 -4.742 -3.702 -5.998 508 HB2 LYS 64 HB2 LYS 64 -3.349 -4.592 -3.477 509 HB3 LYS 64 HB3 LYS 64 -2.939 -5.144 -5.088 510 HG2 LYS 64 HG2 LYS 64 -2.306 -2.905 -5.737 511 HG3 LYS 64 HG3 LYS 64 -2.810 -2.283 -4.166 512 HD2 LYS 64 HD2 LYS 64 -0.636 -4.337 -4.569 513 HD3 LYS 64 HD3 LYS 64 -0.347 -2.606 -4.389 514 HE2 LYS 64 HE2 LYS 64 -1.425 -2.680 -2.177 515 HE3 LYS 64 HE3 LYS 64 -1.676 -4.413 -2.364 516 HZ1 LYS 64 HZ1 LYS 64 0.704 -4.734 -2.425 517 HZ2 LYS 64 HZ2 LYS 64 0.272 -3.911 -1.013 518 HZ3 LYS 64 HZ3 LYS 64 0.970 -3.069 -2.303 519 H ASP 65 H ASP 65 -6.164 -4.899 -3.036 520 HA ASP 65 HA ASP 65 -6.482 -7.580 -4.056 521 HB2 ASP 65 HB2 ASP 65 -6.122 -7.220 -1.664 522 HB3 ASP 65 HB3 ASP 65 -7.581 -6.243 -1.571 523 H PHE 66 H PHE 66 -8.175 -4.646 -4.296 524 HA PHE 66 HA PHE 66 -10.764 -5.979 -4.611 525 HB2 PHE 66 HB2 PHE 66 -10.052 -3.082 -4.169 526 HB3 PHE 66 HB3 PHE 66 -11.682 -3.636 -4.526 527 HD1 PHE 66 HD1 PHE 66 -8.902 -4.084 -2.114 528 HD2 PHE 66 HD2 PHE 66 -13.103 -4.289 -2.804 529 HE1 PHE 66 HE1 PHE 66 -9.273 -4.490 0.278 530 HE2 PHE 66 HE2 PHE 66 -13.472 -4.699 -0.414 531 HZ PHE 66 HZ PHE 66 -11.562 -4.794 1.135 532 H GLN 67 H GLN 67 -8.613 -3.703 -6.323 533 HA GLN 67 HA GLN 67 -10.157 -4.201 -8.754 534 HB2 GLN 67 HB2 GLN 67 -9.779 -1.552 -7.436 535 HB3 GLN 67 HB3 GLN 67 -9.946 -1.644 -9.185 536 HG2 GLN 67 HG2 GLN 67 -12.115 -2.696 -8.947 537 HG3 GLN 67 HG3 GLN 67 -11.940 -2.699 -7.192 538 HE21 GLN 67 HE21 GLN 67 -13.859 -1.481 -7.034 539 HE22 GLN 67 HE22 GLN 67 -13.872 0.214 -7.361 540 H ARG 68 H ARG 68 -7.318 -2.615 -7.422 541 HA ARG 68 HA ARG 68 -6.235 -2.269 -10.092 542 HB2 ARG 68 HB2 ARG 68 -6.046 -0.447 -8.397 543 HB3 ARG 68 HB3 ARG 68 -5.034 -1.504 -7.425 544 HG2 ARG 68 HG2 ARG 68 -3.511 -1.638 -9.466 545 HG3 ARG 68 HG3 ARG 68 -4.413 -0.248 -10.068 546 HD2 ARG 68 HD2 ARG 68 -2.961 -0.374 -7.427 547 HD3 ARG 68 HD3 ARG 68 -2.344 0.391 -8.887 548 HE ARG 68 HE ARG 68 -4.856 1.494 -8.254 549 HH11 ARG 68 HH11 ARG 68 -1.561 1.435 -7.072 550 HH12 ARG 68 HH12 ARG 68 -1.654 3.015 -6.341 551 HH21 ARG 68 HH21 ARG 68 -4.963 3.587 -7.314 552 HH22 ARG 68 HH22 ARG 68 -3.561 4.244 -6.518 553 H LYS 69 H LYS 69 -4.646 -3.479 -10.949 554 HA LYS 69 HA LYS 69 -3.756 -5.875 -9.923 555 HB2 LYS 69 HB2 LYS 69 -3.343 -5.304 -12.236 556 HB3 LYS 69 HB3 LYS 69 -2.338 -3.942 -11.764 557 HG2 LYS 69 HG2 LYS 69 -0.715 -5.504 -10.787 558 HG3 LYS 69 HG3 LYS 69 -1.716 -6.854 -11.321 559 HD2 LYS 69 HD2 LYS 69 -0.553 -4.781 -13.173 560 HD3 LYS 69 HD3 LYS 69 0.214 -6.330 -12.822 561 HE2 LYS 69 HE2 LYS 69 -1.803 -7.481 -13.663 562 HE3 LYS 69 HE3 LYS 69 -2.499 -5.915 -14.077 563 HZ1 LYS 69 HZ1 LYS 69 0.018 -7.025 -15.196 564 HZ2 LYS 69 HZ2 LYS 69 -0.678 -5.542 -15.606 565 HZ3 LYS 69 HZ3 LYS 69 -1.474 -6.981 -15.991 566 H GLY 70 H GLY 70 -2.552 -6.408 -8.283 567 HA2 GLY 70 HA2 GLY 70 -1.429 -4.970 -6.349 568 HA3 GLY 70 HA3 GLY 70 -0.657 -6.437 -6.935 569 H THR 71 H THR 71 -0.121 -3.355 -6.205 570 HA THR 71 HA THR 71 0.959 -2.080 -8.369 571 HB THR 71 HB THR 71 2.246 -0.736 -6.664 572 HG1 THR 71 HG1 THR 71 2.148 -2.746 -5.183 573 HG21 THR 71 HG21 THR 71 0.165 0.179 -5.657 574 HG22 THR 71 HG22 THR 71 -0.715 -1.217 -6.286 575 HG23 THR 71 HG23 THR 71 0.038 -0.072 -7.397 576 H HIS 72 H HIS 72 2.774 -2.218 -9.507 577 HA HIS 72 HA HIS 72 4.689 -4.285 -9.014 578 HB2 HIS 72 HB2 HIS 72 5.381 -3.868 -11.158 579 HB3 HIS 72 HB3 HIS 72 3.922 -2.887 -11.252 580 HD1 HIS 72 HD1 HIS 72 7.641 -2.506 -10.622 581 HD2 HIS 72 HD2 HIS 72 4.353 -0.202 -11.687 582 HE1 HIS 72 HE1 HIS 72 8.538 -0.200 -11.015 583 HE2 HIS 72 HE2 HIS 72 6.598 1.023 -12.078 584 H ILE 73 H ILE 73 4.204 -1.392 -7.617 585 HA ILE 73 HA ILE 73 5.826 0.502 -7.894 586 HB ILE 73 HB ILE 73 4.606 -0.498 -5.555 587 HG12 ILE 73 HG12 ILE 73 4.221 1.561 -6.974 588 HG13 ILE 73 HG13 ILE 73 4.142 1.807 -5.228 589 HG21 ILE 73 HG21 ILE 73 5.994 0.585 -3.828 590 HG22 ILE 73 HG22 ILE 73 7.270 0.804 -5.027 591 HG23 ILE 73 HG23 ILE 73 6.778 -0.820 -4.550 592 HD11 ILE 73 HD11 ILE 73 6.434 2.496 -7.059 593 HD12 ILE 73 HD12 ILE 73 6.461 2.667 -5.304 594 HD13 ILE 73 HD13 ILE 73 5.331 3.622 -6.266 595 H VAL 74 H VAL 74 7.681 1.209 -8.000 596 HA VAL 74 HA VAL 74 9.948 -0.325 -8.323 597 HB VAL 74 HB VAL 74 11.162 1.716 -8.483 598 HG11 VAL 74 HG11 VAL 74 8.322 2.350 -9.252 599 HG12 VAL 74 HG12 VAL 74 9.465 1.420 -10.217 600 HG13 VAL 74 HG13 VAL 74 9.777 3.122 -9.881 601 HG21 VAL 74 HG21 VAL 74 8.962 3.137 -7.004 602 HG22 VAL 74 HG22 VAL 74 10.531 3.783 -7.496 603 HG23 VAL 74 HG23 VAL 74 10.439 2.550 -6.241 604 H LEU 75 H LEU 75 11.802 -0.563 -7.038 605 HA LEU 75 HA LEU 75 11.432 -1.419 -4.470 606 HB2 LEU 75 HB2 LEU 75 13.987 -1.106 -4.316 607 HB3 LEU 75 HB3 LEU 75 13.321 -2.205 -5.508 608 HG LEU 75 HG LEU 75 13.474 0.087 -6.976 609 HD11 LEU 75 HD11 LEU 75 15.655 1.100 -6.568 610 HD12 LEU 75 HD12 LEU 75 15.864 0.100 -5.129 611 HD13 LEU 75 HD13 LEU 75 14.589 1.318 -5.179 612 HD21 LEU 75 HD21 LEU 75 15.620 -1.992 -6.585 613 HD22 LEU 75 HD22 LEU 75 15.482 -0.905 -7.966 614 HD23 LEU 75 HD23 LEU 75 14.230 -2.109 -7.661 615 H TRP 76 H TRP 76 10.231 0.095 -3.261 616 HA TRP 76 HA TRP 76 11.597 2.505 -2.372 617 HB2 TRP 76 HB2 TRP 76 8.941 1.247 -1.761 618 HB3 TRP 76 HB3 TRP 76 9.587 2.486 -0.697 619 HD1 TRP 76 HD1 TRP 76 8.840 2.141 -4.504 620 HE1 TRP 76 HE1 TRP 76 7.814 4.369 -5.291 621 HE3 TRP 76 HE3 TRP 76 9.116 4.762 -0.133 622 HZ2 TRP 76 HZ2 TRP 76 7.216 6.897 -4.211 623 HZ3 TRP 76 HZ3 TRP 76 8.287 7.080 -0.091 624 HH2 TRP 76 HH2 TRP 76 7.355 8.121 -2.085 625 H THR 77 H THR 77 13.277 2.175 -1.068 626 HA THR 77 HA THR 77 13.112 0.132 1.018 627 HB THR 77 HB THR 77 15.535 0.563 1.331 628 HG1 THR 77 HG1 THR 77 16.397 2.287 0.462 629 HG21 THR 77 HG21 THR 77 16.291 -0.404 -0.805 630 HG22 THR 77 HG22 THR 77 14.726 -0.022 -1.524 631 HG23 THR 77 HG23 THR 77 14.831 -1.195 -0.212 632 H GLY 78 H GLY 78 13.884 0.760 3.206 633 HA2 GLY 78 HA2 GLY 78 12.384 2.830 4.271 634 HA3 GLY 78 HA3 GLY 78 13.744 2.073 5.080 635 H ASP 79 H ASP 79 15.754 2.917 3.205 636 HA ASP 79 HA ASP 79 16.238 5.483 4.376 637 HB2 ASP 79 HB2 ASP 79 18.405 5.385 3.345 638 HB3 ASP 79 HB3 ASP 79 18.027 3.790 3.979 639 H GLN 80 H GLN 80 15.480 4.368 1.078 640 HA GLN 80 HA GLN 80 15.764 7.045 0.050 641 HB2 GLN 80 HB2 GLN 80 15.418 6.159 -2.088 642 HB3 GLN 80 HB3 GLN 80 16.260 4.881 -1.232 643 HG2 GLN 80 HG2 GLN 80 14.683 3.548 -2.054 644 HG3 GLN 80 HG3 GLN 80 13.647 4.229 -0.798 645 HE21 GLN 80 HE21 GLN 80 12.958 3.188 -3.475 646 HE22 GLN 80 HE22 GLN 80 12.166 4.494 -4.280 647 H GLU 81 H GLU 81 13.206 5.042 1.270 648 HA GLU 81 HA GLU 81 11.022 6.563 0.305 649 HB2 GLU 81 HB2 GLU 81 10.725 4.315 1.215 650 HB3 GLU 81 HB3 GLU 81 11.270 4.859 2.794 651 HG2 GLU 81 HG2 GLU 81 9.320 6.129 3.146 652 HG3 GLU 81 HG3 GLU 81 8.852 6.019 1.452 653 H LEU 82 H LEU 82 12.905 6.680 3.307 654 HA LEU 82 HA LEU 82 11.612 8.913 4.440 655 HB2 LEU 82 HB2 LEU 82 13.103 7.500 5.742 656 HB3 LEU 82 HB3 LEU 82 14.463 7.960 4.732 657 HG LEU 82 HG LEU 82 13.966 10.367 5.508 658 HD11 LEU 82 HD11 LEU 82 12.928 10.521 7.720 659 HD12 LEU 82 HD12 LEU 82 12.518 8.807 7.640 660 HD13 LEU 82 HD13 LEU 82 11.793 9.940 6.500 661 HD21 LEU 82 HD21 LEU 82 15.020 8.348 7.473 662 HD22 LEU 82 HD22 LEU 82 15.368 10.077 7.454 663 HD23 LEU 82 HD23 LEU 82 15.929 9.047 6.134 664 H GLU 83 H GLU 83 14.347 8.593 2.248 665 HA GLU 83 HA GLU 83 15.193 11.233 2.092 666 HB2 GLU 83 HB2 GLU 83 16.332 9.263 1.075 667 HB3 GLU 83 HB3 GLU 83 15.084 9.211 -0.161 668 HG2 GLU 83 HG2 GLU 83 16.955 10.274 -1.119 669 HG3 GLU 83 HG3 GLU 83 15.764 11.534 -0.805 670 H LEU 84 H LEU 84 12.737 9.546 0.134 671 HA LEU 84 HA LEU 84 12.017 11.905 -1.309 672 HB2 LEU 84 HB2 LEU 84 11.722 9.649 -2.246 673 HB3 LEU 84 HB3 LEU 84 10.525 9.293 -1.014 674 HG LEU 84 HG LEU 84 8.990 10.903 -1.943 675 HD11 LEU 84 HD11 LEU 84 9.567 12.130 -4.023 676 HD12 LEU 84 HD12 LEU 84 11.238 11.598 -3.824 677 HD13 LEU 84 HD13 LEU 84 10.493 12.644 -2.614 678 HD21 LEU 84 HD21 LEU 84 8.546 9.913 -4.095 679 HD22 LEU 84 HD22 LEU 84 9.087 8.658 -2.982 680 HD23 LEU 84 HD23 LEU 84 10.195 9.299 -4.195 681 H GLN 85 H GLN 85 10.856 10.322 1.602 682 HA GLN 85 HA GLN 85 8.477 11.704 2.022 683 HB2 GLN 85 HB2 GLN 85 9.308 9.827 3.426 684 HB3 GLN 85 HB3 GLN 85 10.525 10.894 4.105 685 HG2 GLN 85 HG2 GLN 85 7.659 11.667 4.327 686 HG3 GLN 85 HG3 GLN 85 8.278 10.392 5.367 687 HE21 GLN 85 HE21 GLN 85 9.872 10.899 6.904 688 HE22 GLN 85 HE22 GLN 85 10.140 12.524 7.425 689 H ARG 86 H ARG 86 11.692 12.527 3.332 690 HA ARG 86 HA ARG 86 11.053 15.082 4.248 691 HB2 ARG 86 HB2 ARG 86 13.633 13.900 3.259 692 HB3 ARG 86 HB3 ARG 86 13.536 15.550 3.849 693 HG2 ARG 86 HG2 ARG 86 12.605 14.582 5.995 694 HG3 ARG 86 HG3 ARG 86 13.093 13.004 5.369 695 HD2 ARG 86 HD2 ARG 86 14.766 14.202 6.872 696 HD3 ARG 86 HD3 ARG 86 15.370 13.598 5.328 697 HE ARG 86 HE ARG 86 14.469 16.303 5.144 698 HH11 ARG 86 HH11 ARG 86 17.153 14.363 6.252 699 HH12 ARG 86 HH12 ARG 86 18.338 15.576 5.907 700 HH21 ARG 86 HH21 ARG 86 15.986 17.902 4.692 701 HH22 ARG 86 HH22 ARG 86 17.672 17.611 5.019 702 H LEU 87 H LEU 87 12.215 14.023 1.095 703 HA LEU 87 HA LEU 87 12.757 16.506 -0.042 704 HB2 LEU 87 HB2 LEU 87 13.052 13.973 -0.842 705 HB3 LEU 87 HB3 LEU 87 11.615 14.378 -1.763 706 HG LEU 87 HG LEU 87 12.935 16.404 -2.603 707 HD11 LEU 87 HD11 LEU 87 15.193 14.730 -1.509 708 HD12 LEU 87 HD12 LEU 87 14.727 16.345 -0.970 709 HD13 LEU 87 HD13 LEU 87 15.376 16.106 -2.592 710 HD21 LEU 87 HD21 LEU 87 12.377 14.460 -3.964 711 HD22 LEU 87 HD22 LEU 87 13.812 13.628 -3.370 712 HD23 LEU 87 HD23 LEU 87 13.980 15.079 -4.357 713 H PHE 88 H PHE 88 9.805 14.537 -0.252 714 HA PHE 88 HA PHE 88 8.293 16.278 -1.803 715 HB2 PHE 88 HB2 PHE 88 7.415 14.129 -1.586 716 HB3 PHE 88 HB3 PHE 88 7.615 14.126 0.161 717 HD1 PHE 88 HD1 PHE 88 5.734 14.280 1.427 718 HD2 PHE 88 HD2 PHE 88 5.736 16.030 -2.450 719 HE1 PHE 88 HE1 PHE 88 3.378 14.907 1.716 720 HE2 PHE 88 HE2 PHE 88 3.379 16.674 -2.163 721 HZ PHE 88 HZ PHE 88 2.200 16.117 -0.075 722 H GLU 89 H GLU 89 8.553 16.070 1.691 723 HA GLU 89 HA GLU 89 6.666 18.087 2.239 724 HB2 GLU 89 HB2 GLU 89 9.036 17.205 3.885 725 HB3 GLU 89 HB3 GLU 89 7.632 18.081 4.451 726 HG2 GLU 89 HG2 GLU 89 7.277 15.457 3.135 727 HG3 GLU 89 HG3 GLU 89 7.794 15.530 4.820 728 H GLU 90 H GLU 90 10.063 18.163 1.445 729 HA GLU 90 HA GLU 90 10.408 20.850 2.447 730 HB2 GLU 90 HB2 GLU 90 12.151 18.724 1.331 731 HB3 GLU 90 HB3 GLU 90 12.735 20.387 1.249 732 HG2 GLU 90 HG2 GLU 90 12.422 20.583 3.682 733 HG3 GLU 90 HG3 GLU 90 11.897 18.903 3.735 734 H PHE 91 H PHE 91 9.745 19.356 -0.631 735 HA PHE 91 HA PHE 91 10.308 21.922 -1.952 736 HB2 PHE 91 HB2 PHE 91 10.179 19.123 -3.059 737 HB3 PHE 91 HB3 PHE 91 10.196 20.555 -4.089 738 HD1 PHE 91 HD1 PHE 91 12.154 21.970 -4.237 739 HD2 PHE 91 HD2 PHE 91 12.148 18.463 -1.830 740 HE1 PHE 91 HE1 PHE 91 14.605 22.077 -4.084 741 HE2 PHE 91 HE2 PHE 91 14.599 18.566 -1.667 742 HZ PHE 91 HZ PHE 91 15.830 20.374 -2.796 743 H ARG 92 H ARG 92 7.728 20.278 -0.708 744 HA ARG 92 HA ARG 92 5.796 20.895 -2.722 745 HB2 ARG 92 HB2 ARG 92 4.123 20.240 -1.177 746 HB3 ARG 92 HB3 ARG 92 5.481 19.158 -0.927 747 HG2 ARG 92 HG2 ARG 92 6.136 20.376 1.048 748 HG3 ARG 92 HG3 ARG 92 4.838 21.547 0.787 749 HD2 ARG 92 HD2 ARG 92 3.287 19.484 0.829 750 HD3 ARG 92 HD3 ARG 92 4.652 18.660 1.577 751 HE ARG 92 HE ARG 92 3.991 21.139 2.863 752 HH11 ARG 92 HH11 ARG 92 3.293 17.713 2.737 753 HH12 ARG 92 HH12 ARG 92 2.499 17.689 4.278 754 HH21 ARG 92 HH21 ARG 92 2.948 21.101 4.901 755 HH22 ARG 92 HH22 ARG 92 2.306 19.605 5.504 756 H ASP 93 H ASP 93 7.554 22.724 -0.580 757 HA ASP 93 HA ASP 93 5.941 24.940 -0.045 758 HB2 ASP 93 HB2 ASP 93 8.137 24.683 0.949 759 HB3 ASP 93 HB3 ASP 93 8.903 24.729 -0.634 760 H SER 94 H SER 94 7.139 23.736 -3.017 761 HA SER 94 HA SER 94 6.617 26.277 -4.396 762 HB2 SER 94 HB2 SER 94 8.815 25.152 -4.803 763 HB3 SER 94 HB3 SER 94 7.949 23.763 -5.453 764 HG SER 94 HG SER 94 7.964 26.412 -6.482 765 H ASP 95 H ASP 95 5.749 25.650 -6.800 766 HA ASP 95 HA ASP 95 3.074 24.770 -6.314 767 HB2 ASP 95 HB2 ASP 95 4.483 25.387 -8.921 768 HB3 ASP 95 HB3 ASP 95 2.756 25.101 -8.758 769 H ASP 96 H ASP 96 5.757 23.467 -8.246 770 HA ASP 96 HA ASP 96 4.328 20.893 -8.296 771 HB2 ASP 96 HB2 ASP 96 4.804 22.002 -10.531 772 HB3 ASP 96 HB3 ASP 96 6.514 21.731 -10.207 773 H VAL 97 H VAL 97 5.071 19.751 -6.656 774 HA VAL 97 HA VAL 97 7.744 20.043 -5.685 775 HB VAL 97 HB VAL 97 5.897 19.649 -4.143 776 HG11 VAL 97 HG11 VAL 97 4.498 18.206 -5.498 777 HG12 VAL 97 HG12 VAL 97 4.833 17.474 -3.928 778 HG13 VAL 97 HG13 VAL 97 5.689 16.912 -5.366 779 HG21 VAL 97 HG21 VAL 97 6.917 17.977 -2.733 780 HG22 VAL 97 HG22 VAL 97 8.158 18.977 -3.492 781 HG23 VAL 97 HG23 VAL 97 7.838 17.353 -4.104 782 H LEU 98 H LEU 98 6.093 17.742 -7.762 783 HA LEU 98 HA LEU 98 7.991 15.655 -7.365 784 HB2 LEU 98 HB2 LEU 98 5.843 16.024 -9.426 785 HB3 LEU 98 HB3 LEU 98 6.896 14.623 -9.387 786 HG LEU 98 HG LEU 98 5.975 14.651 -6.827 787 HD11 LEU 98 HD11 LEU 98 4.452 16.497 -7.274 788 HD12 LEU 98 HD12 LEU 98 3.571 15.014 -6.908 789 HD13 LEU 98 HD13 LEU 98 3.705 15.572 -8.576 790 HD21 LEU 98 HD21 LEU 98 4.518 12.823 -7.540 791 HD22 LEU 98 HD22 LEU 98 6.115 12.724 -8.282 792 HD23 LEU 98 HD23 LEU 98 4.740 13.310 -9.222 793 H GLY 99 H GLY 99 7.653 18.211 -9.755 794 HA2 GLY 99 HA2 GLY 99 9.627 17.370 -11.557 795 HA3 GLY 99 HA3 GLY 99 9.214 19.051 -11.220 796 H HIS 100 H HIS 100 9.915 19.113 -8.504 797 HA HIS 100 HA HIS 100 12.764 19.388 -8.720 798 HB2 HIS 100 HB2 HIS 100 10.817 19.900 -6.473 799 HB3 HIS 100 HB3 HIS 100 12.556 20.079 -6.273 800 HD1 HIS 100 HD1 HIS 100 13.679 22.106 -7.386 801 HD2 HIS 100 HD2 HIS 100 9.579 21.889 -8.028 802 HE1 HIS 100 HE1 HIS 100 13.022 24.350 -8.308 803 HE2 HIS 100 HE2 HIS 100 10.564 24.141 -8.834 804 H ILE 101 H ILE 101 10.475 17.177 -7.277 805 HA ILE 101 HA ILE 101 12.177 15.621 -5.722 806 HB ILE 101 HB ILE 101 9.721 14.906 -7.316 807 HG12 ILE 101 HG12 ILE 101 10.278 15.027 -4.339 808 HG13 ILE 101 HG13 ILE 101 9.470 16.282 -5.269 809 HG21 ILE 101 HG21 ILE 101 11.086 12.908 -7.312 810 HG22 ILE 101 HG22 ILE 101 9.730 12.704 -6.205 811 HG23 ILE 101 HG23 ILE 101 11.339 13.049 -5.572 812 HD11 ILE 101 HD11 ILE 101 7.944 14.834 -3.968 813 HD12 ILE 101 HD12 ILE 101 8.444 13.472 -4.969 814 HD13 ILE 101 HD13 ILE 101 7.608 14.840 -5.697 815 H MET 102 H MET 102 11.232 15.074 -9.112 816 HA MET 102 HA MET 102 12.859 12.904 -9.647 817 HB2 MET 102 HB2 MET 102 11.907 15.119 -11.456 818 HB3 MET 102 HB3 MET 102 12.704 13.665 -12.040 819 HG2 MET 102 HG2 MET 102 10.210 13.579 -10.374 820 HG3 MET 102 HG3 MET 102 10.184 13.688 -12.122 821 HE1 MET 102 HE1 MET 102 8.662 11.583 -10.711 822 HE2 MET 102 HE2 MET 102 9.090 10.090 -11.545 823 HE3 MET 102 HE3 MET 102 8.828 11.574 -12.464 824 H LYS 103 H LYS 103 13.655 16.324 -9.730 825 HA LYS 103 HA LYS 103 16.213 15.811 -10.992 826 HB2 LYS 103 HB2 LYS 103 15.036 18.398 -9.971 827 HB3 LYS 103 HB3 LYS 103 16.485 18.243 -10.956 828 HG2 LYS 103 HG2 LYS 103 13.693 17.491 -11.791 829 HG3 LYS 103 HG3 LYS 103 14.579 18.932 -12.292 830 HD2 LYS 103 HD2 LYS 103 16.272 17.510 -13.355 831 HD3 LYS 103 HD3 LYS 103 15.378 16.074 -12.855 832 HE2 LYS 103 HE2 LYS 103 14.928 16.645 -15.188 833 HE3 LYS 103 HE3 LYS 103 13.474 16.768 -14.197 834 HZ1 LYS 103 HZ1 LYS 103 13.777 18.636 -15.764 835 HZ2 LYS 103 HZ2 LYS 103 15.182 19.083 -14.935 836 HZ3 LYS 103 HZ3 LYS 103 13.685 19.130 -14.152 837 H ASN 104 H ASN 104 15.067 15.867 -7.797 838 HA ASN 104 HA ASN 104 17.796 16.477 -6.840 839 HB2 ASN 104 HB2 ASN 104 15.807 17.959 -6.114 840 HB3 ASN 104 HB3 ASN 104 15.361 16.603 -5.082 841 HD21 ASN 104 HD21 ASN 104 15.739 17.671 -3.174 842 HD22 ASN 104 HD22 ASN 104 17.322 18.099 -2.635 843 H ILE 105 H ILE 105 15.461 14.000 -7.091 844 HA ILE 105 HA ILE 105 16.495 12.545 -4.784 845 HB ILE 105 HB ILE 105 14.061 12.558 -5.288 846 HG12 ILE 105 HG12 ILE 105 13.714 10.106 -4.942 847 HG13 ILE 105 HG13 ILE 105 15.436 9.883 -5.223 848 HG21 ILE 105 HG21 ILE 105 14.153 12.413 -7.716 849 HG22 ILE 105 HG22 ILE 105 13.181 11.103 -7.043 850 HG23 ILE 105 HG23 ILE 105 14.826 10.786 -7.592 851 HD11 ILE 105 HD11 ILE 105 14.215 11.516 -3.012 852 HD12 ILE 105 HD12 ILE 105 15.939 11.260 -3.285 853 HD13 ILE 105 HD13 ILE 105 14.902 9.901 -2.854 854 H THR 106 H THR 106 17.216 10.374 -4.963 855 HA THR 106 HA THR 106 19.128 10.079 -7.066 856 HB THR 106 HB THR 106 19.575 9.560 -4.700 857 HG1 THR 106 HG1 THR 106 20.992 8.560 -6.045 858 HG21 THR 106 HG21 THR 106 17.752 7.207 -5.169 859 HG22 THR 106 HG22 THR 106 17.475 8.549 -4.060 860 HG23 THR 106 HG23 THR 106 18.795 7.417 -3.760 861 H ALA 107 H ALA 107 16.178 8.346 -6.062 862 HA ALA 107 HA ALA 107 16.477 6.434 -8.216 863 HB1 ALA 107 HB1 ALA 107 14.411 5.452 -7.346 864 HB2 ALA 107 HB2 ALA 107 14.238 6.804 -6.227 865 HB3 ALA 107 HB3 ALA 107 15.595 5.690 -6.058 866 H LYS 108 H LYS 108 15.633 6.659 -10.178 867 HA LYS 108 HA LYS 108 13.894 8.935 -10.670 868 HB2 LYS 108 HB2 LYS 108 15.716 7.295 -12.327 869 HB3 LYS 108 HB3 LYS 108 14.277 7.908 -13.133 870 HG2 LYS 108 HG2 LYS 108 16.152 9.423 -13.424 871 HG3 LYS 108 HG3 LYS 108 14.867 10.181 -12.487 872 HD2 LYS 108 HD2 LYS 108 16.192 9.399 -10.424 873 HD3 LYS 108 HD3 LYS 108 17.530 9.162 -11.551 874 HE2 LYS 108 HE2 LYS 108 17.212 11.535 -12.283 875 HE3 LYS 108 HE3 LYS 108 16.050 11.718 -10.970 876 HZ1 LYS 108 HZ1 LYS 108 18.900 10.964 -10.620 877 HZ2 LYS 108 HZ2 LYS 108 17.776 11.245 -9.383 878 HZ3 LYS 108 HZ3 LYS 108 18.269 12.515 -10.385 879 H ARG 109 H ARG 109 11.889 8.545 -10.224 880 HA ARG 109 HA ARG 109 10.681 5.979 -10.960 881 HB2 ARG 109 HB2 ARG 109 10.118 8.039 -8.876 882 HB3 ARG 109 HB3 ARG 109 8.788 7.054 -9.468 883 HG2 ARG 109 HG2 ARG 109 9.723 5.092 -8.660 884 HG3 ARG 109 HG3 ARG 109 11.325 5.812 -8.490 885 HD2 ARG 109 HD2 ARG 109 8.954 6.750 -6.897 886 HD3 ARG 109 HD3 ARG 109 10.009 5.444 -6.343 887 HE ARG 109 HE ARG 109 11.223 8.006 -7.060 888 HH11 ARG 109 HH11 ARG 109 10.156 5.814 -4.569 889 HH12 ARG 109 HH12 ARG 109 11.245 6.438 -3.371 890 HH21 ARG 109 HH21 ARG 109 12.654 8.847 -5.481 891 HH22 ARG 109 HH22 ARG 109 12.663 8.155 -3.887 892 H SER 110 H SER 110 8.215 6.320 -11.388 893 HA SER 110 HA SER 110 7.883 8.584 -13.234 894 HB2 SER 110 HB2 SER 110 6.034 6.217 -12.792 895 HB3 SER 110 HB3 SER 110 5.915 7.416 -14.079 896 HG SER 110 HG SER 110 8.168 6.651 -14.591 897 H ARG 111 H ARG 111 6.052 9.993 -13.029 898 HA ARG 111 HA ARG 111 5.826 10.868 -10.349 899 HB2 ARG 111 HB2 ARG 111 4.297 11.743 -12.804 900 HB3 ARG 111 HB3 ARG 111 4.284 12.585 -11.260 901 HG2 ARG 111 HG2 ARG 111 6.757 12.860 -11.475 902 HG3 ARG 111 HG3 ARG 111 6.629 12.194 -13.104 903 HD2 ARG 111 HD2 ARG 111 6.656 14.597 -13.231 904 HD3 ARG 111 HD3 ARG 111 5.055 14.012 -13.678 905 HE ARG 111 HE ARG 111 4.892 14.545 -10.997 906 HH11 ARG 111 HH11 ARG 111 5.777 16.398 -13.832 907 HH12 ARG 111 HH12 ARG 111 5.214 17.902 -13.180 908 HH21 ARG 111 HH21 ARG 111 4.115 16.543 -10.156 909 HH22 ARG 111 HH22 ARG 111 4.296 17.998 -11.092 910 H ALA 112 H ALA 112 3.647 9.053 -12.431 911 HA ALA 112 HA ALA 112 1.277 9.351 -10.987 912 HB1 ALA 112 HB1 ALA 112 2.164 6.965 -12.605 913 HB2 ALA 112 HB2 ALA 112 1.371 8.408 -13.237 914 HB3 ALA 112 HB3 ALA 112 0.507 7.341 -12.131 915 H ARG 113 H ARG 113 3.927 7.076 -10.536 916 HA ARG 113 HA ARG 113 2.468 5.693 -8.452 917 HB2 ARG 113 HB2 ARG 113 4.552 4.301 -8.282 918 HB3 ARG 113 HB3 ARG 113 3.741 4.262 -9.841 919 HG2 ARG 113 HG2 ARG 113 5.398 6.058 -10.560 920 HG3 ARG 113 HG3 ARG 113 6.293 5.641 -9.095 921 HD2 ARG 113 HD2 ARG 113 7.072 4.439 -11.116 922 HD3 ARG 113 HD3 ARG 113 6.524 3.376 -9.818 923 HE ARG 113 HE ARG 113 4.324 3.389 -11.156 924 HH11 ARG 113 HH11 ARG 113 7.513 3.543 -12.609 925 HH12 ARG 113 HH12 ARG 113 7.004 2.774 -14.078 926 HH21 ARG 113 HH21 ARG 113 3.664 2.403 -13.081 927 HH22 ARG 113 HH22 ARG 113 4.824 2.122 -14.345 928 H ILE 114 H ILE 114 4.730 8.279 -8.686 929 HA ILE 114 HA ILE 114 5.732 8.092 -6.023 930 HB ILE 114 HB ILE 114 5.467 10.522 -7.815 931 HG12 ILE 114 HG12 ILE 114 7.881 8.841 -7.108 932 HG13 ILE 114 HG13 ILE 114 7.021 8.782 -8.643 933 HG21 ILE 114 HG21 ILE 114 7.062 11.595 -6.254 934 HG22 ILE 114 HG22 ILE 114 6.905 10.204 -5.181 935 HG23 ILE 114 HG23 ILE 114 5.506 11.231 -5.503 936 HD11 ILE 114 HD11 ILE 114 8.528 11.143 -7.533 937 HD12 ILE 114 HD12 ILE 114 7.629 11.133 -9.050 938 HD13 ILE 114 HD13 ILE 114 9.041 10.096 -8.855 939 H VAL 115 H VAL 115 3.171 9.973 -7.568 940 HA VAL 115 HA VAL 115 2.250 11.278 -5.265 941 HB VAL 115 HB VAL 115 0.239 11.807 -6.541 942 HG11 VAL 115 HG11 VAL 115 2.681 11.893 -8.301 943 HG12 VAL 115 HG12 VAL 115 2.314 13.036 -7.009 944 HG13 VAL 115 HG13 VAL 115 1.263 12.934 -8.422 945 HG21 VAL 115 HG21 VAL 115 1.261 9.898 -8.633 946 HG22 VAL 115 HG22 VAL 115 -0.181 10.906 -8.744 947 HG23 VAL 115 HG23 VAL 115 -0.109 9.596 -7.566 948 H ASP 116 H ASP 116 1.414 8.176 -6.682 949 HA ASP 116 HA ASP 116 -0.854 7.735 -5.001 950 HB2 ASP 116 HB2 ASP 116 -0.249 6.725 -7.319 951 HB3 ASP 116 HB3 ASP 116 0.675 5.557 -6.387 952 H LYS 117 H LYS 117 2.572 6.994 -4.858 953 HA LYS 117 HA LYS 117 2.376 5.190 -2.662 954 HB2 LYS 117 HB2 LYS 117 4.394 5.995 -4.406 955 HB3 LYS 117 HB3 LYS 117 4.934 6.544 -2.826 956 HG2 LYS 117 HG2 LYS 117 4.023 3.724 -3.375 957 HG3 LYS 117 HG3 LYS 117 5.701 4.247 -3.507 958 HD2 LYS 117 HD2 LYS 117 5.667 4.918 -1.147 959 HD3 LYS 117 HD3 LYS 117 3.994 4.369 -1.018 960 HE2 LYS 117 HE2 LYS 117 4.682 2.093 -1.519 961 HE3 LYS 117 HE3 LYS 117 6.346 2.623 -1.750 962 HZ1 LYS 117 HZ1 LYS 117 4.822 2.731 0.802 963 HZ2 LYS 117 HZ2 LYS 117 6.411 3.285 0.595 964 HZ3 LYS 117 HZ3 LYS 117 6.056 1.639 0.425 965 H LEU 118 H LEU 118 2.624 8.683 -2.969 966 HA LEU 118 HA LEU 118 3.254 9.365 -0.330 967 HB2 LEU 118 HB2 LEU 118 1.265 10.724 -2.143 968 HB3 LEU 118 HB3 LEU 118 1.901 11.401 -0.665 969 HG LEU 118 HG LEU 118 3.291 11.003 -3.286 970 HD11 LEU 118 HD11 LEU 118 3.686 13.383 -3.026 971 HD12 LEU 118 HD12 LEU 118 2.925 13.349 -1.428 972 HD13 LEU 118 HD13 LEU 118 1.963 13.022 -2.868 973 HD21 LEU 118 HD21 LEU 118 4.779 10.164 -1.483 974 HD22 LEU 118 HD22 LEU 118 4.615 11.722 -0.672 975 HD23 LEU 118 HD23 LEU 118 5.381 11.630 -2.256 976 H LEU 119 H LEU 119 0.139 8.693 -1.843 977 HA LEU 119 HA LEU 119 -1.525 9.034 0.360 978 HB2 LEU 119 HB2 LEU 119 -1.672 7.339 -2.105 979 HB3 LEU 119 HB3 LEU 119 -2.898 7.170 -0.865 980 HG LEU 119 HG LEU 119 -3.608 8.655 -2.702 981 HD11 LEU 119 HD11 LEU 119 -4.549 8.923 -0.477 982 HD12 LEU 119 HD12 LEU 119 -4.434 10.470 -1.316 983 HD13 LEU 119 HD13 LEU 119 -3.264 10.058 -0.062 984 HD21 LEU 119 HD21 LEU 119 -1.356 10.431 -1.762 985 HD22 LEU 119 HD22 LEU 119 -2.630 10.916 -2.878 986 HD23 LEU 119 HD23 LEU 119 -1.494 9.646 -3.336 987 H ALA 120 H ALA 120 0.470 6.334 -0.600 988 HA ALA 120 HA ALA 120 -0.617 4.474 1.274 989 HB1 ALA 120 HB1 ALA 120 1.150 3.011 0.562 990 HB2 ALA 120 HB2 ALA 120 2.030 4.360 -0.158 991 HB3 ALA 120 HB3 ALA 120 0.491 3.844 -0.849 992 H LEU 121 H LEU 121 2.198 6.627 1.257 993 HA LEU 121 HA LEU 121 3.210 5.810 3.793 994 HB2 LEU 121 HB2 LEU 121 3.610 8.147 1.985 995 HB3 LEU 121 HB3 LEU 121 4.145 8.282 3.646 996 HG LEU 121 HG LEU 121 5.628 6.359 3.330 997 HD11 LEU 121 HD11 LEU 121 6.027 5.458 1.109 998 HD12 LEU 121 HD12 LEU 121 4.711 6.442 0.469 999 HD13 LEU 121 HD13 LEU 121 4.370 5.160 1.632 1000 HD21 LEU 121 HD21 LEU 121 5.929 8.537 1.272 1001 HD22 LEU 121 HD22 LEU 121 7.219 7.466 1.827 1002 HD23 LEU 121 HD23 LEU 121 6.470 8.602 2.950 1003 H GLY 122 H GLY 122 0.618 7.829 2.789 1004 HA2 GLY 122 HA2 GLY 122 -0.926 9.013 4.042 1005 HA3 GLY 122 HA3 GLY 122 -0.046 8.559 5.499 1006 H LEU 123 H LEU 123 1.542 10.026 2.761 1007 HA LEU 123 HA LEU 123 2.430 12.256 4.359 1008 HB2 LEU 123 HB2 LEU 123 2.806 11.526 1.457 1009 HB3 LEU 123 HB3 LEU 123 3.488 12.973 2.182 1010 HG LEU 123 HG LEU 123 4.145 10.112 2.879 1011 HD11 LEU 123 HD11 LEU 123 5.716 12.339 1.606 1012 HD12 LEU 123 HD12 LEU 123 5.250 10.799 0.885 1013 HD13 LEU 123 HD13 LEU 123 6.428 10.838 2.193 1014 HD21 LEU 123 HD21 LEU 123 5.119 12.661 4.161 1015 HD22 LEU 123 HD22 LEU 123 5.766 11.047 4.462 1016 HD23 LEU 123 HD23 LEU 123 4.106 11.428 4.913 1017 H VAL 124 H VAL 124 -0.101 11.517 2.237 1018 HA VAL 124 HA VAL 124 -1.309 14.120 2.708 1019 HB VAL 124 HB VAL 124 -2.090 14.222 0.313 1020 HG11 VAL 124 HG11 VAL 124 -0.351 15.720 1.129 1021 HG12 VAL 124 HG12 VAL 124 -0.034 15.247 -0.539 1022 HG13 VAL 124 HG13 VAL 124 0.878 14.506 0.775 1023 HG21 VAL 124 HG21 VAL 124 0.081 12.164 -0.039 1024 HG22 VAL 124 HG22 VAL 124 -0.704 13.032 -1.355 1025 HG23 VAL 124 HG23 VAL 124 -1.642 11.945 -0.332 1026 H ALA 125 H ALA 125 -3.590 14.016 1.656 1027 HA ALA 125 HA ALA 125 -4.734 11.336 2.150 1028 HB1 ALA 125 HB1 ALA 125 -6.762 12.403 2.944 1029 HB2 ALA 125 HB2 ALA 125 -6.080 13.995 2.622 1030 HB3 ALA 125 HB3 ALA 125 -5.382 12.974 3.878 1031 H GLU 126 H GLU 126 -4.031 13.610 -0.094 1032 HA GLU 126 HA GLU 126 -5.775 12.539 -2.108 1033 HB2 GLU 126 HB2 GLU 126 -6.782 14.742 -2.665 1034 HB3 GLU 126 HB3 GLU 126 -7.284 14.161 -1.081 1035 HG2 GLU 126 HG2 GLU 126 -5.329 15.586 -0.197 1036 HG3 GLU 126 HG3 GLU 126 -5.400 16.380 -1.765 1037 H ARG 127 H ARG 127 -5.083 13.181 -4.221 1038 HA ARG 127 HA ARG 127 -2.307 13.890 -4.372 1039 HB2 ARG 127 HB2 ARG 127 -4.410 13.134 -6.346 1040 HB3 ARG 127 HB3 ARG 127 -2.949 13.923 -6.927 1041 HG2 ARG 127 HG2 ARG 127 -1.592 12.189 -5.931 1042 HG3 ARG 127 HG3 ARG 127 -3.034 11.409 -5.282 1043 HD2 ARG 127 HD2 ARG 127 -2.720 11.921 -8.217 1044 HD3 ARG 127 HD3 ARG 127 -2.012 10.497 -7.459 1045 HE ARG 127 HE ARG 127 -4.891 11.110 -7.613 1046 HH11 ARG 127 HH11 ARG 127 -2.261 8.855 -7.084 1047 HH12 ARG 127 HH12 ARG 127 -3.270 7.446 -7.079 1048 HH21 ARG 127 HH21 ARG 127 -6.247 9.258 -7.624 1049 HH22 ARG 127 HH22 ARG 127 -5.548 7.685 -7.415 1050 H ARG 128 H ARG 128 -5.249 15.523 -4.453 1051 HA ARG 128 HA ARG 128 -4.883 17.740 -6.017 1052 HB2 ARG 128 HB2 ARG 128 -6.966 17.172 -4.914 1053 HB3 ARG 128 HB3 ARG 128 -6.251 17.477 -3.341 1054 HG2 ARG 128 HG2 ARG 128 -6.032 19.838 -3.892 1055 HG3 ARG 128 HG3 ARG 128 -6.741 19.528 -5.478 1056 HD2 ARG 128 HD2 ARG 128 -8.129 18.894 -2.884 1057 HD3 ARG 128 HD3 ARG 128 -8.324 20.424 -3.736 1058 HE ARG 128 HE ARG 128 -9.262 19.141 -5.595 1059 HH11 ARG 128 HH11 ARG 128 -9.048 17.486 -2.503 1060 HH12 ARG 128 HH12 ARG 128 -10.421 16.469 -2.822 1061 HH21 ARG 128 HH21 ARG 128 -11.055 17.805 -6.009 1062 HH22 ARG 128 HH22 ARG 128 -11.563 16.646 -4.819 1063 H GLU 129 H GLU 129 -3.528 17.114 -2.832 1064 HA GLU 129 HA GLU 129 -2.743 19.812 -2.340 1065 HB2 GLU 129 HB2 GLU 129 -1.924 17.208 -1.060 1066 HB3 GLU 129 HB3 GLU 129 -1.391 18.784 -0.490 1067 HG2 GLU 129 HG2 GLU 129 -4.229 17.812 -0.648 1068 HG3 GLU 129 HG3 GLU 129 -3.258 17.982 0.816 1069 H LEU 130 H LEU 130 -1.215 17.061 -3.832 1070 HA LEU 130 HA LEU 130 1.395 18.359 -3.817 1071 HB2 LEU 130 HB2 LEU 130 1.928 16.136 -5.131 1072 HB3 LEU 130 HB3 LEU 130 1.791 16.159 -3.384 1073 HG LEU 130 HG LEU 130 -0.695 15.586 -4.897 1074 HD11 LEU 130 HD11 LEU 130 0.812 14.256 -6.167 1075 HD12 LEU 130 HD12 LEU 130 -0.048 13.199 -5.047 1076 HD13 LEU 130 HD13 LEU 130 1.615 13.678 -4.707 1077 HD21 LEU 130 HD21 LEU 130 0.595 14.476 -2.408 1078 HD22 LEU 130 HD22 LEU 130 -0.964 13.963 -3.052 1079 HD23 LEU 130 HD23 LEU 130 -0.745 15.622 -2.488 1080 H TYR 131 H TYR 131 -1.011 19.179 -5.401 1081 HA TYR 131 HA TYR 131 0.297 19.299 -8.016 1082 HB2 TYR 131 HB2 TYR 131 -2.657 19.076 -7.407 1083 HB3 TYR 131 HB3 TYR 131 -2.035 19.565 -8.978 1084 HD1 TYR 131 HD1 TYR 131 0.384 17.627 -8.906 1085 HD2 TYR 131 HD2 TYR 131 -3.774 17.088 -8.176 1086 HE1 TYR 131 HE1 TYR 131 0.583 15.273 -9.564 1087 HE2 TYR 131 HE2 TYR 131 -3.584 14.726 -8.836 1088 HH TYR 131 HH TYR 131 -0.526 13.197 -9.333 1089 H LYS 132 H LYS 132 0.446 21.197 -8.939 1090 HA LYS 132 HA LYS 132 1.315 23.264 -7.592 1091 HB2 LYS 132 HB2 LYS 132 0.903 24.650 -9.668 1092 HB3 LYS 132 HB3 LYS 132 1.754 23.134 -9.861 1093 HG2 LYS 132 HG2 LYS 132 -0.382 22.081 -10.581 1094 HG3 LYS 132 HG3 LYS 132 -1.125 23.679 -10.552 1095 HD2 LYS 132 HD2 LYS 132 0.403 24.479 -12.226 1096 HD3 LYS 132 HD3 LYS 132 1.320 22.976 -12.167 1097 HE2 LYS 132 HE2 LYS 132 -0.724 21.781 -12.937 1098 HE3 LYS 132 HE3 LYS 132 -1.506 23.349 -13.139 1099 HZ1 LYS 132 HZ1 LYS 132 0.971 22.487 -14.524 1100 HZ2 LYS 132 HZ2 LYS 132 0.166 23.956 -14.751 1101 HZ3 LYS 132 HZ3 LYS 132 -0.573 22.508 -15.212 1102 H LYS 133 H LYS 133 -0.733 25.290 -9.198 1103 HA LYS 133 HA LYS 133 -1.142 26.793 -6.963 1104 HB2 LYS 133 HB2 LYS 133 -2.988 27.933 -8.181 1105 HB3 LYS 133 HB3 LYS 133 -1.472 27.834 -9.066 1106 HG2 LYS 133 HG2 LYS 133 -2.435 25.890 -10.308 1107 HG3 LYS 133 HG3 LYS 133 -3.964 26.194 -9.484 1108 HD2 LYS 133 HD2 LYS 133 -2.498 28.098 -11.313 1109 HD3 LYS 133 HD3 LYS 133 -3.967 27.201 -11.698 1110 HE2 LYS 133 HE2 LYS 133 -3.683 29.322 -9.570 1111 HE3 LYS 133 HE3 LYS 133 -4.468 29.522 -11.134 1112 HZ1 LYS 133 HZ1 LYS 133 -6.123 27.915 -10.504 1113 HZ2 LYS 133 HZ2 LYS 133 -6.051 29.130 -9.332 1114 HZ3 LYS 133 HZ3 LYS 133 -5.347 27.623 -9.031 1115 H ARG 134 H ARG 134 -2.722 27.183 -5.528 1116 HA ARG 134 HA ARG 134 -3.897 24.714 -4.670 1117 HB2 ARG 134 HB2 ARG 134 -4.144 27.337 -3.229 1118 HB3 ARG 134 HB3 ARG 134 -4.111 25.706 -2.563 1119 HG2 ARG 134 HG2 ARG 134 -1.819 27.151 -3.843 1120 HG3 ARG 134 HG3 ARG 134 -2.027 26.855 -2.118 1121 HD2 ARG 134 HD2 ARG 134 -1.947 24.420 -2.589 1122 HD3 ARG 134 HD3 ARG 134 -1.629 24.793 -4.284 1123 HE ARG 134 HE ARG 134 0.233 25.986 -2.424 1124 HH11 ARG 134 HH11 ARG 134 -0.484 23.181 -4.392 1125 HH12 ARG 134 HH12 ARG 134 1.171 22.672 -4.496 1126 HH21 ARG 134 HH21 ARG 134 2.420 25.331 -2.571 1127 HH22 ARG 134 HH22 ARG 134 2.835 23.901 -3.462 1128 H GLN 135 H GLN 135 -5.355 24.586 -6.335 1129 HA GLN 135 HA GLN 135 -7.612 25.903 -6.938 1130 HB2 GLN 135 HB2 GLN 135 -8.604 23.326 -6.388 1131 HB3 GLN 135 HB3 GLN 135 -8.090 23.969 -7.934 1132 HG2 GLN 135 HG2 GLN 135 -7.053 21.804 -7.452 1133 HG3 GLN 135 HG3 GLN 135 -5.837 23.089 -7.565 1134 HE21 GLN 135 HE21 GLN 135 -4.304 22.055 -6.354 1135 HE22 GLN 135 HE22 GLN 135 -4.476 21.740 -4.666 1136 H LYS 136 H LYS 136 -8.455 27.248 -5.346 1137 HA LYS 136 HA LYS 136 -9.878 25.907 -3.171 1138 HB2 LYS 136 HB2 LYS 136 -9.461 28.830 -3.820 1139 HB3 LYS 136 HB3 LYS 136 -10.532 28.274 -2.539 1140 HG2 LYS 136 HG2 LYS 136 -8.626 27.127 -1.477 1141 HG3 LYS 136 HG3 LYS 136 -7.568 27.774 -2.729 1142 HD2 LYS 136 HD2 LYS 136 -9.235 29.500 -0.916 1143 HD3 LYS 136 HD3 LYS 136 -7.578 29.025 -0.546 1144 HE2 LYS 136 HE2 LYS 136 -6.848 30.070 -2.665 1145 HE3 LYS 136 HE3 LYS 136 -8.504 30.614 -2.938 1146 HZ1 LYS 136 HZ1 LYS 136 -8.385 31.891 -0.893 1147 HZ2 LYS 136 HZ2 LYS 136 -7.148 32.354 -1.952 1148 HZ3 LYS 136 HZ3 LYS 136 -6.798 31.368 -0.626 1149 H LYS 137 H LYS 137 -10.700 24.925 -5.270 1150 HA LYS 137 HA LYS 137 -13.334 25.963 -5.898 1151 HB2 LYS 137 HB2 LYS 137 -12.112 27.040 -7.641 1152 HB3 LYS 137 HB3 LYS 137 -11.056 25.656 -7.864 1153 HG2 LYS 137 HG2 LYS 137 -12.512 25.821 -9.742 1154 HG3 LYS 137 HG3 LYS 137 -12.980 24.405 -8.800 1155 HD2 LYS 137 HD2 LYS 137 -14.784 25.733 -7.772 1156 HD3 LYS 137 HD3 LYS 137 -14.339 27.099 -8.794 1157 HE2 LYS 137 HE2 LYS 137 -15.088 24.400 -9.888 1158 HE3 LYS 137 HE3 LYS 137 -16.267 25.680 -9.608 1159 HZ1 LYS 137 HZ1 LYS 137 -13.888 25.932 -11.370 1160 HZ2 LYS 137 HZ2 LYS 137 -15.110 27.082 -11.161 1161 HZ3 LYS 137 HZ3 LYS 137 -15.457 25.608 -11.908 1162 H LEU 138 H LEU 138 -14.727 24.211 -6.494 1163 HA LEU 138 HA LEU 138 -13.884 21.640 -5.650 1164 HB2 LEU 138 HB2 LEU 138 -16.321 22.439 -7.245 1165 HB3 LEU 138 HB3 LEU 138 -16.071 20.863 -6.522 1166 HG LEU 138 HG LEU 138 -16.372 23.468 -5.027 1167 HD11 LEU 138 HD11 LEU 138 -18.209 21.092 -5.287 1168 HD12 LEU 138 HD12 LEU 138 -18.456 22.686 -5.999 1169 HD13 LEU 138 HD13 LEU 138 -18.475 22.491 -4.247 1170 HD21 LEU 138 HD21 LEU 138 -15.954 20.652 -4.032 1171 HD22 LEU 138 HD22 LEU 138 -16.424 22.016 -3.019 1172 HD23 LEU 138 HD23 LEU 138 -14.860 22.020 -3.833 1173 H ALA 139 H ALA 139 -11.994 21.365 -6.951 1174 HA ALA 139 HA ALA 139 -12.598 20.382 -9.665 1175 HB1 ALA 139 HB1 ALA 139 -11.110 22.399 -9.595 1176 HB2 ALA 139 HB2 ALA 139 -10.378 20.984 -10.350 1177 HB3 ALA 139 HB3 ALA 139 -9.932 21.427 -8.704 1178 H SER 140 H SER 140 -12.034 18.316 -10.115 1179 HA SER 140 HA SER 140 -10.852 16.774 -7.958 1180 HB2 SER 140 HB2 SER 140 -11.861 15.864 -10.667 1181 HB3 SER 140 HB3 SER 140 -11.413 14.816 -9.321 1182 HG SER 140 HG SER 140 -13.356 16.816 -8.950 1183 H SER 141 H SER 141 -8.786 17.933 -8.144 1184 HA SER 141 HA SER 141 -7.147 16.954 -10.348 1185 HB2 SER 141 HB2 SER 141 -6.669 18.981 -8.152 1186 HB3 SER 141 HB3 SER 141 -5.415 18.478 -9.295 1187 HG SER 141 HG SER 141 -7.490 19.050 -10.757 Start of MODEL 7 1 H1 ASP 1 HT1 ASP 1 -20.584 4.620 -10.789 2 H2 ASP 1 HT2 ASP 1 -21.447 5.995 -11.263 3 H3 ASP 1 HT3 ASP 1 -21.954 4.465 -11.769 4 HA ASP 1 HA ASP 1 -22.503 3.831 -9.545 5 HB2 ASP 1 HB2 ASP 1 -22.006 5.100 -7.678 6 HB3 ASP 1 HB3 ASP 1 -20.666 5.570 -8.711 7 HA PRO 2 HA PRO 2 -26.619 5.155 -10.259 8 HB2 PRO 2 HB2 PRO 2 -27.389 6.131 -7.736 9 HB3 PRO 2 HB3 PRO 2 -27.577 4.481 -8.334 10 HG2 PRO 2 HG2 PRO 2 -25.462 5.638 -6.587 11 HG3 PRO 2 HG3 PRO 2 -26.181 4.016 -6.566 12 HD2 PRO 2 HD2 PRO 2 -23.737 4.421 -7.557 13 HD3 PRO 2 HD3 PRO 2 -24.850 3.271 -8.324 14 H SER 3 H SER 3 -24.908 7.594 -8.210 15 HA SER 3 HA SER 3 -26.041 9.658 -9.919 16 HB2 SER 3 HB2 SER 3 -27.784 9.253 -8.214 17 HB3 SER 3 HB3 SER 3 -26.613 9.643 -6.954 18 HG SER 3 HG SER 3 -27.599 11.363 -8.989 19 H ARG 4 H ARG 4 -24.167 9.124 -6.900 20 HA ARG 4 HA ARG 4 -22.475 11.394 -7.648 21 HB2 ARG 4 HB2 ARG 4 -23.986 11.153 -5.044 22 HB3 ARG 4 HB3 ARG 4 -22.679 12.294 -5.321 23 HG2 ARG 4 HG2 ARG 4 -23.943 13.439 -6.995 24 HG3 ARG 4 HG3 ARG 4 -25.212 12.214 -6.945 25 HD2 ARG 4 HD2 ARG 4 -25.806 14.276 -5.716 26 HD3 ARG 4 HD3 ARG 4 -25.791 12.843 -4.691 27 HE ARG 4 HE ARG 4 -24.041 13.732 -3.503 28 HH11 ARG 4 HH11 ARG 4 -24.543 15.621 -6.408 29 HH12 ARG 4 HH12 ARG 4 -23.479 16.897 -5.914 30 HH21 ARG 4 HH21 ARG 4 -22.657 15.423 -2.841 31 HH22 ARG 4 HH22 ARG 4 -22.397 16.782 -3.890 32 H ARG 5 H ARG 5 -20.379 11.151 -7.090 33 HA ARG 5 HA ARG 5 -19.563 8.826 -5.592 34 HB2 ARG 5 HB2 ARG 5 -17.235 10.053 -5.795 35 HB3 ARG 5 HB3 ARG 5 -17.935 9.211 -7.161 36 HG2 ARG 5 HG2 ARG 5 -16.988 11.288 -7.887 37 HG3 ARG 5 HG3 ARG 5 -18.737 11.376 -8.049 38 HD2 ARG 5 HD2 ARG 5 -18.895 12.721 -6.052 39 HD3 ARG 5 HD3 ARG 5 -17.173 12.506 -5.733 40 HE ARG 5 HE ARG 5 -17.730 13.712 -8.285 41 HH11 ARG 5 HH11 ARG 5 -17.298 14.339 -4.869 42 HH12 ARG 5 HH12 ARG 5 -16.764 15.971 -5.103 43 HH21 ARG 5 HH21 ARG 5 -17.015 15.862 -8.600 44 HH22 ARG 5 HH22 ARG 5 -16.617 16.841 -7.225 45 H ALA 6 H ALA 6 -20.944 9.541 -3.796 46 HA ALA 6 HA ALA 6 -19.835 11.774 -2.229 47 HB1 ALA 6 HB1 ALA 6 -22.581 10.579 -2.275 48 HB2 ALA 6 HB2 ALA 6 -22.095 12.131 -2.976 49 HB3 ALA 6 HB3 ALA 6 -22.056 11.898 -1.222 50 HA PRO 7 HA PRO 7 -19.807 8.895 1.229 51 HB2 PRO 7 HB2 PRO 7 -18.603 10.861 2.843 52 HB3 PRO 7 HB3 PRO 7 -17.835 9.453 2.116 53 HG2 PRO 7 HG2 PRO 7 -17.251 12.077 1.450 54 HG3 PRO 7 HG3 PRO 7 -16.965 10.684 0.392 55 HD2 PRO 7 HD2 PRO 7 -19.272 12.609 0.397 56 HD3 PRO 7 HD3 PRO 7 -18.371 11.929 -0.982 57 H THR 8 H THR 8 -21.785 8.783 2.069 58 HA THR 8 HA THR 8 -22.273 10.717 4.210 59 HB THR 8 HB THR 8 -24.740 10.268 4.029 60 HG1 THR 8 HG1 THR 8 -24.613 8.398 2.714 61 HG21 THR 8 HG21 THR 8 -25.153 11.815 2.171 62 HG22 THR 8 HG22 THR 8 -23.491 11.599 1.627 63 HG23 THR 8 HG23 THR 8 -23.815 12.361 3.183 64 H TRP 9 H TRP 9 -21.363 9.438 5.752 65 HA TRP 9 HA TRP 9 -22.447 6.719 6.035 66 HB2 TRP 9 HB2 TRP 9 -19.506 7.428 6.220 67 HB3 TRP 9 HB3 TRP 9 -20.204 5.839 6.489 68 HD1 TRP 9 HD1 TRP 9 -19.614 8.360 3.625 69 HE1 TRP 9 HE1 TRP 9 -19.467 7.044 1.410 70 HE3 TRP 9 HE3 TRP 9 -20.746 3.688 5.368 71 HZ2 TRP 9 HZ2 TRP 9 -19.762 4.395 0.538 72 HZ3 TRP 9 HZ3 TRP 9 -20.792 1.816 3.768 73 HH2 TRP 9 HH2 TRP 9 -20.312 2.166 1.403 74 H SER 10 H SER 10 -23.104 6.329 8.022 75 HA SER 10 HA SER 10 -22.281 8.057 10.205 76 HB2 SER 10 HB2 SER 10 -23.974 6.680 11.482 77 HB3 SER 10 HB3 SER 10 -24.641 7.522 10.082 78 HG SER 10 HG SER 10 -25.267 5.276 10.274 79 HA PRO 11 HA PRO 11 -19.369 5.231 12.167 80 HB2 PRO 11 HB2 PRO 11 -21.304 5.078 14.433 81 HB3 PRO 11 HB3 PRO 11 -19.566 5.398 14.459 82 HG2 PRO 11 HG2 PRO 11 -21.324 7.372 14.794 83 HG3 PRO 11 HG3 PRO 11 -19.828 7.618 13.873 84 HD2 PRO 11 HD2 PRO 11 -22.626 7.320 12.899 85 HD3 PRO 11 HD3 PRO 11 -21.287 8.267 12.221 86 H GLU 12 H GLU 12 -22.813 4.531 12.318 87 HA GLU 12 HA GLU 12 -22.546 1.709 12.620 88 HB2 GLU 12 HB2 GLU 12 -24.869 3.362 11.620 89 HB3 GLU 12 HB3 GLU 12 -24.949 1.661 12.044 90 HG2 GLU 12 HG2 GLU 12 -24.259 3.889 13.938 91 HG3 GLU 12 HG3 GLU 12 -25.842 3.129 13.795 92 H GLU 13 H GLU 13 -22.840 3.891 9.853 93 HA GLU 13 HA GLU 13 -23.553 1.878 7.990 94 HB2 GLU 13 HB2 GLU 13 -23.851 4.424 7.764 95 HB3 GLU 13 HB3 GLU 13 -22.181 4.434 7.208 96 HG2 GLU 13 HG2 GLU 13 -23.784 4.374 5.352 97 HG3 GLU 13 HG3 GLU 13 -22.740 2.950 5.377 98 H GLU 14 H GLU 14 -20.417 3.373 8.798 99 HA GLU 14 HA GLU 14 -19.033 1.751 6.894 100 HB2 GLU 14 HB2 GLU 14 -18.052 3.440 9.189 101 HB3 GLU 14 HB3 GLU 14 -16.967 2.507 8.166 102 HG2 GLU 14 HG2 GLU 14 -17.986 3.718 6.197 103 HG3 GLU 14 HG3 GLU 14 -18.753 4.781 7.369 104 H ALA 15 H ALA 15 -20.027 1.339 10.202 105 HA ALA 15 HA ALA 15 -18.506 -1.019 10.697 106 HB1 ALA 15 HB1 ALA 15 -20.062 -1.408 12.533 107 HB2 ALA 15 HB2 ALA 15 -21.133 -0.156 11.903 108 HB3 ALA 15 HB3 ALA 15 -19.534 0.274 12.511 109 H HIS 16 H HIS 16 -21.398 -0.268 9.043 110 HA HIS 16 HA HIS 16 -22.334 -2.944 8.662 111 HB2 HIS 16 HB2 HIS 16 -23.912 -1.096 8.764 112 HB3 HIS 16 HB3 HIS 16 -23.115 -0.298 7.417 113 HD1 HIS 16 HD1 HIS 16 -24.962 -0.272 5.757 114 HD2 HIS 16 HD2 HIS 16 -24.322 -4.052 7.383 115 HE1 HIS 16 HE1 HIS 16 -26.413 -1.858 4.429 116 HE2 HIS 16 HE2 HIS 16 -25.993 -4.136 5.411 117 H LEU 17 H LEU 17 -20.331 -0.632 6.998 118 HA LEU 17 HA LEU 17 -20.217 -1.931 4.490 119 HB2 LEU 17 HB2 LEU 17 -19.485 0.432 5.051 120 HB3 LEU 17 HB3 LEU 17 -18.038 -0.270 5.748 121 HG LEU 17 HG LEU 17 -17.485 -1.242 3.528 122 HD11 LEU 17 HD11 LEU 17 -19.900 0.330 2.668 123 HD12 LEU 17 HD12 LEU 17 -19.670 -1.414 2.559 124 HD13 LEU 17 HD13 LEU 17 -18.696 -0.331 1.567 125 HD21 LEU 17 HD21 LEU 17 -16.540 0.892 4.245 126 HD22 LEU 17 HD22 LEU 17 -17.919 1.735 3.539 127 HD23 LEU 17 HD23 LEU 17 -16.802 0.847 2.501 128 H ARG 18 H ARG 18 -18.143 -2.069 7.375 129 HA ARG 18 HA ARG 18 -16.498 -4.157 6.346 130 HB2 ARG 18 HB2 ARG 18 -15.624 -4.340 8.633 131 HB3 ARG 18 HB3 ARG 18 -15.680 -2.657 8.126 132 HG2 ARG 18 HG2 ARG 18 -17.931 -2.574 9.347 133 HG3 ARG 18 HG3 ARG 18 -17.426 -4.089 10.092 134 HD2 ARG 18 HD2 ARG 18 -15.782 -1.568 10.155 135 HD3 ARG 18 HD3 ARG 18 -16.927 -2.012 11.414 136 HE ARG 18 HE ARG 18 -15.031 -4.089 10.926 137 HH11 ARG 18 HH11 ARG 18 -15.462 -0.987 12.485 138 HH12 ARG 18 HH12 ARG 18 -14.287 -1.288 13.720 139 HH21 ARG 18 HH21 ARG 18 -13.471 -4.496 12.574 140 HH22 ARG 18 HH22 ARG 18 -13.175 -3.292 13.787 141 H GLU 19 H GLU 19 -19.422 -3.887 8.201 142 HA GLU 19 HA GLU 19 -19.816 -6.402 9.178 143 HB2 GLU 19 HB2 GLU 19 -21.357 -4.545 9.559 144 HB3 GLU 19 HB3 GLU 19 -21.865 -4.618 7.879 145 HG2 GLU 19 HG2 GLU 19 -23.527 -5.649 9.239 146 HG3 GLU 19 HG3 GLU 19 -22.724 -6.882 8.271 147 H LEU 20 H LEU 20 -20.655 -5.172 5.989 148 HA LEU 20 HA LEU 20 -21.652 -7.603 4.940 149 HB2 LEU 20 HB2 LEU 20 -21.424 -4.889 4.170 150 HB3 LEU 20 HB3 LEU 20 -20.693 -5.847 2.901 151 HG LEU 20 HG LEU 20 -23.446 -6.448 3.942 152 HD11 LEU 20 HD11 LEU 20 -24.337 -5.141 2.112 153 HD12 LEU 20 HD12 LEU 20 -22.712 -4.668 1.626 154 HD13 LEU 20 HD13 LEU 20 -23.366 -4.117 3.167 155 HD21 LEU 20 HD21 LEU 20 -23.666 -7.499 1.719 156 HD22 LEU 20 HD22 LEU 20 -22.388 -8.224 2.696 157 HD23 LEU 20 HD23 LEU 20 -21.976 -7.108 1.398 158 H TYR 21 H TYR 21 -18.479 -6.131 5.030 159 HA TYR 21 HA TYR 21 -17.287 -7.704 2.982 160 HB2 TYR 21 HB2 TYR 21 -16.318 -5.561 3.704 161 HB3 TYR 21 HB3 TYR 21 -16.033 -6.218 5.310 162 HD1 TYR 21 HD1 TYR 21 -14.956 -6.335 1.786 163 HD2 TYR 21 HD2 TYR 21 -14.136 -7.609 5.757 164 HE1 TYR 21 HE1 TYR 21 -12.725 -7.079 1.081 165 HE2 TYR 21 HE2 TYR 21 -11.904 -8.363 5.061 166 HH TYR 21 HH TYR 21 -10.544 -7.521 2.053 167 H LEU 22 H LEU 22 -17.238 -7.833 6.496 168 HA LEU 22 HA LEU 22 -15.639 -10.130 6.767 169 HB2 LEU 22 HB2 LEU 22 -17.799 -9.303 8.690 170 HB3 LEU 22 HB3 LEU 22 -16.289 -10.113 9.047 171 HG LEU 22 HG LEU 22 -16.478 -7.275 8.057 172 HD11 LEU 22 HD11 LEU 22 -16.116 -8.295 10.863 173 HD12 LEU 22 HD12 LEU 22 -17.540 -7.476 10.224 174 HD13 LEU 22 HD13 LEU 22 -16.010 -6.611 10.350 175 HD21 LEU 22 HD21 LEU 22 -14.354 -8.463 7.597 176 HD22 LEU 22 HD22 LEU 22 -14.170 -8.729 9.331 177 HD23 LEU 22 HD23 LEU 22 -14.182 -7.086 8.685 178 H ALA 23 H ALA 23 -18.994 -9.736 6.017 179 HA ALA 23 HA ALA 23 -19.798 -12.347 6.917 180 HB1 ALA 23 HB1 ALA 23 -21.318 -10.409 6.984 181 HB2 ALA 23 HB2 ALA 23 -21.983 -11.766 6.077 182 HB3 ALA 23 HB3 ALA 23 -21.320 -10.374 5.220 183 H ASN 24 H ASN 24 -18.716 -10.961 3.884 184 HA ASN 24 HA ASN 24 -19.445 -13.483 2.547 185 HB2 ASN 24 HB2 ASN 24 -19.396 -10.681 1.420 186 HB3 ASN 24 HB3 ASN 24 -19.612 -12.132 0.448 187 HD21 ASN 24 HD21 ASN 24 -21.051 -9.983 2.752 188 HD22 ASN 24 HD22 ASN 24 -22.660 -10.617 2.638 189 H LYS 25 H LYS 25 -16.878 -12.588 3.890 190 HA LYS 25 HA LYS 25 -15.033 -12.379 1.660 191 HB2 LYS 25 HB2 LYS 25 -13.271 -12.289 3.366 192 HB3 LYS 25 HB3 LYS 25 -14.535 -11.110 3.683 193 HG2 LYS 25 HG2 LYS 25 -15.433 -12.434 5.451 194 HG3 LYS 25 HG3 LYS 25 -14.390 -13.795 5.036 195 HD2 LYS 25 HD2 LYS 25 -13.385 -11.103 5.957 196 HD3 LYS 25 HD3 LYS 25 -13.632 -12.487 7.024 197 HE2 LYS 25 HE2 LYS 25 -12.040 -13.783 5.631 198 HE3 LYS 25 HE3 LYS 25 -11.744 -12.335 4.671 199 HZ1 LYS 25 HZ1 LYS 25 -10.894 -11.239 6.641 200 HZ2 LYS 25 HZ2 LYS 25 -10.047 -12.672 6.359 201 HZ3 LYS 25 HZ3 LYS 25 -11.211 -12.609 7.581 202 H ASP 26 H ASP 26 -16.546 -14.861 3.349 203 HA ASP 26 HA ASP 26 -14.376 -16.781 2.891 204 HB2 ASP 26 HB2 ASP 26 -15.536 -16.662 5.122 205 HB3 ASP 26 HB3 ASP 26 -17.006 -17.213 4.328 206 H VAL 27 H VAL 27 -16.049 -15.602 0.760 207 HA VAL 27 HA VAL 27 -17.423 -18.014 -0.208 208 HB VAL 27 HB VAL 27 -18.011 -15.175 -1.061 209 HG11 VAL 27 HG11 VAL 27 -19.516 -17.755 -1.500 210 HG12 VAL 27 HG12 VAL 27 -18.570 -16.888 -2.711 211 HG13 VAL 27 HG13 VAL 27 -20.026 -16.156 -2.040 212 HG21 VAL 27 HG21 VAL 27 -19.512 -16.902 0.908 213 HG22 VAL 27 HG22 VAL 27 -20.049 -15.337 0.297 214 HG23 VAL 27 HG23 VAL 27 -18.596 -15.444 1.289 215 H GLU 28 H GLU 28 -16.140 -19.000 -1.578 216 HA GLU 28 HA GLU 28 -14.190 -17.487 -3.090 217 HB2 GLU 28 HB2 GLU 28 -14.609 -20.395 -2.513 218 HB3 GLU 28 HB3 GLU 28 -13.519 -19.882 -3.799 219 HG2 GLU 28 HG2 GLU 28 -13.283 -18.718 -1.061 220 HG3 GLU 28 HG3 GLU 28 -12.576 -20.285 -1.432 221 H GLY 29 H GLY 29 -14.005 -17.452 -5.290 222 HA2 GLY 29 HA2 GLY 29 -14.779 -17.503 -7.487 223 HA3 GLY 29 HA3 GLY 29 -16.102 -18.543 -6.963 224 H GLN 30 H GLN 30 -15.309 -15.574 -5.376 225 HA GLN 30 HA GLN 30 -17.626 -14.223 -6.506 226 HB2 GLN 30 HB2 GLN 30 -18.669 -15.400 -4.733 227 HB3 GLN 30 HB3 GLN 30 -17.329 -15.107 -3.642 228 HG2 GLN 30 HG2 GLN 30 -18.699 -12.698 -4.610 229 HG3 GLN 30 HG3 GLN 30 -19.664 -13.766 -3.590 230 HE21 GLN 30 HE21 GLN 30 -19.671 -12.101 -2.008 231 HE22 GLN 30 HE22 GLN 30 -18.301 -11.865 -0.984 232 H ASP 31 H ASP 31 -17.624 -11.988 -6.188 233 HA ASP 31 HA ASP 31 -15.103 -10.812 -5.271 234 HB2 ASP 31 HB2 ASP 31 -17.506 -9.639 -6.679 235 HB3 ASP 31 HB3 ASP 31 -16.117 -8.684 -6.168 236 H VAL 32 H VAL 32 -15.092 -10.561 -3.078 237 HA VAL 32 HA VAL 32 -17.360 -10.260 -1.463 238 HB VAL 32 HB VAL 32 -15.005 -10.816 -0.676 239 HG11 VAL 32 HG11 VAL 32 -13.789 -9.005 -1.702 240 HG12 VAL 32 HG12 VAL 32 -13.616 -8.915 0.050 241 HG13 VAL 32 HG13 VAL 32 -14.720 -7.819 -0.787 242 HG21 VAL 32 HG21 VAL 32 -15.321 -9.682 1.520 243 HG22 VAL 32 HG22 VAL 32 -16.755 -10.517 0.924 244 HG23 VAL 32 HG23 VAL 32 -16.639 -8.759 0.798 245 H VAL 33 H VAL 33 -15.393 -7.974 -3.170 246 HA VAL 33 HA VAL 33 -16.293 -5.536 -2.239 247 HB VAL 33 HB VAL 33 -15.932 -6.047 -5.164 248 HG11 VAL 33 HG11 VAL 33 -15.118 -3.762 -3.393 249 HG12 VAL 33 HG12 VAL 33 -16.504 -3.804 -4.481 250 HG13 VAL 33 HG13 VAL 33 -14.869 -3.856 -5.137 251 HG21 VAL 33 HG21 VAL 33 -14.154 -7.315 -4.326 252 HG22 VAL 33 HG22 VAL 33 -13.796 -6.136 -3.069 253 HG23 VAL 33 HG23 VAL 33 -13.448 -5.756 -4.755 254 H GLU 34 H GLU 34 -17.503 -7.408 -4.993 255 HA GLU 34 HA GLU 34 -19.604 -5.693 -5.654 256 HB2 GLU 34 HB2 GLU 34 -18.557 -7.530 -7.066 257 HB3 GLU 34 HB3 GLU 34 -19.558 -8.662 -6.164 258 HG2 GLU 34 HG2 GLU 34 -20.715 -8.200 -8.157 259 HG3 GLU 34 HG3 GLU 34 -21.534 -7.305 -6.876 260 H ALA 35 H ALA 35 -19.395 -8.418 -3.469 261 HA ALA 35 HA ALA 35 -22.112 -8.780 -2.893 262 HB1 ALA 35 HB1 ALA 35 -19.772 -9.059 -0.999 263 HB2 ALA 35 HB2 ALA 35 -20.313 -10.296 -2.134 264 HB3 ALA 35 HB3 ALA 35 -21.366 -9.795 -0.811 265 H ILE 36 H ILE 36 -19.684 -6.655 -1.451 266 HA ILE 36 HA ILE 36 -21.462 -5.457 0.411 267 HB ILE 36 HB ILE 36 -18.928 -4.261 -0.695 268 HG12 ILE 36 HG12 ILE 36 -19.215 -6.050 1.719 269 HG13 ILE 36 HG13 ILE 36 -18.669 -6.617 0.146 270 HG21 ILE 36 HG21 ILE 36 -20.381 -3.884 1.921 271 HG22 ILE 36 HG22 ILE 36 -20.300 -2.723 0.596 272 HG23 ILE 36 HG23 ILE 36 -18.840 -3.145 1.491 273 HD11 ILE 36 HD11 ILE 36 -17.325 -4.544 1.850 274 HD12 ILE 36 HD12 ILE 36 -16.775 -5.083 0.263 275 HD13 ILE 36 HD13 ILE 36 -16.807 -6.210 1.618 276 H LEU 37 H LEU 37 -20.038 -4.312 -2.635 277 HA LEU 37 HA LEU 37 -21.022 -1.780 -2.823 278 HB2 LEU 37 HB2 LEU 37 -21.090 -3.642 -5.183 279 HB3 LEU 37 HB3 LEU 37 -20.859 -1.919 -5.198 280 HG LEU 37 HG LEU 37 -18.859 -3.909 -4.118 281 HD11 LEU 37 HD11 LEU 37 -19.222 -4.051 -6.575 282 HD12 LEU 37 HD12 LEU 37 -17.601 -3.531 -6.124 283 HD13 LEU 37 HD13 LEU 37 -18.775 -2.354 -6.701 284 HD21 LEU 37 HD21 LEU 37 -17.332 -2.025 -4.099 285 HD22 LEU 37 HD22 LEU 37 -18.731 -1.703 -3.075 286 HD23 LEU 37 HD23 LEU 37 -18.614 -0.960 -4.668 287 H ALA 38 H ALA 38 -22.776 -4.733 -3.615 288 HA ALA 38 HA ALA 38 -24.992 -3.275 -4.757 289 HB1 ALA 38 HB1 ALA 38 -24.212 -5.320 -5.798 290 HB2 ALA 38 HB2 ALA 38 -25.882 -5.498 -5.253 291 HB3 ALA 38 HB3 ALA 38 -24.568 -6.221 -4.324 292 H HIS 39 H HIS 39 -24.320 -4.961 -1.728 293 HA HIS 39 HA HIS 39 -27.103 -5.405 -1.184 294 HB2 HIS 39 HB2 HIS 39 -24.583 -5.915 0.329 295 HB3 HIS 39 HB3 HIS 39 -26.126 -5.968 1.177 296 HD1 HIS 39 HD1 HIS 39 -27.363 -8.123 1.068 297 HD2 HIS 39 HD2 HIS 39 -24.456 -7.819 -1.883 298 HE1 HIS 39 HE1 HIS 39 -27.351 -10.352 -0.098 299 HE2 HIS 39 HE2 HIS 39 -25.716 -10.084 -1.993 300 H LEU 40 H LEU 40 -24.809 -2.888 -0.290 301 HA LEU 40 HA LEU 40 -26.858 -1.879 1.538 302 HB2 LEU 40 HB2 LEU 40 -25.304 -0.694 2.735 303 HB3 LEU 40 HB3 LEU 40 -24.428 -2.134 2.287 304 HG LEU 40 HG LEU 40 -24.121 0.531 0.900 305 HD11 LEU 40 HD11 LEU 40 -23.407 0.663 3.228 306 HD12 LEU 40 HD12 LEU 40 -22.022 0.709 2.135 307 HD13 LEU 40 HD13 LEU 40 -22.408 -0.775 3.009 308 HD21 LEU 40 HD21 LEU 40 -22.065 -0.454 0.024 309 HD22 LEU 40 HD22 LEU 40 -23.487 -1.358 -0.498 310 HD23 LEU 40 HD23 LEU 40 -22.467 -1.985 0.797 311 H ASN 41 H ASN 41 -28.276 -1.232 -0.063 312 HA ASN 41 HA ASN 41 -27.569 1.008 -1.762 313 HB2 ASN 41 HB2 ASN 41 -29.928 0.940 -2.470 314 HB3 ASN 41 HB3 ASN 41 -29.179 -0.647 -2.589 315 HD21 ASN 41 HD21 ASN 41 -31.995 0.245 -2.302 316 HD22 ASN 41 HD22 ASN 41 -32.607 -0.621 -0.937 317 H THR 42 H THR 42 -27.053 1.513 0.849 318 HA THR 42 HA THR 42 -29.242 3.081 1.974 319 HB THR 42 HB THR 42 -28.173 1.548 3.505 320 HG1 THR 42 HG1 THR 42 -27.026 3.369 4.884 321 HG21 THR 42 HG21 THR 42 -25.793 1.664 4.050 322 HG22 THR 42 HG22 THR 42 -25.573 2.950 2.857 323 HG23 THR 42 HG23 THR 42 -26.023 1.324 2.332 324 H VAL 43 H VAL 43 -26.138 3.415 0.458 325 HA VAL 43 HA VAL 43 -26.245 6.320 0.838 326 HB VAL 43 HB VAL 43 -24.620 5.544 2.436 327 HG11 VAL 43 HG11 VAL 43 -23.323 4.072 0.167 328 HG12 VAL 43 HG12 VAL 43 -24.183 3.351 1.523 329 HG13 VAL 43 HG13 VAL 43 -22.672 4.218 1.798 330 HG21 VAL 43 HG21 VAL 43 -23.206 6.630 0.008 331 HG22 VAL 43 HG22 VAL 43 -22.583 6.650 1.658 332 HG23 VAL 43 HG23 VAL 43 -24.022 7.580 1.246 333 HA PRO 44 HA PRO 44 -25.504 6.114 -3.563 334 HB2 PRO 44 HB2 PRO 44 -25.670 8.746 -4.077 335 HB3 PRO 44 HB3 PRO 44 -27.101 7.798 -3.653 336 HG2 PRO 44 HG2 PRO 44 -25.468 9.632 -1.946 337 HG3 PRO 44 HG3 PRO 44 -27.227 9.427 -2.007 338 HD2 PRO 44 HD2 PRO 44 -25.592 8.282 -0.107 339 HD3 PRO 44 HD3 PRO 44 -27.193 7.666 -0.561 340 H ARG 45 H ARG 45 -23.433 5.467 -3.805 341 HA ARG 45 HA ARG 45 -21.426 7.488 -4.179 342 HB2 ARG 45 HB2 ARG 45 -19.856 6.003 -2.652 343 HB3 ARG 45 HB3 ARG 45 -20.815 7.310 -1.975 344 HG2 ARG 45 HG2 ARG 45 -21.194 5.597 -0.494 345 HG3 ARG 45 HG3 ARG 45 -22.575 5.434 -1.586 346 HD2 ARG 45 HD2 ARG 45 -20.878 3.916 -2.885 347 HD3 ARG 45 HD3 ARG 45 -20.167 3.748 -1.290 348 HE ARG 45 HE ARG 45 -22.164 2.719 -0.532 349 HH11 ARG 45 HH11 ARG 45 -22.112 3.300 -4.000 350 HH12 ARG 45 HH12 ARG 45 -23.327 2.109 -4.337 351 HH21 ARG 45 HH21 ARG 45 -23.758 1.119 -1.019 352 HH22 ARG 45 HH22 ARG 45 -24.238 0.873 -2.667 353 H THR 46 H THR 46 -19.311 6.412 -4.902 354 HA THR 46 HA THR 46 -19.985 4.613 -7.024 355 HB THR 46 HB THR 46 -17.613 4.780 -7.653 356 HG1 THR 46 HG1 THR 46 -16.404 6.377 -6.284 357 HG21 THR 46 HG21 THR 46 -17.527 7.257 -7.944 358 HG22 THR 46 HG22 THR 46 -18.945 7.374 -6.900 359 HG23 THR 46 HG23 THR 46 -19.052 6.531 -8.444 360 H ARG 47 H ARG 47 -18.279 2.780 -7.445 361 HA ARG 47 HA ARG 47 -18.569 0.906 -5.302 362 HB2 ARG 47 HB2 ARG 47 -16.931 0.644 -7.832 363 HB3 ARG 47 HB3 ARG 47 -17.444 -0.667 -6.781 364 HG2 ARG 47 HG2 ARG 47 -19.139 1.032 -8.592 365 HG3 ARG 47 HG3 ARG 47 -18.884 -0.713 -8.650 366 HD2 ARG 47 HD2 ARG 47 -20.010 -0.884 -6.442 367 HD3 ARG 47 HD3 ARG 47 -20.370 0.833 -6.532 368 HE ARG 47 HE ARG 47 -21.323 -0.492 -8.842 369 HH11 ARG 47 HH11 ARG 47 -22.015 -0.106 -5.436 370 HH12 ARG 47 HH12 ARG 47 -23.715 -0.376 -5.613 371 HH21 ARG 47 HH21 ARG 47 -23.568 -0.859 -9.085 372 HH22 ARG 47 HH22 ARG 47 -24.600 -0.805 -7.694 373 H LYS 48 H LYS 48 -16.102 2.995 -6.534 374 HA LYS 48 HA LYS 48 -13.851 2.028 -5.175 375 HB2 LYS 48 HB2 LYS 48 -13.687 3.691 -6.942 376 HB3 LYS 48 HB3 LYS 48 -14.607 4.841 -5.984 377 HG2 LYS 48 HG2 LYS 48 -12.789 4.863 -4.321 378 HG3 LYS 48 HG3 LYS 48 -11.863 3.777 -5.359 379 HD2 LYS 48 HD2 LYS 48 -11.054 5.942 -5.823 380 HD3 LYS 48 HD3 LYS 48 -12.110 5.528 -7.173 381 HE2 LYS 48 HE2 LYS 48 -12.668 7.740 -6.628 382 HE3 LYS 48 HE3 LYS 48 -13.947 6.766 -5.906 383 HZ1 LYS 48 HZ1 LYS 48 -11.598 7.872 -4.461 384 HZ2 LYS 48 HZ2 LYS 48 -12.845 6.965 -3.768 385 HZ3 LYS 48 HZ3 LYS 48 -13.170 8.494 -4.407 386 H GLN 49 H GLN 49 -16.470 4.140 -4.187 387 HA GLN 49 HA GLN 49 -15.338 5.162 -1.840 388 HB2 GLN 49 HB2 GLN 49 -18.222 4.700 -2.595 389 HB3 GLN 49 HB3 GLN 49 -17.714 5.595 -1.168 390 HG2 GLN 49 HG2 GLN 49 -16.892 6.331 -3.967 391 HG3 GLN 49 HG3 GLN 49 -18.307 7.001 -3.164 392 HE21 GLN 49 HE21 GLN 49 -18.054 8.421 -1.473 393 HE22 GLN 49 HE22 GLN 49 -16.543 9.203 -1.145 394 H ILE 50 H ILE 50 -17.191 2.208 -2.415 395 HA ILE 50 HA ILE 50 -17.421 1.375 0.261 396 HB ILE 50 HB ILE 50 -17.396 -0.126 -2.345 397 HG12 ILE 50 HG12 ILE 50 -19.735 -0.729 -1.109 398 HG13 ILE 50 HG13 ILE 50 -19.422 0.865 -0.435 399 HG21 ILE 50 HG21 ILE 50 -17.558 -1.363 0.396 400 HG22 ILE 50 HG22 ILE 50 -16.343 -1.664 -0.846 401 HG23 ILE 50 HG23 ILE 50 -18.009 -2.185 -1.098 402 HD11 ILE 50 HD11 ILE 50 -19.728 0.124 -3.334 403 HD12 ILE 50 HD12 ILE 50 -19.170 1.706 -2.776 404 HD13 ILE 50 HD13 ILE 50 -20.787 1.145 -2.355 405 H ILE 51 H ILE 51 -15.029 0.526 -2.213 406 HA ILE 51 HA ILE 51 -13.438 -1.141 -0.639 407 HB ILE 51 HB ILE 51 -12.546 0.582 -2.951 408 HG12 ILE 51 HG12 ILE 51 -13.570 -2.258 -2.988 409 HG13 ILE 51 HG13 ILE 51 -14.536 -0.855 -3.431 410 HG21 ILE 51 HG21 ILE 51 -10.681 -0.333 -1.712 411 HG22 ILE 51 HG22 ILE 51 -10.835 -1.159 -3.264 412 HG23 ILE 51 HG23 ILE 51 -11.390 -1.946 -1.787 413 HD11 ILE 51 HD11 ILE 51 -12.977 -0.360 -5.242 414 HD12 ILE 51 HD12 ILE 51 -13.673 -1.973 -5.398 415 HD13 ILE 51 HD13 ILE 51 -12.025 -1.779 -4.804 416 H HIS 52 H HIS 52 -13.211 2.324 -1.286 417 HA HIS 52 HA HIS 52 -10.707 2.713 -0.103 418 HB2 HIS 52 HB2 HIS 52 -12.902 4.455 -1.008 419 HB3 HIS 52 HB3 HIS 52 -11.836 5.149 0.212 420 HD1 HIS 52 HD1 HIS 52 -10.206 6.587 -0.962 421 HD2 HIS 52 HD2 HIS 52 -10.893 3.031 -3.017 422 HE1 HIS 52 HE1 HIS 52 -8.627 6.617 -2.906 423 HE2 HIS 52 HE2 HIS 52 -8.941 4.389 -4.040 424 H HIS 53 H HIS 53 -13.950 2.837 1.345 425 HA HIS 53 HA HIS 53 -13.003 3.849 3.843 426 HB2 HIS 53 HB2 HIS 53 -15.540 2.392 3.120 427 HB3 HIS 53 HB3 HIS 53 -15.200 2.985 4.740 428 HD1 HIS 53 HD1 HIS 53 -14.274 5.763 4.355 429 HD2 HIS 53 HD2 HIS 53 -17.282 4.108 2.003 430 HE1 HIS 53 HE1 HIS 53 -15.544 7.711 3.426 431 HE2 HIS 53 HE2 HIS 53 -17.515 6.672 2.260 432 H LEU 54 H LEU 54 -13.181 0.708 2.426 433 HA LEU 54 HA LEU 54 -13.038 -0.775 4.876 434 HB2 LEU 54 HB2 LEU 54 -12.635 -1.533 1.987 435 HB3 LEU 54 HB3 LEU 54 -12.444 -2.683 3.294 436 HG LEU 54 HG LEU 54 -15.007 -1.171 2.791 437 HD11 LEU 54 HD11 LEU 54 -14.251 -3.953 1.901 438 HD12 LEU 54 HD12 LEU 54 -14.418 -2.553 0.844 439 HD13 LEU 54 HD13 LEU 54 -15.825 -3.186 1.697 440 HD21 LEU 54 HD21 LEU 54 -14.460 -3.701 4.358 441 HD22 LEU 54 HD22 LEU 54 -16.000 -2.850 4.225 442 HD23 LEU 54 HD23 LEU 54 -14.649 -2.100 5.071 443 H VAL 55 H VAL 55 -10.745 0.002 2.287 444 HA VAL 55 HA VAL 55 -8.529 -1.225 3.585 445 HB VAL 55 HB VAL 55 -7.150 -0.224 1.868 446 HG11 VAL 55 HG11 VAL 55 -8.290 -1.080 -0.124 447 HG12 VAL 55 HG12 VAL 55 -9.807 -1.130 0.773 448 HG13 VAL 55 HG13 VAL 55 -8.465 -2.169 1.253 449 HG21 VAL 55 HG21 VAL 55 -8.094 2.022 1.826 450 HG22 VAL 55 HG22 VAL 55 -9.583 1.398 1.117 451 HG23 VAL 55 HG23 VAL 55 -8.076 1.329 0.204 452 H GLN 56 H GLN 56 -9.916 1.963 3.594 453 HA GLN 56 HA GLN 56 -7.771 3.202 5.017 454 HB2 GLN 56 HB2 GLN 56 -10.515 3.953 4.166 455 HB3 GLN 56 HB3 GLN 56 -9.814 4.858 5.492 456 HG2 GLN 56 HG2 GLN 56 -7.936 5.501 4.104 457 HG3 GLN 56 HG3 GLN 56 -8.550 4.508 2.780 458 HE21 GLN 56 HE21 GLN 56 -10.371 5.176 1.663 459 HE22 GLN 56 HE22 GLN 56 -10.929 6.810 1.701 460 H MET 57 H MET 57 -10.381 1.163 5.897 461 HA MET 57 HA MET 57 -10.551 2.132 8.609 462 HB2 MET 57 HB2 MET 57 -12.394 0.985 7.150 463 HB3 MET 57 HB3 MET 57 -11.657 -0.502 7.728 464 HG2 MET 57 HG2 MET 57 -12.057 0.184 10.032 465 HG3 MET 57 HG3 MET 57 -12.776 1.689 9.463 466 HE1 MET 57 HE1 MET 57 -14.261 0.185 6.770 467 HE2 MET 57 HE2 MET 57 -14.813 1.611 7.654 468 HE3 MET 57 HE3 MET 57 -15.885 0.224 7.463 469 H GLY 58 H GLY 58 -8.482 0.157 6.896 470 HA2 GLY 58 HA2 GLY 58 -6.527 -0.801 7.733 471 HA3 GLY 58 HA3 GLY 58 -7.177 -0.650 9.359 472 H LEU 59 H LEU 59 -9.546 -2.003 7.511 473 HA LEU 59 HA LEU 59 -8.962 -4.645 8.570 474 HB2 LEU 59 HB2 LEU 59 -11.234 -5.216 7.865 475 HB3 LEU 59 HB3 LEU 59 -11.193 -3.807 8.902 476 HG LEU 59 HG LEU 59 -11.178 -2.549 6.560 477 HD11 LEU 59 HD11 LEU 59 -11.142 -4.593 5.234 478 HD12 LEU 59 HD12 LEU 59 -12.626 -3.680 4.971 479 HD13 LEU 59 HD13 LEU 59 -12.648 -5.117 5.992 480 HD21 LEU 59 HD21 LEU 59 -12.788 -2.258 8.365 481 HD22 LEU 59 HD22 LEU 59 -13.634 -3.715 7.847 482 HD23 LEU 59 HD23 LEU 59 -13.578 -2.305 6.791 483 H ALA 60 H ALA 60 -8.465 -2.919 5.763 484 HA ALA 60 HA ALA 60 -7.672 -5.416 4.408 485 HB1 ALA 60 HB1 ALA 60 -9.616 -4.691 3.218 486 HB2 ALA 60 HB2 ALA 60 -8.205 -4.301 2.230 487 HB3 ALA 60 HB3 ALA 60 -9.020 -3.036 3.147 488 H ASP 61 H ASP 61 -5.945 -5.026 2.759 489 HA ASP 61 HA ASP 61 -3.904 -3.331 3.838 490 HB2 ASP 61 HB2 ASP 61 -4.047 -5.109 1.419 491 HB3 ASP 61 HB3 ASP 61 -2.685 -4.021 1.656 492 H SER 62 H SER 62 -5.305 -3.436 0.571 493 HA SER 62 HA SER 62 -5.489 -0.570 0.481 494 HB2 SER 62 HB2 SER 62 -3.974 -0.453 -1.544 495 HB3 SER 62 HB3 SER 62 -3.161 -0.686 0.000 496 HG SER 62 HG SER 62 -3.776 -3.085 -0.992 497 H VAL 63 H VAL 63 -6.036 0.093 -1.876 498 HA VAL 63 HA VAL 63 -8.458 -1.195 -2.516 499 HB VAL 63 HB VAL 63 -6.865 0.822 -4.109 500 HG11 VAL 63 HG11 VAL 63 -8.941 1.324 -5.276 501 HG12 VAL 63 HG12 VAL 63 -9.773 0.059 -4.374 502 HG13 VAL 63 HG13 VAL 63 -8.498 -0.366 -5.516 503 HG21 VAL 63 HG21 VAL 63 -7.451 1.615 -1.901 504 HG22 VAL 63 HG22 VAL 63 -9.131 1.139 -2.148 505 HG23 VAL 63 HG23 VAL 63 -8.430 2.439 -3.114 506 H LYS 64 H LYS 64 -5.231 -1.589 -3.684 507 HA LYS 64 HA LYS 64 -5.725 -2.734 -6.206 508 HB2 LYS 64 HB2 LYS 64 -3.450 -3.063 -6.255 509 HB3 LYS 64 HB3 LYS 64 -3.579 -1.898 -4.953 510 HG2 LYS 64 HG2 LYS 64 -3.582 -3.811 -3.348 511 HG3 LYS 64 HG3 LYS 64 -3.133 -4.838 -4.712 512 HD2 LYS 64 HD2 LYS 64 -1.162 -3.434 -5.107 513 HD3 LYS 64 HD3 LYS 64 -1.611 -2.428 -3.729 514 HE2 LYS 64 HE2 LYS 64 -0.882 -5.353 -3.651 515 HE3 LYS 64 HE3 LYS 64 0.115 -4.008 -3.104 516 HZ1 LYS 64 HZ1 LYS 64 -0.957 -5.047 -1.235 517 HZ2 LYS 64 HZ2 LYS 64 -2.485 -4.861 -1.934 518 HZ3 LYS 64 HZ3 LYS 64 -1.608 -3.501 -1.445 519 H ASP 65 H ASP 65 -5.746 -3.983 -3.002 520 HA ASP 65 HA ASP 65 -5.676 -6.752 -3.604 521 HB2 ASP 65 HB2 ASP 65 -6.811 -5.302 -1.205 522 HB3 ASP 65 HB3 ASP 65 -6.547 -7.041 -1.298 523 H PHE 66 H PHE 66 -8.129 -4.384 -3.840 524 HA PHE 66 HA PHE 66 -10.243 -6.401 -4.198 525 HB2 PHE 66 HB2 PHE 66 -10.405 -3.374 -4.091 526 HB3 PHE 66 HB3 PHE 66 -11.777 -4.455 -4.266 527 HD1 PHE 66 HD1 PHE 66 -13.071 -4.479 -2.402 528 HD2 PHE 66 HD2 PHE 66 -8.846 -4.304 -1.950 529 HE1 PHE 66 HE1 PHE 66 -13.333 -4.527 0.040 530 HE2 PHE 66 HE2 PHE 66 -9.101 -4.351 0.485 531 HZ PHE 66 HZ PHE 66 -11.344 -4.458 1.489 532 H GLN 67 H GLN 67 -8.707 -3.622 -5.692 533 HA GLN 67 HA GLN 67 -9.380 -4.617 -8.366 534 HB2 GLN 67 HB2 GLN 67 -9.689 -1.765 -7.371 535 HB3 GLN 67 HB3 GLN 67 -9.827 -2.260 -9.059 536 HG2 GLN 67 HG2 GLN 67 -11.721 -3.719 -8.428 537 HG3 GLN 67 HG3 GLN 67 -11.609 -3.097 -6.784 538 HE21 GLN 67 HE21 GLN 67 -13.828 -2.949 -8.610 539 HE22 GLN 67 HE22 GLN 67 -14.167 -1.268 -8.839 540 H ARG 68 H ARG 68 -7.236 -5.347 -8.510 541 HA ARG 68 HA ARG 68 -4.991 -3.709 -7.998 542 HB2 ARG 68 HB2 ARG 68 -4.964 -6.205 -8.021 543 HB3 ARG 68 HB3 ARG 68 -5.122 -6.151 -9.771 544 HG2 ARG 68 HG2 ARG 68 -2.985 -5.073 -9.986 545 HG3 ARG 68 HG3 ARG 68 -2.837 -4.923 -8.233 546 HD2 ARG 68 HD2 ARG 68 -1.508 -6.790 -9.107 547 HD3 ARG 68 HD3 ARG 68 -2.777 -7.348 -8.018 548 HE ARG 68 HE ARG 68 -3.151 -7.410 -10.937 549 HH11 ARG 68 HH11 ARG 68 -3.048 -9.054 -7.848 550 HH12 ARG 68 HH12 ARG 68 -3.640 -10.552 -8.485 551 HH21 ARG 68 HH21 ARG 68 -3.947 -9.360 -11.773 552 HH22 ARG 68 HH22 ARG 68 -4.164 -10.724 -10.722 553 H LYS 69 H LYS 69 -5.504 -1.808 -9.057 554 HA LYS 69 HA LYS 69 -4.375 -1.645 -11.705 555 HB2 LYS 69 HB2 LYS 69 -6.618 -1.917 -12.428 556 HB3 LYS 69 HB3 LYS 69 -7.244 -0.922 -11.120 557 HG2 LYS 69 HG2 LYS 69 -6.243 1.056 -12.141 558 HG3 LYS 69 HG3 LYS 69 -5.613 0.060 -13.451 559 HD2 LYS 69 HD2 LYS 69 -7.762 -0.387 -14.290 560 HD3 LYS 69 HD3 LYS 69 -8.544 0.168 -12.807 561 HE2 LYS 69 HE2 LYS 69 -8.731 1.763 -14.711 562 HE3 LYS 69 HE3 LYS 69 -7.966 2.442 -13.277 563 HZ1 LYS 69 HZ1 LYS 69 -5.811 2.107 -14.304 564 HZ2 LYS 69 HZ2 LYS 69 -6.794 3.060 -15.293 565 HZ3 LYS 69 HZ3 LYS 69 -6.537 1.435 -15.677 566 H GLY 70 H GLY 70 -6.145 0.089 -9.169 567 HA2 GLY 70 HA2 GLY 70 -4.592 2.492 -9.617 568 HA3 GLY 70 HA3 GLY 70 -5.884 2.283 -8.444 569 H THR 71 H THR 71 -2.550 1.241 -9.110 570 HA THR 71 HA THR 71 -2.067 0.779 -6.317 571 HB THR 71 HB THR 71 0.433 0.864 -7.405 572 HG1 THR 71 HG1 THR 71 0.210 0.827 -9.526 573 HG21 THR 71 HG21 THR 71 -0.480 -0.943 -6.065 574 HG22 THR 71 HG22 THR 71 0.240 -1.594 -7.539 575 HG23 THR 71 HG23 THR 71 -1.513 -1.453 -7.402 576 H HIS 72 H HIS 72 -1.249 2.092 -4.908 577 HA HIS 72 HA HIS 72 -1.000 4.873 -5.316 578 HB2 HIS 72 HB2 HIS 72 -0.210 4.880 -2.980 579 HB3 HIS 72 HB3 HIS 72 -1.644 3.873 -3.163 580 HD1 HIS 72 HD1 HIS 72 -1.123 1.206 -3.264 581 HD2 HIS 72 HD2 HIS 72 1.959 3.639 -1.925 582 HE1 HIS 72 HE1 HIS 72 0.622 -0.341 -2.349 583 HE2 HIS 72 HE2 HIS 72 2.225 1.176 -1.150 584 H ILE 73 H ILE 73 0.720 3.928 -7.242 585 HA ILE 73 HA ILE 73 3.327 3.487 -6.269 586 HB ILE 73 HB ILE 73 2.216 3.858 -8.945 587 HG12 ILE 73 HG12 ILE 73 2.984 1.762 -7.650 588 HG13 ILE 73 HG13 ILE 73 3.434 1.899 -9.359 589 HG21 ILE 73 HG21 ILE 73 5.033 4.714 -8.385 590 HG22 ILE 73 HG22 ILE 73 3.748 5.681 -9.110 591 HG23 ILE 73 HG23 ILE 73 4.415 4.304 -9.985 592 HD11 ILE 73 HD11 ILE 73 5.284 1.110 -7.929 593 HD12 ILE 73 HD12 ILE 73 5.216 2.631 -7.036 594 HD13 ILE 73 HD13 ILE 73 5.657 2.629 -8.741 595 H VAL 74 H VAL 74 4.503 4.678 -5.293 596 HA VAL 74 HA VAL 74 4.405 7.401 -4.852 597 HB VAL 74 HB VAL 74 6.797 5.554 -4.899 598 HG11 VAL 74 HG11 VAL 74 7.396 7.929 -4.813 599 HG12 VAL 74 HG12 VAL 74 7.819 7.066 -3.338 600 HG13 VAL 74 HG13 VAL 74 6.399 8.112 -3.369 601 HG21 VAL 74 HG21 VAL 74 4.960 4.693 -3.542 602 HG22 VAL 74 HG22 VAL 74 4.911 6.219 -2.653 603 HG23 VAL 74 HG23 VAL 74 6.333 5.181 -2.543 604 H LEU 75 H LEU 75 4.986 9.080 -6.000 605 HA LEU 75 HA LEU 75 5.436 9.131 -8.668 606 HB2 LEU 75 HB2 LEU 75 6.192 11.406 -8.402 607 HB3 LEU 75 HB3 LEU 75 4.879 11.080 -7.293 608 HG LEU 75 HG LEU 75 7.770 11.059 -6.431 609 HD11 LEU 75 HD11 LEU 75 5.774 13.300 -6.390 610 HD12 LEU 75 HD12 LEU 75 7.272 13.237 -7.324 611 HD13 LEU 75 HD13 LEU 75 7.329 13.313 -5.561 612 HD21 LEU 75 HD21 LEU 75 6.437 9.949 -4.819 613 HD22 LEU 75 HD22 LEU 75 5.153 11.154 -4.947 614 HD23 LEU 75 HD23 LEU 75 6.695 11.581 -4.207 615 H TRP 76 H TRP 76 6.858 7.695 -9.478 616 HA TRP 76 HA TRP 76 9.598 7.710 -8.496 617 HB2 TRP 76 HB2 TRP 76 7.959 5.799 -10.126 618 HB3 TRP 76 HB3 TRP 76 9.722 5.715 -10.200 619 HD1 TRP 76 HD1 TRP 76 6.967 4.192 -8.442 620 HE1 TRP 76 HE1 TRP 76 7.685 3.155 -6.196 621 HE3 TRP 76 HE3 TRP 76 11.538 6.415 -7.976 622 HZ2 TRP 76 HZ2 TRP 76 9.912 3.271 -4.463 623 HZ3 TRP 76 HZ3 TRP 76 12.898 5.901 -5.992 624 HH2 TRP 76 HH2 TRP 76 12.102 4.364 -4.274 625 H THR 77 H THR 77 10.815 9.191 -9.351 626 HA THR 77 HA THR 77 10.784 9.598 -12.265 627 HB THR 77 HB THR 77 11.401 11.924 -11.912 628 HG1 THR 77 HG1 THR 77 11.604 12.758 -9.799 629 HG21 THR 77 HG21 THR 77 9.078 11.192 -10.113 630 HG22 THR 77 HG22 THR 77 8.992 11.429 -11.861 631 HG23 THR 77 HG23 THR 77 9.388 12.786 -10.805 632 H GLY 78 H GLY 78 13.049 10.672 -12.878 633 HA2 GLY 78 HA2 GLY 78 15.085 8.830 -12.249 634 HA3 GLY 78 HA3 GLY 78 15.328 10.393 -13.021 635 H ASP 79 H ASP 79 14.415 12.076 -11.059 636 HA ASP 79 HA ASP 79 16.602 12.308 -9.302 637 HB2 ASP 79 HB2 ASP 79 15.239 14.216 -10.029 638 HB3 ASP 79 HB3 ASP 79 13.850 13.553 -9.181 639 H GLN 80 H GLN 80 13.247 11.293 -8.759 640 HA GLN 80 HA GLN 80 13.441 10.828 -5.986 641 HB2 GLN 80 HB2 GLN 80 11.415 10.855 -7.811 642 HB3 GLN 80 HB3 GLN 80 11.593 9.130 -7.551 643 HG2 GLN 80 HG2 GLN 80 11.346 10.941 -5.198 644 HG3 GLN 80 HG3 GLN 80 9.913 10.518 -6.132 645 HE21 GLN 80 HE21 GLN 80 9.252 8.340 -6.224 646 HE22 GLN 80 HE22 GLN 80 9.772 7.201 -5.031 647 H GLU 81 H GLU 81 14.161 8.879 -8.785 648 HA GLU 81 HA GLU 81 14.410 6.411 -7.343 649 HB2 GLU 81 HB2 GLU 81 13.709 6.587 -9.721 650 HB3 GLU 81 HB3 GLU 81 15.335 7.116 -10.126 651 HG2 GLU 81 HG2 GLU 81 16.255 5.017 -9.606 652 HG3 GLU 81 HG3 GLU 81 14.788 4.494 -8.776 653 H LEU 82 H LEU 82 16.660 8.817 -8.692 654 HA LEU 82 HA LEU 82 19.040 7.521 -7.940 655 HB2 LEU 82 HB2 LEU 82 19.038 9.489 -9.396 656 HB3 LEU 82 HB3 LEU 82 18.460 10.481 -8.070 657 HG LEU 82 HG LEU 82 20.600 9.766 -6.845 658 HD11 LEU 82 HD11 LEU 82 21.383 9.065 -9.669 659 HD12 LEU 82 HD12 LEU 82 21.258 7.955 -8.303 660 HD13 LEU 82 HD13 LEU 82 22.492 9.216 -8.305 661 HD21 LEU 82 HD21 LEU 82 20.216 12.013 -7.626 662 HD22 LEU 82 HD22 LEU 82 20.749 11.569 -9.249 663 HD23 LEU 82 HD23 LEU 82 21.892 11.544 -7.905 664 H GLU 83 H GLU 83 16.902 9.743 -6.220 665 HA GLU 83 HA GLU 83 18.290 9.954 -3.832 666 HB2 GLU 83 HB2 GLU 83 15.340 9.967 -4.432 667 HB3 GLU 83 HB3 GLU 83 15.954 10.184 -2.798 668 HG2 GLU 83 HG2 GLU 83 16.685 11.915 -5.144 669 HG3 GLU 83 HG3 GLU 83 15.440 12.299 -3.957 670 H LEU 84 H LEU 84 15.954 7.485 -4.865 671 HA LEU 84 HA LEU 84 16.043 5.896 -2.548 672 HB2 LEU 84 HB2 LEU 84 14.347 5.473 -4.174 673 HB3 LEU 84 HB3 LEU 84 15.536 5.198 -5.435 674 HG LEU 84 HG LEU 84 16.300 3.173 -4.126 675 HD11 LEU 84 HD11 LEU 84 15.361 3.759 -1.966 676 HD12 LEU 84 HD12 LEU 84 14.724 2.211 -2.526 677 HD13 LEU 84 HD13 LEU 84 13.730 3.665 -2.632 678 HD21 LEU 84 HD21 LEU 84 14.947 2.946 -6.118 679 HD22 LEU 84 HD22 LEU 84 13.476 3.212 -5.183 680 HD23 LEU 84 HD23 LEU 84 14.445 1.767 -4.907 681 H GLN 85 H GLN 85 17.957 5.745 -5.531 682 HA GLN 85 HA GLN 85 19.408 3.449 -4.986 683 HB2 GLN 85 HB2 GLN 85 19.334 4.694 -7.159 684 HB3 GLN 85 HB3 GLN 85 20.428 5.879 -6.467 685 HG2 GLN 85 HG2 GLN 85 21.285 3.048 -6.382 686 HG3 GLN 85 HG3 GLN 85 21.255 3.835 -7.956 687 HE21 GLN 85 HE21 GLN 85 22.619 5.580 -8.345 688 HE22 GLN 85 HE22 GLN 85 24.009 5.884 -7.363 689 H ARG 86 H ARG 86 20.471 6.829 -4.394 690 HA ARG 86 HA ARG 86 22.803 6.129 -2.994 691 HB2 ARG 86 HB2 ARG 86 21.070 8.585 -2.713 692 HB3 ARG 86 HB3 ARG 86 22.670 8.411 -2.006 693 HG2 ARG 86 HG2 ARG 86 23.384 7.919 -4.465 694 HG3 ARG 86 HG3 ARG 86 21.882 8.759 -4.855 695 HD2 ARG 86 HD2 ARG 86 23.790 10.291 -4.812 696 HD3 ARG 86 HD3 ARG 86 22.615 10.687 -3.556 697 HE ARG 86 HE ARG 86 24.181 9.319 -2.063 698 HH11 ARG 86 HH11 ARG 86 25.245 11.320 -4.731 699 HH12 ARG 86 HH12 ARG 86 26.839 11.538 -4.087 700 HH21 ARG 86 HH21 ARG 86 26.253 9.600 -1.218 701 HH22 ARG 86 HH22 ARG 86 27.418 10.554 -2.093 702 H LEU 87 H LEU 87 19.598 6.970 -1.780 703 HA LEU 87 HA LEU 87 20.052 6.904 0.945 704 HB2 LEU 87 HB2 LEU 87 17.996 7.585 -0.406 705 HB3 LEU 87 HB3 LEU 87 17.562 5.893 -0.404 706 HG LEU 87 HG LEU 87 17.641 6.070 2.160 707 HD11 LEU 87 HD11 LEU 87 17.321 8.990 1.471 708 HD12 LEU 87 HD12 LEU 87 18.771 8.285 2.192 709 HD13 LEU 87 HD13 LEU 87 17.245 8.264 3.077 710 HD21 LEU 87 HD21 LEU 87 15.346 6.832 2.185 711 HD22 LEU 87 HD22 LEU 87 15.641 5.813 0.777 712 HD23 LEU 87 HD23 LEU 87 15.557 7.559 0.593 713 H PHE 88 H PHE 88 19.046 4.262 -1.190 714 HA PHE 88 HA PHE 88 18.816 2.273 0.781 715 HB2 PHE 88 HB2 PHE 88 17.761 1.912 -1.308 716 HB3 PHE 88 HB3 PHE 88 19.248 2.197 -2.199 717 HD1 PHE 88 HD1 PHE 88 20.398 0.405 -3.011 718 HD2 PHE 88 HD2 PHE 88 17.838 -0.163 0.334 719 HE1 PHE 88 HE1 PHE 88 20.817 -2.012 -3.099 720 HE2 PHE 88 HE2 PHE 88 18.259 -2.582 0.252 721 HZ PHE 88 HZ PHE 88 19.758 -3.504 -1.465 722 H GLU 89 H GLU 89 21.438 2.775 -1.585 723 HA GLU 89 HA GLU 89 23.147 0.765 -0.714 724 HB2 GLU 89 HB2 GLU 89 23.805 3.438 -1.955 725 HB3 GLU 89 HB3 GLU 89 24.922 2.082 -1.840 726 HG2 GLU 89 HG2 GLU 89 22.270 1.728 -3.121 727 HG3 GLU 89 HG3 GLU 89 23.581 2.487 -4.022 728 H GLU 90 H GLU 90 22.860 4.081 0.331 729 HA GLU 90 HA GLU 90 25.202 4.086 1.918 730 HB2 GLU 90 HB2 GLU 90 22.882 5.888 1.466 731 HB3 GLU 90 HB3 GLU 90 23.958 6.220 2.828 732 HG2 GLU 90 HG2 GLU 90 25.852 6.369 1.314 733 HG3 GLU 90 HG3 GLU 90 24.823 5.941 -0.050 734 H PHE 91 H PHE 91 21.981 2.948 2.529 735 HA PHE 91 HA PHE 91 22.673 2.781 5.393 736 HB2 PHE 91 HB2 PHE 91 19.969 3.094 4.103 737 HB3 PHE 91 HB3 PHE 91 20.185 2.650 5.795 738 HD1 PHE 91 HD1 PHE 91 19.583 5.319 3.673 739 HD2 PHE 91 HD2 PHE 91 21.920 4.255 7.065 740 HE1 PHE 91 HE1 PHE 91 19.776 7.696 4.280 741 HE2 PHE 91 HE2 PHE 91 22.117 6.628 7.680 742 HZ PHE 91 HZ PHE 91 21.043 8.351 6.288 743 H ARG 92 H ARG 92 22.933 0.818 2.948 744 HA ARG 92 HA ARG 92 21.252 -1.398 3.425 745 HB2 ARG 92 HB2 ARG 92 24.073 -1.409 2.352 746 HB3 ARG 92 HB3 ARG 92 22.935 -2.744 2.254 747 HG2 ARG 92 HG2 ARG 92 21.452 -1.375 0.896 748 HG3 ARG 92 HG3 ARG 92 22.619 -0.050 1.003 749 HD2 ARG 92 HD2 ARG 92 22.858 -1.220 -1.080 750 HD3 ARG 92 HD3 ARG 92 24.294 -1.446 -0.099 751 HE ARG 92 HE ARG 92 23.168 -3.669 0.502 752 HH11 ARG 92 HH11 ARG 92 22.929 -2.099 -2.633 753 HH12 ARG 92 HH12 ARG 92 22.651 -3.593 -3.485 754 HH21 ARG 92 HH21 ARG 92 22.839 -5.618 -0.625 755 HH22 ARG 92 HH22 ARG 92 22.620 -5.588 -2.346 756 H ASP 93 H ASP 93 24.105 -0.281 4.953 757 HA ASP 93 HA ASP 93 24.923 -2.662 6.212 758 HB2 ASP 93 HB2 ASP 93 26.272 -0.569 5.892 759 HB3 ASP 93 HB3 ASP 93 25.380 0.134 7.238 760 H SER 94 H SER 94 22.045 -1.246 6.656 761 HA SER 94 HA SER 94 21.877 -2.011 9.492 762 HB2 SER 94 HB2 SER 94 19.836 -0.566 7.779 763 HB3 SER 94 HB3 SER 94 19.747 -0.823 9.521 764 HG SER 94 HG SER 94 22.013 0.447 8.510 765 H ASP 95 H ASP 95 20.453 -3.669 10.132 766 HA ASP 95 HA ASP 95 20.067 -5.730 8.221 767 HB2 ASP 95 HB2 ASP 95 19.078 -7.026 9.993 768 HB3 ASP 95 HB3 ASP 95 20.456 -6.151 10.644 769 H ASP 96 H ASP 96 18.181 -3.046 9.086 770 HA ASP 96 HA ASP 96 16.226 -3.920 7.092 771 HB2 ASP 96 HB2 ASP 96 15.103 -4.161 9.262 772 HB3 ASP 96 HB3 ASP 96 15.519 -2.502 9.675 773 H VAL 97 H VAL 97 17.357 -2.693 5.584 774 HA VAL 97 HA VAL 97 18.107 0.005 6.069 775 HB VAL 97 HB VAL 97 19.357 -1.270 4.442 776 HG11 VAL 97 HG11 VAL 97 17.602 -2.736 3.613 777 HG12 VAL 97 HG12 VAL 97 18.424 -1.915 2.282 778 HG13 VAL 97 HG13 VAL 97 16.831 -1.368 2.809 779 HG21 VAL 97 HG21 VAL 97 19.237 1.143 4.126 780 HG22 VAL 97 HG22 VAL 97 17.826 0.941 3.090 781 HG23 VAL 97 HG23 VAL 97 19.390 0.302 2.585 782 H LEU 98 H LEU 98 15.240 -1.527 4.816 783 HA LEU 98 HA LEU 98 14.228 0.701 3.413 784 HB2 LEU 98 HB2 LEU 98 12.889 -1.728 4.547 785 HB3 LEU 98 HB3 LEU 98 11.989 -0.464 3.727 786 HG LEU 98 HG LEU 98 13.814 -0.905 1.853 787 HD11 LEU 98 HD11 LEU 98 13.613 -3.533 3.303 788 HD12 LEU 98 HD12 LEU 98 15.066 -2.564 3.062 789 HD13 LEU 98 HD13 LEU 98 14.270 -3.315 1.681 790 HD21 LEU 98 HD21 LEU 98 11.379 -1.035 1.620 791 HD22 LEU 98 HD22 LEU 98 11.416 -2.672 2.280 792 HD23 LEU 98 HD23 LEU 98 12.206 -2.320 0.741 793 H GLY 99 H GLY 99 13.980 -0.300 6.768 794 HA2 GLY 99 HA2 GLY 99 12.059 1.536 7.644 795 HA3 GLY 99 HA3 GLY 99 13.396 0.934 8.624 796 H HIS 100 H HIS 100 15.554 1.908 7.253 797 HA HIS 100 HA HIS 100 15.609 4.624 8.121 798 HB2 HIS 100 HB2 HIS 100 17.590 3.043 6.463 799 HB3 HIS 100 HB3 HIS 100 17.890 4.655 7.101 800 HD1 HIS 100 HD1 HIS 100 19.316 4.562 9.117 801 HD2 HIS 100 HD2 HIS 100 16.808 1.256 8.854 802 HE1 HIS 100 HE1 HIS 100 19.875 3.125 11.103 803 HE2 HIS 100 HE2 HIS 100 18.332 1.143 10.940 804 H ILE 101 H ILE 101 15.211 2.979 5.065 805 HA ILE 101 HA ILE 101 15.587 5.113 3.313 806 HB ILE 101 HB ILE 101 13.965 2.596 3.111 807 HG12 ILE 101 HG12 ILE 101 16.491 3.575 1.766 808 HG13 ILE 101 HG13 ILE 101 16.389 2.370 3.047 809 HG21 ILE 101 HG21 ILE 101 12.782 4.218 1.753 810 HG22 ILE 101 HG22 ILE 101 13.623 3.059 0.725 811 HG23 ILE 101 HG23 ILE 101 14.279 4.674 0.950 812 HD11 ILE 101 HD11 ILE 101 15.193 2.071 0.305 813 HD12 ILE 101 HD12 ILE 101 15.241 0.850 1.577 814 HD13 ILE 101 HD13 ILE 101 16.735 1.396 0.821 815 H MET 102 H MET 102 12.415 3.828 4.411 816 HA MET 102 HA MET 102 11.037 5.918 3.080 817 HB2 MET 102 HB2 MET 102 9.055 5.091 4.512 818 HB3 MET 102 HB3 MET 102 9.739 4.018 3.301 819 HG2 MET 102 HG2 MET 102 10.838 2.722 4.926 820 HG3 MET 102 HG3 MET 102 10.565 3.923 6.167 821 HE1 MET 102 HE1 MET 102 8.938 1.241 3.875 822 HE2 MET 102 HE2 MET 102 7.989 2.683 3.505 823 HE3 MET 102 HE3 MET 102 7.244 1.326 4.355 824 H LYS 103 H LYS 103 12.504 5.768 6.188 825 HA LYS 103 HA LYS 103 10.938 7.984 7.203 826 HB2 LYS 103 HB2 LYS 103 13.145 6.295 8.295 827 HB3 LYS 103 HB3 LYS 103 12.833 7.861 9.026 828 HG2 LYS 103 HG2 LYS 103 11.684 6.098 10.230 829 HG3 LYS 103 HG3 LYS 103 10.527 7.199 9.485 830 HD2 LYS 103 HD2 LYS 103 10.152 5.613 7.677 831 HD3 LYS 103 HD3 LYS 103 11.363 4.524 8.361 832 HE2 LYS 103 HE2 LYS 103 9.128 3.773 8.931 833 HE3 LYS 103 HE3 LYS 103 9.990 4.285 10.379 834 HZ1 LYS 103 HZ1 LYS 103 7.729 5.107 10.384 835 HZ2 LYS 103 HZ2 LYS 103 7.969 5.881 8.904 836 HZ3 LYS 103 HZ3 LYS 103 8.811 6.400 10.271 837 H ASN 104 H ASN 104 14.114 7.493 5.757 838 HA ASN 104 HA ASN 104 14.847 10.258 6.355 839 HB2 ASN 104 HB2 ASN 104 16.405 7.907 5.315 840 HB3 ASN 104 HB3 ASN 104 17.049 9.542 5.230 841 HD21 ASN 104 HD21 ASN 104 15.022 8.421 7.851 842 HD22 ASN 104 HD22 ASN 104 16.252 8.437 9.063 843 H ILE 105 H ILE 105 13.251 8.699 3.896 844 HA ILE 105 HA ILE 105 14.415 10.331 1.783 845 HB ILE 105 HB ILE 105 13.869 8.023 1.250 846 HG12 ILE 105 HG12 ILE 105 12.390 8.488 -0.787 847 HG13 ILE 105 HG13 ILE 105 12.350 10.152 -0.214 848 HG21 ILE 105 HG21 ILE 105 11.002 8.780 1.712 849 HG22 ILE 105 HG22 ILE 105 11.962 7.683 2.702 850 HG23 ILE 105 HG23 ILE 105 11.567 7.251 1.038 851 HD11 ILE 105 HD11 ILE 105 14.048 9.980 -1.863 852 HD12 ILE 105 HD12 ILE 105 14.752 8.572 -1.068 853 HD13 ILE 105 HD13 ILE 105 14.840 10.153 -0.296 854 H THR 106 H THR 106 13.284 11.804 0.576 855 HA THR 106 HA THR 106 11.656 13.563 2.014 856 HB THR 106 HB THR 106 13.210 14.071 0.097 857 HG1 THR 106 HG1 THR 106 11.513 15.523 0.976 858 HG21 THR 106 HG21 THR 106 10.836 13.200 -1.551 859 HG22 THR 106 HG22 THR 106 12.412 12.411 -1.498 860 HG23 THR 106 HG23 THR 106 12.261 14.036 -2.167 861 H ALA 107 H ALA 107 10.854 10.793 0.141 862 HA ALA 107 HA ALA 107 8.029 11.641 0.023 863 HB1 ALA 107 HB1 ALA 107 7.742 10.051 -1.803 864 HB2 ALA 107 HB2 ALA 107 9.437 9.580 -1.675 865 HB3 ALA 107 HB3 ALA 107 9.011 11.216 -2.183 866 H LYS 108 H LYS 108 6.580 10.505 1.208 867 HA LYS 108 HA LYS 108 7.599 8.390 2.876 868 HB2 LYS 108 HB2 LYS 108 4.783 9.458 2.637 869 HB3 LYS 108 HB3 LYS 108 5.361 8.372 3.888 870 HG2 LYS 108 HG2 LYS 108 6.537 11.102 3.481 871 HG3 LYS 108 HG3 LYS 108 5.116 10.833 4.482 872 HD2 LYS 108 HD2 LYS 108 6.778 10.744 6.065 873 HD3 LYS 108 HD3 LYS 108 6.644 9.041 5.641 874 HE2 LYS 108 HE2 LYS 108 8.976 9.819 5.825 875 HE3 LYS 108 HE3 LYS 108 8.603 9.201 4.226 876 HZ1 LYS 108 HZ1 LYS 108 8.276 11.537 3.520 877 HZ2 LYS 108 HZ2 LYS 108 9.858 11.200 4.009 878 HZ3 LYS 108 HZ3 LYS 108 8.818 12.044 5.039 879 H ARG 109 H ARG 109 8.002 6.556 1.887 880 HA ARG 109 HA ARG 109 6.009 5.512 0.003 881 HB2 ARG 109 HB2 ARG 109 8.794 4.446 0.407 882 HB3 ARG 109 HB3 ARG 109 7.712 4.150 -0.940 883 HG2 ARG 109 HG2 ARG 109 7.942 6.619 -1.474 884 HG3 ARG 109 HG3 ARG 109 9.276 6.629 -0.317 885 HD2 ARG 109 HD2 ARG 109 10.051 4.531 -1.692 886 HD3 ARG 109 HD3 ARG 109 9.053 5.248 -2.950 887 HE ARG 109 HE ARG 109 10.485 7.181 -2.913 888 HH11 ARG 109 HH11 ARG 109 11.652 4.485 -1.015 889 HH12 ARG 109 HH12 ARG 109 13.320 4.913 -1.189 890 HH21 ARG 109 HH21 ARG 109 12.688 7.741 -3.177 891 HH22 ARG 109 HH22 ARG 109 13.911 6.769 -2.414 892 H SER 110 H SER 110 5.523 3.260 0.107 893 HA SER 110 HA SER 110 5.744 2.111 2.788 894 HB2 SER 110 HB2 SER 110 3.492 2.135 1.816 895 HB3 SER 110 HB3 SER 110 4.076 1.282 0.386 896 HG SER 110 HG SER 110 3.162 0.235 2.625 897 H ARG 111 H ARG 111 6.144 -0.309 2.826 898 HA ARG 111 HA ARG 111 8.743 -0.783 1.909 899 HB2 ARG 111 HB2 ARG 111 6.635 -2.704 2.899 900 HB3 ARG 111 HB3 ARG 111 8.308 -3.162 2.602 901 HG2 ARG 111 HG2 ARG 111 7.455 -1.008 4.527 902 HG3 ARG 111 HG3 ARG 111 7.789 -2.678 4.983 903 HD2 ARG 111 HD2 ARG 111 10.072 -2.459 4.202 904 HD3 ARG 111 HD3 ARG 111 9.747 -0.820 3.647 905 HE ARG 111 HE ARG 111 9.447 -0.192 5.984 906 HH11 ARG 111 HH11 ARG 111 10.945 -3.293 5.395 907 HH12 ARG 111 HH12 ARG 111 11.900 -3.251 6.842 908 HH21 ARG 111 HH21 ARG 111 10.651 -0.181 7.948 909 HH22 ARG 111 HH22 ARG 111 11.720 -1.513 8.294 910 H ALA 112 H ALA 112 5.641 -1.911 0.646 911 HA ALA 112 HA ALA 112 6.640 -3.669 -1.294 912 HB1 ALA 112 HB1 ALA 112 4.071 -2.094 -1.347 913 HB2 ALA 112 HB2 ALA 112 4.309 -3.663 -0.579 914 HB3 ALA 112 HB3 ALA 112 4.440 -3.510 -2.331 915 H ARG 113 H ARG 113 6.460 -0.215 -1.256 916 HA ARG 113 HA ARG 113 6.666 0.064 -4.126 917 HB2 ARG 113 HB2 ARG 113 6.842 2.074 -1.879 918 HB3 ARG 113 HB3 ARG 113 6.978 2.498 -3.581 919 HG2 ARG 113 HG2 ARG 113 4.597 1.272 -2.216 920 HG3 ARG 113 HG3 ARG 113 4.746 2.925 -2.817 921 HD2 ARG 113 HD2 ARG 113 3.543 1.788 -4.490 922 HD3 ARG 113 HD3 ARG 113 5.213 1.885 -5.081 923 HE ARG 113 HE ARG 113 5.144 -0.509 -3.813 924 HH11 ARG 113 HH11 ARG 113 3.066 0.864 -6.265 925 HH12 ARG 113 HH12 ARG 113 2.762 -0.662 -7.034 926 HH21 ARG 113 HH21 ARG 113 4.736 -2.508 -4.808 927 HH22 ARG 113 HH22 ARG 113 3.694 -2.577 -6.195 928 H ILE 114 H ILE 114 8.753 -0.031 -1.389 929 HA ILE 114 HA ILE 114 10.960 1.116 -2.826 930 HB ILE 114 HB ILE 114 10.891 -0.142 -0.079 931 HG12 ILE 114 HG12 ILE 114 10.688 2.761 -0.893 932 HG13 ILE 114 HG13 ILE 114 9.330 1.767 -0.388 933 HG21 ILE 114 HG21 ILE 114 13.147 0.019 -1.071 934 HG22 ILE 114 HG22 ILE 114 12.948 1.067 0.335 935 HG23 ILE 114 HG23 ILE 114 12.901 1.753 -1.290 936 HD11 ILE 114 HD11 ILE 114 10.149 3.227 1.418 937 HD12 ILE 114 HD12 ILE 114 11.713 2.418 1.339 938 HD13 ILE 114 HD13 ILE 114 10.279 1.517 1.827 939 H VAL 115 H VAL 115 9.999 -2.057 -1.559 940 HA VAL 115 HA VAL 115 12.339 -3.438 -2.309 941 HB VAL 115 HB VAL 115 11.035 -5.509 -2.123 942 HG11 VAL 115 HG11 VAL 115 10.381 -3.545 0.065 943 HG12 VAL 115 HG12 VAL 115 11.887 -4.445 -0.100 944 HG13 VAL 115 HG13 VAL 115 10.379 -5.303 0.205 945 HG21 VAL 115 HG21 VAL 115 8.666 -5.475 -1.562 946 HG22 VAL 115 HG22 VAL 115 8.947 -4.749 -3.144 947 HG23 VAL 115 HG23 VAL 115 8.637 -3.721 -1.745 948 H ASP 116 H ASP 116 9.360 -2.705 -4.034 949 HA ASP 116 HA ASP 116 9.771 -4.347 -6.266 950 HB2 ASP 116 HB2 ASP 116 7.615 -3.343 -5.847 951 HB3 ASP 116 HB3 ASP 116 8.290 -1.725 -6.005 952 H LYS 117 H LYS 117 10.698 -0.948 -5.691 953 HA LYS 117 HA LYS 117 11.650 -0.638 -8.349 954 HB2 LYS 117 HB2 LYS 117 11.012 1.112 -6.344 955 HB3 LYS 117 HB3 LYS 117 12.770 1.217 -6.376 956 HG2 LYS 117 HG2 LYS 117 11.936 2.883 -7.851 957 HG3 LYS 117 HG3 LYS 117 12.615 1.593 -8.850 958 HD2 LYS 117 HD2 LYS 117 10.168 0.669 -8.806 959 HD3 LYS 117 HD3 LYS 117 9.754 2.332 -8.387 960 HE2 LYS 117 HE2 LYS 117 11.290 1.457 -10.834 961 HE3 LYS 117 HE3 LYS 117 9.593 1.926 -10.799 962 HZ1 LYS 117 HZ1 LYS 117 10.697 3.821 -11.500 963 HZ2 LYS 117 HZ2 LYS 117 11.987 3.622 -10.423 964 HZ3 LYS 117 HZ3 LYS 117 10.467 4.112 -9.850 965 H LEU 118 H LEU 118 13.174 -1.679 -5.365 966 HA LEU 118 HA LEU 118 15.855 -1.335 -6.089 967 HB2 LEU 118 HB2 LEU 118 14.604 -3.543 -4.468 968 HB3 LEU 118 HB3 LEU 118 16.327 -3.289 -4.626 969 HG LEU 118 HG LEU 118 14.320 -1.661 -3.126 970 HD11 LEU 118 HD11 LEU 118 16.026 -1.949 -1.370 971 HD12 LEU 118 HD12 LEU 118 17.010 -2.876 -2.510 972 HD13 LEU 118 HD13 LEU 118 15.433 -3.486 -2.000 973 HD21 LEU 118 HD21 LEU 118 16.024 0.063 -2.797 974 HD22 LEU 118 HD22 LEU 118 15.551 -0.051 -4.491 975 HD23 LEU 118 HD23 LEU 118 17.079 -0.750 -3.953 976 H LEU 119 H LEU 119 13.662 -4.047 -6.659 977 HA LEU 119 HA LEU 119 15.504 -5.717 -7.989 978 HB2 LEU 119 HB2 LEU 119 12.516 -5.522 -7.949 979 HB3 LEU 119 HB3 LEU 119 13.311 -6.638 -9.038 980 HG LEU 119 HG LEU 119 12.548 -7.739 -6.972 981 HD11 LEU 119 HD11 LEU 119 14.475 -8.600 -8.220 982 HD12 LEU 119 HD12 LEU 119 14.598 -8.926 -6.493 983 HD13 LEU 119 HD13 LEU 119 15.548 -7.629 -7.213 984 HD21 LEU 119 HD21 LEU 119 14.555 -5.953 -5.589 985 HD22 LEU 119 HD22 LEU 119 13.718 -7.321 -4.853 986 HD23 LEU 119 HD23 LEU 119 12.802 -5.909 -5.384 987 H ALA 120 H ALA 120 13.543 -3.057 -9.033 988 HA ALA 120 HA ALA 120 13.723 -3.602 -11.834 989 HB1 ALA 120 HB1 ALA 120 13.047 -1.002 -10.474 990 HB2 ALA 120 HB2 ALA 120 11.900 -2.308 -10.768 991 HB3 ALA 120 HB3 ALA 120 12.655 -1.473 -12.129 992 H LEU 121 H LEU 121 15.418 -1.456 -9.587 993 HA LEU 121 HA LEU 121 17.242 -0.441 -11.539 994 HB2 LEU 121 HB2 LEU 121 17.176 -0.485 -8.540 995 HB3 LEU 121 HB3 LEU 121 18.610 0.049 -9.387 996 HG LEU 121 HG LEU 121 17.371 1.870 -10.406 997 HD11 LEU 121 HD11 LEU 121 15.004 0.865 -8.842 998 HD12 LEU 121 HD12 LEU 121 15.185 0.815 -10.596 999 HD13 LEU 121 HD13 LEU 121 15.075 2.368 -9.764 1000 HD21 LEU 121 HD21 LEU 121 16.915 3.148 -8.341 1001 HD22 LEU 121 HD22 LEU 121 18.439 2.261 -8.283 1002 HD23 LEU 121 HD23 LEU 121 17.031 1.642 -7.423 1003 H GLY 122 H GLY 122 16.990 -3.312 -9.689 1004 HA2 GLY 122 HA2 GLY 122 18.286 -5.213 -9.667 1005 HA3 GLY 122 HA3 GLY 122 19.384 -4.442 -10.805 1006 H LEU 123 H LEU 123 18.422 -3.006 -7.780 1007 HA LEU 123 HA LEU 123 21.151 -2.724 -6.934 1008 HB2 LEU 123 HB2 LEU 123 18.498 -2.039 -5.689 1009 HB3 LEU 123 HB3 LEU 123 20.019 -1.781 -4.852 1010 HG LEU 123 HG LEU 123 19.205 -0.503 -7.464 1011 HD11 LEU 123 HD11 LEU 123 19.457 0.644 -4.692 1012 HD12 LEU 123 HD12 LEU 123 17.963 0.401 -5.593 1013 HD13 LEU 123 HD13 LEU 123 19.157 1.571 -6.159 1014 HD21 LEU 123 HD21 LEU 123 21.233 0.873 -7.143 1015 HD22 LEU 123 HD22 LEU 123 21.594 -0.831 -7.412 1016 HD23 LEU 123 HD23 LEU 123 21.686 -0.156 -5.784 1017 H VAL 124 H VAL 124 18.641 -4.936 -6.569 1018 HA VAL 124 HA VAL 124 20.310 -6.644 -4.868 1019 HB VAL 124 HB VAL 124 18.317 -7.378 -3.605 1020 HG11 VAL 124 HG11 VAL 124 18.247 -5.520 -2.085 1021 HG12 VAL 124 HG12 VAL 124 18.794 -4.414 -3.341 1022 HG13 VAL 124 HG13 VAL 124 19.883 -5.656 -2.726 1023 HG21 VAL 124 HG21 VAL 124 16.328 -5.831 -3.656 1024 HG22 VAL 124 HG22 VAL 124 16.550 -6.831 -5.090 1025 HG23 VAL 124 HG23 VAL 124 17.013 -5.131 -5.121 1026 H ALA 125 H ALA 125 19.387 -8.892 -4.845 1027 HA ALA 125 HA ALA 125 18.504 -9.589 -7.551 1028 HB1 ALA 125 HB1 ALA 125 19.273 -11.841 -7.047 1029 HB2 ALA 125 HB2 ALA 125 19.625 -11.370 -5.386 1030 HB3 ALA 125 HB3 ALA 125 20.549 -10.672 -6.716 1031 H GLU 126 H GLU 126 17.504 -9.462 -4.290 1032 HA GLU 126 HA GLU 126 14.799 -10.104 -4.873 1033 HB2 GLU 126 HB2 GLU 126 14.546 -12.115 -3.635 1034 HB3 GLU 126 HB3 GLU 126 15.906 -12.393 -4.721 1035 HG2 GLU 126 HG2 GLU 126 17.463 -12.212 -3.016 1036 HG3 GLU 126 HG3 GLU 126 16.350 -11.378 -1.950 1037 H ARG 127 H ARG 127 13.694 -10.463 -2.522 1038 HA ARG 127 HA ARG 127 14.239 -8.013 -1.183 1039 HB2 ARG 127 HB2 ARG 127 12.232 -10.191 -0.795 1040 HB3 ARG 127 HB3 ARG 127 12.395 -8.893 0.383 1041 HG2 ARG 127 HG2 ARG 127 11.744 -7.261 -1.123 1042 HG3 ARG 127 HG3 ARG 127 12.084 -8.276 -2.526 1043 HD2 ARG 127 HD2 ARG 127 9.695 -8.017 -2.172 1044 HD3 ARG 127 HD3 ARG 127 10.191 -9.693 -1.966 1045 HE ARG 127 HE ARG 127 10.236 -8.596 0.552 1046 HH11 ARG 127 HH11 ARG 127 7.855 -9.017 -1.966 1047 HH12 ARG 127 HH12 ARG 127 6.527 -9.190 -0.864 1048 HH21 ARG 127 HH21 ARG 127 8.487 -8.797 2.019 1049 HH22 ARG 127 HH22 ARG 127 6.885 -9.057 1.410 1050 H ARG 128 H ARG 128 15.222 -11.284 -0.594 1051 HA ARG 128 HA ARG 128 15.892 -11.179 2.101 1052 HB2 ARG 128 HB2 ARG 128 16.106 -13.176 0.649 1053 HB3 ARG 128 HB3 ARG 128 17.507 -12.447 -0.115 1054 HG2 ARG 128 HG2 ARG 128 18.550 -12.395 2.194 1055 HG3 ARG 128 HG3 ARG 128 17.239 -13.469 2.688 1056 HD2 ARG 128 HD2 ARG 128 19.507 -13.970 0.812 1057 HD3 ARG 128 HD3 ARG 128 18.883 -14.983 2.113 1058 HE ARG 128 HE ARG 128 17.241 -14.573 -0.284 1059 HH11 ARG 128 HH11 ARG 128 19.184 -16.729 1.676 1060 HH12 ARG 128 HH12 ARG 128 18.647 -18.155 0.856 1061 HH21 ARG 128 HH21 ARG 128 16.565 -16.416 -1.379 1062 HH22 ARG 128 HH22 ARG 128 17.152 -17.980 -0.901 1063 H GLU 129 H GLU 129 17.553 -9.813 -0.673 1064 HA GLU 129 HA GLU 129 20.055 -9.419 0.608 1065 HB2 GLU 129 HB2 GLU 129 18.896 -8.234 -1.908 1066 HB3 GLU 129 HB3 GLU 129 20.566 -8.055 -1.401 1067 HG2 GLU 129 HG2 GLU 129 19.238 -10.699 -1.917 1068 HG3 GLU 129 HG3 GLU 129 20.186 -9.816 -3.115 1069 H LEU 130 H LEU 130 17.145 -7.657 0.750 1070 HA LEU 130 HA LEU 130 18.527 -5.156 1.313 1071 HB2 LEU 130 HB2 LEU 130 15.869 -4.598 1.666 1072 HB3 LEU 130 HB3 LEU 130 16.789 -4.320 0.204 1073 HG LEU 130 HG LEU 130 15.364 -6.928 0.642 1074 HD11 LEU 130 HD11 LEU 130 13.463 -6.003 -0.588 1075 HD12 LEU 130 HD12 LEU 130 14.213 -4.407 -0.542 1076 HD13 LEU 130 HD13 LEU 130 13.698 -5.185 0.956 1077 HD21 LEU 130 HD21 LEU 130 15.251 -6.726 -1.895 1078 HD22 LEU 130 HD22 LEU 130 16.840 -7.033 -1.193 1079 HD23 LEU 130 HD23 LEU 130 16.403 -5.402 -1.728 1080 H TYR 131 H TYR 131 17.769 -7.808 2.959 1081 HA TYR 131 HA TYR 131 17.684 -6.315 5.495 1082 HB2 TYR 131 HB2 TYR 131 16.475 -9.058 5.037 1083 HB3 TYR 131 HB3 TYR 131 16.399 -8.105 6.514 1084 HD1 TYR 131 HD1 TYR 131 14.792 -8.894 3.445 1085 HD2 TYR 131 HD2 TYR 131 15.150 -5.837 6.382 1086 HE1 TYR 131 HE1 TYR 131 12.690 -7.897 2.646 1087 HE2 TYR 131 HE2 TYR 131 13.045 -4.832 5.595 1088 HH TYR 131 HH TYR 131 11.698 -4.796 3.500 1089 H LYS 132 H LYS 132 19.883 -6.367 5.860 1090 HA LYS 132 HA LYS 132 21.407 -8.552 4.820 1091 HB2 LYS 132 HB2 LYS 132 23.374 -7.297 5.547 1092 HB3 LYS 132 HB3 LYS 132 22.261 -6.293 4.634 1093 HG2 LYS 132 HG2 LYS 132 21.602 -5.095 6.518 1094 HG3 LYS 132 HG3 LYS 132 22.204 -6.326 7.626 1095 HD2 LYS 132 HD2 LYS 132 23.968 -4.663 5.834 1096 HD3 LYS 132 HD3 LYS 132 23.593 -4.244 7.505 1097 HE2 LYS 132 HE2 LYS 132 24.553 -6.430 8.203 1098 HE3 LYS 132 HE3 LYS 132 25.033 -6.710 6.530 1099 HZ1 LYS 132 HZ1 LYS 132 26.377 -4.683 6.641 1100 HZ2 LYS 132 HZ2 LYS 132 26.870 -5.822 7.786 1101 HZ3 LYS 132 HZ3 LYS 132 25.955 -4.484 8.268 1102 H LYS 133 H LYS 133 19.927 -9.846 6.664 1103 HA LYS 133 HA LYS 133 22.299 -10.865 7.990 1104 HB2 LYS 133 HB2 LYS 133 21.005 -11.510 10.011 1105 HB3 LYS 133 HB3 LYS 133 21.331 -9.786 9.851 1106 HG2 LYS 133 HG2 LYS 133 18.996 -9.606 8.842 1107 HG3 LYS 133 HG3 LYS 133 18.733 -11.239 9.455 1108 HD2 LYS 133 HD2 LYS 133 19.267 -10.462 11.720 1109 HD3 LYS 133 HD3 LYS 133 19.501 -8.826 11.098 1110 HE2 LYS 133 HE2 LYS 133 17.129 -8.940 10.248 1111 HE3 LYS 133 HE3 LYS 133 16.955 -10.431 11.173 1112 HZ1 LYS 133 HZ1 LYS 133 16.139 -8.681 12.504 1113 HZ2 LYS 133 HZ2 LYS 133 17.490 -7.705 12.211 1114 HZ3 LYS 133 HZ3 LYS 133 17.637 -9.102 13.160 1115 H ARG 134 H ARG 134 21.742 -11.936 5.837 1116 HA ARG 134 HA ARG 134 21.392 -14.618 6.898 1117 HB2 ARG 134 HB2 ARG 134 20.212 -13.644 4.281 1118 HB3 ARG 134 HB3 ARG 134 20.629 -15.329 4.535 1119 HG2 ARG 134 HG2 ARG 134 18.369 -15.287 4.979 1120 HG3 ARG 134 HG3 ARG 134 19.072 -15.161 6.592 1121 HD2 ARG 134 HD2 ARG 134 18.760 -12.752 6.552 1122 HD3 ARG 134 HD3 ARG 134 18.087 -12.854 4.923 1123 HE ARG 134 HE ARG 134 16.806 -14.191 7.222 1124 HH11 ARG 134 HH11 ARG 134 16.646 -12.032 4.471 1125 HH12 ARG 134 HH12 ARG 134 14.919 -11.900 4.512 1126 HH21 ARG 134 HH21 ARG 134 14.536 -14.003 7.298 1127 HH22 ARG 134 HH22 ARG 134 13.717 -13.017 6.128 1128 H GLN 135 H GLN 135 23.614 -13.952 7.141 1129 HA GLN 135 HA GLN 135 25.074 -14.105 4.575 1130 HB2 GLN 135 HB2 GLN 135 25.833 -12.705 7.137 1131 HB3 GLN 135 HB3 GLN 135 26.922 -12.910 5.774 1132 HG2 GLN 135 HG2 GLN 135 24.298 -11.429 5.724 1133 HG3 GLN 135 HG3 GLN 135 25.900 -10.697 5.786 1134 HE21 GLN 135 HE21 GLN 135 23.759 -10.448 3.781 1135 HE22 GLN 135 HE22 GLN 135 24.466 -10.906 2.273 1136 H LYS 136 H LYS 136 25.167 -16.307 4.549 1137 HA LYS 136 HA LYS 136 27.195 -17.449 6.323 1138 HB2 LYS 136 HB2 LYS 136 24.598 -18.805 5.549 1139 HB3 LYS 136 HB3 LYS 136 25.901 -19.545 6.474 1140 HG2 LYS 136 HG2 LYS 136 25.562 -18.068 8.300 1141 HG3 LYS 136 HG3 LYS 136 24.467 -17.061 7.360 1142 HD2 LYS 136 HD2 LYS 136 22.911 -19.018 7.236 1143 HD3 LYS 136 HD3 LYS 136 23.975 -19.851 8.375 1144 HE2 LYS 136 HE2 LYS 136 23.674 -18.035 9.984 1145 HE3 LYS 136 HE3 LYS 136 22.618 -17.202 8.847 1146 HZ1 LYS 136 HZ1 LYS 136 22.087 -19.849 10.082 1147 HZ2 LYS 136 HZ2 LYS 136 21.072 -19.051 8.991 1148 HZ3 LYS 136 HZ3 LYS 136 21.358 -18.389 10.519 1149 H LYS 137 H LYS 137 27.557 -19.858 5.239 1150 HA LYS 137 HA LYS 137 28.767 -19.270 2.747 1151 HB2 LYS 137 HB2 LYS 137 29.666 -21.460 2.812 1152 HB3 LYS 137 HB3 LYS 137 29.591 -20.927 4.480 1153 HG2 LYS 137 HG2 LYS 137 27.579 -22.746 3.168 1154 HG3 LYS 137 HG3 LYS 137 28.937 -23.293 4.149 1155 HD2 LYS 137 HD2 LYS 137 27.858 -22.837 6.064 1156 HD3 LYS 137 HD3 LYS 137 27.233 -21.307 5.459 1157 HE2 LYS 137 HE2 LYS 137 25.410 -22.844 5.923 1158 HE3 LYS 137 HE3 LYS 137 25.511 -22.499 4.191 1159 HZ1 LYS 137 HZ1 LYS 137 26.592 -24.928 5.530 1160 HZ2 LYS 137 HZ2 LYS 137 26.631 -24.606 3.870 1161 HZ3 LYS 137 HZ3 LYS 137 25.152 -24.855 4.647 1162 H LEU 138 H LEU 138 26.944 -18.553 1.493 1163 HA LEU 138 HA LEU 138 25.878 -20.792 -0.008 1164 HB2 LEU 138 HB2 LEU 138 23.631 -19.663 -0.149 1165 HB3 LEU 138 HB3 LEU 138 24.033 -20.491 1.348 1166 HG LEU 138 HG LEU 138 24.721 -17.645 1.380 1167 HD11 LEU 138 HD11 LEU 138 22.405 -16.890 1.568 1168 HD12 LEU 138 HD12 LEU 138 21.845 -18.508 1.139 1169 HD13 LEU 138 HD13 LEU 138 22.740 -17.547 -0.036 1170 HD21 LEU 138 HD21 LEU 138 22.973 -19.331 3.170 1171 HD22 LEU 138 HD22 LEU 138 23.757 -17.804 3.573 1172 HD23 LEU 138 HD23 LEU 138 24.732 -19.254 3.302 1173 H ALA 139 H ALA 139 24.809 -20.031 -2.067 1174 HA ALA 139 HA ALA 139 26.579 -18.194 -3.395 1175 HB1 ALA 139 HB1 ALA 139 25.789 -20.206 -4.534 1176 HB2 ALA 139 HB2 ALA 139 25.284 -18.757 -5.404 1177 HB3 ALA 139 HB3 ALA 139 24.125 -19.635 -4.407 1178 H SER 140 H SER 140 25.165 -16.750 -5.126 1179 HA SER 140 HA SER 140 24.124 -14.623 -3.624 1180 HB2 SER 140 HB2 SER 140 23.296 -13.817 -5.899 1181 HB3 SER 140 HB3 SER 140 25.028 -14.122 -5.763 1182 HG SER 140 HG SER 140 23.085 -15.877 -6.874 1183 H SER 141 H SER 141 22.079 -13.981 -3.149 1184 HA SER 141 HA SER 141 20.165 -15.938 -2.656 1185 HB2 SER 141 HB2 SER 141 19.807 -12.940 -2.795 1186 HB3 SER 141 HB3 SER 141 18.732 -14.074 -1.977 1187 HG SER 141 HG SER 141 20.781 -12.872 -0.915 Start of MODEL 8 1 H1 ASP 1 HT1 ASP 1 -29.985 8.063 -9.711 2 H2 ASP 1 HT2 ASP 1 -31.510 8.731 -9.972 3 H3 ASP 1 HT3 ASP 1 -31.346 7.379 -8.977 4 HA ASP 1 HA ASP 1 -30.351 10.107 -8.474 5 HB2 ASP 1 HB2 ASP 1 -32.772 9.769 -8.088 6 HB3 ASP 1 HB3 ASP 1 -32.389 8.490 -6.939 7 HA PRO 2 HA PRO 2 -28.848 7.303 -4.780 8 HB2 PRO 2 HB2 PRO 2 -28.657 4.622 -5.986 9 HB3 PRO 2 HB3 PRO 2 -29.317 5.109 -4.424 10 HG2 PRO 2 HG2 PRO 2 -30.914 4.320 -6.414 11 HG3 PRO 2 HG3 PRO 2 -31.392 5.627 -5.313 12 HD2 PRO 2 HD2 PRO 2 -30.278 5.806 -8.093 13 HD3 PRO 2 HD3 PRO 2 -31.625 6.702 -7.360 14 H SER 3 H SER 3 -27.536 8.285 -7.338 15 HA SER 3 HA SER 3 -24.886 7.361 -6.574 16 HB2 SER 3 HB2 SER 3 -25.726 5.943 -8.525 17 HB3 SER 3 HB3 SER 3 -25.669 7.413 -9.490 18 HG SER 3 HG SER 3 -23.522 6.082 -8.210 19 H ARG 4 H ARG 4 -26.599 9.779 -6.381 20 HA ARG 4 HA ARG 4 -25.178 11.756 -7.972 21 HB2 ARG 4 HB2 ARG 4 -27.399 11.982 -5.937 22 HB3 ARG 4 HB3 ARG 4 -26.664 13.369 -6.721 23 HG2 ARG 4 HG2 ARG 4 -28.114 11.137 -8.125 24 HG3 ARG 4 HG3 ARG 4 -28.782 12.726 -7.758 25 HD2 ARG 4 HD2 ARG 4 -28.114 12.883 -9.995 26 HD3 ARG 4 HD3 ARG 4 -26.816 13.665 -9.099 27 HE ARG 4 HE ARG 4 -26.200 10.942 -9.454 28 HH11 ARG 4 HH11 ARG 4 -26.428 13.921 -11.265 29 HH12 ARG 4 HH12 ARG 4 -25.299 13.424 -12.482 30 HH21 ARG 4 HH21 ARG 4 -24.695 10.274 -11.059 31 HH22 ARG 4 HH22 ARG 4 -24.304 11.357 -12.357 32 H ARG 5 H ARG 5 -25.060 13.870 -6.166 33 HA ARG 5 HA ARG 5 -22.621 13.752 -4.987 34 HB2 ARG 5 HB2 ARG 5 -23.809 15.840 -5.173 35 HB3 ARG 5 HB3 ARG 5 -25.062 15.281 -4.077 36 HG2 ARG 5 HG2 ARG 5 -23.560 16.867 -2.997 37 HG3 ARG 5 HG3 ARG 5 -23.483 15.280 -2.232 38 HD2 ARG 5 HD2 ARG 5 -21.264 16.288 -2.493 39 HD3 ARG 5 HD3 ARG 5 -21.419 14.787 -3.406 40 HE ARG 5 HE ARG 5 -21.908 17.278 -4.837 41 HH11 ARG 5 HH11 ARG 5 -19.689 14.681 -4.086 42 HH12 ARG 5 HH12 ARG 5 -18.702 14.952 -5.484 43 HH21 ARG 5 HH21 ARG 5 -20.606 17.637 -6.674 44 HH22 ARG 5 HH22 ARG 5 -19.218 16.640 -6.951 45 H ALA 6 H ALA 6 -21.809 12.374 -3.601 46 HA ALA 6 HA ALA 6 -23.418 10.727 -1.948 47 HB1 ALA 6 HB1 ALA 6 -21.317 9.808 -1.139 48 HB2 ALA 6 HB2 ALA 6 -20.433 11.085 -1.975 49 HB3 ALA 6 HB3 ALA 6 -21.354 9.899 -2.900 50 HA PRO 7 HA PRO 7 -23.091 13.093 1.816 51 HB2 PRO 7 HB2 PRO 7 -24.419 11.469 3.402 52 HB3 PRO 7 HB3 PRO 7 -25.232 12.174 1.997 53 HG2 PRO 7 HG2 PRO 7 -24.075 9.432 2.313 54 HG3 PRO 7 HG3 PRO 7 -25.635 9.910 1.616 55 HD2 PRO 7 HD2 PRO 7 -23.316 9.411 0.163 56 HD3 PRO 7 HD3 PRO 7 -24.705 10.348 -0.420 57 H THR 8 H THR 8 -22.540 12.429 4.207 58 HA THR 8 HA THR 8 -20.026 10.961 4.105 59 HB THR 8 HB THR 8 -19.873 11.860 6.532 60 HG1 THR 8 HG1 THR 8 -21.767 13.715 5.486 61 HG21 THR 8 HG21 THR 8 -19.813 13.729 4.166 62 HG22 THR 8 HG22 THR 8 -18.504 12.668 4.688 63 HG23 THR 8 HG23 THR 8 -19.019 14.006 5.714 64 H TRP 9 H TRP 9 -19.608 9.157 5.283 65 HA TRP 9 HA TRP 9 -21.863 7.557 6.018 66 HB2 TRP 9 HB2 TRP 9 -18.887 7.074 6.236 67 HB3 TRP 9 HB3 TRP 9 -20.106 5.883 6.663 68 HD1 TRP 9 HD1 TRP 9 -19.325 8.017 3.491 69 HE1 TRP 9 HE1 TRP 9 -19.599 6.493 1.433 70 HE3 TRP 9 HE3 TRP 9 -20.765 3.721 5.858 71 HZ2 TRP 9 HZ2 TRP 9 -20.321 3.819 0.894 72 HZ3 TRP 9 HZ3 TRP 9 -21.230 1.725 4.494 73 HH2 TRP 9 HH2 TRP 9 -21.014 1.777 2.062 74 H SER 10 H SER 10 -21.883 6.378 8.120 75 HA SER 10 HA SER 10 -20.861 7.963 10.359 76 HB2 SER 10 HB2 SER 10 -23.709 6.945 10.113 77 HB3 SER 10 HB3 SER 10 -23.027 7.774 11.516 78 HG SER 10 HG SER 10 -22.530 9.277 9.399 79 HA PRO 11 HA PRO 11 -19.243 4.382 12.227 80 HB2 PRO 11 HB2 PRO 11 -21.229 4.816 14.431 81 HB3 PRO 11 HB3 PRO 11 -19.503 4.442 14.535 82 HG2 PRO 11 HG2 PRO 11 -20.364 6.937 14.875 83 HG3 PRO 11 HG3 PRO 11 -18.867 6.607 13.984 84 HD2 PRO 11 HD2 PRO 11 -21.514 7.482 12.973 85 HD3 PRO 11 HD3 PRO 11 -19.897 7.752 12.297 86 H GLU 12 H GLU 12 -22.783 4.492 12.659 87 HA GLU 12 HA GLU 12 -23.222 1.751 12.933 88 HB2 GLU 12 HB2 GLU 12 -25.129 3.607 11.513 89 HB3 GLU 12 HB3 GLU 12 -25.516 2.160 12.430 90 HG2 GLU 12 HG2 GLU 12 -26.148 3.848 13.858 91 HG3 GLU 12 HG3 GLU 12 -24.528 3.460 14.436 92 H GLU 13 H GLU 13 -23.269 3.742 10.004 93 HA GLU 13 HA GLU 13 -23.941 1.528 8.313 94 HB2 GLU 13 HB2 GLU 13 -24.479 4.034 7.969 95 HB3 GLU 13 HB3 GLU 13 -22.839 4.154 7.344 96 HG2 GLU 13 HG2 GLU 13 -24.374 3.878 5.520 97 HG3 GLU 13 HG3 GLU 13 -23.382 2.427 5.671 98 H GLU 14 H GLU 14 -21.004 3.190 9.263 99 HA GLU 14 HA GLU 14 -19.305 1.958 7.331 100 HB2 GLU 14 HB2 GLU 14 -18.612 3.117 10.045 101 HB3 GLU 14 HB3 GLU 14 -17.468 2.750 8.760 102 HG2 GLU 14 HG2 GLU 14 -18.517 4.411 7.329 103 HG3 GLU 14 HG3 GLU 14 -19.702 4.759 8.586 104 H ALA 15 H ALA 15 -20.378 1.133 10.588 105 HA ALA 15 HA ALA 15 -18.814 -1.204 10.911 106 HB1 ALA 15 HB1 ALA 15 -20.480 -1.821 12.618 107 HB2 ALA 15 HB2 ALA 15 -21.517 -0.505 12.067 108 HB3 ALA 15 HB3 ALA 15 -19.947 -0.150 12.790 109 H HIS 16 H HIS 16 -21.858 -0.534 9.375 110 HA HIS 16 HA HIS 16 -22.533 -3.206 8.711 111 HB2 HIS 16 HB2 HIS 16 -24.213 -1.412 8.870 112 HB3 HIS 16 HB3 HIS 16 -23.466 -0.592 7.506 113 HD1 HIS 16 HD1 HIS 16 -25.487 -0.727 5.993 114 HD2 HIS 16 HD2 HIS 16 -24.213 -4.434 7.379 115 HE1 HIS 16 HE1 HIS 16 -26.727 -2.452 4.621 116 HE2 HIS 16 HE2 HIS 16 -25.883 -4.676 5.430 117 H LEU 17 H LEU 17 -20.586 -0.701 7.274 118 HA LEU 17 HA LEU 17 -20.364 -1.815 4.687 119 HB2 LEU 17 HB2 LEU 17 -19.732 0.510 5.322 120 HB3 LEU 17 HB3 LEU 17 -18.342 -0.137 6.170 121 HG LEU 17 HG LEU 17 -17.454 -1.008 4.052 122 HD11 LEU 17 HD11 LEU 17 -19.885 0.303 2.858 123 HD12 LEU 17 HD12 LEU 17 -19.473 -1.411 2.825 124 HD13 LEU 17 HD13 LEU 17 -18.492 -0.249 1.935 125 HD21 LEU 17 HD21 LEU 17 -16.929 1.163 3.022 126 HD22 LEU 17 HD22 LEU 17 -16.743 1.176 4.776 127 HD23 LEU 17 HD23 LEU 17 -18.161 1.919 4.033 128 H ARG 18 H ARG 18 -18.334 -2.103 7.596 129 HA ARG 18 HA ARG 18 -16.611 -4.062 6.432 130 HB2 ARG 18 HB2 ARG 18 -15.682 -4.343 8.634 131 HB3 ARG 18 HB3 ARG 18 -15.969 -2.625 8.395 132 HG2 ARG 18 HG2 ARG 18 -17.979 -2.745 9.733 133 HG3 ARG 18 HG3 ARG 18 -17.782 -4.487 9.909 134 HD2 ARG 18 HD2 ARG 18 -15.615 -4.060 11.056 135 HD3 ARG 18 HD3 ARG 18 -15.969 -2.332 10.985 136 HE ARG 18 HE ARG 18 -18.160 -3.612 12.152 137 HH11 ARG 18 HH11 ARG 18 -14.800 -2.966 12.900 138 HH12 ARG 18 HH12 ARG 18 -15.050 -3.002 14.616 139 HH21 ARG 18 HH21 ARG 18 -18.484 -3.674 14.402 140 HH22 ARG 18 HH22 ARG 18 -17.143 -3.410 15.474 141 H GLU 19 H GLU 19 -19.635 -3.996 8.084 142 HA GLU 19 HA GLU 19 -19.919 -6.552 9.032 143 HB2 GLU 19 HB2 GLU 19 -21.538 -4.736 9.377 144 HB3 GLU 19 HB3 GLU 19 -22.025 -4.863 7.694 145 HG2 GLU 19 HG2 GLU 19 -23.667 -5.970 8.935 146 HG3 GLU 19 HG3 GLU 19 -22.687 -7.226 8.188 147 H LEU 20 H LEU 20 -20.745 -5.302 5.833 148 HA LEU 20 HA LEU 20 -21.470 -7.857 4.778 149 HB2 LEU 20 HB2 LEU 20 -21.749 -5.146 4.051 150 HB3 LEU 20 HB3 LEU 20 -20.881 -5.928 2.743 151 HG LEU 20 HG LEU 20 -23.443 -7.064 3.829 152 HD11 LEU 20 HD11 LEU 20 -23.821 -4.736 3.113 153 HD12 LEU 20 HD12 LEU 20 -24.636 -5.911 2.084 154 HD13 LEU 20 HD13 LEU 20 -23.150 -5.138 1.534 155 HD21 LEU 20 HD21 LEU 20 -22.012 -7.335 1.190 156 HD22 LEU 20 HD22 LEU 20 -23.534 -8.112 1.623 157 HD23 LEU 20 HD23 LEU 20 -22.050 -8.541 2.475 158 H TYR 21 H TYR 21 -18.544 -5.996 4.953 159 HA TYR 21 HA TYR 21 -17.169 -7.327 2.842 160 HB2 TYR 21 HB2 TYR 21 -16.340 -5.177 3.499 161 HB3 TYR 21 HB3 TYR 21 -16.204 -5.677 5.181 162 HD1 TYR 21 HD1 TYR 21 -14.932 -6.855 1.856 163 HD2 TYR 21 HD2 TYR 21 -14.069 -6.033 5.937 164 HE1 TYR 21 HE1 TYR 21 -12.596 -7.532 1.491 165 HE2 TYR 21 HE2 TYR 21 -11.730 -6.705 5.584 166 HH TYR 21 HH TYR 21 -10.479 -7.447 2.375 167 H LEU 22 H LEU 22 -17.145 -7.624 6.367 168 HA LEU 22 HA LEU 22 -15.280 -9.731 6.491 169 HB2 LEU 22 HB2 LEU 22 -17.499 -9.143 8.452 170 HB3 LEU 22 HB3 LEU 22 -16.013 -10.008 8.776 171 HG LEU 22 HG LEU 22 -16.270 -7.071 8.152 172 HD11 LEU 22 HD11 LEU 22 -16.980 -7.660 10.400 173 HD12 LEU 22 HD12 LEU 22 -15.469 -6.751 10.428 174 HD13 LEU 22 HD13 LEU 22 -15.453 -8.497 10.674 175 HD21 LEU 22 HD21 LEU 22 -13.776 -8.661 8.741 176 HD22 LEU 22 HD22 LEU 22 -13.883 -6.913 8.517 177 HD23 LEU 22 HD23 LEU 22 -14.227 -7.995 7.170 178 H ALA 23 H ALA 23 -18.655 -9.623 5.807 179 HA ALA 23 HA ALA 23 -19.270 -12.342 6.318 180 HB1 ALA 23 HB1 ALA 23 -20.633 -10.365 4.492 181 HB2 ALA 23 HB2 ALA 23 -20.999 -10.623 6.197 182 HB3 ALA 23 HB3 ALA 23 -21.304 -11.905 5.025 183 H ASN 24 H ASN 24 -18.564 -10.591 3.266 184 HA ASN 24 HA ASN 24 -18.621 -13.153 1.879 185 HB2 ASN 24 HB2 ASN 24 -18.686 -10.307 0.893 186 HB3 ASN 24 HB3 ASN 24 -18.554 -11.692 -0.186 187 HD21 ASN 24 HD21 ASN 24 -20.602 -9.937 1.994 188 HD22 ASN 24 HD22 ASN 24 -22.083 -10.714 1.548 189 H LYS 25 H LYS 25 -16.238 -11.460 3.375 190 HA LYS 25 HA LYS 25 -14.241 -11.612 1.311 191 HB2 LYS 25 HB2 LYS 25 -12.633 -10.964 2.989 192 HB3 LYS 25 HB3 LYS 25 -14.062 -9.957 3.138 193 HG2 LYS 25 HG2 LYS 25 -14.805 -11.285 5.048 194 HG3 LYS 25 HG3 LYS 25 -13.372 -12.303 4.897 195 HD2 LYS 25 HD2 LYS 25 -13.379 -9.331 5.465 196 HD3 LYS 25 HD3 LYS 25 -13.096 -10.605 6.653 197 HE2 LYS 25 HE2 LYS 25 -11.118 -11.328 5.353 198 HE3 LYS 25 HE3 LYS 25 -11.390 -9.993 4.239 199 HZ1 LYS 25 HZ1 LYS 25 -9.691 -9.482 5.883 200 HZ2 LYS 25 HZ2 LYS 25 -10.802 -9.703 7.135 201 HZ3 LYS 25 HZ3 LYS 25 -11.012 -8.441 6.031 202 H ASP 26 H ASP 26 -15.694 -13.844 3.336 203 HA ASP 26 HA ASP 26 -13.434 -15.695 3.364 204 HB2 ASP 26 HB2 ASP 26 -14.815 -15.424 5.398 205 HB3 ASP 26 HB3 ASP 26 -16.231 -15.967 4.506 206 H VAL 27 H VAL 27 -15.317 -14.767 1.037 207 HA VAL 27 HA VAL 27 -16.146 -17.437 0.134 208 HB VAL 27 HB VAL 27 -17.122 -14.775 -0.910 209 HG11 VAL 27 HG11 VAL 27 -18.872 -16.095 -1.979 210 HG12 VAL 27 HG12 VAL 27 -18.167 -17.576 -1.330 211 HG13 VAL 27 HG13 VAL 27 -17.274 -16.619 -2.512 212 HG21 VAL 27 HG21 VAL 27 -18.442 -16.655 1.041 213 HG22 VAL 27 HG22 VAL 27 -19.192 -15.231 0.323 214 HG23 VAL 27 HG23 VAL 27 -17.809 -15.051 1.403 215 H GLU 28 H GLU 28 -14.574 -18.271 -1.052 216 HA GLU 28 HA GLU 28 -12.890 -16.683 -2.755 217 HB2 GLU 28 HB2 GLU 28 -13.169 -19.690 -2.593 218 HB3 GLU 28 HB3 GLU 28 -11.859 -18.806 -3.364 219 HG2 GLU 28 HG2 GLU 28 -11.145 -17.935 -1.228 220 HG3 GLU 28 HG3 GLU 28 -12.501 -18.727 -0.422 221 H GLY 29 H GLY 29 -12.834 -16.746 -5.035 222 HA2 GLY 29 HA2 GLY 29 -13.639 -17.155 -7.176 223 HA3 GLY 29 HA3 GLY 29 -14.869 -18.204 -6.489 224 H GLN 30 H GLN 30 -14.799 -15.292 -4.861 225 HA GLN 30 HA GLN 30 -16.851 -14.116 -6.598 226 HB2 GLN 30 HB2 GLN 30 -18.104 -15.190 -4.871 227 HB3 GLN 30 HB3 GLN 30 -17.023 -14.588 -3.620 228 HG2 GLN 30 HG2 GLN 30 -17.747 -12.279 -4.233 229 HG3 GLN 30 HG3 GLN 30 -18.960 -13.004 -5.281 230 HE21 GLN 30 HE21 GLN 30 -19.019 -11.336 -2.803 231 HE22 GLN 30 HE22 GLN 30 -20.123 -12.156 -1.776 232 H ASP 31 H ASP 31 -17.058 -11.872 -6.488 233 HA ASP 31 HA ASP 31 -14.787 -10.391 -5.452 234 HB2 ASP 31 HB2 ASP 31 -17.289 -9.514 -6.898 235 HB3 ASP 31 HB3 ASP 31 -15.956 -8.441 -6.466 236 H VAL 32 H VAL 32 -14.793 -9.818 -3.357 237 HA VAL 32 HA VAL 32 -17.126 -9.774 -1.768 238 HB VAL 32 HB VAL 32 -14.785 -10.072 -0.898 239 HG11 VAL 32 HG11 VAL 32 -13.677 -8.273 -2.074 240 HG12 VAL 32 HG12 VAL 32 -13.509 -8.053 -0.332 241 HG13 VAL 32 HG13 VAL 32 -14.674 -7.080 -1.237 242 HG21 VAL 32 HG21 VAL 32 -16.517 -7.977 0.399 243 HG22 VAL 32 HG22 VAL 32 -15.205 -8.839 1.200 244 HG23 VAL 32 HG23 VAL 32 -16.617 -9.722 0.623 245 H VAL 33 H VAL 33 -15.437 -7.320 -3.612 246 HA VAL 33 HA VAL 33 -16.558 -5.039 -2.481 247 HB VAL 33 HB VAL 33 -14.745 -4.611 -3.865 248 HG11 VAL 33 HG11 VAL 33 -14.571 -5.269 -6.209 249 HG12 VAL 33 HG12 VAL 33 -16.093 -6.147 -6.057 250 HG13 VAL 33 HG13 VAL 33 -14.685 -6.646 -5.116 251 HG21 VAL 33 HG21 VAL 33 -15.524 -3.150 -5.662 252 HG22 VAL 33 HG22 VAL 33 -16.421 -2.906 -4.163 253 HG23 VAL 33 HG23 VAL 33 -17.145 -3.821 -5.486 254 H GLU 34 H GLU 34 -17.732 -6.891 -5.324 255 HA GLU 34 HA GLU 34 -19.953 -5.197 -5.749 256 HB2 GLU 34 HB2 GLU 34 -19.142 -7.873 -6.752 257 HB3 GLU 34 HB3 GLU 34 -20.834 -7.418 -6.920 258 HG2 GLU 34 HG2 GLU 34 -20.094 -5.333 -8.043 259 HG3 GLU 34 HG3 GLU 34 -18.444 -5.960 -8.014 260 H ALA 35 H ALA 35 -19.460 -7.951 -3.677 261 HA ALA 35 HA ALA 35 -22.159 -8.482 -3.062 262 HB1 ALA 35 HB1 ALA 35 -19.706 -8.823 -1.334 263 HB2 ALA 35 HB2 ALA 35 -20.369 -10.017 -2.454 264 HB3 ALA 35 HB3 ALA 35 -21.290 -9.538 -1.028 265 H ILE 36 H ILE 36 -19.760 -6.337 -1.620 266 HA ILE 36 HA ILE 36 -21.433 -5.468 0.507 267 HB ILE 36 HB ILE 36 -19.029 -4.050 -0.635 268 HG12 ILE 36 HG12 ILE 36 -19.015 -5.974 1.678 269 HG13 ILE 36 HG13 ILE 36 -18.730 -6.518 0.027 270 HG21 ILE 36 HG21 ILE 36 -18.830 -3.164 1.658 271 HG22 ILE 36 HG22 ILE 36 -20.342 -3.967 2.079 272 HG23 ILE 36 HG23 ILE 36 -20.333 -2.684 0.871 273 HD11 ILE 36 HD11 ILE 36 -17.115 -4.463 1.505 274 HD12 ILE 36 HD12 ILE 36 -16.817 -5.029 -0.135 275 HD13 ILE 36 HD13 ILE 36 -16.652 -6.137 1.227 276 H LEU 37 H LEU 37 -20.233 -3.742 -2.381 277 HA LEU 37 HA LEU 37 -21.632 -1.391 -1.830 278 HB2 LEU 37 HB2 LEU 37 -21.223 -0.821 -4.245 279 HB3 LEU 37 HB3 LEU 37 -19.819 -1.191 -3.273 280 HG LEU 37 HG LEU 37 -19.895 -3.527 -4.302 281 HD11 LEU 37 HD11 LEU 37 -21.736 -2.087 -6.219 282 HD12 LEU 37 HD12 LEU 37 -22.142 -3.483 -5.221 283 HD13 LEU 37 HD13 LEU 37 -20.966 -3.643 -6.527 284 HD21 LEU 37 HD21 LEU 37 -19.330 -1.106 -5.992 285 HD22 LEU 37 HD22 LEU 37 -18.758 -2.735 -6.334 286 HD23 LEU 37 HD23 LEU 37 -18.226 -1.901 -4.875 287 H ALA 38 H ALA 38 -22.757 -4.261 -3.336 288 HA ALA 38 HA ALA 38 -25.025 -2.947 -4.572 289 HB1 ALA 38 HB1 ALA 38 -23.848 -4.772 -5.711 290 HB2 ALA 38 HB2 ALA 38 -25.557 -5.135 -5.455 291 HB3 ALA 38 HB3 ALA 38 -24.333 -5.868 -4.418 292 H HIS 39 H HIS 39 -24.416 -5.146 -1.837 293 HA HIS 39 HA HIS 39 -27.222 -5.528 -1.373 294 HB2 HIS 39 HB2 HIS 39 -24.768 -6.348 0.149 295 HB3 HIS 39 HB3 HIS 39 -26.369 -6.536 0.850 296 HD1 HIS 39 HD1 HIS 39 -27.813 -8.461 -0.012 297 HD2 HIS 39 HD2 HIS 39 -24.229 -8.024 -2.065 298 HE1 HIS 39 HE1 HIS 39 -27.582 -10.534 -1.416 299 HE2 HIS 39 HE2 HIS 39 -25.292 -10.347 -2.455 300 H LEU 40 H LEU 40 -24.752 -3.354 -0.068 301 HA LEU 40 HA LEU 40 -26.927 -2.172 1.491 302 HB2 LEU 40 HB2 LEU 40 -25.021 -0.689 2.443 303 HB3 LEU 40 HB3 LEU 40 -25.276 -2.307 3.043 304 HG LEU 40 HG LEU 40 -23.396 -3.022 1.464 305 HD11 LEU 40 HD11 LEU 40 -22.970 -0.044 1.423 306 HD12 LEU 40 HD12 LEU 40 -23.245 -1.106 0.038 307 HD13 LEU 40 HD13 LEU 40 -21.753 -1.237 0.969 308 HD21 LEU 40 HD21 LEU 40 -22.786 -1.165 3.756 309 HD22 LEU 40 HD22 LEU 40 -21.690 -2.370 3.076 310 HD23 LEU 40 HD23 LEU 40 -23.172 -2.881 3.886 311 H ASN 41 H ASN 41 -27.956 -1.395 -0.335 312 HA ASN 41 HA ASN 41 -26.692 0.786 -1.791 313 HB2 ASN 41 HB2 ASN 41 -28.975 0.861 -2.950 314 HB3 ASN 41 HB3 ASN 41 -28.011 -0.592 -3.195 315 HD21 ASN 41 HD21 ASN 41 -28.674 -2.521 -2.318 316 HD22 ASN 41 HD22 ASN 41 -30.262 -2.755 -1.671 317 H THR 42 H THR 42 -26.870 1.178 0.885 318 HA THR 42 HA THR 42 -29.182 2.809 1.511 319 HB THR 42 HB THR 42 -28.489 1.353 3.267 320 HG1 THR 42 HG1 THR 42 -27.580 3.030 4.847 321 HG21 THR 42 HG21 THR 42 -25.719 2.528 2.992 322 HG22 THR 42 HG22 THR 42 -26.213 0.900 2.519 323 HG23 THR 42 HG23 THR 42 -26.221 1.362 4.219 324 H VAL 43 H VAL 43 -25.835 3.171 0.615 325 HA VAL 43 HA VAL 43 -26.038 6.085 1.028 326 HB VAL 43 HB VAL 43 -23.387 4.982 0.404 327 HG11 VAL 43 HG11 VAL 43 -24.340 6.852 2.546 328 HG12 VAL 43 HG12 VAL 43 -23.747 7.315 0.949 329 HG13 VAL 43 HG13 VAL 43 -22.660 6.541 2.103 330 HG21 VAL 43 HG21 VAL 43 -24.139 3.190 1.851 331 HG22 VAL 43 HG22 VAL 43 -24.590 4.365 3.089 332 HG23 VAL 43 HG23 VAL 43 -22.895 4.165 2.632 333 HA PRO 44 HA PRO 44 -25.701 6.099 -3.492 334 HB2 PRO 44 HB2 PRO 44 -25.988 8.781 -3.815 335 HB3 PRO 44 HB3 PRO 44 -27.358 7.698 -3.559 336 HG2 PRO 44 HG2 PRO 44 -26.020 9.541 -1.650 337 HG3 PRO 44 HG3 PRO 44 -27.729 9.098 -1.774 338 HD2 PRO 44 HD2 PRO 44 -25.948 8.067 0.079 339 HD3 PRO 44 HD3 PRO 44 -27.469 7.294 -0.407 340 H ARG 45 H ARG 45 -23.597 5.602 -3.873 341 HA ARG 45 HA ARG 45 -21.671 7.780 -3.858 342 HB2 ARG 45 HB2 ARG 45 -19.997 6.617 -2.585 343 HB3 ARG 45 HB3 ARG 45 -21.464 6.679 -1.618 344 HG2 ARG 45 HG2 ARG 45 -21.235 4.268 -3.255 345 HG3 ARG 45 HG3 ARG 45 -19.956 4.457 -2.061 346 HD2 ARG 45 HD2 ARG 45 -21.570 4.699 -0.306 347 HD3 ARG 45 HD3 ARG 45 -22.885 4.610 -1.460 348 HE ARG 45 HE ARG 45 -21.247 2.419 -0.490 349 HH11 ARG 45 HH11 ARG 45 -23.773 3.454 -2.695 350 HH12 ARG 45 HH12 ARG 45 -24.319 1.840 -3.018 351 HH21 ARG 45 HH21 ARG 45 -21.987 0.303 -0.926 352 HH22 ARG 45 HH22 ARG 45 -23.306 0.060 -2.029 353 H THR 46 H THR 46 -19.528 6.965 -4.783 354 HA THR 46 HA THR 46 -20.038 5.309 -7.096 355 HB THR 46 HB THR 46 -18.552 7.321 -7.221 356 HG1 THR 46 HG1 THR 46 -17.966 6.139 -8.877 357 HG21 THR 46 HG21 THR 46 -16.669 5.622 -5.581 358 HG22 THR 46 HG22 THR 46 -17.441 7.114 -5.051 359 HG23 THR 46 HG23 THR 46 -16.256 7.151 -6.356 360 H ARG 47 H ARG 47 -18.523 3.462 -7.567 361 HA ARG 47 HA ARG 47 -18.798 1.588 -5.447 362 HB2 ARG 47 HB2 ARG 47 -17.180 1.197 -7.964 363 HB3 ARG 47 HB3 ARG 47 -17.955 -0.035 -6.982 364 HG2 ARG 47 HG2 ARG 47 -19.283 1.998 -8.757 365 HG3 ARG 47 HG3 ARG 47 -19.247 0.247 -8.955 366 HD2 ARG 47 HD2 ARG 47 -20.594 -0.023 -6.941 367 HD3 ARG 47 HD3 ARG 47 -20.587 1.719 -6.688 368 HE ARG 47 HE ARG 47 -21.705 0.680 -9.181 369 HH11 ARG 47 HH11 ARG 47 -22.225 2.158 -6.049 370 HH12 ARG 47 HH12 ARG 47 -23.865 2.597 -6.379 371 HH21 ARG 47 HH21 ARG 47 -23.866 1.261 -9.626 372 HH22 ARG 47 HH22 ARG 47 -24.813 2.062 -8.414 373 H LYS 48 H LYS 48 -16.221 3.549 -6.654 374 HA LYS 48 HA LYS 48 -13.985 2.381 -5.525 375 HB2 LYS 48 HB2 LYS 48 -13.434 4.095 -6.927 376 HB3 LYS 48 HB3 LYS 48 -14.766 5.104 -6.402 377 HG2 LYS 48 HG2 LYS 48 -12.429 4.658 -4.589 378 HG3 LYS 48 HG3 LYS 48 -12.321 5.817 -5.917 379 HD2 LYS 48 HD2 LYS 48 -14.358 6.930 -5.042 380 HD3 LYS 48 HD3 LYS 48 -14.341 5.822 -3.674 381 HE2 LYS 48 HE2 LYS 48 -13.361 7.869 -2.970 382 HE3 LYS 48 HE3 LYS 48 -12.071 6.675 -3.110 383 HZ1 LYS 48 HZ1 LYS 48 -11.400 8.785 -4.051 384 HZ2 LYS 48 HZ2 LYS 48 -12.721 8.780 -5.105 385 HZ3 LYS 48 HZ3 LYS 48 -11.500 7.622 -5.273 386 H GLN 49 H GLN 49 -16.517 4.239 -3.955 387 HA GLN 49 HA GLN 49 -15.072 4.932 -1.633 388 HB2 GLN 49 HB2 GLN 49 -18.009 4.673 -2.178 389 HB3 GLN 49 HB3 GLN 49 -17.413 5.056 -0.571 390 HG2 GLN 49 HG2 GLN 49 -16.129 6.952 -1.765 391 HG3 GLN 49 HG3 GLN 49 -17.268 6.658 -3.074 392 HE21 GLN 49 HE21 GLN 49 -18.174 8.720 -2.801 393 HE22 GLN 49 HE22 GLN 49 -19.224 9.073 -1.475 394 H ILE 50 H ILE 50 -17.107 2.140 -2.385 395 HA ILE 50 HA ILE 50 -17.135 1.085 0.226 396 HB ILE 50 HB ILE 50 -17.450 -0.298 -2.439 397 HG12 ILE 50 HG12 ILE 50 -19.867 -0.453 -1.396 398 HG13 ILE 50 HG13 ILE 50 -19.322 0.925 -0.450 399 HG21 ILE 50 HG21 ILE 50 -18.402 -2.179 -1.164 400 HG22 ILE 50 HG22 ILE 50 -17.884 -1.398 0.330 401 HG23 ILE 50 HG23 ILE 50 -16.685 -1.931 -0.849 402 HD11 ILE 50 HD11 ILE 50 -20.572 1.587 -2.443 403 HD12 ILE 50 HD12 ILE 50 -19.366 0.792 -3.457 404 HD13 ILE 50 HD13 ILE 50 -18.915 2.188 -2.475 405 H ILE 51 H ILE 51 -15.096 0.390 -2.577 406 HA ILE 51 HA ILE 51 -13.423 -1.542 -1.432 407 HB ILE 51 HB ILE 51 -12.785 0.551 -3.513 408 HG12 ILE 51 HG12 ILE 51 -13.535 -2.364 -3.762 409 HG13 ILE 51 HG13 ILE 51 -14.586 -1.002 -4.128 410 HG21 ILE 51 HG21 ILE 51 -10.878 -0.877 -4.123 411 HG22 ILE 51 HG22 ILE 51 -11.215 -1.904 -2.729 412 HG23 ILE 51 HG23 ILE 51 -10.731 -0.222 -2.491 413 HD11 ILE 51 HD11 ILE 51 -13.646 -2.009 -6.143 414 HD12 ILE 51 HD12 ILE 51 -12.020 -1.658 -5.558 415 HD13 ILE 51 HD13 ILE 51 -13.124 -0.337 -5.945 416 H HIS 52 H HIS 52 -13.205 1.971 -1.543 417 HA HIS 52 HA HIS 52 -10.605 2.068 -0.387 418 HB2 HIS 52 HB2 HIS 52 -12.597 4.054 -1.339 419 HB3 HIS 52 HB3 HIS 52 -11.350 4.610 -0.225 420 HD1 HIS 52 HD1 HIS 52 -9.602 5.708 -1.535 421 HD2 HIS 52 HD2 HIS 52 -11.006 2.280 -3.439 422 HE1 HIS 52 HE1 HIS 52 -8.173 5.433 -3.562 423 HE2 HIS 52 HE2 HIS 52 -9.172 3.486 -4.814 424 H HIS 53 H HIS 53 -13.867 2.872 0.865 425 HA HIS 53 HA HIS 53 -13.035 3.973 3.292 426 HB2 HIS 53 HB2 HIS 53 -15.552 2.442 2.631 427 HB3 HIS 53 HB3 HIS 53 -15.289 3.224 4.180 428 HD1 HIS 53 HD1 HIS 53 -13.950 5.831 2.838 429 HD2 HIS 53 HD2 HIS 53 -17.642 4.119 1.886 430 HE1 HIS 53 HE1 HIS 53 -15.298 7.667 1.786 431 HE2 HIS 53 HE2 HIS 53 -17.541 6.649 1.300 432 H LEU 54 H LEU 54 -13.334 0.630 2.338 433 HA LEU 54 HA LEU 54 -13.197 -0.420 4.991 434 HB2 LEU 54 HB2 LEU 54 -12.920 -1.657 2.267 435 HB3 LEU 54 HB3 LEU 54 -12.770 -2.590 3.745 436 HG LEU 54 HG LEU 54 -15.218 -0.956 3.091 437 HD11 LEU 54 HD11 LEU 54 -16.268 -3.036 2.404 438 HD12 LEU 54 HD12 LEU 54 -14.738 -3.889 2.606 439 HD13 LEU 54 HD13 LEU 54 -14.899 -2.646 1.364 440 HD21 LEU 54 HD21 LEU 54 -14.881 -1.501 5.452 441 HD22 LEU 54 HD22 LEU 54 -14.727 -3.208 5.037 442 HD23 LEU 54 HD23 LEU 54 -16.259 -2.376 4.783 443 H VAL 55 H VAL 55 -10.820 -0.174 2.328 444 HA VAL 55 HA VAL 55 -8.721 -1.254 3.940 445 HB VAL 55 HB VAL 55 -7.179 -0.533 2.168 446 HG11 VAL 55 HG11 VAL 55 -9.703 -1.835 1.178 447 HG12 VAL 55 HG12 VAL 55 -8.320 -2.643 1.917 448 HG13 VAL 55 HG13 VAL 55 -8.151 -1.868 0.341 449 HG21 VAL 55 HG21 VAL 55 -9.608 0.693 0.878 450 HG22 VAL 55 HG22 VAL 55 -8.022 0.517 0.132 451 HG23 VAL 55 HG23 VAL 55 -8.226 1.574 1.530 452 H GLN 56 H GLN 56 -10.107 1.852 3.509 453 HA GLN 56 HA GLN 56 -8.005 3.405 4.618 454 HB2 GLN 56 HB2 GLN 56 -10.929 3.811 4.132 455 HB3 GLN 56 HB3 GLN 56 -10.044 4.975 5.097 456 HG2 GLN 56 HG2 GLN 56 -8.633 5.542 3.278 457 HG3 GLN 56 HG3 GLN 56 -9.215 4.179 2.318 458 HE21 GLN 56 HE21 GLN 56 -9.853 5.496 0.636 459 HE22 GLN 56 HE22 GLN 56 -11.240 6.532 0.738 460 H MET 57 H MET 57 -10.494 1.408 5.984 461 HA MET 57 HA MET 57 -10.059 2.511 8.637 462 HB2 MET 57 HB2 MET 57 -11.965 0.456 7.555 463 HB3 MET 57 HB3 MET 57 -11.731 0.663 9.288 464 HG2 MET 57 HG2 MET 57 -12.383 3.014 9.081 465 HG3 MET 57 HG3 MET 57 -12.657 2.778 7.358 466 HE1 MET 57 HE1 MET 57 -15.780 0.494 7.244 467 HE2 MET 57 HE2 MET 57 -14.079 0.097 7.001 468 HE3 MET 57 HE3 MET 57 -14.742 1.586 6.329 469 H GLY 58 H GLY 58 -8.391 0.518 6.741 470 HA2 GLY 58 HA2 GLY 58 -6.608 -0.859 7.186 471 HA3 GLY 58 HA3 GLY 58 -6.793 -0.432 8.878 472 H LEU 59 H LEU 59 -9.613 -1.705 7.479 473 HA LEU 59 HA LEU 59 -9.149 -4.238 8.871 474 HB2 LEU 59 HB2 LEU 59 -11.599 -4.578 8.624 475 HB3 LEU 59 HB3 LEU 59 -11.154 -3.176 9.572 476 HG LEU 59 HG LEU 59 -11.523 -1.847 7.389 477 HD11 LEU 59 HD11 LEU 59 -13.203 -4.258 6.759 478 HD12 LEU 59 HD12 LEU 59 -11.669 -3.885 5.974 479 HD13 LEU 59 HD13 LEU 59 -13.034 -2.781 5.812 480 HD21 LEU 59 HD21 LEU 59 -13.940 -1.699 7.873 481 HD22 LEU 59 HD22 LEU 59 -12.931 -1.604 9.315 482 HD23 LEU 59 HD23 LEU 59 -13.783 -3.101 8.932 483 H ALA 60 H ALA 60 -9.437 -2.863 5.776 484 HA ALA 60 HA ALA 60 -9.194 -5.552 4.590 485 HB1 ALA 60 HB1 ALA 60 -9.818 -4.506 2.448 486 HB2 ALA 60 HB2 ALA 60 -10.028 -2.965 3.280 487 HB3 ALA 60 HB3 ALA 60 -11.078 -4.326 3.671 488 H ASP 61 H ASP 61 -7.542 -5.847 3.006 489 HA ASP 61 HA ASP 61 -5.087 -4.752 3.895 490 HB2 ASP 61 HB2 ASP 61 -5.326 -7.049 3.009 491 HB3 ASP 61 HB3 ASP 61 -5.648 -6.376 1.413 492 H SER 62 H SER 62 -6.474 -4.661 0.616 493 HA SER 62 HA SER 62 -5.597 -1.931 0.223 494 HB2 SER 62 HB2 SER 62 -4.482 -4.112 -1.536 495 HB3 SER 62 HB3 SER 62 -4.107 -2.398 -1.616 496 HG SER 62 HG SER 62 -3.348 -4.279 0.372 497 H VAL 63 H VAL 63 -6.011 -1.371 -2.208 498 HA VAL 63 HA VAL 63 -8.680 -1.997 -2.884 499 HB VAL 63 HB VAL 63 -6.436 -0.738 -4.470 500 HG11 VAL 63 HG11 VAL 63 -7.947 -1.817 -6.050 501 HG12 VAL 63 HG12 VAL 63 -8.113 -0.062 -6.127 502 HG13 VAL 63 HG13 VAL 63 -9.326 -1.027 -5.288 503 HG21 VAL 63 HG21 VAL 63 -8.917 0.383 -3.176 504 HG22 VAL 63 HG22 VAL 63 -7.756 1.309 -4.128 505 HG23 VAL 63 HG23 VAL 63 -7.260 0.572 -2.604 506 H LYS 64 H LYS 64 -5.628 -3.427 -3.610 507 HA LYS 64 HA LYS 64 -6.271 -5.000 -5.833 508 HB2 LYS 64 HB2 LYS 64 -4.344 -5.634 -3.599 509 HB3 LYS 64 HB3 LYS 64 -4.344 -6.365 -5.189 510 HG2 LYS 64 HG2 LYS 64 -3.855 -4.175 -6.182 511 HG3 LYS 64 HG3 LYS 64 -3.809 -3.471 -4.566 512 HD2 LYS 64 HD2 LYS 64 -2.004 -5.696 -5.514 513 HD3 LYS 64 HD3 LYS 64 -1.564 -3.989 -5.520 514 HE2 LYS 64 HE2 LYS 64 -0.638 -4.642 -3.531 515 HE3 LYS 64 HE3 LYS 64 -2.234 -4.144 -2.979 516 HZ1 LYS 64 HZ1 LYS 64 -2.931 -6.454 -3.009 517 HZ2 LYS 64 HZ2 LYS 64 -1.564 -6.273 -2.038 518 HZ3 LYS 64 HZ3 LYS 64 -1.415 -6.935 -3.584 519 H ASP 65 H ASP 65 -7.088 -5.339 -2.485 520 HA ASP 65 HA ASP 65 -7.629 -8.119 -2.422 521 HB2 ASP 65 HB2 ASP 65 -7.364 -6.649 -0.408 522 HB3 ASP 65 HB3 ASP 65 -8.922 -5.930 -0.775 523 H PHE 66 H PHE 66 -9.474 -5.300 -3.300 524 HA PHE 66 HA PHE 66 -11.906 -6.834 -3.740 525 HB2 PHE 66 HB2 PHE 66 -11.337 -3.889 -4.182 526 HB3 PHE 66 HB3 PHE 66 -12.920 -4.656 -4.235 527 HD1 PHE 66 HD1 PHE 66 -14.196 -4.877 -2.265 528 HD2 PHE 66 HD2 PHE 66 -10.059 -3.921 -2.042 529 HE1 PHE 66 HE1 PHE 66 -14.426 -4.446 0.134 530 HE2 PHE 66 HE2 PHE 66 -10.280 -3.489 0.357 531 HZ PHE 66 HZ PHE 66 -12.464 -3.741 1.454 532 H GLN 67 H GLN 67 -9.539 -4.928 -5.529 533 HA GLN 67 HA GLN 67 -10.310 -6.193 -8.025 534 HB2 GLN 67 HB2 GLN 67 -10.708 -3.263 -7.424 535 HB3 GLN 67 HB3 GLN 67 -10.520 -3.857 -9.078 536 HG2 GLN 67 HG2 GLN 67 -12.473 -5.335 -8.715 537 HG3 GLN 67 HG3 GLN 67 -12.677 -4.619 -7.115 538 HE21 GLN 67 HE21 GLN 67 -14.717 -3.862 -7.640 539 HE22 GLN 67 HE22 GLN 67 -14.968 -2.524 -8.700 540 H ARG 68 H ARG 68 -8.178 -6.993 -8.161 541 HA ARG 68 HA ARG 68 -5.898 -5.301 -8.126 542 HB2 ARG 68 HB2 ARG 68 -6.342 -8.019 -9.353 543 HB3 ARG 68 HB3 ARG 68 -4.798 -7.185 -9.420 544 HG2 ARG 68 HG2 ARG 68 -4.846 -7.116 -6.914 545 HG3 ARG 68 HG3 ARG 68 -6.242 -8.192 -6.990 546 HD2 ARG 68 HD2 ARG 68 -3.494 -8.747 -8.098 547 HD3 ARG 68 HD3 ARG 68 -4.195 -9.463 -6.648 548 HE ARG 68 HE ARG 68 -5.948 -10.048 -8.697 549 HH11 ARG 68 HH11 ARG 68 -2.584 -10.735 -7.969 550 HH12 ARG 68 HH12 ARG 68 -2.577 -12.232 -8.838 551 HH21 ARG 68 HH21 ARG 68 -5.919 -12.001 -9.875 552 HH22 ARG 68 HH22 ARG 68 -4.461 -12.943 -9.946 553 H LYS 69 H LYS 69 -6.727 -3.537 -9.420 554 HA LYS 69 HA LYS 69 -5.926 -3.978 -12.209 555 HB2 LYS 69 HB2 LYS 69 -7.569 -2.399 -13.026 556 HB3 LYS 69 HB3 LYS 69 -8.368 -3.693 -12.147 557 HG2 LYS 69 HG2 LYS 69 -8.729 -2.252 -10.254 558 HG3 LYS 69 HG3 LYS 69 -7.784 -0.963 -11.011 559 HD2 LYS 69 HD2 LYS 69 -9.433 -0.961 -12.886 560 HD3 LYS 69 HD3 LYS 69 -10.406 -2.112 -11.971 561 HE2 LYS 69 HE2 LYS 69 -9.617 0.626 -10.990 562 HE3 LYS 69 HE3 LYS 69 -11.156 0.246 -11.756 563 HZ1 LYS 69 HZ1 LYS 69 -11.629 -1.303 -9.965 564 HZ2 LYS 69 HZ2 LYS 69 -11.336 0.248 -9.355 565 HZ3 LYS 69 HZ3 LYS 69 -10.147 -0.938 -9.231 566 H GLY 70 H GLY 70 -6.042 -1.806 -9.446 567 HA2 GLY 70 HA2 GLY 70 -4.344 0.138 -10.763 568 HA3 GLY 70 HA3 GLY 70 -4.970 0.238 -9.123 569 H THR 71 H THR 71 -3.360 -2.610 -10.323 570 HA THR 71 HA THR 71 -1.382 -2.586 -8.283 571 HB THR 71 HB THR 71 -0.350 -4.376 -9.945 572 HG1 THR 71 HG1 THR 71 -1.529 -4.189 -11.753 573 HG21 THR 71 HG21 THR 71 -2.996 -4.812 -8.537 574 HG22 THR 71 HG22 THR 71 -1.408 -4.884 -7.777 575 HG23 THR 71 HG23 THR 71 -1.851 -6.069 -9.005 576 H HIS 72 H HIS 72 0.985 -2.497 -8.688 577 HA HIS 72 HA HIS 72 1.753 -0.522 -10.613 578 HB2 HIS 72 HB2 HIS 72 3.440 -0.411 -9.090 579 HB3 HIS 72 HB3 HIS 72 3.095 -2.024 -8.479 580 HD1 HIS 72 HD1 HIS 72 4.469 -0.970 -11.890 581 HD2 HIS 72 HD2 HIS 72 5.446 -3.353 -8.640 582 HE1 HIS 72 HE1 HIS 72 6.398 -2.371 -12.643 583 HE2 HIS 72 HE2 HIS 72 7.225 -3.446 -10.516 584 H ILE 73 H ILE 73 1.597 -3.963 -10.449 585 HA ILE 73 HA ILE 73 3.437 -5.185 -11.655 586 HB ILE 73 HB ILE 73 0.605 -5.583 -11.822 587 HG12 ILE 73 HG12 ILE 73 2.436 -6.637 -10.409 588 HG13 ILE 73 HG13 ILE 73 1.208 -7.726 -11.059 589 HG21 ILE 73 HG21 ILE 73 0.846 -7.410 -13.609 590 HG22 ILE 73 HG22 ILE 73 2.228 -6.460 -14.165 591 HG23 ILE 73 HG23 ILE 73 0.622 -5.740 -14.131 592 HD11 ILE 73 HD11 ILE 73 2.773 -8.389 -12.819 593 HD12 ILE 73 HD12 ILE 73 3.445 -8.674 -11.214 594 HD13 ILE 73 HD13 ILE 73 3.978 -7.284 -12.160 595 H VAL 74 H VAL 74 4.726 -5.248 -13.180 596 HA VAL 74 HA VAL 74 4.938 -3.375 -15.200 597 HB VAL 74 HB VAL 74 6.721 -4.719 -16.102 598 HG11 VAL 74 HG11 VAL 74 8.036 -5.228 -14.076 599 HG12 VAL 74 HG12 VAL 74 6.579 -4.984 -13.109 600 HG13 VAL 74 HG13 VAL 74 7.265 -3.645 -14.032 601 HG21 VAL 74 HG21 VAL 74 7.107 -7.023 -15.515 602 HG22 VAL 74 HG22 VAL 74 5.477 -6.861 -16.158 603 HG23 VAL 74 HG23 VAL 74 5.725 -7.016 -14.418 604 H LEU 75 H LEU 75 4.574 -3.481 -17.395 605 HA LEU 75 HA LEU 75 2.184 -4.418 -18.318 606 HB2 LEU 75 HB2 LEU 75 3.348 -4.166 -20.612 607 HB3 LEU 75 HB3 LEU 75 3.193 -2.763 -19.567 608 HG LEU 75 HG LEU 75 5.633 -3.865 -18.823 609 HD11 LEU 75 HD11 LEU 75 6.872 -4.091 -20.926 610 HD12 LEU 75 HD12 LEU 75 5.369 -3.928 -21.833 611 HD13 LEU 75 HD13 LEU 75 5.616 -5.322 -20.781 612 HD21 LEU 75 HD21 LEU 75 6.577 -1.879 -19.909 613 HD22 LEU 75 HD22 LEU 75 5.112 -1.498 -19.005 614 HD23 LEU 75 HD23 LEU 75 5.054 -1.625 -20.760 615 H TRP 76 H TRP 76 1.809 -6.593 -17.738 616 HA TRP 76 HA TRP 76 3.464 -8.620 -19.015 617 HB2 TRP 76 HB2 TRP 76 1.275 -8.694 -16.975 618 HB3 TRP 76 HB3 TRP 76 1.640 -10.149 -17.901 619 HD1 TRP 76 HD1 TRP 76 2.815 -8.134 -14.992 620 HE1 TRP 76 HE1 TRP 76 4.892 -9.225 -13.952 621 HE3 TRP 76 HE3 TRP 76 3.859 -11.494 -18.672 622 HZ2 TRP 76 HZ2 TRP 76 6.744 -11.249 -14.616 623 HZ3 TRP 76 HZ3 TRP 76 5.803 -12.972 -18.403 624 HH2 TRP 76 HH2 TRP 76 7.217 -12.848 -16.417 625 H THR 77 H THR 77 3.108 -8.953 -21.089 626 HA THR 77 HA THR 77 0.338 -9.022 -22.060 627 HB THR 77 HB THR 77 1.324 -8.823 -24.322 628 HG1 THR 77 HG1 THR 77 3.519 -8.615 -24.576 629 HG21 THR 77 HG21 THR 77 2.141 -6.492 -24.096 630 HG22 THR 77 HG22 THR 77 2.233 -6.717 -22.349 631 HG23 THR 77 HG23 THR 77 0.671 -6.782 -23.165 632 H GLY 78 H GLY 78 -0.058 -10.701 -23.785 633 HA2 GLY 78 HA2 GLY 78 0.210 -13.251 -22.729 634 HA3 GLY 78 HA3 GLY 78 -0.192 -12.907 -24.402 635 H ASP 79 H ASP 79 2.167 -11.723 -25.261 636 HA ASP 79 HA ASP 79 3.764 -13.984 -25.817 637 HB2 ASP 79 HB2 ASP 79 4.462 -11.061 -26.133 638 HB3 ASP 79 HB3 ASP 79 5.351 -12.399 -26.847 639 H GLN 80 H GLN 80 4.144 -11.308 -23.535 640 HA GLN 80 HA GLN 80 6.774 -12.039 -22.741 641 HB2 GLN 80 HB2 GLN 80 5.907 -9.764 -22.440 642 HB3 GLN 80 HB3 GLN 80 4.731 -10.365 -21.278 643 HG2 GLN 80 HG2 GLN 80 6.508 -11.023 -19.771 644 HG3 GLN 80 HG3 GLN 80 7.720 -10.517 -20.951 645 HE21 GLN 80 HE21 GLN 80 5.320 -9.459 -18.677 646 HE22 GLN 80 HE22 GLN 80 5.801 -7.800 -18.630 647 H GLU 81 H GLU 81 3.559 -12.904 -21.627 648 HA GLU 81 HA GLU 81 4.328 -14.262 -19.280 649 HB2 GLU 81 HB2 GLU 81 2.001 -14.870 -21.120 650 HB3 GLU 81 HB3 GLU 81 2.180 -15.442 -19.466 651 HG2 GLU 81 HG2 GLU 81 2.158 -13.076 -18.707 652 HG3 GLU 81 HG3 GLU 81 1.829 -12.590 -20.367 653 H LEU 82 H LEU 82 4.160 -15.217 -22.658 654 HA LEU 82 HA LEU 82 4.911 -17.926 -22.258 655 HB2 LEU 82 HB2 LEU 82 3.863 -17.197 -24.333 656 HB3 LEU 82 HB3 LEU 82 5.223 -16.142 -24.673 657 HG LEU 82 HG LEU 82 6.647 -18.279 -24.641 658 HD11 LEU 82 HD11 LEU 82 3.933 -19.520 -25.044 659 HD12 LEU 82 HD12 LEU 82 4.975 -19.742 -23.639 660 HD13 LEU 82 HD13 LEU 82 5.488 -20.333 -25.221 661 HD21 LEU 82 HD21 LEU 82 6.156 -18.724 -26.981 662 HD22 LEU 82 HD22 LEU 82 6.189 -16.996 -26.639 663 HD23 LEU 82 HD23 LEU 82 4.645 -17.825 -26.839 664 H GLU 83 H GLU 83 6.709 -14.965 -22.997 665 HA GLU 83 HA GLU 83 9.264 -16.040 -23.238 666 HB2 GLU 83 HB2 GLU 83 8.378 -13.370 -22.140 667 HB3 GLU 83 HB3 GLU 83 10.056 -13.781 -22.468 668 HG2 GLU 83 HG2 GLU 83 7.829 -13.690 -24.492 669 HG3 GLU 83 HG3 GLU 83 9.094 -12.479 -24.278 670 H LEU 84 H LEU 84 7.518 -14.950 -20.361 671 HA LEU 84 HA LEU 84 9.468 -15.492 -18.440 672 HB2 LEU 84 HB2 LEU 84 7.442 -14.310 -17.864 673 HB3 LEU 84 HB3 LEU 84 6.461 -15.702 -18.278 674 HG LEU 84 HG LEU 84 7.523 -16.951 -16.398 675 HD11 LEU 84 HD11 LEU 84 8.763 -15.716 -14.712 676 HD12 LEU 84 HD12 LEU 84 8.684 -14.259 -15.702 677 HD13 LEU 84 HD13 LEU 84 9.592 -15.659 -16.268 678 HD21 LEU 84 HD21 LEU 84 5.352 -15.907 -16.116 679 HD22 LEU 84 HD22 LEU 84 6.117 -14.379 -15.686 680 HD23 LEU 84 HD23 LEU 84 6.290 -15.778 -14.628 681 H GLN 85 H GLN 85 6.855 -17.558 -19.650 682 HA GLN 85 HA GLN 85 7.441 -19.822 -18.134 683 HB2 GLN 85 HB2 GLN 85 5.335 -19.447 -19.378 684 HB3 GLN 85 HB3 GLN 85 6.193 -19.700 -20.887 685 HG2 GLN 85 HG2 GLN 85 6.628 -21.919 -19.112 686 HG3 GLN 85 HG3 GLN 85 4.907 -21.611 -19.304 687 HE21 GLN 85 HE21 GLN 85 7.308 -20.930 -21.758 688 HE22 GLN 85 HE22 GLN 85 6.779 -22.140 -22.871 689 H ARG 86 H ARG 86 8.512 -18.979 -21.441 690 HA ARG 86 HA ARG 86 9.878 -21.400 -21.887 691 HB2 ARG 86 HB2 ARG 86 10.228 -18.683 -23.150 692 HB3 ARG 86 HB3 ARG 86 11.124 -20.104 -23.674 693 HG2 ARG 86 HG2 ARG 86 8.787 -21.193 -23.915 694 HG3 ARG 86 HG3 ARG 86 8.195 -19.534 -23.884 695 HD2 ARG 86 HD2 ARG 86 10.321 -20.494 -25.792 696 HD3 ARG 86 HD3 ARG 86 8.602 -20.516 -26.169 697 HE ARG 86 HE ARG 86 9.489 -17.929 -25.330 698 HH11 ARG 86 HH11 ARG 86 9.355 -20.126 -28.061 699 HH12 ARG 86 HH12 ARG 86 9.426 -18.857 -29.240 700 HH21 ARG 86 HH21 ARG 86 9.552 -16.257 -26.879 701 HH22 ARG 86 HH22 ARG 86 9.538 -16.667 -28.577 702 H LEU 87 H LEU 87 11.177 -18.233 -20.847 703 HA LEU 87 HA LEU 87 13.836 -19.106 -20.548 704 HB2 LEU 87 HB2 LEU 87 12.263 -16.809 -19.508 705 HB3 LEU 87 HB3 LEU 87 13.798 -17.163 -18.742 706 HG LEU 87 HG LEU 87 14.848 -17.019 -21.039 707 HD11 LEU 87 HD11 LEU 87 13.636 -15.732 -22.726 708 HD12 LEU 87 HD12 LEU 87 12.185 -15.791 -21.723 709 HD13 LEU 87 HD13 LEU 87 12.856 -17.279 -22.393 710 HD21 LEU 87 HD21 LEU 87 15.112 -15.280 -19.413 711 HD22 LEU 87 HD22 LEU 87 13.538 -14.601 -19.820 712 HD23 LEU 87 HD23 LEU 87 14.851 -14.551 -20.996 713 H PHE 88 H PHE 88 11.159 -19.005 -18.263 714 HA PHE 88 HA PHE 88 12.392 -19.718 -15.927 715 HB2 PHE 88 HB2 PHE 88 10.139 -19.105 -15.806 716 HB3 PHE 88 HB3 PHE 88 9.665 -20.237 -17.064 717 HD1 PHE 88 HD1 PHE 88 8.632 -22.173 -16.482 718 HD2 PHE 88 HD2 PHE 88 11.069 -20.196 -13.613 719 HE1 PHE 88 HE1 PHE 88 7.934 -23.797 -14.779 720 HE2 PHE 88 HE2 PHE 88 10.378 -21.819 -11.904 721 HZ PHE 88 HZ PHE 88 8.808 -23.616 -12.486 722 H GLU 89 H GLU 89 11.262 -21.857 -18.511 723 HA GLU 89 HA GLU 89 12.111 -24.227 -17.116 724 HB2 GLU 89 HB2 GLU 89 11.376 -23.895 -20.015 725 HB3 GLU 89 HB3 GLU 89 11.409 -25.399 -19.106 726 HG2 GLU 89 HG2 GLU 89 9.561 -24.665 -17.752 727 HG3 GLU 89 HG3 GLU 89 9.578 -23.088 -18.542 728 H GLU 90 H GLU 90 13.366 -22.111 -19.627 729 HA GLU 90 HA GLU 90 15.374 -23.863 -20.584 730 HB2 GLU 90 HB2 GLU 90 14.896 -20.911 -20.761 731 HB3 GLU 90 HB3 GLU 90 16.363 -21.625 -21.430 732 HG2 GLU 90 HG2 GLU 90 14.956 -23.089 -22.833 733 HG3 GLU 90 HG3 GLU 90 13.526 -22.276 -22.200 734 H PHE 91 H PHE 91 15.376 -21.315 -18.133 735 HA PHE 91 HA PHE 91 18.174 -21.943 -17.519 736 HB2 PHE 91 HB2 PHE 91 16.393 -19.677 -16.612 737 HB3 PHE 91 HB3 PHE 91 18.043 -19.920 -16.051 738 HD1 PHE 91 HD1 PHE 91 19.899 -19.930 -17.801 739 HD2 PHE 91 HD2 PHE 91 15.968 -18.477 -18.565 740 HE1 PHE 91 HE1 PHE 91 20.751 -18.630 -19.707 741 HE2 PHE 91 HE2 PHE 91 16.817 -17.180 -20.477 742 HZ PHE 91 HZ PHE 91 19.211 -17.253 -21.046 743 H ARG 92 H ARG 92 15.572 -23.469 -16.773 744 HA ARG 92 HA ARG 92 15.353 -23.232 -13.957 745 HB2 ARG 92 HB2 ARG 92 13.497 -24.077 -15.286 746 HB3 ARG 92 HB3 ARG 92 14.452 -25.482 -15.739 747 HG2 ARG 92 HG2 ARG 92 14.416 -26.343 -13.554 748 HG3 ARG 92 HG3 ARG 92 13.835 -24.826 -12.880 749 HD2 ARG 92 HD2 ARG 92 11.713 -25.118 -14.042 750 HD3 ARG 92 HD3 ARG 92 12.285 -26.638 -14.727 751 HE ARG 92 HE ARG 92 12.595 -27.134 -12.137 752 HH11 ARG 92 HH11 ARG 92 9.915 -25.707 -13.856 753 HH12 ARG 92 HH12 ARG 92 8.730 -26.208 -12.693 754 HH21 ARG 92 HH21 ARG 92 11.024 -27.792 -10.581 755 HH22 ARG 92 HH22 ARG 92 9.359 -27.373 -10.824 756 H ASP 93 H ASP 93 17.422 -25.051 -16.023 757 HA ASP 93 HA ASP 93 18.192 -26.869 -13.902 758 HB2 ASP 93 HB2 ASP 93 17.985 -27.603 -16.285 759 HB3 ASP 93 HB3 ASP 93 19.389 -26.610 -16.667 760 H SER 94 H SER 94 18.779 -23.797 -14.097 761 HA SER 94 HA SER 94 21.660 -24.021 -13.559 762 HB2 SER 94 HB2 SER 94 21.839 -21.644 -13.917 763 HB3 SER 94 HB3 SER 94 20.924 -22.316 -15.262 764 HG SER 94 HG SER 94 19.008 -21.621 -14.188 765 H ASP 95 H ASP 95 22.165 -22.022 -11.863 766 HA ASP 95 HA ASP 95 21.322 -23.132 -9.400 767 HB2 ASP 95 HB2 ASP 95 23.518 -22.109 -9.669 768 HB3 ASP 95 HB3 ASP 95 22.773 -20.546 -9.984 769 H ASP 96 H ASP 96 20.425 -20.210 -11.149 770 HA ASP 96 HA ASP 96 18.108 -19.883 -9.391 771 HB2 ASP 96 HB2 ASP 96 19.936 -18.389 -8.563 772 HB3 ASP 96 HB3 ASP 96 19.969 -17.609 -10.139 773 H VAL 97 H VAL 97 16.379 -19.876 -10.694 774 HA VAL 97 HA VAL 97 16.621 -19.539 -13.512 775 HB VAL 97 HB VAL 97 14.080 -19.543 -11.874 776 HG11 VAL 97 HG11 VAL 97 13.755 -18.680 -14.113 777 HG12 VAL 97 HG12 VAL 97 13.033 -20.283 -13.971 778 HG13 VAL 97 HG13 VAL 97 14.577 -20.082 -14.798 779 HG21 VAL 97 HG21 VAL 97 14.939 -21.604 -11.350 780 HG22 VAL 97 HG22 VAL 97 15.822 -21.736 -12.864 781 HG23 VAL 97 HG23 VAL 97 14.073 -21.978 -12.845 782 H LEU 98 H LEU 98 15.061 -17.598 -10.983 783 HA LEU 98 HA LEU 98 13.970 -15.665 -12.676 784 HB2 LEU 98 HB2 LEU 98 14.591 -15.766 -9.773 785 HB3 LEU 98 HB3 LEU 98 14.151 -14.230 -10.488 786 HG LEU 98 HG LEU 98 12.078 -15.428 -11.363 787 HD11 LEU 98 HD11 LEU 98 11.332 -17.334 -10.031 788 HD12 LEU 98 HD12 LEU 98 12.909 -17.391 -9.245 789 HD13 LEU 98 HD13 LEU 98 12.775 -17.710 -10.975 790 HD21 LEU 98 HD21 LEU 98 10.903 -15.044 -9.269 791 HD22 LEU 98 HD22 LEU 98 12.075 -13.763 -9.591 792 HD23 LEU 98 HD23 LEU 98 12.442 -15.020 -8.408 793 H GLY 99 H GLY 99 17.075 -15.751 -10.998 794 HA2 GLY 99 HA2 GLY 99 17.932 -13.148 -11.541 795 HA3 GLY 99 HA3 GLY 99 18.995 -14.544 -11.364 796 H HIS 100 H HIS 100 17.991 -16.028 -13.566 797 HA HIS 100 HA HIS 100 19.487 -14.678 -15.640 798 HB2 HIS 100 HB2 HIS 100 18.260 -17.419 -15.427 799 HB3 HIS 100 HB3 HIS 100 18.919 -16.820 -16.945 800 HD1 HIS 100 HD1 HIS 100 21.470 -16.708 -17.172 801 HD2 HIS 100 HD2 HIS 100 20.173 -17.963 -13.421 802 HE1 HIS 100 HE1 HIS 100 23.517 -17.586 -16.004 803 HE2 HIS 100 HE2 HIS 100 22.733 -18.219 -13.695 804 H ILE 101 H ILE 101 16.186 -15.352 -14.840 805 HA ILE 101 HA ILE 101 14.974 -14.866 -17.313 806 HB ILE 101 HB ILE 101 13.940 -14.359 -14.514 807 HG12 ILE 101 HG12 ILE 101 13.412 -16.551 -16.538 808 HG13 ILE 101 HG13 ILE 101 14.342 -16.710 -15.051 809 HG21 ILE 101 HG21 ILE 101 12.772 -12.888 -16.060 810 HG22 ILE 101 HG22 ILE 101 11.705 -14.187 -15.529 811 HG23 ILE 101 HG23 ILE 101 12.436 -14.248 -17.132 812 HD11 ILE 101 HD11 ILE 101 12.342 -16.297 -13.738 813 HD12 ILE 101 HD12 ILE 101 12.103 -17.654 -14.837 814 HD13 ILE 101 HD13 ILE 101 11.404 -16.080 -15.213 815 H MET 102 H MET 102 15.398 -12.586 -14.593 816 HA MET 102 HA MET 102 14.444 -10.382 -16.078 817 HB2 MET 102 HB2 MET 102 15.587 -9.024 -14.206 818 HB3 MET 102 HB3 MET 102 14.230 -10.063 -13.801 819 HG2 MET 102 HG2 MET 102 15.513 -11.517 -12.617 820 HG3 MET 102 HG3 MET 102 16.950 -11.196 -13.567 821 HE1 MET 102 HE1 MET 102 15.345 -8.280 -10.378 822 HE2 MET 102 HE2 MET 102 14.541 -9.790 -10.811 823 HE3 MET 102 HE3 MET 102 14.630 -8.468 -11.979 824 H LYS 103 H LYS 103 17.636 -11.762 -15.777 825 HA LYS 103 HA LYS 103 19.030 -9.472 -16.761 826 HB2 LYS 103 HB2 LYS 103 19.801 -12.385 -16.628 827 HB3 LYS 103 HB3 LYS 103 20.877 -11.135 -17.230 828 HG2 LYS 103 HG2 LYS 103 19.680 -11.103 -14.473 829 HG3 LYS 103 HG3 LYS 103 21.238 -11.832 -14.855 830 HD2 LYS 103 HD2 LYS 103 22.007 -9.634 -15.709 831 HD3 LYS 103 HD3 LYS 103 20.468 -8.934 -15.197 832 HE2 LYS 103 HE2 LYS 103 20.930 -9.545 -12.891 833 HE3 LYS 103 HE3 LYS 103 22.434 -10.324 -13.377 834 HZ1 LYS 103 HZ1 LYS 103 21.816 -7.429 -13.590 835 HZ2 LYS 103 HZ2 LYS 103 23.244 -8.158 -14.127 836 HZ3 LYS 103 HZ3 LYS 103 22.866 -8.151 -12.478 837 H ASN 104 H ASN 104 17.588 -12.320 -18.301 838 HA ASN 104 HA ASN 104 18.817 -11.561 -20.841 839 HB2 ASN 104 HB2 ASN 104 19.004 -13.897 -20.100 840 HB3 ASN 104 HB3 ASN 104 17.251 -14.043 -20.111 841 HD21 ASN 104 HD21 ASN 104 16.213 -14.418 -22.012 842 HD22 ASN 104 HD22 ASN 104 17.013 -14.646 -23.522 843 H ILE 105 H ILE 105 15.816 -11.143 -19.273 844 HA ILE 105 HA ILE 105 14.347 -11.150 -21.790 845 HB ILE 105 HB ILE 105 13.250 -12.087 -19.795 846 HG12 ILE 105 HG12 ILE 105 11.077 -10.888 -20.079 847 HG13 ILE 105 HG13 ILE 105 11.928 -9.670 -21.015 848 HG21 ILE 105 HG21 ILE 105 13.224 -9.249 -18.788 849 HG22 ILE 105 HG22 ILE 105 14.130 -10.591 -18.094 850 HG23 ILE 105 HG23 ILE 105 12.368 -10.604 -18.050 851 HD11 ILE 105 HD11 ILE 105 11.755 -12.585 -21.735 852 HD12 ILE 105 HD12 ILE 105 12.501 -11.307 -22.694 853 HD13 ILE 105 HD13 ILE 105 10.759 -11.302 -22.419 854 H THR 106 H THR 106 13.268 -9.417 -22.625 855 HA THR 106 HA THR 106 14.810 -7.073 -22.722 856 HB THR 106 HB THR 106 13.466 -8.169 -24.553 857 HG1 THR 106 HG1 THR 106 13.294 -5.366 -24.061 858 HG21 THR 106 HG21 THR 106 11.343 -8.428 -23.404 859 HG22 THR 106 HG22 THR 106 11.139 -7.418 -24.836 860 HG23 THR 106 HG23 THR 106 11.198 -6.677 -23.237 861 H ALA 107 H ALA 107 12.071 -7.946 -20.801 862 HA ALA 107 HA ALA 107 11.647 -5.147 -20.010 863 HB1 ALA 107 HB1 ALA 107 9.623 -6.381 -20.584 864 HB2 ALA 107 HB2 ALA 107 9.630 -5.974 -18.867 865 HB3 ALA 107 HB3 ALA 107 10.017 -7.614 -19.385 866 H LYS 108 H LYS 108 12.501 -4.429 -18.158 867 HA LYS 108 HA LYS 108 13.982 -6.223 -16.484 868 HB2 LYS 108 HB2 LYS 108 13.292 -3.310 -16.054 869 HB3 LYS 108 HB3 LYS 108 14.440 -4.236 -15.101 870 HG2 LYS 108 HG2 LYS 108 14.689 -3.570 -18.028 871 HG3 LYS 108 HG3 LYS 108 15.583 -2.819 -16.708 872 HD2 LYS 108 HD2 LYS 108 17.152 -4.342 -17.359 873 HD3 LYS 108 HD3 LYS 108 16.243 -5.368 -16.249 874 HE2 LYS 108 HE2 LYS 108 14.954 -6.254 -18.146 875 HE3 LYS 108 HE3 LYS 108 15.873 -5.228 -19.245 876 HZ1 LYS 108 HZ1 LYS 108 16.745 -7.452 -19.261 877 HZ2 LYS 108 HZ2 LYS 108 16.952 -7.442 -17.580 878 HZ3 LYS 108 HZ3 LYS 108 17.885 -6.422 -18.554 879 H ARG 109 H ARG 109 12.876 -7.634 -15.369 880 HA ARG 109 HA ARG 109 10.506 -6.699 -13.908 881 HB2 ARG 109 HB2 ARG 109 11.076 -9.401 -15.128 882 HB3 ARG 109 HB3 ARG 109 9.715 -9.069 -14.061 883 HG2 ARG 109 HG2 ARG 109 8.959 -7.334 -15.664 884 HG3 ARG 109 HG3 ARG 109 10.248 -7.843 -16.754 885 HD2 ARG 109 HD2 ARG 109 8.286 -9.829 -15.683 886 HD3 ARG 109 HD3 ARG 109 7.871 -8.815 -17.060 887 HE ARG 109 HE ARG 109 9.625 -9.851 -18.298 888 HH11 ARG 109 HH11 ARG 109 9.082 -11.314 -15.168 889 HH12 ARG 109 HH12 ARG 109 9.747 -12.846 -15.620 890 HH21 ARG 109 HH21 ARG 109 10.481 -11.893 -18.910 891 HH22 ARG 109 HH22 ARG 109 10.545 -13.173 -17.749 892 H SER 110 H SER 110 10.656 -6.727 -11.834 893 HA SER 110 HA SER 110 13.011 -7.635 -10.522 894 HB2 SER 110 HB2 SER 110 11.970 -5.661 -9.677 895 HB3 SER 110 HB3 SER 110 10.415 -6.473 -9.504 896 HG SER 110 HG SER 110 12.679 -6.562 -7.879 897 H ARG 111 H ARG 111 13.078 -9.020 -8.682 898 HA ARG 111 HA ARG 111 12.400 -11.620 -9.367 899 HB2 ARG 111 HB2 ARG 111 13.056 -10.571 -6.610 900 HB3 ARG 111 HB3 ARG 111 13.217 -12.234 -7.153 901 HG2 ARG 111 HG2 ARG 111 14.764 -9.909 -8.273 902 HG3 ARG 111 HG3 ARG 111 15.359 -11.016 -7.042 903 HD2 ARG 111 HD2 ARG 111 14.527 -11.756 -9.840 904 HD3 ARG 111 HD3 ARG 111 16.182 -11.626 -9.254 905 HE ARG 111 HE ARG 111 14.232 -13.674 -8.471 906 HH11 ARG 111 HH11 ARG 111 17.534 -12.510 -8.594 907 HH12 ARG 111 HH12 ARG 111 18.214 -14.019 -8.077 908 HH21 ARG 111 HH21 ARG 111 15.133 -15.655 -7.770 909 HH22 ARG 111 HH22 ARG 111 16.863 -15.823 -7.654 910 H ALA 112 H ALA 112 10.896 -9.459 -7.000 911 HA ALA 112 HA ALA 112 9.182 -11.354 -5.843 912 HB1 ALA 112 HB1 ALA 112 8.761 -8.373 -6.023 913 HB2 ALA 112 HB2 ALA 112 9.758 -9.190 -4.820 914 HB3 ALA 112 HB3 ALA 112 8.020 -9.478 -4.865 915 H ARG 113 H ARG 113 8.766 -9.300 -8.685 916 HA ARG 113 HA ARG 113 5.947 -9.946 -8.854 917 HB2 ARG 113 HB2 ARG 113 6.889 -8.844 -11.310 918 HB3 ARG 113 HB3 ARG 113 5.812 -8.127 -10.123 919 HG2 ARG 113 HG2 ARG 113 7.759 -7.270 -8.897 920 HG3 ARG 113 HG3 ARG 113 8.817 -7.958 -10.135 921 HD2 ARG 113 HD2 ARG 113 7.658 -6.595 -11.835 922 HD3 ARG 113 HD3 ARG 113 6.694 -5.855 -10.549 923 HE ARG 113 HE ARG 113 9.340 -5.156 -11.321 924 HH11 ARG 113 HH11 ARG 113 7.269 -5.369 -8.489 925 HH12 ARG 113 HH12 ARG 113 8.136 -4.143 -7.620 926 HH21 ARG 113 HH21 ARG 113 10.455 -3.536 -10.175 927 HH22 ARG 113 HH22 ARG 113 9.934 -3.105 -8.573 928 H ILE 114 H ILE 114 8.939 -11.124 -10.138 929 HA ILE 114 HA ILE 114 7.802 -12.655 -12.254 930 HB ILE 114 HB ILE 114 10.410 -13.028 -10.763 931 HG12 ILE 114 HG12 ILE 114 9.787 -11.754 -13.435 932 HG13 ILE 114 HG13 ILE 114 10.282 -10.907 -11.973 933 HG21 ILE 114 HG21 ILE 114 9.780 -15.117 -11.751 934 HG22 ILE 114 HG22 ILE 114 11.071 -14.399 -12.720 935 HG23 ILE 114 HG23 ILE 114 9.401 -14.332 -13.283 936 HD11 ILE 114 HD11 ILE 114 11.966 -12.906 -13.471 937 HD12 ILE 114 HD12 ILE 114 12.456 -11.977 -12.054 938 HD13 ILE 114 HD13 ILE 114 12.119 -11.152 -13.576 939 H VAL 115 H VAL 115 8.761 -13.320 -8.927 940 HA VAL 115 HA VAL 115 8.145 -16.019 -8.745 941 HB VAL 115 HB VAL 115 8.038 -13.799 -6.719 942 HG11 VAL 115 HG11 VAL 115 6.427 -15.498 -6.018 943 HG12 VAL 115 HG12 VAL 115 7.836 -15.472 -4.960 944 HG13 VAL 115 HG13 VAL 115 7.667 -16.743 -6.174 945 HG21 VAL 115 HG21 VAL 115 10.017 -15.061 -5.817 946 HG22 VAL 115 HG22 VAL 115 10.249 -14.301 -7.389 947 HG23 VAL 115 HG23 VAL 115 9.964 -16.039 -7.285 948 H ASP 116 H ASP 116 6.062 -13.239 -7.993 949 HA ASP 116 HA ASP 116 3.799 -14.696 -7.208 950 HB2 ASP 116 HB2 ASP 116 4.307 -12.175 -6.958 951 HB3 ASP 116 HB3 ASP 116 3.660 -12.025 -8.584 952 H LYS 117 H LYS 117 4.886 -13.584 -10.367 953 HA LYS 117 HA LYS 117 2.429 -14.175 -11.688 954 HB2 LYS 117 HB2 LYS 117 4.583 -12.637 -12.289 955 HB3 LYS 117 HB3 LYS 117 4.897 -14.038 -13.300 956 HG2 LYS 117 HG2 LYS 117 2.183 -12.814 -13.367 957 HG3 LYS 117 HG3 LYS 117 3.510 -11.993 -14.188 958 HD2 LYS 117 HD2 LYS 117 3.976 -14.011 -15.469 959 HD3 LYS 117 HD3 LYS 117 2.666 -14.846 -14.639 960 HE2 LYS 117 HE2 LYS 117 2.301 -12.367 -16.302 961 HE3 LYS 117 HE3 LYS 117 2.101 -14.003 -16.923 962 HZ1 LYS 117 HZ1 LYS 117 -0.027 -13.228 -16.371 963 HZ2 LYS 117 HZ2 LYS 117 0.466 -12.627 -14.870 964 HZ3 LYS 117 HZ3 LYS 117 0.384 -14.296 -15.125 965 H LEU 118 H LEU 118 5.438 -15.954 -11.128 966 HA LEU 118 HA LEU 118 4.921 -18.173 -12.786 967 HB2 LEU 118 HB2 LEU 118 6.278 -18.060 -10.101 968 HB3 LEU 118 HB3 LEU 118 6.208 -19.497 -11.088 969 HG LEU 118 HG LEU 118 7.794 -16.998 -11.519 970 HD11 LEU 118 HD11 LEU 118 8.378 -19.957 -11.498 971 HD12 LEU 118 HD12 LEU 118 8.778 -18.789 -10.234 972 HD13 LEU 118 HD13 LEU 118 9.573 -18.691 -11.807 973 HD21 LEU 118 HD21 LEU 118 6.611 -17.486 -13.641 974 HD22 LEU 118 HD22 LEU 118 7.283 -19.116 -13.604 975 HD23 LEU 118 HD23 LEU 118 8.354 -17.723 -13.750 976 H LEU 119 H LEU 119 4.186 -17.621 -9.380 977 HA LEU 119 HA LEU 119 2.847 -20.001 -8.835 978 HB2 LEU 119 HB2 LEU 119 2.842 -17.254 -7.661 979 HB3 LEU 119 HB3 LEU 119 1.617 -18.391 -7.129 980 HG LEU 119 HG LEU 119 3.534 -18.339 -5.595 981 HD11 LEU 119 HD11 LEU 119 3.294 -20.948 -7.087 982 HD12 LEU 119 HD12 LEU 119 2.209 -20.380 -5.819 983 HD13 LEU 119 HD13 LEU 119 3.893 -20.738 -5.443 984 HD21 LEU 119 HD21 LEU 119 5.333 -17.814 -7.144 985 HD22 LEU 119 HD22 LEU 119 5.135 -19.379 -7.936 986 HD23 LEU 119 HD23 LEU 119 5.696 -19.300 -6.264 987 H ALA 120 H ALA 120 1.766 -17.032 -10.274 988 HA ALA 120 HA ALA 120 -1.018 -17.541 -10.105 989 HB1 ALA 120 HB1 ALA 120 0.415 -15.738 -12.037 990 HB2 ALA 120 HB2 ALA 120 0.045 -15.308 -10.368 991 HB3 ALA 120 HB3 ALA 120 -1.266 -15.625 -11.513 992 H LEU 121 H LEU 121 1.395 -17.991 -12.679 993 HA LEU 121 HA LEU 121 -0.383 -19.134 -14.570 994 HB2 LEU 121 HB2 LEU 121 2.567 -19.022 -14.188 995 HB3 LEU 121 HB3 LEU 121 1.928 -20.213 -15.301 996 HG LEU 121 HG LEU 121 0.996 -18.515 -16.698 997 HD11 LEU 121 HD11 LEU 121 0.196 -16.926 -15.111 998 HD12 LEU 121 HD12 LEU 121 1.341 -16.108 -16.177 999 HD13 LEU 121 HD13 LEU 121 1.834 -16.590 -14.553 1000 HD21 LEU 121 HD21 LEU 121 3.036 -17.345 -17.371 1001 HD22 LEU 121 HD22 LEU 121 3.360 -19.038 -16.989 1002 HD23 LEU 121 HD23 LEU 121 3.784 -17.779 -15.830 1003 H GLY 122 H GLY 122 1.152 -20.332 -11.747 1004 HA2 GLY 122 HA2 GLY 122 1.062 -22.414 -10.755 1005 HA3 GLY 122 HA3 GLY 122 0.102 -22.989 -12.116 1006 H LEU 123 H LEU 123 3.178 -21.348 -12.496 1007 HA LEU 123 HA LEU 123 4.243 -23.553 -13.996 1008 HB2 LEU 123 HB2 LEU 123 5.421 -20.929 -13.099 1009 HB3 LEU 123 HB3 LEU 123 6.340 -22.120 -14.004 1010 HG LEU 123 HG LEU 123 3.909 -20.599 -14.944 1011 HD11 LEU 123 HD11 LEU 123 5.495 -19.821 -16.693 1012 HD12 LEU 123 HD12 LEU 123 6.796 -20.607 -15.799 1013 HD13 LEU 123 HD13 LEU 123 5.897 -19.280 -15.064 1014 HD21 LEU 123 HD21 LEU 123 5.418 -22.821 -16.307 1015 HD22 LEU 123 HD22 LEU 123 4.231 -21.776 -17.087 1016 HD23 LEU 123 HD23 LEU 123 3.734 -22.851 -15.783 1017 H VAL 124 H VAL 124 4.312 -22.403 -10.802 1018 HA VAL 124 HA VAL 124 5.849 -24.740 -9.965 1019 HB VAL 124 HB VAL 124 7.014 -23.365 -8.235 1020 HG11 VAL 124 HG11 VAL 124 8.711 -22.436 -9.743 1021 HG12 VAL 124 HG12 VAL 124 7.601 -22.632 -11.099 1022 HG13 VAL 124 HG13 VAL 124 8.202 -24.048 -10.240 1023 HG21 VAL 124 HG21 VAL 124 5.610 -21.450 -8.129 1024 HG22 VAL 124 HG22 VAL 124 5.834 -21.114 -9.844 1025 HG23 VAL 124 HG23 VAL 124 7.179 -20.911 -8.725 1026 H ALA 125 H ALA 125 5.694 -24.908 -7.514 1027 HA ALA 125 HA ALA 125 2.988 -24.116 -6.655 1028 HB1 ALA 125 HB1 ALA 125 2.898 -26.147 -5.321 1029 HB2 ALA 125 HB2 ALA 125 4.523 -26.585 -5.842 1030 HB3 ALA 125 HB3 ALA 125 3.203 -26.538 -7.013 1031 H GLU 126 H GLU 126 6.188 -23.572 -6.219 1032 HA GLU 126 HA GLU 126 5.902 -22.290 -3.677 1033 HB2 GLU 126 HB2 GLU 126 7.662 -23.657 -2.557 1034 HB3 GLU 126 HB3 GLU 126 6.194 -24.569 -2.876 1035 HG2 GLU 126 HG2 GLU 126 7.387 -25.284 -5.046 1036 HG3 GLU 126 HG3 GLU 126 8.846 -24.737 -4.227 1037 H ARG 127 H ARG 127 7.989 -21.235 -3.060 1038 HA ARG 127 HA ARG 127 9.229 -20.175 -5.425 1039 HB2 ARG 127 HB2 ARG 127 9.868 -19.597 -2.533 1040 HB3 ARG 127 HB3 ARG 127 10.409 -18.665 -3.924 1041 HG2 ARG 127 HG2 ARG 127 7.939 -18.323 -4.438 1042 HG3 ARG 127 HG3 ARG 127 7.649 -18.920 -2.804 1043 HD2 ARG 127 HD2 ARG 127 9.276 -17.151 -2.022 1044 HD3 ARG 127 HD3 ARG 127 9.180 -16.493 -3.657 1045 HE ARG 127 HE ARG 127 6.581 -16.821 -2.619 1046 HH11 ARG 127 HH11 ARG 127 9.406 -14.794 -2.211 1047 HH12 ARG 127 HH12 ARG 127 8.501 -13.424 -1.663 1048 HH21 ARG 127 HH21 ARG 127 5.387 -15.019 -1.906 1049 HH22 ARG 127 HH22 ARG 127 6.207 -13.543 -1.498 1050 H ARG 128 H ARG 128 9.922 -22.623 -3.168 1051 HA ARG 128 HA ARG 128 12.698 -22.810 -3.338 1052 HB2 ARG 128 HB2 ARG 128 11.710 -24.196 -1.747 1053 HB3 ARG 128 HB3 ARG 128 10.503 -24.800 -2.874 1054 HG2 ARG 128 HG2 ARG 128 12.159 -26.130 -4.005 1055 HG3 ARG 128 HG3 ARG 128 13.438 -25.448 -2.997 1056 HD2 ARG 128 HD2 ARG 128 12.717 -27.692 -2.287 1057 HD3 ARG 128 HD3 ARG 128 12.513 -26.468 -1.039 1058 HE ARG 128 HE ARG 128 10.154 -26.978 -2.630 1059 HH11 ARG 128 HH11 ARG 128 12.011 -27.908 0.203 1060 HH12 ARG 128 HH12 ARG 128 10.635 -28.603 1.024 1061 HH21 ARG 128 HH21 ARG 128 8.353 -27.841 -1.548 1062 HH22 ARG 128 HH22 ARG 128 8.553 -28.573 0.021 1063 H GLU 129 H GLU 129 10.197 -23.802 -5.569 1064 HA GLU 129 HA GLU 129 11.857 -25.505 -7.143 1065 HB2 GLU 129 HB2 GLU 129 9.114 -24.341 -7.551 1066 HB3 GLU 129 HB3 GLU 129 9.879 -25.423 -8.707 1067 HG2 GLU 129 HG2 GLU 129 9.569 -26.157 -5.823 1068 HG3 GLU 129 HG3 GLU 129 8.280 -26.435 -7.004 1069 H LEU 130 H LEU 130 11.704 -22.180 -6.935 1070 HA LEU 130 HA LEU 130 12.207 -21.690 -9.759 1071 HB2 LEU 130 HB2 LEU 130 12.770 -19.507 -7.894 1072 HB3 LEU 130 HB3 LEU 130 11.784 -19.520 -9.336 1073 HG LEU 130 HG LEU 130 10.924 -20.422 -6.588 1074 HD11 LEU 130 HD11 LEU 130 11.155 -18.029 -6.751 1075 HD12 LEU 130 HD12 LEU 130 9.453 -18.485 -6.663 1076 HD13 LEU 130 HD13 LEU 130 10.160 -18.012 -8.206 1077 HD21 LEU 130 HD21 LEU 130 9.387 -20.354 -9.179 1078 HD22 LEU 130 HD22 LEU 130 8.642 -20.460 -7.582 1079 HD23 LEU 130 HD23 LEU 130 9.709 -21.749 -8.142 1080 H TYR 131 H TYR 131 13.874 -22.988 -7.383 1081 HA TYR 131 HA TYR 131 16.480 -22.084 -8.388 1082 HB2 TYR 131 HB2 TYR 131 15.842 -22.671 -5.478 1083 HB3 TYR 131 HB3 TYR 131 17.401 -22.175 -6.124 1084 HD1 TYR 131 HD1 TYR 131 13.919 -21.023 -5.528 1085 HD2 TYR 131 HD2 TYR 131 17.930 -19.889 -6.372 1086 HE1 TYR 131 HE1 TYR 131 13.335 -18.676 -5.085 1087 HE2 TYR 131 HE2 TYR 131 17.356 -17.540 -5.945 1088 HH TYR 131 HH TYR 131 15.569 -16.079 -5.777 1089 H LYS 132 H LYS 132 17.737 -23.843 -8.966 1090 HA LYS 132 HA LYS 132 16.546 -26.404 -8.919 1091 HB2 LYS 132 HB2 LYS 132 18.196 -25.691 -10.647 1092 HB3 LYS 132 HB3 LYS 132 19.464 -25.797 -9.429 1093 HG2 LYS 132 HG2 LYS 132 19.153 -28.148 -9.197 1094 HG3 LYS 132 HG3 LYS 132 17.697 -28.113 -10.187 1095 HD2 LYS 132 HD2 LYS 132 19.486 -28.988 -11.509 1096 HD3 LYS 132 HD3 LYS 132 19.102 -27.373 -12.104 1097 HE2 LYS 132 HE2 LYS 132 21.012 -26.445 -10.993 1098 HE3 LYS 132 HE3 LYS 132 21.334 -27.974 -10.174 1099 HZ1 LYS 132 HZ1 LYS 132 21.798 -28.988 -12.311 1100 HZ2 LYS 132 HZ2 LYS 132 22.798 -27.646 -12.074 1101 HZ3 LYS 132 HZ3 LYS 132 21.467 -27.532 -13.111 1102 H LYS 133 H LYS 133 16.137 -27.353 -7.063 1103 HA LYS 133 HA LYS 133 18.358 -27.794 -5.185 1104 HB2 LYS 133 HB2 LYS 133 16.652 -26.072 -4.417 1105 HB3 LYS 133 HB3 LYS 133 15.470 -27.370 -4.389 1106 HG2 LYS 133 HG2 LYS 133 16.750 -28.536 -2.693 1107 HG3 LYS 133 HG3 LYS 133 17.995 -27.287 -2.751 1108 HD2 LYS 133 HD2 LYS 133 16.290 -25.622 -2.064 1109 HD3 LYS 133 HD3 LYS 133 15.120 -26.933 -1.904 1110 HE2 LYS 133 HE2 LYS 133 15.985 -26.449 0.270 1111 HE3 LYS 133 HE3 LYS 133 16.646 -27.997 -0.246 1112 HZ1 LYS 133 HZ1 LYS 133 18.378 -26.700 0.736 1113 HZ2 LYS 133 HZ2 LYS 133 18.042 -25.378 -0.259 1114 HZ3 LYS 133 HZ3 LYS 133 18.682 -26.793 -0.924 1115 H ARG 134 H ARG 134 17.949 -29.779 -3.795 1116 HA ARG 134 HA ARG 134 16.393 -31.759 -5.311 1117 HB2 ARG 134 HB2 ARG 134 18.977 -32.528 -3.978 1118 HB3 ARG 134 HB3 ARG 134 18.081 -33.390 -5.217 1119 HG2 ARG 134 HG2 ARG 134 19.950 -32.581 -6.334 1120 HG3 ARG 134 HG3 ARG 134 18.686 -31.417 -6.746 1121 HD2 ARG 134 HD2 ARG 134 20.772 -30.287 -6.151 1122 HD3 ARG 134 HD3 ARG 134 19.480 -29.925 -4.998 1123 HE ARG 134 HE ARG 134 21.191 -32.135 -4.258 1124 HH11 ARG 134 HH11 ARG 134 20.765 -28.664 -4.055 1125 HH12 ARG 134 HH12 ARG 134 21.604 -28.532 -2.546 1126 HH21 ARG 134 HH21 ARG 134 22.300 -31.950 -2.283 1127 HH22 ARG 134 HH22 ARG 134 22.491 -30.389 -1.548 1128 H GLN 135 H GLN 135 14.824 -31.266 -3.720 1129 HA GLN 135 HA GLN 135 15.347 -32.573 -1.139 1130 HB2 GLN 135 HB2 GLN 135 13.570 -31.290 -0.170 1131 HB3 GLN 135 HB3 GLN 135 14.642 -30.187 -1.015 1132 HG2 GLN 135 HG2 GLN 135 12.012 -31.196 -2.089 1133 HG3 GLN 135 HG3 GLN 135 12.244 -29.648 -1.269 1134 HE21 GLN 135 HE21 GLN 135 11.286 -30.179 -3.971 1135 HE22 GLN 135 HE22 GLN 135 12.362 -29.341 -5.035 1136 H LYS 136 H LYS 136 13.818 -34.031 -0.297 1137 HA LYS 136 HA LYS 136 12.089 -35.260 -2.328 1138 HB2 LYS 136 HB2 LYS 136 13.097 -36.418 0.284 1139 HB3 LYS 136 HB3 LYS 136 12.169 -37.279 -0.931 1140 HG2 LYS 136 HG2 LYS 136 14.990 -36.271 -1.141 1141 HG3 LYS 136 HG3 LYS 136 14.426 -37.941 -1.176 1142 HD2 LYS 136 HD2 LYS 136 13.878 -35.835 -3.272 1143 HD3 LYS 136 HD3 LYS 136 15.030 -37.162 -3.411 1144 HE2 LYS 136 HE2 LYS 136 12.064 -37.517 -3.020 1145 HE3 LYS 136 HE3 LYS 136 12.870 -37.548 -4.586 1146 HZ1 LYS 136 HZ1 LYS 136 14.115 -39.461 -3.920 1147 HZ2 LYS 136 HZ2 LYS 136 12.475 -39.770 -3.640 1148 HZ3 LYS 136 HZ3 LYS 136 13.498 -39.392 -2.349 1149 H LYS 137 H LYS 137 10.511 -36.673 -0.224 1150 HA LYS 137 HA LYS 137 8.495 -34.728 0.105 1151 HB2 LYS 137 HB2 LYS 137 7.380 -36.446 1.538 1152 HB3 LYS 137 HB3 LYS 137 7.855 -37.027 -0.046 1153 HG2 LYS 137 HG2 LYS 137 8.850 -38.740 0.947 1154 HG3 LYS 137 HG3 LYS 137 10.014 -37.612 1.641 1155 HD2 LYS 137 HD2 LYS 137 7.600 -37.521 3.177 1156 HD3 LYS 137 HD3 LYS 137 8.092 -39.202 2.985 1157 HE2 LYS 137 HE2 LYS 137 10.253 -38.743 3.914 1158 HE3 LYS 137 HE3 LYS 137 9.946 -37.002 3.912 1159 HZ1 LYS 137 HZ1 LYS 137 9.680 -37.910 6.117 1160 HZ2 LYS 137 HZ2 LYS 137 8.538 -39.030 5.572 1161 HZ3 LYS 137 HZ3 LYS 137 8.180 -37.376 5.545 1162 H LEU 138 H LEU 138 9.565 -32.977 1.159 1163 HA LEU 138 HA LEU 138 9.349 -33.282 4.040 1164 HB2 LEU 138 HB2 LEU 138 11.438 -31.909 4.353 1165 HB3 LEU 138 HB3 LEU 138 11.651 -33.576 3.841 1166 HG LEU 138 HG LEU 138 11.750 -32.471 1.442 1167 HD11 LEU 138 HD11 LEU 138 12.880 -30.311 1.485 1168 HD12 LEU 138 HD12 LEU 138 12.681 -30.237 3.236 1169 HD13 LEU 138 HD13 LEU 138 11.265 -30.208 2.186 1170 HD21 LEU 138 HD21 LEU 138 13.491 -33.811 2.462 1171 HD22 LEU 138 HD22 LEU 138 14.020 -32.426 3.420 1172 HD23 LEU 138 HD23 LEU 138 14.182 -32.398 1.663 1173 H ALA 139 H ALA 139 9.535 -31.011 5.103 1174 HA ALA 139 HA ALA 139 7.339 -29.544 4.132 1175 HB1 ALA 139 HB1 ALA 139 7.877 -27.946 5.917 1176 HB2 ALA 139 HB2 ALA 139 9.433 -28.742 6.151 1177 HB3 ALA 139 HB3 ALA 139 7.938 -29.614 6.493 1178 H SER 140 H SER 140 7.572 -27.015 3.956 1179 HA SER 140 HA SER 140 8.907 -26.521 1.519 1180 HB2 SER 140 HB2 SER 140 6.847 -25.326 2.321 1181 HB3 SER 140 HB3 SER 140 7.858 -24.462 3.478 1182 HG SER 140 HG SER 140 9.119 -23.970 1.385 1183 H SER 141 H SER 141 11.076 -26.770 1.541 1184 HA SER 141 HA SER 141 12.660 -24.823 2.975 1185 HB2 SER 141 HB2 SER 141 12.347 -26.813 4.543 1186 HB3 SER 141 HB3 SER 141 13.248 -27.770 3.372 1187 HG SER 141 HG SER 141 14.842 -25.872 3.666 Start of MODEL 9 1 H1 ASP 1 HT1 ASP 1 -20.768 14.722 -8.659 2 H2 ASP 1 HT2 ASP 1 -21.584 13.754 -9.780 3 H3 ASP 1 HT3 ASP 1 -19.944 13.491 -9.474 4 HA ASP 1 HA ASP 1 -20.377 12.768 -7.269 5 HB2 ASP 1 HB2 ASP 1 -23.209 13.556 -7.952 6 HB3 ASP 1 HB3 ASP 1 -22.838 12.465 -6.620 7 HA PRO 2 HA PRO 2 -20.588 8.612 -8.713 8 HB2 PRO 2 HB2 PRO 2 -22.298 7.552 -6.729 9 HB3 PRO 2 HB3 PRO 2 -20.536 7.573 -6.707 10 HG2 PRO 2 HG2 PRO 2 -22.472 9.409 -5.402 11 HG3 PRO 2 HG3 PRO 2 -20.869 8.888 -4.853 12 HD2 PRO 2 HD2 PRO 2 -21.256 11.341 -5.835 13 HD3 PRO 2 HD3 PRO 2 -19.769 10.437 -6.198 14 H SER 3 H SER 3 -23.756 8.979 -7.180 15 HA SER 3 HA SER 3 -25.030 8.658 -9.812 16 HB2 SER 3 HB2 SER 3 -26.097 7.550 -7.200 17 HB3 SER 3 HB3 SER 3 -26.750 7.276 -8.815 18 HG SER 3 HG SER 3 -24.965 6.054 -9.322 19 H ARG 4 H ARG 4 -25.533 9.623 -6.448 20 HA ARG 4 HA ARG 4 -26.734 12.121 -7.411 21 HB2 ARG 4 HB2 ARG 4 -27.620 10.538 -4.983 22 HB3 ARG 4 HB3 ARG 4 -28.236 12.117 -5.452 23 HG2 ARG 4 HG2 ARG 4 -29.080 11.117 -7.550 24 HG3 ARG 4 HG3 ARG 4 -28.550 9.537 -6.969 25 HD2 ARG 4 HD2 ARG 4 -30.898 9.794 -6.521 26 HD3 ARG 4 HD3 ARG 4 -30.015 9.817 -4.997 27 HE ARG 4 HE ARG 4 -30.225 12.440 -5.618 28 HH11 ARG 4 HH11 ARG 4 -32.541 9.831 -5.354 29 HH12 ARG 4 HH12 ARG 4 -33.864 10.880 -4.949 30 HH21 ARG 4 HH21 ARG 4 -31.968 13.819 -5.058 31 HH22 ARG 4 HH22 ARG 4 -33.538 13.138 -4.772 32 H ARG 5 H ARG 5 -26.715 13.720 -5.405 33 HA ARG 5 HA ARG 5 -24.113 14.309 -4.694 34 HB2 ARG 5 HB2 ARG 5 -26.065 15.848 -4.502 35 HB3 ARG 5 HB3 ARG 5 -26.605 14.950 -3.095 36 HG2 ARG 5 HG2 ARG 5 -23.872 16.148 -3.118 37 HG3 ARG 5 HG3 ARG 5 -25.277 17.170 -2.812 38 HD2 ARG 5 HD2 ARG 5 -25.914 15.761 -0.936 39 HD3 ARG 5 HD3 ARG 5 -24.568 14.675 -1.271 40 HE ARG 5 HE ARG 5 -23.411 17.128 -0.919 41 HH11 ARG 5 HH11 ARG 5 -25.527 15.108 0.998 42 HH12 ARG 5 HH12 ARG 5 -24.881 15.642 2.515 43 HH21 ARG 5 HH21 ARG 5 -22.544 17.831 1.088 44 HH22 ARG 5 HH22 ARG 5 -23.180 17.181 2.565 45 H ALA 6 H ALA 6 -22.700 13.286 -3.451 46 HA ALA 6 HA ALA 6 -23.466 10.960 -2.010 47 HB1 ALA 6 HB1 ALA 6 -21.319 11.078 -3.110 48 HB2 ALA 6 HB2 ALA 6 -21.132 10.780 -1.379 49 HB3 ALA 6 HB3 ALA 6 -20.829 12.388 -2.034 50 HA PRO 7 HA PRO 7 -23.987 12.882 1.955 51 HB2 PRO 7 HB2 PRO 7 -25.123 10.839 3.160 52 HB3 PRO 7 HB3 PRO 7 -25.893 11.557 1.739 53 HG2 PRO 7 HG2 PRO 7 -24.238 9.069 1.905 54 HG3 PRO 7 HG3 PRO 7 -25.794 9.319 1.088 55 HD2 PRO 7 HD2 PRO 7 -23.303 9.483 -0.137 56 HD3 PRO 7 HD3 PRO 7 -24.800 10.208 -0.762 57 H THR 8 H THR 8 -23.529 12.050 4.316 58 HA THR 8 HA THR 8 -20.767 11.133 4.374 59 HB THR 8 HB THR 8 -21.094 11.656 6.898 60 HG1 THR 8 HG1 THR 8 -22.772 13.130 7.301 61 HG21 THR 8 HG21 THR 8 -20.610 14.029 6.476 62 HG22 THR 8 HG22 THR 8 -21.135 13.827 4.803 63 HG23 THR 8 HG23 THR 8 -19.711 12.969 5.389 64 H TRP 9 H TRP 9 -20.066 9.522 5.919 65 HA TRP 9 HA TRP 9 -21.932 7.296 6.061 66 HB2 TRP 9 HB2 TRP 9 -18.970 7.542 6.576 67 HB3 TRP 9 HB3 TRP 9 -19.872 6.083 6.967 68 HD1 TRP 9 HD1 TRP 9 -18.708 8.154 3.954 69 HE1 TRP 9 HE1 TRP 9 -18.790 6.657 1.864 70 HE3 TRP 9 HE3 TRP 9 -20.948 4.034 5.989 71 HZ2 TRP 9 HZ2 TRP 9 -19.679 4.071 1.171 72 HZ3 TRP 9 HZ3 TRP 9 -21.372 2.087 4.545 73 HH2 TRP 9 HH2 TRP 9 -20.750 2.107 2.185 74 H SER 10 H SER 10 -23.244 7.248 7.747 75 HA SER 10 HA SER 10 -22.628 8.339 10.304 76 HB2 SER 10 HB2 SER 10 -24.956 7.988 9.366 77 HB3 SER 10 HB3 SER 10 -24.728 6.259 9.624 78 HG SER 10 HG SER 10 -25.548 8.084 11.363 79 HA PRO 11 HA PRO 11 -20.025 5.304 12.221 80 HB2 PRO 11 HB2 PRO 11 -22.184 5.179 14.291 81 HB3 PRO 11 HB3 PRO 11 -20.435 5.312 14.499 82 HG2 PRO 11 HG2 PRO 11 -21.989 7.456 14.757 83 HG3 PRO 11 HG3 PRO 11 -20.405 7.569 13.972 84 HD2 PRO 11 HD2 PRO 11 -23.118 7.651 12.774 85 HD3 PRO 11 HD3 PRO 11 -21.609 8.396 12.211 86 H GLU 12 H GLU 12 -23.485 4.473 12.577 87 HA GLU 12 HA GLU 12 -23.198 1.703 12.695 88 HB2 GLU 12 HB2 GLU 12 -25.283 2.763 13.280 89 HB3 GLU 12 HB3 GLU 12 -25.473 3.397 11.653 90 HG2 GLU 12 HG2 GLU 12 -26.956 1.545 11.945 91 HG3 GLU 12 HG3 GLU 12 -25.685 1.087 10.815 92 H GLU 13 H GLU 13 -23.382 3.858 9.915 93 HA GLU 13 HA GLU 13 -23.720 1.765 8.003 94 HB2 GLU 13 HB2 GLU 13 -24.203 4.367 7.852 95 HB3 GLU 13 HB3 GLU 13 -22.562 4.402 7.219 96 HG2 GLU 13 HG2 GLU 13 -24.115 4.270 5.395 97 HG3 GLU 13 HG3 GLU 13 -23.227 2.749 5.506 98 H GLU 14 H GLU 14 -20.963 3.532 9.322 99 HA GLU 14 HA GLU 14 -18.978 2.424 7.634 100 HB2 GLU 14 HB2 GLU 14 -18.762 3.324 10.519 101 HB3 GLU 14 HB3 GLU 14 -17.400 2.979 9.467 102 HG2 GLU 14 HG2 GLU 14 -18.170 4.791 7.964 103 HG3 GLU 14 HG3 GLU 14 -19.420 5.180 9.146 104 H ALA 15 H ALA 15 -20.319 1.422 10.756 105 HA ALA 15 HA ALA 15 -18.772 -0.930 11.045 106 HB1 ALA 15 HB1 ALA 15 -20.371 -1.551 12.768 107 HB2 ALA 15 HB2 ALA 15 -21.488 -0.308 12.204 108 HB3 ALA 15 HB3 ALA 15 -19.942 0.155 12.914 109 H HIS 16 H HIS 16 -21.722 -0.197 9.394 110 HA HIS 16 HA HIS 16 -22.504 -2.855 8.786 111 HB2 HIS 16 HB2 HIS 16 -24.065 -0.912 8.802 112 HB3 HIS 16 HB3 HIS 16 -23.248 -0.279 7.379 113 HD1 HIS 16 HD1 HIS 16 -25.455 -0.404 6.051 114 HD2 HIS 16 HD2 HIS 16 -24.053 -4.077 7.408 115 HE1 HIS 16 HE1 HIS 16 -26.806 -2.156 4.836 116 HE2 HIS 16 HE2 HIS 16 -26.106 -4.342 5.870 117 H LEU 17 H LEU 17 -20.451 -0.459 7.280 118 HA LEU 17 HA LEU 17 -20.239 -1.703 4.750 119 HB2 LEU 17 HB2 LEU 17 -19.594 0.668 5.338 120 HB3 LEU 17 HB3 LEU 17 -18.166 0.012 6.113 121 HG LEU 17 HG LEU 17 -17.404 -0.895 3.961 122 HD11 LEU 17 HD11 LEU 17 -18.586 -0.151 1.901 123 HD12 LEU 17 HD12 LEU 17 -19.920 0.389 2.918 124 HD13 LEU 17 HD13 LEU 17 -19.487 -1.319 2.864 125 HD21 LEU 17 HD21 LEU 17 -16.879 1.228 2.893 126 HD22 LEU 17 HD22 LEU 17 -16.708 1.343 4.645 127 HD23 LEU 17 HD23 LEU 17 -18.127 2.028 3.850 128 H ARG 18 H ARG 18 -18.374 -1.919 7.743 129 HA ARG 18 HA ARG 18 -16.611 -3.912 6.678 130 HB2 ARG 18 HB2 ARG 18 -15.746 -4.091 8.957 131 HB3 ARG 18 HB3 ARG 18 -15.845 -2.409 8.467 132 HG2 ARG 18 HG2 ARG 18 -18.055 -2.336 9.711 133 HG3 ARG 18 HG3 ARG 18 -17.593 -3.892 10.399 134 HD2 ARG 18 HD2 ARG 18 -15.992 -1.342 10.593 135 HD3 ARG 18 HD3 ARG 18 -17.002 -2.014 11.870 136 HE ARG 18 HE ARG 18 -15.186 -3.987 11.144 137 HH11 ARG 18 HH11 ARG 18 -15.107 -0.776 12.544 138 HH12 ARG 18 HH12 ARG 18 -13.668 -1.075 13.465 139 HH21 ARG 18 HH21 ARG 18 -13.284 -4.381 12.359 140 HH22 ARG 18 HH22 ARG 18 -12.637 -3.129 13.369 141 H GLU 19 H GLU 19 -19.591 -3.741 8.446 142 HA GLU 19 HA GLU 19 -19.868 -6.257 9.465 143 HB2 GLU 19 HB2 GLU 19 -21.478 -4.405 9.766 144 HB3 GLU 19 HB3 GLU 19 -22.036 -4.658 8.118 145 HG2 GLU 19 HG2 GLU 19 -23.573 -5.681 9.623 146 HG3 GLU 19 HG3 GLU 19 -22.709 -6.935 8.739 147 H LEU 20 H LEU 20 -20.947 -5.156 6.282 148 HA LEU 20 HA LEU 20 -21.694 -7.725 5.350 149 HB2 LEU 20 HB2 LEU 20 -21.847 -5.039 4.461 150 HB3 LEU 20 HB3 LEU 20 -21.055 -5.956 3.195 151 HG LEU 20 HG LEU 20 -23.667 -6.829 4.401 152 HD11 LEU 20 HD11 LEU 20 -23.258 -5.150 1.937 153 HD12 LEU 20 HD12 LEU 20 -23.897 -4.565 3.472 154 HD13 LEU 20 HD13 LEU 20 -24.791 -5.771 2.550 155 HD21 LEU 20 HD21 LEU 20 -22.266 -7.464 1.812 156 HD22 LEU 20 HD22 LEU 20 -23.853 -8.063 2.292 157 HD23 LEU 20 HD23 LEU 20 -22.418 -8.531 3.205 158 H TYR 21 H TYR 21 -18.702 -5.903 5.278 159 HA TYR 21 HA TYR 21 -17.446 -7.448 3.252 160 HB2 TYR 21 HB2 TYR 21 -16.571 -5.238 3.805 161 HB3 TYR 21 HB3 TYR 21 -16.213 -5.770 5.447 162 HD1 TYR 21 HD1 TYR 21 -14.182 -6.856 5.949 163 HD2 TYR 21 HD2 TYR 21 -15.318 -6.320 1.890 164 HE1 TYR 21 HE1 TYR 21 -11.959 -7.625 5.237 165 HE2 TYR 21 HE2 TYR 21 -13.092 -7.076 1.163 166 HH TYR 21 HH TYR 21 -10.875 -7.347 1.961 167 H LEU 22 H LEU 22 -17.393 -7.531 6.781 168 HA LEU 22 HA LEU 22 -15.574 -9.633 7.078 169 HB2 LEU 22 HB2 LEU 22 -17.918 -9.004 8.866 170 HB3 LEU 22 HB3 LEU 22 -16.466 -9.875 9.311 171 HG LEU 22 HG LEU 22 -16.613 -6.959 8.560 172 HD11 LEU 22 HD11 LEU 22 -17.559 -7.455 10.755 173 HD12 LEU 22 HD12 LEU 22 -16.067 -6.523 10.870 174 HD13 LEU 22 HD13 LEU 22 -16.056 -8.253 11.217 175 HD21 LEU 22 HD21 LEU 22 -14.267 -6.858 9.232 176 HD22 LEU 22 HD22 LEU 22 -14.508 -7.911 7.840 177 HD23 LEU 22 HD23 LEU 22 -14.253 -8.611 9.439 178 H ALA 23 H ALA 23 -18.879 -9.613 6.118 179 HA ALA 23 HA ALA 23 -19.387 -12.376 6.702 180 HB1 ALA 23 HB1 ALA 23 -21.139 -10.644 6.755 181 HB2 ALA 23 HB2 ALA 23 -21.541 -11.997 5.698 182 HB3 ALA 23 HB3 ALA 23 -20.988 -10.472 5.008 183 H ASN 24 H ASN 24 -18.256 -10.610 3.841 184 HA ASN 24 HA ASN 24 -18.337 -13.155 2.352 185 HB2 ASN 24 HB2 ASN 24 -18.937 -10.385 1.305 186 HB3 ASN 24 HB3 ASN 24 -18.770 -11.818 0.297 187 HD21 ASN 24 HD21 ASN 24 -20.768 -10.133 2.582 188 HD22 ASN 24 HD22 ASN 24 -22.178 -11.117 2.379 189 H LYS 25 H LYS 25 -16.139 -11.610 3.820 190 HA LYS 25 HA LYS 25 -14.500 -10.400 1.818 191 HB2 LYS 25 HB2 LYS 25 -12.837 -10.159 3.576 192 HB3 LYS 25 HB3 LYS 25 -14.427 -9.698 4.171 193 HG2 LYS 25 HG2 LYS 25 -14.632 -11.943 5.194 194 HG3 LYS 25 HG3 LYS 25 -12.968 -12.271 4.710 195 HD2 LYS 25 HD2 LYS 25 -12.226 -10.342 6.038 196 HD3 LYS 25 HD3 LYS 25 -13.891 -10.068 6.549 197 HE2 LYS 25 HE2 LYS 25 -12.072 -12.350 7.211 198 HE3 LYS 25 HE3 LYS 25 -12.928 -11.268 8.306 199 HZ1 LYS 25 HZ1 LYS 25 -14.029 -13.364 8.313 200 HZ2 LYS 25 HZ2 LYS 25 -14.104 -13.420 6.625 201 HZ3 LYS 25 HZ3 LYS 25 -15.031 -12.286 7.479 202 H ASP 26 H ASP 26 -14.630 -13.586 3.262 203 HA ASP 26 HA ASP 26 -12.139 -14.280 1.879 204 HB2 ASP 26 HB2 ASP 26 -12.180 -16.333 3.364 205 HB3 ASP 26 HB3 ASP 26 -11.907 -14.796 4.169 206 H VAL 27 H VAL 27 -15.099 -14.200 0.961 207 HA VAL 27 HA VAL 27 -15.312 -16.895 -0.117 208 HB VAL 27 HB VAL 27 -17.023 -14.471 -0.726 209 HG11 VAL 27 HG11 VAL 27 -18.642 -16.091 -1.568 210 HG12 VAL 27 HG12 VAL 27 -17.528 -17.408 -1.202 211 HG13 VAL 27 HG13 VAL 27 -17.113 -16.221 -2.439 212 HG21 VAL 27 HG21 VAL 27 -17.144 -15.026 1.643 213 HG22 VAL 27 HG22 VAL 27 -17.501 -16.706 1.244 214 HG23 VAL 27 HG23 VAL 27 -18.654 -15.437 0.829 215 H GLU 28 H GLU 28 -13.940 -17.364 -1.678 216 HA GLU 28 HA GLU 28 -12.995 -15.240 -3.429 217 HB2 GLU 28 HB2 GLU 28 -12.024 -18.092 -3.211 218 HB3 GLU 28 HB3 GLU 28 -11.241 -16.785 -4.087 219 HG2 GLU 28 HG2 GLU 28 -10.963 -15.581 -1.935 220 HG3 GLU 28 HG3 GLU 28 -11.605 -16.999 -1.110 221 H GLY 29 H GLY 29 -13.024 -15.422 -5.679 222 HA2 GLY 29 HA2 GLY 29 -13.844 -16.248 -7.732 223 HA3 GLY 29 HA3 GLY 29 -14.823 -17.413 -6.846 224 H GLN 30 H GLN 30 -15.327 -14.838 -5.120 225 HA GLN 30 HA GLN 30 -17.562 -13.856 -6.754 226 HB2 GLN 30 HB2 GLN 30 -18.634 -14.861 -4.966 227 HB3 GLN 30 HB3 GLN 30 -17.323 -14.516 -3.848 228 HG2 GLN 30 HG2 GLN 30 -17.968 -12.206 -3.723 229 HG3 GLN 30 HG3 GLN 30 -19.200 -12.442 -4.955 230 HE21 GLN 30 HE21 GLN 30 -19.280 -11.504 -2.160 231 HE22 GLN 30 HE22 GLN 30 -20.501 -12.461 -1.427 232 H ASP 31 H ASP 31 -17.974 -11.664 -6.789 233 HA ASP 31 HA ASP 31 -15.875 -9.822 -6.256 234 HB2 ASP 31 HB2 ASP 31 -18.815 -9.471 -6.824 235 HB3 ASP 31 HB3 ASP 31 -17.710 -8.111 -6.622 236 H VAL 32 H VAL 32 -15.259 -9.515 -4.148 237 HA VAL 32 HA VAL 32 -17.095 -9.700 -1.998 238 HB VAL 32 HB VAL 32 -14.611 -10.019 -1.746 239 HG11 VAL 32 HG11 VAL 32 -14.609 -7.006 -1.915 240 HG12 VAL 32 HG12 VAL 32 -13.785 -8.136 -2.997 241 HG13 VAL 32 HG13 VAL 32 -13.257 -7.982 -1.320 242 HG21 VAL 32 HG21 VAL 32 -16.023 -8.077 0.071 243 HG22 VAL 32 HG22 VAL 32 -14.528 -8.917 0.478 244 HG23 VAL 32 HG23 VAL 32 -16.007 -9.836 0.193 245 H VAL 33 H VAL 33 -15.755 -6.991 -3.853 246 HA VAL 33 HA VAL 33 -16.789 -5.001 -2.129 247 HB VAL 33 HB VAL 33 -14.920 -4.584 -3.708 248 HG11 VAL 33 HG11 VAL 33 -15.358 -4.037 -6.023 249 HG12 VAL 33 HG12 VAL 33 -17.044 -4.514 -5.824 250 HG13 VAL 33 HG13 VAL 33 -15.764 -5.716 -5.676 251 HG21 VAL 33 HG21 VAL 33 -17.304 -2.768 -3.867 252 HG22 VAL 33 HG22 VAL 33 -15.684 -2.312 -4.389 253 HG23 VAL 33 HG23 VAL 33 -15.987 -2.706 -2.697 254 H GLU 34 H GLU 34 -18.015 -6.534 -5.056 255 HA GLU 34 HA GLU 34 -20.251 -4.804 -5.308 256 HB2 GLU 34 HB2 GLU 34 -19.241 -6.243 -7.141 257 HB3 GLU 34 HB3 GLU 34 -20.056 -7.609 -6.391 258 HG2 GLU 34 HG2 GLU 34 -22.193 -6.661 -6.799 259 HG3 GLU 34 HG3 GLU 34 -21.479 -5.130 -7.310 260 H ALA 35 H ALA 35 -19.638 -7.838 -3.656 261 HA ALA 35 HA ALA 35 -22.241 -8.412 -2.819 262 HB1 ALA 35 HB1 ALA 35 -21.216 -9.639 -0.985 263 HB2 ALA 35 HB2 ALA 35 -19.679 -8.831 -1.288 264 HB3 ALA 35 HB3 ALA 35 -20.346 -9.935 -2.491 265 H ILE 36 H ILE 36 -19.793 -6.235 -1.513 266 HA ILE 36 HA ILE 36 -21.278 -5.563 0.825 267 HB ILE 36 HB ILE 36 -19.182 -3.793 -0.402 268 HG12 ILE 36 HG12 ILE 36 -18.104 -5.907 -0.453 269 HG13 ILE 36 HG13 ILE 36 -17.517 -5.093 0.993 270 HG21 ILE 36 HG21 ILE 36 -20.380 -2.928 1.522 271 HG22 ILE 36 HG22 ILE 36 -18.692 -3.239 1.925 272 HG23 ILE 36 HG23 ILE 36 -19.946 -4.359 2.456 273 HD11 ILE 36 HD11 ILE 36 -17.983 -7.466 1.355 274 HD12 ILE 36 HD12 ILE 36 -19.673 -7.189 0.936 275 HD13 ILE 36 HD13 ILE 36 -18.985 -6.428 2.370 276 H LEU 37 H LEU 37 -20.414 -3.631 -2.051 277 HA LEU 37 HA LEU 37 -21.964 -1.428 -1.213 278 HB2 LEU 37 HB2 LEU 37 -21.594 -0.579 -3.558 279 HB3 LEU 37 HB3 LEU 37 -20.177 -0.916 -2.594 280 HG LEU 37 HG LEU 37 -20.064 -3.155 -3.841 281 HD11 LEU 37 HD11 LEU 37 -21.920 -1.632 -5.674 282 HD12 LEU 37 HD12 LEU 37 -22.275 -3.146 -4.841 283 HD13 LEU 37 HD13 LEU 37 -21.046 -3.100 -6.104 284 HD21 LEU 37 HD21 LEU 37 -19.617 -0.590 -5.343 285 HD22 LEU 37 HD22 LEU 37 -18.825 -2.135 -5.647 286 HD23 LEU 37 HD23 LEU 37 -18.530 -1.271 -4.137 287 H ALA 38 H ALA 38 -22.861 -4.201 -3.047 288 HA ALA 38 HA ALA 38 -25.211 -2.956 -4.164 289 HB1 ALA 38 HB1 ALA 38 -24.443 -5.861 -4.112 290 HB2 ALA 38 HB2 ALA 38 -24.063 -4.713 -5.396 291 HB3 ALA 38 HB3 ALA 38 -25.742 -5.144 -5.065 292 H HIS 39 H HIS 39 -24.516 -5.121 -1.439 293 HA HIS 39 HA HIS 39 -27.311 -5.626 -0.993 294 HB2 HIS 39 HB2 HIS 39 -24.836 -6.306 0.562 295 HB3 HIS 39 HB3 HIS 39 -26.434 -6.541 1.260 296 HD1 HIS 39 HD1 HIS 39 -27.903 -8.436 0.267 297 HD2 HIS 39 HD2 HIS 39 -24.142 -8.103 -1.472 298 HE1 HIS 39 HE1 HIS 39 -27.599 -10.530 -1.089 299 HE2 HIS 39 HE2 HIS 39 -25.319 -10.303 -2.144 300 H LEU 40 H LEU 40 -24.959 -3.311 0.223 301 HA LEU 40 HA LEU 40 -27.100 -2.191 1.862 302 HB2 LEU 40 HB2 LEU 40 -25.198 -0.510 2.502 303 HB3 LEU 40 HB3 LEU 40 -25.301 -2.086 3.247 304 HG LEU 40 HG LEU 40 -23.573 -2.816 1.479 305 HD11 LEU 40 HD11 LEU 40 -22.062 -0.998 0.757 306 HD12 LEU 40 HD12 LEU 40 -23.257 0.174 1.317 307 HD13 LEU 40 HD13 LEU 40 -23.654 -0.932 -0.001 308 HD21 LEU 40 HD21 LEU 40 -23.098 -2.620 3.852 309 HD22 LEU 40 HD22 LEU 40 -22.821 -0.887 3.670 310 HD23 LEU 40 HD23 LEU 40 -21.738 -2.043 2.894 311 H ASN 41 H ASN 41 -28.357 -1.600 0.069 312 HA ASN 41 HA ASN 41 -27.379 0.418 -1.756 313 HB2 ASN 41 HB2 ASN 41 -29.737 0.376 -2.612 314 HB3 ASN 41 HB3 ASN 41 -28.943 -1.194 -2.625 315 HD21 ASN 41 HD21 ASN 41 -31.477 0.718 -1.265 316 HD22 ASN 41 HD22 ASN 41 -32.252 -0.557 -0.395 317 H THR 42 H THR 42 -27.150 1.131 0.889 318 HA THR 42 HA THR 42 -29.273 3.040 1.483 319 HB THR 42 HB THR 42 -28.575 1.674 3.341 320 HG1 THR 42 HG1 THR 42 -27.433 3.483 4.654 321 HG21 THR 42 HG21 THR 42 -25.763 2.649 2.835 322 HG22 THR 42 HG22 THR 42 -26.369 1.024 2.523 323 HG23 THR 42 HG23 THR 42 -26.274 1.622 4.177 324 H VAL 43 H VAL 43 -26.126 2.836 0.145 325 HA VAL 43 HA VAL 43 -25.955 5.767 0.084 326 HB VAL 43 HB VAL 43 -23.424 5.455 0.053 327 HG11 VAL 43 HG11 VAL 43 -24.911 4.784 2.587 328 HG12 VAL 43 HG12 VAL 43 -24.621 6.405 1.952 329 HG13 VAL 43 HG13 VAL 43 -23.264 5.411 2.482 330 HG21 VAL 43 HG21 VAL 43 -24.167 2.776 1.229 331 HG22 VAL 43 HG22 VAL 43 -22.543 3.459 1.145 332 HG23 VAL 43 HG23 VAL 43 -23.399 3.036 -0.337 333 HA PRO 44 HA PRO 44 -25.630 4.742 -4.290 334 HB2 PRO 44 HB2 PRO 44 -26.208 7.219 -5.198 335 HB3 PRO 44 HB3 PRO 44 -27.460 6.100 -4.650 336 HG2 PRO 44 HG2 PRO 44 -26.261 8.440 -3.251 337 HG3 PRO 44 HG3 PRO 44 -27.932 7.854 -3.231 338 HD2 PRO 44 HD2 PRO 44 -26.073 7.401 -1.233 339 HD3 PRO 44 HD3 PRO 44 -27.517 6.410 -1.512 340 H ARG 45 H ARG 45 -23.371 4.395 -4.166 341 HA ARG 45 HA ARG 45 -21.728 6.783 -4.644 342 HB2 ARG 45 HB2 ARG 45 -21.027 4.520 -2.773 343 HB3 ARG 45 HB3 ARG 45 -19.964 5.850 -3.207 344 HG2 ARG 45 HG2 ARG 45 -21.621 7.408 -2.209 345 HG3 ARG 45 HG3 ARG 45 -22.523 5.997 -1.645 346 HD2 ARG 45 HD2 ARG 45 -20.284 5.260 -0.621 347 HD3 ARG 45 HD3 ARG 45 -19.794 6.934 -0.854 348 HE ARG 45 HE ARG 45 -21.755 5.929 1.037 349 HH11 ARG 45 HH11 ARG 45 -20.346 8.718 -0.532 350 HH12 ARG 45 HH12 ARG 45 -20.778 9.816 0.747 351 HH21 ARG 45 HH21 ARG 45 -22.322 7.376 2.726 352 HH22 ARG 45 HH22 ARG 45 -21.896 9.054 2.588 353 H THR 46 H THR 46 -19.406 6.012 -5.204 354 HA THR 46 HA THR 46 -19.616 4.329 -7.518 355 HB THR 46 HB THR 46 -17.294 4.887 -7.928 356 HG1 THR 46 HG1 THR 46 -16.512 6.479 -6.073 357 HG21 THR 46 HG21 THR 46 -17.427 7.285 -8.045 358 HG22 THR 46 HG22 THR 46 -18.642 7.317 -6.767 359 HG23 THR 46 HG23 THR 46 -19.039 6.628 -8.343 360 H ARG 47 H ARG 47 -17.873 2.623 -7.844 361 HA ARG 47 HA ARG 47 -18.123 0.683 -5.757 362 HB2 ARG 47 HB2 ARG 47 -16.216 0.457 -8.085 363 HB3 ARG 47 HB3 ARG 47 -17.050 -0.830 -7.227 364 HG2 ARG 47 HG2 ARG 47 -18.329 1.171 -9.082 365 HG3 ARG 47 HG3 ARG 47 -17.978 -0.514 -9.448 366 HD2 ARG 47 HD2 ARG 47 -19.566 -1.269 -7.844 367 HD3 ARG 47 HD3 ARG 47 -19.773 0.355 -7.198 368 HE ARG 47 HE ARG 47 -20.766 0.922 -9.411 369 HH11 ARG 47 HH11 ARG 47 -20.758 -2.413 -8.323 370 HH12 ARG 47 HH12 ARG 47 -22.216 -2.815 -9.172 371 HH21 ARG 47 HH21 ARG 47 -22.682 0.385 -10.509 372 HH22 ARG 47 HH22 ARG 47 -23.302 -1.237 -10.413 373 H LYS 48 H LYS 48 -15.897 3.110 -6.635 374 HA LYS 48 HA LYS 48 -13.526 2.104 -5.460 375 HB2 LYS 48 HB2 LYS 48 -13.481 3.845 -7.156 376 HB3 LYS 48 HB3 LYS 48 -14.403 4.924 -6.120 377 HG2 LYS 48 HG2 LYS 48 -12.513 4.904 -4.510 378 HG3 LYS 48 HG3 LYS 48 -11.594 3.945 -5.670 379 HD2 LYS 48 HD2 LYS 48 -10.955 6.257 -5.897 380 HD3 LYS 48 HD3 LYS 48 -11.872 5.781 -7.328 381 HE2 LYS 48 HE2 LYS 48 -13.856 6.854 -6.458 382 HE3 LYS 48 HE3 LYS 48 -13.027 7.235 -4.951 383 HZ1 LYS 48 HZ1 LYS 48 -12.326 8.298 -7.636 384 HZ2 LYS 48 HZ2 LYS 48 -11.514 8.656 -6.198 385 HZ3 LYS 48 HZ3 LYS 48 -13.118 9.150 -6.406 386 H GLN 49 H GLN 49 -16.195 4.063 -4.256 387 HA GLN 49 HA GLN 49 -14.913 5.097 -1.983 388 HB2 GLN 49 HB2 GLN 49 -17.854 4.613 -2.464 389 HB3 GLN 49 HB3 GLN 49 -17.191 5.598 -1.168 390 HG2 GLN 49 HG2 GLN 49 -16.910 6.115 -4.118 391 HG3 GLN 49 HG3 GLN 49 -17.958 6.978 -2.999 392 HE21 GLN 49 HE21 GLN 49 -17.094 8.471 -1.607 393 HE22 GLN 49 HE22 GLN 49 -15.471 9.059 -1.747 394 H ILE 50 H ILE 50 -16.992 2.230 -2.345 395 HA ILE 50 HA ILE 50 -16.948 1.530 0.384 396 HB ILE 50 HB ILE 50 -17.539 -0.053 -2.100 397 HG12 ILE 50 HG12 ILE 50 -19.737 -0.300 -0.687 398 HG13 ILE 50 HG13 ILE 50 -19.102 1.080 0.195 399 HG21 ILE 50 HG21 ILE 50 -18.199 -1.944 -0.630 400 HG22 ILE 50 HG22 ILE 50 -17.402 -1.121 0.712 401 HG23 ILE 50 HG23 ILE 50 -16.461 -1.653 -0.681 402 HD11 ILE 50 HD11 ILE 50 -20.657 1.792 -1.500 403 HD12 ILE 50 HD12 ILE 50 -19.713 0.974 -2.745 404 HD13 ILE 50 HD13 ILE 50 -19.034 2.363 -1.890 405 H ILE 51 H ILE 51 -14.963 0.395 -2.353 406 HA ILE 51 HA ILE 51 -13.328 -1.414 -1.055 407 HB ILE 51 HB ILE 51 -12.429 0.583 -3.139 408 HG12 ILE 51 HG12 ILE 51 -13.477 -2.226 -3.505 409 HG13 ILE 51 HG13 ILE 51 -14.383 -0.753 -3.844 410 HG21 ILE 51 HG21 ILE 51 -10.714 -1.102 -3.680 411 HG22 ILE 51 HG22 ILE 51 -11.241 -2.051 -2.290 412 HG23 ILE 51 HG23 ILE 51 -10.542 -0.450 -2.051 413 HD11 ILE 51 HD11 ILE 51 -11.840 -1.599 -5.206 414 HD12 ILE 51 HD12 ILE 51 -12.777 -0.146 -5.560 415 HD13 ILE 51 HD13 ILE 51 -13.467 -1.738 -5.870 416 H HIS 52 H HIS 52 -13.025 2.084 -1.287 417 HA HIS 52 HA HIS 52 -10.452 2.248 -0.167 418 HB2 HIS 52 HB2 HIS 52 -12.534 4.158 -0.995 419 HB3 HIS 52 HB3 HIS 52 -11.393 4.748 0.208 420 HD1 HIS 52 HD1 HIS 52 -9.747 6.126 -1.028 421 HD2 HIS 52 HD2 HIS 52 -10.642 2.600 -3.054 422 HE1 HIS 52 HE1 HIS 52 -8.202 6.070 -3.006 423 HE2 HIS 52 HE2 HIS 52 -8.636 3.852 -4.107 424 H HIS 53 H HIS 53 -13.651 2.874 1.359 425 HA HIS 53 HA HIS 53 -12.554 3.724 3.819 426 HB2 HIS 53 HB2 HIS 53 -15.218 2.417 3.276 427 HB3 HIS 53 HB3 HIS 53 -14.768 3.142 4.811 428 HD1 HIS 53 HD1 HIS 53 -13.663 5.802 4.065 429 HD2 HIS 53 HD2 HIS 53 -16.933 4.104 2.135 430 HE1 HIS 53 HE1 HIS 53 -14.872 7.718 2.989 431 HE2 HIS 53 HE2 HIS 53 -16.739 6.656 1.681 432 H LEU 54 H LEU 54 -12.970 0.569 2.500 433 HA LEU 54 HA LEU 54 -12.933 -0.753 5.064 434 HB2 LEU 54 HB2 LEU 54 -13.011 -1.728 2.224 435 HB3 LEU 54 HB3 LEU 54 -12.804 -2.833 3.567 436 HG LEU 54 HG LEU 54 -15.158 -0.960 3.294 437 HD11 LEU 54 HD11 LEU 54 -15.205 -2.512 1.453 438 HD12 LEU 54 HD12 LEU 54 -16.426 -2.974 2.640 439 HD13 LEU 54 HD13 LEU 54 -14.909 -3.867 2.543 440 HD21 LEU 54 HD21 LEU 54 -14.734 -3.381 5.048 441 HD22 LEU 54 HD22 LEU 54 -16.167 -2.358 5.002 442 HD23 LEU 54 HD23 LEU 54 -14.638 -1.704 5.585 443 H VAL 55 H VAL 55 -10.711 -0.453 2.294 444 HA VAL 55 HA VAL 55 -8.650 -1.943 3.596 445 HB VAL 55 HB VAL 55 -7.202 -1.324 1.808 446 HG11 VAL 55 HG11 VAL 55 -8.876 -2.954 1.235 447 HG12 VAL 55 HG12 VAL 55 -8.557 -1.924 -0.159 448 HG13 VAL 55 HG13 VAL 55 -10.016 -1.680 0.801 449 HG21 VAL 55 HG21 VAL 55 -9.226 0.782 1.064 450 HG22 VAL 55 HG22 VAL 55 -7.801 0.348 0.116 451 HG23 VAL 55 HG23 VAL 55 -7.611 1.062 1.717 452 H GLN 56 H GLN 56 -9.675 1.344 3.612 453 HA GLN 56 HA GLN 56 -7.295 2.359 4.860 454 HB2 GLN 56 HB2 GLN 56 -9.986 3.469 4.179 455 HB3 GLN 56 HB3 GLN 56 -8.951 4.344 5.286 456 HG2 GLN 56 HG2 GLN 56 -7.190 4.400 3.570 457 HG3 GLN 56 HG3 GLN 56 -8.271 3.556 2.464 458 HE21 GLN 56 HE21 GLN 56 -10.056 4.634 1.641 459 HE22 GLN 56 HE22 GLN 56 -10.184 6.358 1.658 460 H MET 57 H MET 57 -10.117 0.735 5.910 461 HA MET 57 HA MET 57 -10.027 1.810 8.590 462 HB2 MET 57 HB2 MET 57 -12.119 0.946 7.339 463 HB3 MET 57 HB3 MET 57 -11.546 -0.654 7.788 464 HG2 MET 57 HG2 MET 57 -11.624 -0.015 10.149 465 HG3 MET 57 HG3 MET 57 -12.211 1.581 9.691 466 HE1 MET 57 HE1 MET 57 -14.488 1.867 8.219 467 HE2 MET 57 HE2 MET 57 -15.677 0.581 8.013 468 HE3 MET 57 HE3 MET 57 -14.138 0.503 7.157 469 H GLY 58 H GLY 58 -8.270 -0.436 6.880 470 HA2 GLY 58 HA2 GLY 58 -6.416 -1.599 7.685 471 HA3 GLY 58 HA3 GLY 58 -6.993 -1.338 9.323 472 H LEU 59 H LEU 59 -9.596 -2.442 7.697 473 HA LEU 59 HA LEU 59 -9.239 -5.094 8.804 474 HB2 LEU 59 HB2 LEU 59 -11.629 -5.412 8.153 475 HB3 LEU 59 HB3 LEU 59 -11.333 -4.111 9.287 476 HG LEU 59 HG LEU 59 -11.365 -2.593 7.175 477 HD11 LEU 59 HD11 LEU 59 -11.380 -4.405 5.540 478 HD12 LEU 59 HD12 LEU 59 -12.813 -3.387 5.407 479 HD13 LEU 59 HD13 LEU 59 -12.924 -4.967 6.183 480 HD21 LEU 59 HD21 LEU 59 -13.783 -2.338 7.400 481 HD22 LEU 59 HD22 LEU 59 -12.991 -2.498 8.967 482 HD23 LEU 59 HD23 LEU 59 -13.857 -3.868 8.272 483 H ALA 60 H ALA 60 -9.140 -3.532 5.748 484 HA ALA 60 HA ALA 60 -8.847 -6.169 4.453 485 HB1 ALA 60 HB1 ALA 60 -9.228 -4.955 2.311 486 HB2 ALA 60 HB2 ALA 60 -9.601 -3.509 3.249 487 HB3 ALA 60 HB3 ALA 60 -10.617 -4.943 3.399 488 H ASP 61 H ASP 61 -7.219 -6.235 2.707 489 HA ASP 61 HA ASP 61 -4.709 -5.267 3.655 490 HB2 ASP 61 HB2 ASP 61 -4.900 -7.414 2.477 491 HB3 ASP 61 HB3 ASP 61 -5.436 -6.574 1.024 492 H SER 62 H SER 62 -6.286 -4.789 0.501 493 HA SER 62 HA SER 62 -5.729 -1.997 0.448 494 HB2 SER 62 HB2 SER 62 -4.150 -2.090 -1.438 495 HB3 SER 62 HB3 SER 62 -3.476 -2.791 0.028 496 HG SER 62 HG SER 62 -3.661 -4.788 -0.810 497 H VAL 63 H VAL 63 -5.945 -1.267 -1.999 498 HA VAL 63 HA VAL 63 -8.601 -1.728 -2.705 499 HB VAL 63 HB VAL 63 -6.283 -0.374 -4.013 500 HG11 VAL 63 HG11 VAL 63 -7.305 -1.474 -5.923 501 HG12 VAL 63 HG12 VAL 63 -7.678 0.249 -5.954 502 HG13 VAL 63 HG13 VAL 63 -8.900 -0.907 -5.424 503 HG21 VAL 63 HG21 VAL 63 -9.069 0.508 -3.281 504 HG22 VAL 63 HG22 VAL 63 -7.781 1.549 -3.892 505 HG23 VAL 63 HG23 VAL 63 -7.612 0.766 -2.319 506 H LYS 64 H LYS 64 -5.636 -3.236 -3.764 507 HA LYS 64 HA LYS 64 -6.615 -4.411 -6.119 508 HB2 LYS 64 HB2 LYS 64 -4.281 -5.089 -4.364 509 HB3 LYS 64 HB3 LYS 64 -4.618 -5.935 -5.844 510 HG2 LYS 64 HG2 LYS 64 -3.072 -4.414 -6.564 511 HG3 LYS 64 HG3 LYS 64 -4.570 -3.555 -6.899 512 HD2 LYS 64 HD2 LYS 64 -2.866 -2.107 -5.869 513 HD3 LYS 64 HD3 LYS 64 -4.315 -2.247 -4.874 514 HE2 LYS 64 HE2 LYS 64 -2.195 -2.367 -3.585 515 HE3 LYS 64 HE3 LYS 64 -3.220 -3.783 -3.387 516 HZ1 LYS 64 HZ1 LYS 64 -0.839 -4.301 -3.691 517 HZ2 LYS 64 HZ2 LYS 64 -0.910 -3.652 -5.250 518 HZ3 LYS 64 HZ3 LYS 64 -1.822 -5.016 -4.861 519 H ASP 65 H ASP 65 -7.102 -5.253 -2.841 520 HA ASP 65 HA ASP 65 -7.507 -8.060 -3.236 521 HB2 ASP 65 HB2 ASP 65 -6.918 -7.119 -1.031 522 HB3 ASP 65 HB3 ASP 65 -8.456 -6.265 -0.989 523 H PHE 66 H PHE 66 -9.490 -5.190 -3.367 524 HA PHE 66 HA PHE 66 -11.944 -6.710 -3.811 525 HB2 PHE 66 HB2 PHE 66 -11.431 -3.722 -3.930 526 HB3 PHE 66 HB3 PHE 66 -13.005 -4.493 -4.019 527 HD1 PHE 66 HD1 PHE 66 -10.055 -4.654 -1.741 528 HD2 PHE 66 HD2 PHE 66 -14.265 -4.211 -2.135 529 HE1 PHE 66 HE1 PHE 66 -10.259 -4.434 0.691 530 HE2 PHE 66 HE2 PHE 66 -14.475 -4.007 0.294 531 HZ PHE 66 HZ PHE 66 -12.467 -4.108 1.717 532 H GLN 67 H GLN 67 -9.840 -4.416 -5.420 533 HA GLN 67 HA GLN 67 -10.506 -5.492 -8.047 534 HB2 GLN 67 HB2 GLN 67 -10.766 -2.583 -7.232 535 HB3 GLN 67 HB3 GLN 67 -10.695 -3.120 -8.911 536 HG2 GLN 67 HG2 GLN 67 -12.730 -4.499 -8.473 537 HG3 GLN 67 HG3 GLN 67 -12.826 -3.748 -6.878 538 HE21 GLN 67 HE21 GLN 67 -14.789 -2.779 -7.303 539 HE22 GLN 67 HE22 GLN 67 -14.965 -1.454 -8.392 540 H ARG 68 H ARG 68 -8.523 -6.063 -8.771 541 HA ARG 68 HA ARG 68 -6.121 -4.962 -7.832 542 HB2 ARG 68 HB2 ARG 68 -6.259 -7.222 -8.781 543 HB3 ARG 68 HB3 ARG 68 -6.618 -6.540 -10.360 544 HG2 ARG 68 HG2 ARG 68 -4.448 -5.598 -10.543 545 HG3 ARG 68 HG3 ARG 68 -4.083 -5.952 -8.854 546 HD2 ARG 68 HD2 ARG 68 -4.602 -8.021 -10.988 547 HD3 ARG 68 HD3 ARG 68 -3.006 -7.528 -10.420 548 HE ARG 68 HE ARG 68 -4.741 -8.404 -8.307 549 HH11 ARG 68 HH11 ARG 68 -2.542 -9.502 -10.794 550 HH12 ARG 68 HH12 ARG 68 -2.099 -10.945 -9.940 551 HH21 ARG 68 HH21 ARG 68 -4.163 -10.283 -7.174 552 HH22 ARG 68 HH22 ARG 68 -3.021 -11.388 -7.869 553 H LYS 69 H LYS 69 -6.539 -2.732 -8.035 554 HA LYS 69 HA LYS 69 -6.594 -1.504 -10.611 555 HB2 LYS 69 HB2 LYS 69 -7.325 -0.601 -8.215 556 HB3 LYS 69 HB3 LYS 69 -5.656 -0.058 -8.169 557 HG2 LYS 69 HG2 LYS 69 -7.614 0.654 -10.341 558 HG3 LYS 69 HG3 LYS 69 -7.274 1.660 -8.935 559 HD2 LYS 69 HD2 LYS 69 -4.914 1.793 -9.630 560 HD3 LYS 69 HD3 LYS 69 -5.298 0.833 -11.062 561 HE2 LYS 69 HE2 LYS 69 -6.857 2.554 -11.808 562 HE3 LYS 69 HE3 LYS 69 -6.510 3.504 -10.366 563 HZ1 LYS 69 HZ1 LYS 69 -5.264 4.360 -12.200 564 HZ2 LYS 69 HZ2 LYS 69 -4.606 2.843 -12.541 565 HZ3 LYS 69 HZ3 LYS 69 -4.183 3.643 -11.116 566 H GLY 70 H GLY 70 -4.949 -2.129 -11.817 567 HA2 GLY 70 HA2 GLY 70 -2.449 -2.855 -11.406 568 HA3 GLY 70 HA3 GLY 70 -2.828 -1.738 -12.707 569 H THR 71 H THR 71 -0.832 -2.244 -10.197 570 HA THR 71 HA THR 71 -1.046 0.027 -8.615 571 HB THR 71 HB THR 71 1.539 -0.661 -8.241 572 HG1 THR 71 HG1 THR 71 1.908 -2.482 -9.275 573 HG21 THR 71 HG21 THR 71 -0.978 -1.992 -7.231 574 HG22 THR 71 HG22 THR 71 -0.175 -0.575 -6.547 575 HG23 THR 71 HG23 THR 71 0.611 -2.156 -6.476 576 H HIS 72 H HIS 72 -0.415 1.979 -8.732 577 HA HIS 72 HA HIS 72 0.886 3.086 -11.017 578 HB2 HIS 72 HB2 HIS 72 0.634 5.198 -9.857 579 HB3 HIS 72 HB3 HIS 72 -0.845 4.274 -9.656 580 HD1 HIS 72 HD1 HIS 72 -0.992 2.997 -7.221 581 HD2 HIS 72 HD2 HIS 72 1.714 6.124 -7.562 582 HE1 HIS 72 HE1 HIS 72 -0.326 3.587 -4.880 583 HE2 HIS 72 HE2 HIS 72 0.976 5.714 -5.115 584 H ILE 73 H ILE 73 2.499 1.102 -9.629 585 HA ILE 73 HA ILE 73 4.259 2.373 -7.827 586 HB ILE 73 HB ILE 73 4.239 -0.290 -9.119 587 HG12 ILE 73 HG12 ILE 73 3.102 0.243 -6.950 588 HG13 ILE 73 HG13 ILE 73 4.267 -1.081 -6.867 589 HG21 ILE 73 HG21 ILE 73 6.499 0.075 -9.486 590 HG22 ILE 73 HG22 ILE 73 6.458 -0.736 -7.918 591 HG23 ILE 73 HG23 ILE 73 6.669 1.014 -8.007 592 HD11 ILE 73 HD11 ILE 73 4.719 1.753 -5.965 593 HD12 ILE 73 HD12 ILE 73 5.926 0.467 -5.936 594 HD13 ILE 73 HD13 ILE 73 4.478 0.342 -4.936 595 H VAL 74 H VAL 74 5.379 4.015 -8.456 596 HA VAL 74 HA VAL 74 7.066 4.323 -10.602 597 HB VAL 74 HB VAL 74 7.230 6.125 -9.197 598 HG11 VAL 74 HG11 VAL 74 5.845 5.368 -7.428 599 HG12 VAL 74 HG12 VAL 74 7.354 5.884 -6.676 600 HG13 VAL 74 HG13 VAL 74 7.034 4.167 -6.921 601 HG21 VAL 74 HG21 VAL 74 9.354 6.241 -8.111 602 HG22 VAL 74 HG22 VAL 74 9.540 5.230 -9.544 603 HG23 VAL 74 HG23 VAL 74 9.425 4.486 -7.946 604 H LEU 75 H LEU 75 8.776 3.109 -11.330 605 HA LEU 75 HA LEU 75 8.848 0.458 -10.643 606 HB2 LEU 75 HB2 LEU 75 10.820 0.243 -12.023 607 HB3 LEU 75 HB3 LEU 75 9.668 1.330 -12.771 608 HG LEU 75 HG LEU 75 11.199 3.134 -11.502 609 HD11 LEU 75 HD11 LEU 75 12.732 1.503 -10.563 610 HD12 LEU 75 HD12 LEU 75 13.560 2.507 -11.753 611 HD13 LEU 75 HD13 LEU 75 13.071 0.865 -12.172 612 HD21 LEU 75 HD21 LEU 75 10.610 3.132 -13.867 613 HD22 LEU 75 HD22 LEU 75 11.813 1.880 -14.174 614 HD23 LEU 75 HD23 LEU 75 12.323 3.481 -13.639 615 H TRP 76 H TRP 76 9.989 -0.842 -9.372 616 HA TRP 76 HA TRP 76 11.905 0.395 -7.518 617 HB2 TRP 76 HB2 TRP 76 9.551 -1.354 -6.980 618 HB3 TRP 76 HB3 TRP 76 10.952 -1.504 -5.941 619 HD1 TRP 76 HD1 TRP 76 7.974 0.670 -6.596 620 HE1 TRP 76 HE1 TRP 76 7.885 2.553 -4.864 621 HE3 TRP 76 HE3 TRP 76 12.602 0.049 -4.578 622 HZ2 TRP 76 HZ2 TRP 76 9.604 3.634 -2.867 623 HZ3 TRP 76 HZ3 TRP 76 13.315 1.564 -2.777 624 HH2 TRP 76 HH2 TRP 76 11.849 3.302 -1.939 625 H THR 77 H THR 77 13.706 -0.754 -7.051 626 HA THR 77 HA THR 77 13.890 -3.526 -8.021 627 HB THR 77 HB THR 77 16.288 -3.156 -8.434 628 HG1 THR 77 HG1 THR 77 16.860 -0.764 -8.463 629 HG21 THR 77 HG21 THR 77 14.559 -1.109 -9.826 630 HG22 THR 77 HG22 THR 77 14.759 -2.792 -10.308 631 HG23 THR 77 HG23 THR 77 16.126 -1.682 -10.396 632 H GLY 78 H GLY 78 15.440 -4.836 -6.689 633 HA2 GLY 78 HA2 GLY 78 14.994 -4.572 -3.933 634 HA3 GLY 78 HA3 GLY 78 16.245 -5.571 -4.662 635 H ASP 79 H ASP 79 17.595 -3.405 -5.966 636 HA ASP 79 HA ASP 79 19.243 -2.498 -3.822 637 HB2 ASP 79 HB2 ASP 79 19.200 -1.747 -6.753 638 HB3 ASP 79 HB3 ASP 79 20.426 -1.208 -5.611 639 H GLN 80 H GLN 80 16.590 -1.150 -5.652 640 HA GLN 80 HA GLN 80 16.983 1.538 -4.730 641 HB2 GLN 80 HB2 GLN 80 15.683 0.806 -6.827 642 HB3 GLN 80 HB3 GLN 80 14.380 0.392 -5.724 643 HG2 GLN 80 HG2 GLN 80 14.212 2.663 -4.972 644 HG3 GLN 80 HG3 GLN 80 15.613 3.125 -5.941 645 HE21 GLN 80 HE21 GLN 80 12.265 2.260 -5.970 646 HE22 GLN 80 HE22 GLN 80 11.938 2.709 -7.610 647 H GLU 81 H GLU 81 15.155 -1.273 -3.693 648 HA GLU 81 HA GLU 81 13.518 -0.043 -1.783 649 HB2 GLU 81 HB2 GLU 81 14.625 -2.847 -1.809 650 HB3 GLU 81 HB3 GLU 81 13.336 -2.283 -0.748 651 HG2 GLU 81 HG2 GLU 81 12.051 -1.664 -2.816 652 HG3 GLU 81 HG3 GLU 81 13.284 -2.513 -3.744 653 H LEU 82 H LEU 82 16.825 -1.231 -1.560 654 HA LEU 82 HA LEU 82 16.963 -0.489 1.226 655 HB2 LEU 82 HB2 LEU 82 19.275 -1.215 1.136 656 HB3 LEU 82 HB3 LEU 82 18.207 -2.419 0.450 657 HG LEU 82 HG LEU 82 18.900 -1.296 -1.828 658 HD11 LEU 82 HD11 LEU 82 21.276 -0.683 -0.071 659 HD12 LEU 82 HD12 LEU 82 20.205 0.511 -0.805 660 HD13 LEU 82 HD13 LEU 82 21.203 -0.523 -1.827 661 HD21 LEU 82 HD21 LEU 82 20.702 -2.941 -2.001 662 HD22 LEU 82 HD22 LEU 82 19.274 -3.612 -1.216 663 HD23 LEU 82 HD23 LEU 82 20.674 -3.148 -0.250 664 H GLU 83 H GLU 83 17.574 0.992 -1.831 665 HA GLU 83 HA GLU 83 19.391 2.987 -0.999 666 HB2 GLU 83 HB2 GLU 83 18.953 2.441 -3.376 667 HB3 GLU 83 HB3 GLU 83 17.346 3.132 -3.221 668 HG2 GLU 83 HG2 GLU 83 18.209 5.310 -2.917 669 HG3 GLU 83 HG3 GLU 83 19.851 4.708 -2.708 670 H LEU 84 H LEU 84 15.864 3.184 -1.540 671 HA LEU 84 HA LEU 84 15.663 5.739 -0.309 672 HB2 LEU 84 HB2 LEU 84 14.026 4.897 -1.969 673 HB3 LEU 84 HB3 LEU 84 13.478 3.710 -0.800 674 HG LEU 84 HG LEU 84 12.574 5.421 0.630 675 HD11 LEU 84 HD11 LEU 84 14.270 7.116 0.379 676 HD12 LEU 84 HD12 LEU 84 12.687 7.798 0.012 677 HD13 LEU 84 HD13 LEU 84 13.794 7.387 -1.296 678 HD21 LEU 84 HD21 LEU 84 11.048 6.625 -1.055 679 HD22 LEU 84 HD22 LEU 84 10.981 4.869 -0.972 680 HD23 LEU 84 HD23 LEU 84 11.873 5.655 -2.275 681 H GLN 85 H GLN 85 15.624 2.491 0.846 682 HA GLN 85 HA GLN 85 14.444 2.813 3.362 683 HB2 GLN 85 HB2 GLN 85 15.102 0.666 2.210 684 HB3 GLN 85 HB3 GLN 85 16.764 1.010 2.650 685 HG2 GLN 85 HG2 GLN 85 14.663 0.835 4.760 686 HG3 GLN 85 HG3 GLN 85 15.354 -0.628 4.067 687 HE21 GLN 85 HE21 GLN 85 17.614 -0.989 4.298 688 HE22 GLN 85 HE22 GLN 85 18.480 -0.275 5.616 689 H ARG 86 H ARG 86 17.884 2.974 2.435 690 HA ARG 86 HA ARG 86 18.687 3.863 5.030 691 HB2 ARG 86 HB2 ARG 86 20.236 3.993 2.445 692 HB3 ARG 86 HB3 ARG 86 20.899 4.104 4.068 693 HG2 ARG 86 HG2 ARG 86 19.952 1.766 4.438 694 HG3 ARG 86 HG3 ARG 86 19.741 1.709 2.687 695 HD2 ARG 86 HD2 ARG 86 21.852 0.697 3.265 696 HD3 ARG 86 HD3 ARG 86 22.144 2.220 2.421 697 HE ARG 86 HE ARG 86 22.162 2.169 5.350 698 HH11 ARG 86 HH11 ARG 86 23.901 2.578 2.342 699 HH12 ARG 86 HH12 ARG 86 25.284 3.303 3.098 700 HH21 ARG 86 HH21 ARG 86 23.985 3.124 6.340 701 HH22 ARG 86 HH22 ARG 86 25.333 3.606 5.359 702 H LEU 87 H LEU 87 18.129 5.428 1.914 703 HA LEU 87 HA LEU 87 18.945 8.027 2.458 704 HB2 LEU 87 HB2 LEU 87 18.086 7.080 0.282 705 HB3 LEU 87 HB3 LEU 87 16.466 7.220 0.928 706 HG LEU 87 HG LEU 87 17.096 9.750 1.203 707 HD11 LEU 87 HD11 LEU 87 19.465 9.436 0.557 708 HD12 LEU 87 HD12 LEU 87 18.604 10.572 -0.486 709 HD13 LEU 87 HD13 LEU 87 18.924 8.931 -1.048 710 HD21 LEU 87 HD21 LEU 87 15.332 8.877 -0.218 711 HD22 LEU 87 HD22 LEU 87 16.519 8.471 -1.457 712 HD23 LEU 87 HD23 LEU 87 16.224 10.157 -1.039 713 H PHE 88 H PHE 88 15.866 6.443 3.120 714 HA PHE 88 HA PHE 88 14.478 8.479 4.361 715 HB2 PHE 88 HB2 PHE 88 13.206 6.621 3.895 716 HB3 PHE 88 HB3 PHE 88 14.443 5.502 4.433 717 HD1 PHE 88 HD1 PHE 88 12.054 8.029 5.789 718 HD2 PHE 88 HD2 PHE 88 14.154 4.379 6.379 719 HE1 PHE 88 HE1 PHE 88 10.805 7.647 7.877 720 HE2 PHE 88 HE2 PHE 88 12.915 3.990 8.458 721 HZ PHE 88 HZ PHE 88 11.241 5.624 9.213 722 H GLU 89 H GLU 89 16.456 5.960 6.015 723 HA GLU 89 HA GLU 89 16.135 7.014 8.589 724 HB2 GLU 89 HB2 GLU 89 18.527 5.522 7.516 725 HB3 GLU 89 HB3 GLU 89 18.113 5.724 9.210 726 HG2 GLU 89 HG2 GLU 89 15.948 4.526 8.664 727 HG3 GLU 89 HG3 GLU 89 16.708 4.108 7.126 728 H GLU 90 H GLU 90 18.672 7.543 6.207 729 HA GLU 90 HA GLU 90 20.444 9.052 7.690 730 HB2 GLU 90 HB2 GLU 90 19.765 8.876 4.790 731 HB3 GLU 90 HB3 GLU 90 20.925 10.090 5.329 732 HG2 GLU 90 HG2 GLU 90 21.142 7.121 5.796 733 HG3 GLU 90 HG3 GLU 90 21.998 8.028 4.548 734 H PHE 91 H PHE 91 17.495 10.123 6.049 735 HA PHE 91 HA PHE 91 18.182 12.868 6.811 736 HB2 PHE 91 HB2 PHE 91 16.346 11.814 4.674 737 HB3 PHE 91 HB3 PHE 91 16.407 13.513 5.137 738 HD1 PHE 91 HD1 PHE 91 17.708 11.086 2.961 739 HD2 PHE 91 HD2 PHE 91 18.821 14.559 5.154 740 HE1 PHE 91 HE1 PHE 91 19.628 11.413 1.460 741 HE2 PHE 91 HE2 PHE 91 20.742 14.894 3.650 742 HZ PHE 91 HZ PHE 91 21.149 13.317 1.802 743 H ARG 92 H ARG 92 16.581 10.513 8.275 744 HA ARG 92 HA ARG 92 14.189 11.881 9.085 745 HB2 ARG 92 HB2 ARG 92 15.753 9.777 10.604 746 HB3 ARG 92 HB3 ARG 92 14.116 10.306 10.964 747 HG2 ARG 92 HG2 ARG 92 13.390 9.458 8.775 748 HG3 ARG 92 HG3 ARG 92 15.034 8.885 8.491 749 HD2 ARG 92 HD2 ARG 92 13.752 7.026 9.254 750 HD3 ARG 92 HD3 ARG 92 14.818 7.505 10.571 751 HE ARG 92 HE ARG 92 12.332 8.800 10.854 752 HH11 ARG 92 HH11 ARG 92 13.819 5.647 11.209 753 HH12 ARG 92 HH12 ARG 92 12.629 5.068 12.330 754 HH21 ARG 92 HH21 ARG 92 10.762 8.033 12.344 755 HH22 ARG 92 HH22 ARG 92 10.895 6.420 12.980 756 H ASP 93 H ASP 93 17.434 12.298 9.598 757 HA ASP 93 HA ASP 93 17.498 13.500 12.157 758 HB2 ASP 93 HB2 ASP 93 19.419 12.585 10.771 759 HB3 ASP 93 HB3 ASP 93 19.317 14.058 9.812 760 H SER 94 H SER 94 16.246 14.468 9.159 761 HA SER 94 HA SER 94 16.313 17.315 9.874 762 HB2 SER 94 HB2 SER 94 17.188 16.601 7.613 763 HB3 SER 94 HB3 SER 94 15.552 16.086 7.212 764 HG SER 94 HG SER 94 16.434 18.713 7.835 765 H ASP 95 H ASP 95 14.262 18.501 9.197 766 HA ASP 95 HA ASP 95 12.109 17.455 10.698 767 HB2 ASP 95 HB2 ASP 95 12.107 19.788 8.767 768 HB3 ASP 95 HB3 ASP 95 10.893 19.464 9.999 769 H ASP 96 H ASP 96 12.527 17.970 7.206 770 HA ASP 96 HA ASP 96 10.271 16.127 6.774 771 HB2 ASP 96 HB2 ASP 96 9.831 18.382 5.891 772 HB3 ASP 96 HB3 ASP 96 11.303 18.301 4.933 773 H VAL 97 H VAL 97 11.255 14.199 6.628 774 HA VAL 97 HA VAL 97 13.803 13.840 5.455 775 HB VAL 97 HB VAL 97 12.991 12.245 7.123 776 HG11 VAL 97 HG11 VAL 97 10.637 12.143 6.570 777 HG12 VAL 97 HG12 VAL 97 11.349 10.525 6.538 778 HG13 VAL 97 HG13 VAL 97 11.015 11.373 5.027 779 HG21 VAL 97 HG21 VAL 97 13.613 10.162 5.964 780 HG22 VAL 97 HG22 VAL 97 14.711 11.498 5.628 781 HG23 VAL 97 HG23 VAL 97 13.513 11.019 4.427 782 H LEU 98 H LEU 98 10.515 13.558 4.201 783 HA LEU 98 HA LEU 98 11.307 12.236 1.809 784 HB2 LEU 98 HB2 LEU 98 8.776 13.747 2.408 785 HB3 LEU 98 HB3 LEU 98 9.044 12.755 0.989 786 HG LEU 98 HG LEU 98 9.575 10.959 2.927 787 HD11 LEU 98 HD11 LEU 98 7.851 11.176 4.660 788 HD12 LEU 98 HD12 LEU 98 7.460 12.784 4.048 789 HD13 LEU 98 HD13 LEU 98 9.050 12.467 4.741 790 HD21 LEU 98 HD21 LEU 98 6.860 11.633 1.809 791 HD22 LEU 98 HD22 LEU 98 7.330 10.089 2.520 792 HD23 LEU 98 HD23 LEU 98 8.091 10.641 1.027 793 H GLY 99 H GLY 99 10.936 15.563 2.785 794 HA2 GLY 99 HA2 GLY 99 11.115 16.802 0.274 795 HA3 GLY 99 HA3 GLY 99 11.681 17.500 1.793 796 H HIS 100 H HIS 100 13.672 15.782 2.508 797 HA HIS 100 HA HIS 100 15.773 16.537 0.722 798 HB2 HIS 100 HB2 HIS 100 15.691 14.903 3.248 799 HB3 HIS 100 HB3 HIS 100 17.160 15.018 2.283 800 HD1 HIS 100 HD1 HIS 100 18.605 17.023 2.662 801 HD2 HIS 100 HD2 HIS 100 14.793 17.499 4.256 802 HE1 HIS 100 HE1 HIS 100 18.678 19.172 3.961 803 HE2 HIS 100 HE2 HIS 100 16.392 19.390 5.001 804 H ILE 101 H ILE 101 14.002 13.582 1.421 805 HA ILE 101 HA ILE 101 15.439 11.714 0.008 806 HB ILE 101 HB ILE 101 12.486 12.060 0.392 807 HG12 ILE 101 HG12 ILE 101 14.438 9.961 1.362 808 HG13 ILE 101 HG13 ILE 101 13.896 11.347 2.300 809 HG21 ILE 101 HG21 ILE 101 13.802 9.836 -1.146 810 HG22 ILE 101 HG22 ILE 101 12.634 11.008 -1.757 811 HG23 ILE 101 HG23 ILE 101 12.139 9.808 -0.563 812 HD11 ILE 101 HD11 ILE 101 12.031 9.240 1.247 813 HD12 ILE 101 HD12 ILE 101 11.693 10.488 2.443 814 HD13 ILE 101 HD13 ILE 101 12.790 9.167 2.835 815 H MET 102 H MET 102 12.786 13.702 -1.317 816 HA MET 102 HA MET 102 13.015 12.805 -3.947 817 HB2 MET 102 HB2 MET 102 11.999 15.424 -2.857 818 HB3 MET 102 HB3 MET 102 11.833 14.939 -4.540 819 HG2 MET 102 HG2 MET 102 10.571 12.955 -3.811 820 HG3 MET 102 HG3 MET 102 10.677 13.529 -2.148 821 HE1 MET 102 HE1 MET 102 8.051 12.774 -3.839 822 HE2 MET 102 HE2 MET 102 6.936 14.032 -3.302 823 HE3 MET 102 HE3 MET 102 7.991 13.230 -2.138 824 H LYS 103 H LYS 103 14.653 15.453 -2.311 825 HA LYS 103 HA LYS 103 15.712 16.524 -4.763 826 HB2 LYS 103 HB2 LYS 103 16.375 17.169 -1.885 827 HB3 LYS 103 HB3 LYS 103 16.957 18.067 -3.277 828 HG2 LYS 103 HG2 LYS 103 14.080 17.779 -2.434 829 HG3 LYS 103 HG3 LYS 103 15.093 19.207 -2.217 830 HD2 LYS 103 HD2 LYS 103 15.312 19.417 -4.646 831 HD3 LYS 103 HD3 LYS 103 14.310 17.983 -4.864 832 HE2 LYS 103 HE2 LYS 103 12.970 19.961 -5.205 833 HE3 LYS 103 HE3 LYS 103 12.452 19.143 -3.732 834 HZ1 LYS 103 HZ1 LYS 103 12.594 21.543 -3.440 835 HZ2 LYS 103 HZ2 LYS 103 14.236 21.516 -3.836 836 HZ3 LYS 103 HZ3 LYS 103 13.692 20.745 -2.435 837 H ASN 104 H ASN 104 16.727 14.186 -2.427 838 HA ASN 104 HA ASN 104 19.481 14.317 -3.455 839 HB2 ASN 104 HB2 ASN 104 18.445 13.228 -0.834 840 HB3 ASN 104 HB3 ASN 104 20.124 13.148 -1.356 841 HD21 ASN 104 HD21 ASN 104 20.177 15.773 -2.561 842 HD22 ASN 104 HD22 ASN 104 20.138 16.912 -1.262 843 H ILE 105 H ILE 105 16.788 12.582 -4.060 844 HA ILE 105 HA ILE 105 18.323 10.094 -4.380 845 HB ILE 105 HB ILE 105 16.173 9.938 -3.077 846 HG12 ILE 105 HG12 ILE 105 16.294 8.257 -5.578 847 HG13 ILE 105 HG13 ILE 105 17.303 8.014 -4.165 848 HG21 ILE 105 HG21 ILE 105 14.776 11.423 -4.397 849 HG22 ILE 105 HG22 ILE 105 14.074 9.805 -4.362 850 HG23 ILE 105 HG23 ILE 105 14.939 10.358 -5.793 851 HD11 ILE 105 HD11 ILE 105 14.312 7.769 -4.266 852 HD12 ILE 105 HD12 ILE 105 15.307 7.559 -2.827 853 HD13 ILE 105 HD13 ILE 105 15.473 6.442 -4.181 854 H THR 106 H THR 106 17.984 8.856 -6.276 855 HA THR 106 HA THR 106 18.258 10.450 -8.626 856 HB THR 106 HB THR 106 19.559 8.376 -8.039 857 HG1 THR 106 HG1 THR 106 18.364 7.924 -10.552 858 HG21 THR 106 HG21 THR 106 17.735 6.950 -7.304 859 HG22 THR 106 HG22 THR 106 18.582 6.203 -8.659 860 HG23 THR 106 HG23 THR 106 17.024 6.988 -8.918 861 H ALA 107 H ALA 107 15.646 8.846 -7.078 862 HA ALA 107 HA ALA 107 14.150 8.585 -9.593 863 HB1 ALA 107 HB1 ALA 107 14.196 6.619 -8.142 864 HB2 ALA 107 HB2 ALA 107 12.556 7.250 -8.302 865 HB3 ALA 107 HB3 ALA 107 13.481 7.562 -6.833 866 H LYS 108 H LYS 108 12.592 9.990 -10.131 867 HA LYS 108 HA LYS 108 11.833 12.012 -8.159 868 HB2 LYS 108 HB2 LYS 108 11.137 11.977 -11.095 869 HB3 LYS 108 HB3 LYS 108 11.080 13.347 -9.998 870 HG2 LYS 108 HG2 LYS 108 13.659 11.964 -10.641 871 HG3 LYS 108 HG3 LYS 108 12.999 13.216 -11.687 872 HD2 LYS 108 HD2 LYS 108 14.486 14.360 -10.303 873 HD3 LYS 108 HD3 LYS 108 12.918 14.669 -9.573 874 HE2 LYS 108 HE2 LYS 108 13.331 13.184 -7.800 875 HE3 LYS 108 HE3 LYS 108 14.685 12.427 -8.638 876 HZ1 LYS 108 HZ1 LYS 108 14.647 15.229 -7.669 877 HZ2 LYS 108 HZ2 LYS 108 15.965 14.420 -8.351 878 HZ3 LYS 108 HZ3 LYS 108 15.366 13.941 -6.843 879 H ARG 109 H ARG 109 10.208 11.321 -6.930 880 HA ARG 109 HA ARG 109 7.830 10.257 -8.286 881 HB2 ARG 109 HB2 ARG 109 7.659 8.584 -6.354 882 HB3 ARG 109 HB3 ARG 109 8.841 8.257 -7.615 883 HG2 ARG 109 HG2 ARG 109 10.560 9.342 -6.149 884 HG3 ARG 109 HG3 ARG 109 9.343 9.366 -4.870 885 HD2 ARG 109 HD2 ARG 109 10.060 6.849 -6.325 886 HD3 ARG 109 HD3 ARG 109 10.977 7.403 -4.924 887 HE ARG 109 HE ARG 109 8.540 7.393 -3.926 888 HH11 ARG 109 HH11 ARG 109 10.049 5.143 -6.092 889 HH12 ARG 109 HH12 ARG 109 9.305 3.739 -5.404 890 HH21 ARG 109 HH21 ARG 109 7.528 5.565 -2.955 891 HH22 ARG 109 HH22 ARG 109 7.869 3.988 -3.575 892 H SER 110 H SER 110 6.157 9.772 -6.337 893 HA SER 110 HA SER 110 5.660 12.444 -5.283 894 HB2 SER 110 HB2 SER 110 3.322 11.509 -4.995 895 HB3 SER 110 HB3 SER 110 3.898 11.594 -6.660 896 HG SER 110 HG SER 110 3.493 9.544 -6.740 897 H ARG 111 H ARG 111 4.546 12.623 -3.192 898 HA ARG 111 HA ARG 111 5.970 11.399 -1.088 899 HB2 ARG 111 HB2 ARG 111 3.362 12.932 -1.103 900 HB3 ARG 111 HB3 ARG 111 4.177 12.419 0.367 901 HG2 ARG 111 HG2 ARG 111 5.497 14.157 -1.692 902 HG3 ARG 111 HG3 ARG 111 4.548 14.805 -0.354 903 HD2 ARG 111 HD2 ARG 111 6.034 13.811 1.253 904 HD3 ARG 111 HD3 ARG 111 6.913 12.969 -0.023 905 HE ARG 111 HE ARG 111 7.525 15.262 -0.836 906 HH11 ARG 111 HH11 ARG 111 6.854 14.643 2.549 907 HH12 ARG 111 HH12 ARG 111 7.841 15.955 3.114 908 HH21 ARG 111 HH21 ARG 111 8.754 17.047 -0.078 909 HH22 ARG 111 HH22 ARG 111 8.874 17.339 1.637 910 H ALA 112 H ALA 112 2.754 10.833 -2.427 911 HA ALA 112 HA ALA 112 1.777 9.090 -0.482 912 HB1 ALA 112 HB1 ALA 112 1.087 9.152 -3.415 913 HB2 ALA 112 HB2 ALA 112 0.378 10.180 -2.169 914 HB3 ALA 112 HB3 ALA 112 0.116 8.437 -2.131 915 H ARG 113 H ARG 113 3.914 8.491 -3.175 916 HA ARG 113 HA ARG 113 3.598 5.628 -2.989 917 HB2 ARG 113 HB2 ARG 113 4.916 7.505 -4.806 918 HB3 ARG 113 HB3 ARG 113 5.822 6.022 -4.537 919 HG2 ARG 113 HG2 ARG 113 2.916 5.993 -5.275 920 HG3 ARG 113 HG3 ARG 113 4.195 6.067 -6.488 921 HD2 ARG 113 HD2 ARG 113 3.627 3.780 -6.251 922 HD3 ARG 113 HD3 ARG 113 5.177 4.006 -5.434 923 HE ARG 113 HE ARG 113 2.610 3.902 -3.950 924 HH11 ARG 113 HH11 ARG 113 5.950 2.946 -4.292 925 HH12 ARG 113 HH12 ARG 113 5.900 1.809 -2.991 926 HH21 ARG 113 HH21 ARG 113 2.529 2.375 -2.221 927 HH22 ARG 113 HH22 ARG 113 3.968 1.486 -1.824 928 H ILE 114 H ILE 114 5.834 8.045 -1.809 929 HA ILE 114 HA ILE 114 7.824 6.133 -1.021 930 HB ILE 114 HB ILE 114 7.431 9.020 -0.230 931 HG12 ILE 114 HG12 ILE 114 9.450 7.775 -2.105 932 HG13 ILE 114 HG13 ILE 114 7.926 8.471 -2.645 933 HG21 ILE 114 HG21 ILE 114 8.687 7.891 1.503 934 HG22 ILE 114 HG22 ILE 114 9.783 8.897 0.554 935 HG23 ILE 114 HG23 ILE 114 9.744 7.153 0.302 936 HD11 ILE 114 HD11 ILE 114 10.149 9.932 -1.228 937 HD12 ILE 114 HD12 ILE 114 8.612 10.649 -1.714 938 HD13 ILE 114 HD13 ILE 114 9.738 10.055 -2.937 939 H VAL 115 H VAL 115 5.323 8.013 0.669 940 HA VAL 115 HA VAL 115 5.854 7.014 3.241 941 HB VAL 115 HB VAL 115 3.666 7.816 3.888 942 HG11 VAL 115 HG11 VAL 115 5.397 9.485 3.570 943 HG12 VAL 115 HG12 VAL 115 3.821 10.145 3.133 944 HG13 VAL 115 HG13 VAL 115 4.950 9.649 1.873 945 HG21 VAL 115 HG21 VAL 115 2.348 6.969 2.013 946 HG22 VAL 115 HG22 VAL 115 3.082 8.172 0.952 947 HG23 VAL 115 HG23 VAL 115 2.045 8.684 2.284 948 H ASP 116 H ASP 116 3.907 5.806 0.604 949 HA ASP 116 HA ASP 116 2.539 3.776 2.048 950 HB2 ASP 116 HB2 ASP 116 1.947 4.863 -0.205 951 HB3 ASP 116 HB3 ASP 116 3.127 3.772 -0.909 952 H LYS 117 H LYS 117 5.563 3.949 0.296 953 HA LYS 117 HA LYS 117 6.044 1.144 0.188 954 HB2 LYS 117 HB2 LYS 117 7.108 2.772 -1.351 955 HB3 LYS 117 HB3 LYS 117 8.018 3.432 -0.002 956 HG2 LYS 117 HG2 LYS 117 9.508 2.018 -1.113 957 HG3 LYS 117 HG3 LYS 117 8.982 1.109 0.301 958 HD2 LYS 117 HD2 LYS 117 7.357 -0.105 -1.107 959 HD3 LYS 117 HD3 LYS 117 7.945 0.787 -2.520 960 HE2 LYS 117 HE2 LYS 117 10.140 -0.181 -2.271 961 HE3 LYS 117 HE3 LYS 117 9.670 -0.965 -0.769 962 HZ1 LYS 117 HZ1 LYS 117 8.635 -1.579 -3.483 963 HZ2 LYS 117 HZ2 LYS 117 8.035 -2.259 -2.059 964 HZ3 LYS 117 HZ3 LYS 117 9.631 -2.564 -2.526 965 H LEU 118 H LEU 118 6.915 3.733 2.432 966 HA LEU 118 HA LEU 118 8.757 2.343 4.018 967 HB2 LEU 118 HB2 LEU 118 6.778 4.435 4.896 968 HB3 LEU 118 HB3 LEU 118 8.162 3.903 5.820 969 HG LEU 118 HG LEU 118 8.119 5.580 3.331 970 HD11 LEU 118 HD11 LEU 118 9.243 5.898 6.109 971 HD12 LEU 118 HD12 LEU 118 7.816 6.700 5.450 972 HD13 LEU 118 HD13 LEU 118 9.414 7.074 4.801 973 HD21 LEU 118 HD21 LEU 118 10.543 4.324 4.618 974 HD22 LEU 118 HD22 LEU 118 10.541 5.466 3.273 975 HD23 LEU 118 HD23 LEU 118 9.862 3.852 3.060 976 H LEU 119 H LEU 119 5.251 2.676 4.330 977 HA LEU 119 HA LEU 119 5.020 1.212 6.735 978 HB2 LEU 119 HB2 LEU 119 3.121 2.054 4.586 979 HB3 LEU 119 HB3 LEU 119 2.585 0.932 5.820 980 HG LEU 119 HG LEU 119 1.939 3.228 6.367 981 HD11 LEU 119 HD11 LEU 119 2.760 3.271 8.647 982 HD12 LEU 119 HD12 LEU 119 4.050 2.147 8.223 983 HD13 LEU 119 HD13 LEU 119 2.368 1.623 8.159 984 HD21 LEU 119 HD21 LEU 119 4.906 3.773 6.395 985 HD22 LEU 119 HD22 LEU 119 3.689 4.852 7.073 986 HD23 LEU 119 HD23 LEU 119 3.698 4.510 5.340 987 H ALA 120 H ALA 120 5.216 0.310 3.421 988 HA ALA 120 HA ALA 120 4.145 -2.330 3.733 989 HB1 ALA 120 HB1 ALA 120 4.101 -1.020 1.623 990 HB2 ALA 120 HB2 ALA 120 4.769 -2.646 1.440 991 HB3 ALA 120 HB3 ALA 120 5.846 -1.248 1.494 992 H LEU 121 H LEU 121 7.347 -0.876 3.668 993 HA LEU 121 HA LEU 121 8.767 -3.327 4.119 994 HB2 LEU 121 HB2 LEU 121 9.395 -0.412 4.161 995 HB3 LEU 121 HB3 LEU 121 10.510 -1.516 4.937 996 HG LEU 121 HG LEU 121 10.911 -2.647 2.848 997 HD11 LEU 121 HD11 LEU 121 9.029 -0.697 1.550 998 HD12 LEU 121 HD12 LEU 121 8.625 -2.373 1.918 999 HD13 LEU 121 HD13 LEU 121 9.917 -2.010 0.775 1000 HD21 LEU 121 HD21 LEU 121 12.238 -0.680 3.373 1001 HD22 LEU 121 HD22 LEU 121 11.043 0.351 2.588 1002 HD23 LEU 121 HD23 LEU 121 11.978 -0.802 1.631 1003 H GLY 122 H GLY 122 7.058 -1.054 6.045 1004 HA2 GLY 122 HA2 GLY 122 6.681 -0.943 8.311 1005 HA3 GLY 122 HA3 GLY 122 7.621 -2.421 8.503 1006 H LEU 123 H LEU 123 8.716 0.503 6.905 1007 HA LEU 123 HA LEU 123 11.027 0.691 8.595 1008 HB2 LEU 123 HB2 LEU 123 9.933 2.553 6.485 1009 HB3 LEU 123 HB3 LEU 123 11.475 2.769 7.294 1010 HG LEU 123 HG LEU 123 10.694 0.567 5.393 1011 HD11 LEU 123 HD11 LEU 123 12.751 2.760 5.309 1012 HD12 LEU 123 HD12 LEU 123 11.331 2.577 4.278 1013 HD13 LEU 123 HD13 LEU 123 12.665 1.435 4.151 1014 HD21 LEU 123 HD21 LEU 123 13.184 0.814 7.071 1015 HD22 LEU 123 HD22 LEU 123 12.968 -0.322 5.742 1016 HD23 LEU 123 HD23 LEU 123 11.959 -0.449 7.183 1017 H VAL 124 H VAL 124 7.877 1.882 8.485 1018 HA VAL 124 HA VAL 124 8.188 3.145 11.090 1019 HB VAL 124 HB VAL 124 6.673 5.015 10.379 1020 HG11 VAL 124 HG11 VAL 124 9.353 4.911 9.001 1021 HG12 VAL 124 HG12 VAL 124 9.065 5.397 10.673 1022 HG13 VAL 124 HG13 VAL 124 8.430 6.372 9.347 1023 HG21 VAL 124 HG21 VAL 124 7.249 3.821 7.688 1024 HG22 VAL 124 HG22 VAL 124 6.781 5.504 7.872 1025 HG23 VAL 124 HG23 VAL 124 5.688 4.227 8.401 1026 H ALA 125 H ALA 125 5.793 3.797 11.757 1027 HA ALA 125 HA ALA 125 4.067 1.530 10.999 1028 HB1 ALA 125 HB1 ALA 125 3.123 1.607 13.250 1029 HB2 ALA 125 HB2 ALA 125 4.209 2.934 13.664 1030 HB3 ALA 125 HB3 ALA 125 4.866 1.342 13.296 1031 H GLU 126 H GLU 126 4.445 4.806 10.773 1032 HA GLU 126 HA GLU 126 1.738 5.269 9.956 1033 HB2 GLU 126 HB2 GLU 126 1.290 7.060 11.596 1034 HB3 GLU 126 HB3 GLU 126 1.452 5.489 12.370 1035 HG2 GLU 126 HG2 GLU 126 3.846 6.092 12.838 1036 HG3 GLU 126 HG3 GLU 126 3.457 7.723 12.298 1037 H ARG 127 H ARG 127 1.466 7.495 9.146 1038 HA ARG 127 HA ARG 127 3.848 8.359 7.797 1039 HB2 ARG 127 HB2 ARG 127 0.964 9.112 7.675 1040 HB3 ARG 127 HB3 ARG 127 2.157 10.222 7.017 1041 HG2 ARG 127 HG2 ARG 127 1.373 8.865 5.233 1042 HG3 ARG 127 HG3 ARG 127 3.018 8.355 5.616 1043 HD2 ARG 127 HD2 ARG 127 1.521 6.448 5.212 1044 HD3 ARG 127 HD3 ARG 127 2.184 6.451 6.846 1045 HE ARG 127 HE ARG 127 -0.286 7.758 6.908 1046 HH11 ARG 127 HH11 ARG 127 0.937 4.555 6.219 1047 HH12 ARG 127 HH12 ARG 127 -0.442 3.740 6.883 1048 HH21 ARG 127 HH21 ARG 127 -2.120 6.688 7.761 1049 HH22 ARG 127 HH22 ARG 127 -2.178 4.951 7.767 1050 H ARG 128 H ARG 128 2.241 9.222 10.681 1051 HA ARG 128 HA ARG 128 2.771 11.981 10.826 1052 HB2 ARG 128 HB2 ARG 128 2.803 10.149 13.216 1053 HB3 ARG 128 HB3 ARG 128 2.323 11.836 13.150 1054 HG2 ARG 128 HG2 ARG 128 0.346 11.204 11.829 1055 HG3 ARG 128 HG3 ARG 128 0.827 9.510 11.970 1056 HD2 ARG 128 HD2 ARG 128 0.813 9.869 14.477 1057 HD3 ARG 128 HD3 ARG 128 -0.021 11.386 14.150 1058 HE ARG 128 HE ARG 128 -1.804 10.053 13.120 1059 HH11 ARG 128 HH11 ARG 128 0.471 8.386 15.202 1060 HH12 ARG 128 HH12 ARG 128 -0.667 7.159 15.666 1061 HH21 ARG 128 HH21 ARG 128 -3.278 8.404 13.688 1062 HH22 ARG 128 HH22 ARG 128 -2.795 7.169 14.803 1063 H GLU 129 H GLU 129 4.763 9.207 11.331 1064 HA GLU 129 HA GLU 129 6.766 10.596 12.862 1065 HB2 GLU 129 HB2 GLU 129 6.671 7.807 11.714 1066 HB3 GLU 129 HB3 GLU 129 7.934 8.412 12.775 1067 HG2 GLU 129 HG2 GLU 129 5.013 8.183 13.462 1068 HG3 GLU 129 HG3 GLU 129 6.289 7.086 13.994 1069 H LEU 130 H LEU 130 6.048 10.409 9.608 1070 HA LEU 130 HA LEU 130 8.828 10.445 8.738 1071 HB2 LEU 130 HB2 LEU 130 6.791 11.078 6.731 1072 HB3 LEU 130 HB3 LEU 130 8.106 9.926 6.669 1073 HG LEU 130 HG LEU 130 5.430 9.456 7.988 1074 HD11 LEU 130 HD11 LEU 130 6.575 8.476 5.382 1075 HD12 LEU 130 HD12 LEU 130 5.209 9.572 5.597 1076 HD13 LEU 130 HD13 LEU 130 5.082 7.891 6.113 1077 HD21 LEU 130 HD21 LEU 130 7.228 8.166 9.055 1078 HD22 LEU 130 HD22 LEU 130 7.688 7.515 7.477 1079 HD23 LEU 130 HD23 LEU 130 6.103 7.136 8.162 1080 H TYR 131 H TYR 131 6.490 12.596 9.800 1081 HA TYR 131 HA TYR 131 7.928 14.878 8.600 1082 HB2 TYR 131 HB2 TYR 131 5.048 14.955 9.487 1083 HB3 TYR 131 HB3 TYR 131 5.911 16.154 8.533 1084 HD1 TYR 131 HD1 TYR 131 6.485 15.632 6.144 1085 HD2 TYR 131 HD2 TYR 131 3.963 13.121 8.475 1086 HE1 TYR 131 HE1 TYR 131 5.635 14.581 4.088 1087 HE2 TYR 131 HE2 TYR 131 3.108 12.064 6.432 1088 HH TYR 131 HH TYR 131 2.918 12.414 4.114 1089 H LYS 132 H LYS 132 9.306 14.708 10.486 1090 HA LYS 132 HA LYS 132 8.023 15.646 12.957 1091 HB2 LYS 132 HB2 LYS 132 9.697 13.244 12.475 1092 HB3 LYS 132 HB3 LYS 132 9.942 14.094 13.992 1093 HG2 LYS 132 HG2 LYS 132 7.340 12.954 12.995 1094 HG3 LYS 132 HG3 LYS 132 8.375 12.254 14.240 1095 HD2 LYS 132 HD2 LYS 132 8.079 14.397 15.531 1096 HD3 LYS 132 HD3 LYS 132 6.843 14.845 14.355 1097 HE2 LYS 132 HE2 LYS 132 6.822 12.407 16.125 1098 HE3 LYS 132 HE3 LYS 132 5.841 13.856 16.339 1099 HZ1 LYS 132 HZ1 LYS 132 5.235 11.593 14.855 1100 HZ2 LYS 132 HZ2 LYS 132 5.481 12.839 13.731 1101 HZ3 LYS 132 HZ3 LYS 132 4.339 13.029 14.967 1102 H LYS 133 H LYS 133 10.088 15.954 14.587 1103 HA LYS 133 HA LYS 133 12.238 17.297 13.098 1104 HB2 LYS 133 HB2 LYS 133 11.245 17.749 15.904 1105 HB3 LYS 133 HB3 LYS 133 12.786 18.359 15.322 1106 HG2 LYS 133 HG2 LYS 133 11.558 19.622 13.564 1107 HG3 LYS 133 HG3 LYS 133 10.043 19.094 14.298 1108 HD2 LYS 133 HD2 LYS 133 12.166 20.578 15.831 1109 HD3 LYS 133 HD3 LYS 133 10.878 21.400 14.951 1110 HE2 LYS 133 HE2 LYS 133 10.406 19.322 17.082 1111 HE3 LYS 133 HE3 LYS 133 10.430 21.057 17.389 1112 HZ1 LYS 133 HZ1 LYS 133 8.581 19.693 15.509 1113 HZ2 LYS 133 HZ2 LYS 133 8.576 21.337 15.896 1114 HZ3 LYS 133 HZ3 LYS 133 8.178 20.191 17.074 1115 H ARG 134 H ARG 134 14.348 17.180 14.407 1116 HA ARG 134 HA ARG 134 15.061 14.546 14.998 1117 HB2 ARG 134 HB2 ARG 134 16.639 16.432 14.458 1118 HB3 ARG 134 HB3 ARG 134 16.382 17.037 16.089 1119 HG2 ARG 134 HG2 ARG 134 18.454 15.715 15.835 1120 HG3 ARG 134 HG3 ARG 134 17.342 15.054 17.038 1121 HD2 ARG 134 HD2 ARG 134 16.546 13.418 15.461 1122 HD3 ARG 134 HD3 ARG 134 17.536 14.121 14.184 1123 HE ARG 134 HE ARG 134 19.176 13.381 16.352 1124 HH11 ARG 134 HH11 ARG 134 17.284 11.898 13.801 1125 HH12 ARG 134 HH12 ARG 134 18.294 10.493 13.702 1126 HH21 ARG 134 HH21 ARG 134 20.493 11.539 16.223 1127 HH22 ARG 134 HH22 ARG 134 20.114 10.284 15.088 1128 H GLN 135 H GLN 135 13.310 13.856 16.305 1129 HA GLN 135 HA GLN 135 12.660 14.866 18.835 1130 HB2 GLN 135 HB2 GLN 135 12.433 12.003 17.897 1131 HB3 GLN 135 HB3 GLN 135 11.544 12.741 19.219 1132 HG2 GLN 135 HG2 GLN 135 10.494 14.271 17.560 1133 HG3 GLN 135 HG3 GLN 135 11.283 13.343 16.287 1134 HE21 GLN 135 HE21 GLN 135 10.584 11.243 15.863 1135 HE22 GLN 135 HE22 GLN 135 9.082 10.629 16.460 1136 H LYS 136 H LYS 136 12.918 13.670 20.888 1137 HA LYS 136 HA LYS 136 15.534 13.101 21.679 1138 HB2 LYS 136 HB2 LYS 136 14.517 12.082 23.673 1139 HB3 LYS 136 HB3 LYS 136 13.755 13.616 23.280 1140 HG2 LYS 136 HG2 LYS 136 11.847 12.493 22.351 1141 HG3 LYS 136 HG3 LYS 136 12.631 10.924 22.535 1142 HD2 LYS 136 HD2 LYS 136 12.675 11.270 24.979 1143 HD3 LYS 136 HD3 LYS 136 11.807 12.789 24.758 1144 HE2 LYS 136 HE2 LYS 136 10.778 10.095 23.882 1145 HE3 LYS 136 HE3 LYS 136 10.365 10.867 25.412 1146 HZ1 LYS 136 HZ1 LYS 136 8.667 11.249 23.755 1147 HZ2 LYS 136 HZ2 LYS 136 9.792 11.962 22.711 1148 HZ3 LYS 136 HZ3 LYS 136 9.407 12.709 24.178 1149 H LYS 137 H LYS 137 16.155 10.848 22.621 1150 HA LYS 137 HA LYS 137 16.149 9.072 20.393 1151 HB2 LYS 137 HB2 LYS 137 17.703 7.723 21.567 1152 HB3 LYS 137 HB3 LYS 137 18.108 9.387 21.928 1153 HG2 LYS 137 HG2 LYS 137 16.627 7.514 23.768 1154 HG3 LYS 137 HG3 LYS 137 18.344 7.892 23.859 1155 HD2 LYS 137 HD2 LYS 137 17.788 9.527 25.263 1156 HD3 LYS 137 HD3 LYS 137 17.091 10.371 23.884 1157 HE2 LYS 137 HE2 LYS 137 14.919 9.475 24.337 1158 HE3 LYS 137 HE3 LYS 137 15.571 8.368 25.547 1159 HZ1 LYS 137 HZ1 LYS 137 16.127 10.241 26.943 1160 HZ2 LYS 137 HZ2 LYS 137 14.482 10.298 26.548 1161 HZ3 LYS 137 HZ3 LYS 137 15.575 11.330 25.775 1162 H LEU 138 H LEU 138 13.998 8.540 20.065 1163 HA LEU 138 HA LEU 138 13.111 6.358 21.802 1164 HB2 LEU 138 HB2 LEU 138 10.982 7.151 22.139 1165 HB3 LEU 138 HB3 LEU 138 11.894 8.644 22.181 1166 HG LEU 138 HG LEU 138 10.239 7.612 19.860 1167 HD11 LEU 138 HD11 LEU 138 8.823 9.548 20.361 1168 HD12 LEU 138 HD12 LEU 138 9.834 9.922 21.757 1169 HD13 LEU 138 HD13 LEU 138 8.907 8.424 21.717 1170 HD21 LEU 138 HD21 LEU 138 10.691 9.781 18.810 1171 HD22 LEU 138 HD22 LEU 138 12.179 8.868 19.048 1172 HD23 LEU 138 HD23 LEU 138 11.782 10.202 20.131 1173 H ALA 139 H ALA 139 11.365 5.063 20.674 1174 HA ALA 139 HA ALA 139 12.147 4.766 17.867 1175 HB1 ALA 139 HB1 ALA 139 12.286 2.760 19.250 1176 HB2 ALA 139 HB2 ALA 139 11.051 2.573 18.006 1177 HB3 ALA 139 HB3 ALA 139 10.579 2.917 19.671 1178 H SER 140 H SER 140 10.769 5.253 16.223 1179 HA SER 140 HA SER 140 8.309 6.534 16.651 1180 HB2 SER 140 HB2 SER 140 8.002 5.620 14.129 1181 HB3 SER 140 HB3 SER 140 9.023 7.002 14.523 1182 HG SER 140 HG SER 140 9.786 4.322 14.025 1183 H SER 141 H SER 141 6.553 5.646 17.525 1184 HA SER 141 HA SER 141 6.495 2.708 17.592 1185 HB2 SER 141 HB2 SER 141 7.149 4.081 19.679 1186 HB3 SER 141 HB3 SER 141 5.446 4.535 19.750 1187 HG SER 141 HG SER 141 4.886 2.502 20.225 Start of MODEL 10 1 H1 ASP 1 HT1 ASP 1 -22.923 9.198 -12.460 2 H2 ASP 1 HT2 ASP 1 -22.830 10.476 -13.563 3 H3 ASP 1 HT3 ASP 1 -23.180 8.915 -14.106 4 HA ASP 1 HA ASP 1 -25.159 10.282 -14.063 5 HB2 ASP 1 HB2 ASP 1 -26.573 8.723 -12.884 6 HB3 ASP 1 HB3 ASP 1 -25.247 7.809 -13.595 7 HA PRO 2 HA PRO 2 -25.491 13.075 -10.652 8 HB2 PRO 2 HB2 PRO 2 -27.900 14.100 -11.083 9 HB3 PRO 2 HB3 PRO 2 -26.619 14.277 -12.289 10 HG2 PRO 2 HG2 PRO 2 -28.957 12.421 -12.264 11 HG3 PRO 2 HG3 PRO 2 -28.222 13.282 -13.625 12 HD2 PRO 2 HD2 PRO 2 -27.751 10.611 -12.917 13 HD3 PRO 2 HD3 PRO 2 -26.765 11.587 -14.022 14 H SER 3 H SER 3 -26.750 10.140 -10.331 15 HA SER 3 HA SER 3 -28.738 10.729 -8.283 16 HB2 SER 3 HB2 SER 3 -27.684 8.018 -9.121 17 HB3 SER 3 HB3 SER 3 -29.174 8.365 -8.244 18 HG SER 3 HG SER 3 -28.706 8.356 -10.913 19 H ARG 4 H ARG 4 -25.443 10.545 -8.444 20 HA ARG 4 HA ARG 4 -25.060 9.070 -5.978 21 HB2 ARG 4 HB2 ARG 4 -22.965 10.523 -7.599 22 HB3 ARG 4 HB3 ARG 4 -22.702 9.263 -6.401 23 HG2 ARG 4 HG2 ARG 4 -24.084 8.898 -9.051 24 HG3 ARG 4 HG3 ARG 4 -22.419 8.449 -8.688 25 HD2 ARG 4 HD2 ARG 4 -23.123 6.785 -7.134 26 HD3 ARG 4 HD3 ARG 4 -24.790 7.356 -7.184 27 HE ARG 4 HE ARG 4 -24.210 6.676 -9.779 28 HH11 ARG 4 HH11 ARG 4 -24.083 4.970 -6.713 29 HH12 ARG 4 HH12 ARG 4 -24.543 3.447 -7.398 30 HH21 ARG 4 HH21 ARG 4 -24.770 4.667 -10.678 31 HH22 ARG 4 HH22 ARG 4 -24.910 3.268 -9.660 32 H ARG 5 H ARG 5 -25.900 10.273 -4.372 33 HA ARG 5 HA ARG 5 -24.792 12.941 -3.903 34 HB2 ARG 5 HB2 ARG 5 -27.155 12.906 -3.575 35 HB3 ARG 5 HB3 ARG 5 -27.083 11.402 -2.670 36 HG2 ARG 5 HG2 ARG 5 -27.541 13.280 -1.205 37 HG3 ARG 5 HG3 ARG 5 -25.977 12.559 -0.825 38 HD2 ARG 5 HD2 ARG 5 -24.866 14.333 -2.110 39 HD3 ARG 5 HD3 ARG 5 -26.437 15.065 -2.443 40 HE ARG 5 HE ARG 5 -26.315 14.878 0.286 41 HH11 ARG 5 HH11 ARG 5 -24.312 16.336 -2.184 42 HH12 ARG 5 HH12 ARG 5 -23.775 17.632 -1.163 43 HH21 ARG 5 HH21 ARG 5 -25.583 16.566 1.649 44 HH22 ARG 5 HH22 ARG 5 -24.492 17.761 1.021 45 H ALA 6 H ALA 6 -22.920 12.939 -2.850 46 HA ALA 6 HA ALA 6 -22.235 10.651 -1.175 47 HB1 ALA 6 HB1 ALA 6 -20.561 12.970 -2.080 48 HB2 ALA 6 HB2 ALA 6 -20.604 11.372 -2.823 49 HB3 ALA 6 HB3 ALA 6 -19.988 11.569 -1.182 50 HA PRO 7 HA PRO 7 -22.778 13.378 2.338 51 HB2 PRO 7 HB2 PRO 7 -24.284 11.829 3.793 52 HB3 PRO 7 HB3 PRO 7 -24.901 12.425 2.241 53 HG2 PRO 7 HG2 PRO 7 -23.805 9.723 2.901 54 HG3 PRO 7 HG3 PRO 7 -25.228 10.146 1.929 55 HD2 PRO 7 HD2 PRO 7 -22.611 9.649 0.972 56 HD3 PRO 7 HD3 PRO 7 -23.968 10.330 0.050 57 H THR 8 H THR 8 -22.412 12.781 4.778 58 HA THR 8 HA THR 8 -19.805 11.580 4.939 59 HB THR 8 HB THR 8 -20.132 12.176 7.435 60 HG1 THR 8 HG1 THR 8 -21.754 13.808 7.721 61 HG21 THR 8 HG21 THR 8 -18.716 13.412 5.863 62 HG22 THR 8 HG22 THR 8 -19.548 14.507 6.971 63 HG23 THR 8 HG23 THR 8 -20.123 14.323 5.313 64 H TRP 9 H TRP 9 -19.258 9.968 6.547 65 HA TRP 9 HA TRP 9 -21.218 7.822 6.461 66 HB2 TRP 9 HB2 TRP 9 -18.270 7.926 7.052 67 HB3 TRP 9 HB3 TRP 9 -19.227 6.480 7.354 68 HD1 TRP 9 HD1 TRP 9 -17.993 8.689 4.468 69 HE1 TRP 9 HE1 TRP 9 -18.144 7.329 2.294 70 HE3 TRP 9 HE3 TRP 9 -20.348 4.534 6.275 71 HZ2 TRP 9 HZ2 TRP 9 -19.134 4.814 1.452 72 HZ3 TRP 9 HZ3 TRP 9 -20.860 2.695 4.721 73 HH2 TRP 9 HH2 TRP 9 -20.265 2.836 2.360 74 H SER 10 H SER 10 -22.318 7.103 8.137 75 HA SER 10 HA SER 10 -21.827 8.228 10.770 76 HB2 SER 10 HB2 SER 10 -23.951 7.073 11.363 77 HB3 SER 10 HB3 SER 10 -24.140 8.141 9.973 78 HG SER 10 HG SER 10 -24.883 6.443 8.990 79 HA PRO 11 HA PRO 11 -19.678 4.707 12.462 80 HB2 PRO 11 HB2 PRO 11 -21.713 4.645 14.632 81 HB3 PRO 11 HB3 PRO 11 -19.952 4.749 14.739 82 HG2 PRO 11 HG2 PRO 11 -21.469 6.885 15.214 83 HG3 PRO 11 HG3 PRO 11 -19.925 7.031 14.354 84 HD2 PRO 11 HD2 PRO 11 -22.711 7.078 13.270 85 HD3 PRO 11 HD3 PRO 11 -21.294 8.026 12.776 86 H GLU 12 H GLU 12 -23.073 4.676 11.908 87 HA GLU 12 HA GLU 12 -23.430 1.832 12.264 88 HB2 GLU 12 HB2 GLU 12 -25.327 3.769 10.938 89 HB3 GLU 12 HB3 GLU 12 -25.717 2.260 11.759 90 HG2 GLU 12 HG2 GLU 12 -25.188 3.209 13.890 91 HG3 GLU 12 HG3 GLU 12 -24.558 4.671 13.136 92 H GLU 13 H GLU 13 -23.372 4.148 9.587 93 HA GLU 13 HA GLU 13 -23.811 2.283 7.517 94 HB2 GLU 13 HB2 GLU 13 -24.000 4.867 7.521 95 HB3 GLU 13 HB3 GLU 13 -22.277 4.850 7.179 96 HG2 GLU 13 HG2 GLU 13 -22.657 3.623 5.137 97 HG3 GLU 13 HG3 GLU 13 -24.381 3.510 5.493 98 H GLU 14 H GLU 14 -20.867 3.581 8.995 99 HA GLU 14 HA GLU 14 -19.039 2.337 7.217 100 HB2 GLU 14 HB2 GLU 14 -18.624 3.176 10.092 101 HB3 GLU 14 HB3 GLU 14 -17.350 2.793 8.944 102 HG2 GLU 14 HG2 GLU 14 -18.142 4.672 7.531 103 HG3 GLU 14 HG3 GLU 14 -19.276 5.093 8.814 104 H ALA 15 H ALA 15 -20.526 1.303 10.261 105 HA ALA 15 HA ALA 15 -18.976 -1.021 10.634 106 HB1 ALA 15 HB1 ALA 15 -21.821 -0.536 11.508 107 HB2 ALA 15 HB2 ALA 15 -20.381 -0.021 12.388 108 HB3 ALA 15 HB3 ALA 15 -20.709 -1.739 12.162 109 H HIS 16 H HIS 16 -21.898 -0.383 8.844 110 HA HIS 16 HA HIS 16 -22.568 -2.977 8.086 111 HB2 HIS 16 HB2 HIS 16 -23.903 -0.762 7.852 112 HB3 HIS 16 HB3 HIS 16 -23.051 -0.587 6.324 113 HD1 HIS 16 HD1 HIS 16 -26.087 -0.859 6.330 114 HD2 HIS 16 HD2 HIS 16 -23.490 -4.082 5.975 115 HE1 HIS 16 HE1 HIS 16 -27.402 -2.670 5.182 116 HE2 HIS 16 HE2 HIS 16 -25.853 -4.654 5.102 117 H LEU 17 H LEU 17 -20.209 -0.703 6.814 118 HA LEU 17 HA LEU 17 -19.570 -1.972 4.400 119 HB2 LEU 17 HB2 LEU 17 -17.856 -0.445 6.350 120 HB3 LEU 17 HB3 LEU 17 -17.231 -1.061 4.835 121 HG LEU 17 HG LEU 17 -19.489 0.924 5.077 122 HD11 LEU 17 HD11 LEU 17 -17.863 2.572 4.327 123 HD12 LEU 17 HD12 LEU 17 -16.598 1.343 4.325 124 HD13 LEU 17 HD13 LEU 17 -17.343 1.837 5.844 125 HD21 LEU 17 HD21 LEU 17 -19.074 1.224 2.656 126 HD22 LEU 17 HD22 LEU 17 -19.653 -0.392 3.059 127 HD23 LEU 17 HD23 LEU 17 -17.945 -0.128 2.710 128 H ARG 18 H ARG 18 -17.881 -2.303 7.526 129 HA ARG 18 HA ARG 18 -16.463 -4.611 6.734 130 HB2 ARG 18 HB2 ARG 18 -15.958 -4.879 9.161 131 HB3 ARG 18 HB3 ARG 18 -15.578 -3.288 8.525 132 HG2 ARG 18 HG2 ARG 18 -17.691 -2.441 9.485 133 HG3 ARG 18 HG3 ARG 18 -17.965 -4.032 10.197 134 HD2 ARG 18 HD2 ARG 18 -15.561 -2.291 10.729 135 HD3 ARG 18 HD3 ARG 18 -16.969 -2.414 11.781 136 HE ARG 18 HE ARG 18 -16.364 -4.863 11.914 137 HH11 ARG 18 HH11 ARG 18 -13.942 -2.377 11.369 138 HH12 ARG 18 HH12 ARG 18 -12.671 -3.284 12.124 139 HH21 ARG 18 HH21 ARG 18 -14.696 -6.032 12.907 140 HH22 ARG 18 HH22 ARG 18 -13.103 -5.353 13.004 141 H GLU 19 H GLU 19 -19.579 -4.086 8.199 142 HA GLU 19 HA GLU 19 -20.241 -6.558 9.158 143 HB2 GLU 19 HB2 GLU 19 -21.695 -4.583 9.297 144 HB3 GLU 19 HB3 GLU 19 -22.030 -4.729 7.578 145 HG2 GLU 19 HG2 GLU 19 -23.859 -5.603 8.898 146 HG3 GLU 19 HG3 GLU 19 -23.100 -6.881 7.952 147 H LEU 20 H LEU 20 -20.816 -5.348 5.893 148 HA LEU 20 HA LEU 20 -21.654 -7.854 4.841 149 HB2 LEU 20 HB2 LEU 20 -21.483 -5.107 4.007 150 HB3 LEU 20 HB3 LEU 20 -20.878 -6.154 2.740 151 HG LEU 20 HG LEU 20 -23.534 -6.683 4.031 152 HD11 LEU 20 HD11 LEU 20 -24.617 -5.372 2.343 153 HD12 LEU 20 HD12 LEU 20 -23.071 -4.961 1.603 154 HD13 LEU 20 HD13 LEU 20 -23.476 -4.341 3.202 155 HD21 LEU 20 HD21 LEU 20 -22.577 -8.465 2.702 156 HD22 LEU 20 HD22 LEU 20 -22.308 -7.356 1.359 157 HD23 LEU 20 HD23 LEU 20 -23.954 -7.761 1.852 158 H TYR 21 H TYR 21 -18.591 -6.257 5.141 159 HA TYR 21 HA TYR 21 -17.283 -7.684 3.038 160 HB2 TYR 21 HB2 TYR 21 -16.408 -5.527 3.722 161 HB3 TYR 21 HB3 TYR 21 -16.178 -6.108 5.367 162 HD1 TYR 21 HD1 TYR 21 -13.991 -6.511 5.940 163 HD2 TYR 21 HD2 TYR 21 -15.205 -7.243 1.934 164 HE1 TYR 21 HE1 TYR 21 -11.704 -7.228 5.386 165 HE2 TYR 21 HE2 TYR 21 -12.921 -7.959 1.367 166 HH TYR 21 HH TYR 21 -10.666 -7.722 2.138 167 H LEU 22 H LEU 22 -17.203 -7.867 6.573 168 HA LEU 22 HA LEU 22 -15.474 -10.062 6.767 169 HB2 LEU 22 HB2 LEU 22 -17.697 -9.332 8.675 170 HB3 LEU 22 HB3 LEU 22 -16.263 -10.269 9.045 171 HG LEU 22 HG LEU 22 -16.279 -7.354 8.264 172 HD11 LEU 22 HD11 LEU 22 -15.872 -8.646 10.950 173 HD12 LEU 22 HD12 LEU 22 -17.259 -7.677 10.446 174 HD13 LEU 22 HD13 LEU 22 -15.667 -6.931 10.584 175 HD21 LEU 22 HD21 LEU 22 -14.026 -9.121 9.196 176 HD22 LEU 22 HD22 LEU 22 -13.933 -7.377 8.942 177 HD23 LEU 22 HD23 LEU 22 -14.234 -8.451 7.578 178 H ALA 23 H ALA 23 -18.874 -9.863 6.087 179 HA ALA 23 HA ALA 23 -19.457 -12.620 6.500 180 HB1 ALA 23 HB1 ALA 23 -21.193 -10.905 6.538 181 HB2 ALA 23 HB2 ALA 23 -21.544 -12.143 5.333 182 HB3 ALA 23 HB3 ALA 23 -20.911 -10.575 4.829 183 H ASN 24 H ASN 24 -18.933 -10.714 3.495 184 HA ASN 24 HA ASN 24 -19.118 -13.153 1.955 185 HB2 ASN 24 HB2 ASN 24 -18.987 -10.246 1.262 186 HB3 ASN 24 HB3 ASN 24 -18.702 -11.465 0.023 187 HD21 ASN 24 HD21 ASN 24 -21.044 -10.058 2.179 188 HD22 ASN 24 HD22 ASN 24 -22.435 -10.796 1.459 189 H LYS 25 H LYS 25 -16.566 -11.514 3.442 190 HA LYS 25 HA LYS 25 -14.575 -11.944 1.446 191 HB2 LYS 25 HB2 LYS 25 -12.947 -11.399 3.107 192 HB3 LYS 25 HB3 LYS 25 -14.321 -10.335 3.353 193 HG2 LYS 25 HG2 LYS 25 -15.085 -11.800 5.190 194 HG3 LYS 25 HG3 LYS 25 -13.637 -12.784 4.970 195 HD2 LYS 25 HD2 LYS 25 -13.662 -9.845 5.662 196 HD3 LYS 25 HD3 LYS 25 -13.403 -11.158 6.809 197 HE2 LYS 25 HE2 LYS 25 -11.659 -10.594 4.414 198 HE3 LYS 25 HE3 LYS 25 -11.305 -10.072 6.058 199 HZ1 LYS 25 HZ1 LYS 25 -11.255 -12.400 6.737 200 HZ2 LYS 25 HZ2 LYS 25 -10.121 -12.094 5.524 201 HZ3 LYS 25 HZ3 LYS 25 -11.562 -12.886 5.146 202 H ASP 26 H ASP 26 -16.260 -14.016 3.486 203 HA ASP 26 HA ASP 26 -14.238 -16.022 3.822 204 HB2 ASP 26 HB2 ASP 26 -16.251 -15.733 5.313 205 HB3 ASP 26 HB3 ASP 26 -17.237 -16.367 3.999 206 H VAL 27 H VAL 27 -16.205 -15.005 1.285 207 HA VAL 27 HA VAL 27 -16.292 -17.588 -0.052 208 HB VAL 27 HB VAL 27 -17.292 -14.920 -1.054 209 HG11 VAL 27 HG11 VAL 27 -18.637 -16.261 -2.588 210 HG12 VAL 27 HG12 VAL 27 -17.923 -17.735 -1.936 211 HG13 VAL 27 HG13 VAL 27 -16.916 -16.580 -2.809 212 HG21 VAL 27 HG21 VAL 27 -19.519 -15.673 -0.351 213 HG22 VAL 27 HG22 VAL 27 -18.424 -15.507 1.020 214 HG23 VAL 27 HG23 VAL 27 -18.797 -17.107 0.380 215 H GLU 28 H GLU 28 -14.545 -18.201 -1.098 216 HA GLU 28 HA GLU 28 -12.559 -16.271 -1.931 217 HB2 GLU 28 HB2 GLU 28 -12.575 -19.286 -2.152 218 HB3 GLU 28 HB3 GLU 28 -11.188 -18.240 -2.425 219 HG2 GLU 28 HG2 GLU 28 -11.160 -17.573 -0.124 220 HG3 GLU 28 HG3 GLU 28 -12.660 -18.445 0.192 221 H GLY 29 H GLY 29 -12.314 -15.496 -3.919 222 HA2 GLY 29 HA2 GLY 29 -12.158 -15.669 -6.265 223 HA3 GLY 29 HA3 GLY 29 -13.187 -17.091 -6.209 224 H GLN 30 H GLN 30 -14.560 -14.815 -4.258 225 HA GLN 30 HA GLN 30 -16.380 -13.973 -6.401 226 HB2 GLN 30 HB2 GLN 30 -17.693 -15.014 -4.776 227 HB3 GLN 30 HB3 GLN 30 -16.725 -14.383 -3.449 228 HG2 GLN 30 HG2 GLN 30 -17.628 -12.153 -3.842 229 HG3 GLN 30 HG3 GLN 30 -18.584 -12.773 -5.184 230 HE21 GLN 30 HE21 GLN 30 -19.212 -11.488 -2.566 231 HE22 GLN 30 HE22 GLN 30 -20.412 -12.506 -1.867 232 H ASP 31 H ASP 31 -16.880 -11.846 -6.747 233 HA ASP 31 HA ASP 31 -15.173 -9.758 -5.917 234 HB2 ASP 31 HB2 ASP 31 -18.025 -9.653 -6.934 235 HB3 ASP 31 HB3 ASP 31 -16.984 -8.247 -6.749 236 H VAL 32 H VAL 32 -15.009 -9.742 -3.636 237 HA VAL 32 HA VAL 32 -17.318 -9.669 -1.972 238 HB VAL 32 HB VAL 32 -14.940 -10.247 -1.223 239 HG11 VAL 32 HG11 VAL 32 -13.820 -8.294 -2.171 240 HG12 VAL 32 HG12 VAL 32 -13.551 -8.406 -0.435 241 HG13 VAL 32 HG13 VAL 32 -14.717 -7.242 -1.074 242 HG21 VAL 32 HG21 VAL 32 -16.564 -8.282 0.384 243 HG22 VAL 32 HG22 VAL 32 -15.302 -9.328 1.034 244 HG23 VAL 32 HG23 VAL 32 -16.764 -10.034 0.345 245 H VAL 33 H VAL 33 -15.415 -7.357 -3.684 246 HA VAL 33 HA VAL 33 -16.207 -4.967 -2.541 247 HB VAL 33 HB VAL 33 -14.844 -4.145 -4.101 248 HG11 VAL 33 HG11 VAL 33 -15.010 -6.815 -5.474 249 HG12 VAL 33 HG12 VAL 33 -13.884 -6.358 -4.191 250 HG13 VAL 33 HG13 VAL 33 -13.793 -5.574 -5.766 251 HG21 VAL 33 HG21 VAL 33 -16.827 -3.551 -5.405 252 HG22 VAL 33 HG22 VAL 33 -16.738 -5.099 -6.243 253 HG23 VAL 33 HG23 VAL 33 -15.448 -3.912 -6.441 254 H GLU 34 H GLU 34 -17.728 -6.778 -5.194 255 HA GLU 34 HA GLU 34 -19.766 -4.832 -5.542 256 HB2 GLU 34 HB2 GLU 34 -18.946 -6.434 -7.314 257 HB3 GLU 34 HB3 GLU 34 -19.853 -7.694 -6.482 258 HG2 GLU 34 HG2 GLU 34 -21.910 -6.405 -6.790 259 HG3 GLU 34 HG3 GLU 34 -20.993 -5.163 -7.649 260 H ALA 35 H ALA 35 -19.578 -7.973 -3.943 261 HA ALA 35 HA ALA 35 -22.176 -8.389 -3.176 262 HB1 ALA 35 HB1 ALA 35 -19.717 -8.819 -1.482 263 HB2 ALA 35 HB2 ALA 35 -20.340 -9.934 -2.701 264 HB3 ALA 35 HB3 ALA 35 -21.285 -9.594 -1.251 265 H ILE 36 H ILE 36 -19.774 -6.332 -1.614 266 HA ILE 36 HA ILE 36 -21.453 -5.586 0.555 267 HB ILE 36 HB ILE 36 -18.993 -4.199 -0.505 268 HG12 ILE 36 HG12 ILE 36 -19.172 -6.163 1.778 269 HG13 ILE 36 HG13 ILE 36 -18.764 -6.646 0.134 270 HG21 ILE 36 HG21 ILE 36 -18.817 -3.297 1.777 271 HG22 ILE 36 HG22 ILE 36 -20.365 -4.045 2.172 272 HG23 ILE 36 HG23 ILE 36 -20.288 -2.774 0.954 273 HD11 ILE 36 HD11 ILE 36 -16.781 -6.359 1.489 274 HD12 ILE 36 HD12 ILE 36 -17.234 -4.695 1.834 275 HD13 ILE 36 HD13 ILE 36 -16.822 -5.175 0.188 276 H LEU 37 H LEU 37 -20.201 -3.654 -2.174 277 HA LEU 37 HA LEU 37 -21.754 -1.390 -1.566 278 HB2 LEU 37 HB2 LEU 37 -21.135 -0.631 -3.870 279 HB3 LEU 37 HB3 LEU 37 -19.802 -1.072 -2.830 280 HG LEU 37 HG LEU 37 -19.916 -3.366 -4.048 281 HD11 LEU 37 HD11 LEU 37 -20.654 -3.170 -6.387 282 HD12 LEU 37 HD12 LEU 37 -21.305 -1.567 -6.038 283 HD13 LEU 37 HD13 LEU 37 -21.993 -2.990 -5.254 284 HD21 LEU 37 HD21 LEU 37 -18.455 -2.430 -5.841 285 HD22 LEU 37 HD22 LEU 37 -18.022 -1.953 -4.200 286 HD23 LEU 37 HD23 LEU 37 -18.870 -0.824 -5.252 287 H ALA 38 H ALA 38 -22.627 -4.246 -3.183 288 HA ALA 38 HA ALA 38 -24.810 -3.133 -4.697 289 HB1 ALA 38 HB1 ALA 38 -25.374 -5.467 -5.177 290 HB2 ALA 38 HB2 ALA 38 -24.146 -5.987 -4.022 291 HB3 ALA 38 HB3 ALA 38 -23.671 -5.122 -5.482 292 H HIS 39 H HIS 39 -24.439 -4.886 -1.647 293 HA HIS 39 HA HIS 39 -27.301 -5.037 -1.237 294 HB2 HIS 39 HB2 HIS 39 -24.932 -5.779 0.472 295 HB3 HIS 39 HB3 HIS 39 -26.571 -5.812 1.104 296 HD1 HIS 39 HD1 HIS 39 -27.777 -7.965 0.826 297 HD2 HIS 39 HD2 HIS 39 -24.603 -7.582 -1.835 298 HE1 HIS 39 HE1 HIS 39 -27.611 -10.178 -0.351 299 HE2 HIS 39 HE2 HIS 39 -25.752 -9.896 -2.026 300 H LEU 40 H LEU 40 -24.731 -2.883 -0.556 301 HA LEU 40 HA LEU 40 -26.062 -1.406 1.509 302 HB2 LEU 40 HB2 LEU 40 -23.782 -0.629 -0.306 303 HB3 LEU 40 HB3 LEU 40 -24.326 0.301 1.075 304 HG LEU 40 HG LEU 40 -23.288 -2.512 1.311 305 HD11 LEU 40 HD11 LEU 40 -21.531 -1.218 0.359 306 HD12 LEU 40 HD12 LEU 40 -21.190 -1.430 2.076 307 HD13 LEU 40 HD13 LEU 40 -21.820 0.109 1.485 308 HD21 LEU 40 HD21 LEU 40 -24.660 -1.720 3.167 309 HD22 LEU 40 HD22 LEU 40 -23.638 -0.289 3.317 310 HD23 LEU 40 HD23 LEU 40 -22.970 -1.889 3.646 311 H ASN 41 H ASN 41 -28.139 -1.148 0.456 312 HA ASN 41 HA ASN 41 -28.126 0.945 -1.612 313 HB2 ASN 41 HB2 ASN 41 -29.361 -1.230 -2.058 314 HB3 ASN 41 HB3 ASN 41 -30.475 -0.771 -0.773 315 HD21 ASN 41 HD21 ASN 41 -28.998 1.451 -3.048 316 HD22 ASN 41 HD22 ASN 41 -30.462 1.898 -3.849 317 H THR 42 H THR 42 -27.531 1.498 1.069 318 HA THR 42 HA THR 42 -29.890 2.979 1.983 319 HB THR 42 HB THR 42 -28.819 1.608 3.705 320 HG1 THR 42 HG1 THR 42 -28.734 4.419 3.877 321 HG21 THR 42 HG21 THR 42 -26.346 3.270 3.164 322 HG22 THR 42 HG22 THR 42 -26.537 1.547 2.828 323 HG23 THR 42 HG23 THR 42 -26.541 2.125 4.494 324 H VAL 43 H VAL 43 -26.902 3.319 0.394 325 HA VAL 43 HA VAL 43 -27.034 6.226 0.595 326 HB VAL 43 HB VAL 43 -25.483 5.576 2.357 327 HG11 VAL 43 HG11 VAL 43 -24.805 3.400 1.600 328 HG12 VAL 43 HG12 VAL 43 -23.380 4.407 1.846 329 HG13 VAL 43 HG13 VAL 43 -23.974 4.106 0.214 330 HG21 VAL 43 HG21 VAL 43 -25.000 7.618 1.187 331 HG22 VAL 43 HG22 VAL 43 -24.084 6.733 -0.033 332 HG23 VAL 43 HG23 VAL 43 -23.497 6.808 1.629 333 HA PRO 44 HA PRO 44 -26.047 5.648 -3.750 334 HB2 PRO 44 HB2 PRO 44 -25.966 8.281 -4.397 335 HB3 PRO 44 HB3 PRO 44 -27.475 7.384 -4.202 336 HG2 PRO 44 HG2 PRO 44 -26.112 9.243 -2.300 337 HG3 PRO 44 HG3 PRO 44 -27.839 9.066 -2.651 338 HD2 PRO 44 HD2 PRO 44 -26.631 8.001 -0.450 339 HD3 PRO 44 HD3 PRO 44 -28.076 7.303 -1.203 340 H ARG 45 H ARG 45 -23.971 4.808 -3.266 341 HA ARG 45 HA ARG 45 -21.775 6.771 -3.221 342 HB2 ARG 45 HB2 ARG 45 -21.733 3.818 -2.548 343 HB3 ARG 45 HB3 ARG 45 -20.367 4.912 -2.436 344 HG2 ARG 45 HG2 ARG 45 -22.873 5.335 -0.856 345 HG3 ARG 45 HG3 ARG 45 -21.567 4.294 -0.288 346 HD2 ARG 45 HD2 ARG 45 -20.026 6.202 -0.489 347 HD3 ARG 45 HD3 ARG 45 -21.381 7.232 -0.943 348 HE ARG 45 HE ARG 45 -21.732 5.838 1.547 349 HH11 ARG 45 HH11 ARG 45 -20.322 8.698 0.097 350 HH12 ARG 45 HH12 ARG 45 -20.541 9.679 1.514 351 HH21 ARG 45 HH21 ARG 45 -22.035 7.116 3.413 352 HH22 ARG 45 HH22 ARG 45 -21.512 8.781 3.391 353 H THR 46 H THR 46 -19.810 6.076 -4.469 354 HA THR 46 HA THR 46 -20.479 4.546 -6.871 355 HB THR 46 HB THR 46 -18.149 5.214 -7.598 356 HG1 THR 46 HG1 THR 46 -17.175 6.907 -6.397 357 HG21 THR 46 HG21 THR 46 -20.105 6.456 -8.372 358 HG22 THR 46 HG22 THR 46 -18.750 7.549 -8.094 359 HG23 THR 46 HG23 THR 46 -20.062 7.454 -6.919 360 H ARG 47 H ARG 47 -18.736 2.906 -7.531 361 HA ARG 47 HA ARG 47 -18.543 0.987 -5.482 362 HB2 ARG 47 HB2 ARG 47 -17.230 1.154 -8.194 363 HB3 ARG 47 HB3 ARG 47 -16.948 -0.192 -7.105 364 HG2 ARG 47 HG2 ARG 47 -18.604 -0.791 -8.739 365 HG3 ARG 47 HG3 ARG 47 -19.347 -0.711 -7.144 366 HD2 ARG 47 HD2 ARG 47 -20.793 0.287 -8.817 367 HD3 ARG 47 HD3 ARG 47 -20.236 1.503 -7.671 368 HE ARG 47 HE ARG 47 -18.473 1.537 -9.821 369 HH11 ARG 47 HH11 ARG 47 -21.867 2.154 -9.222 370 HH12 ARG 47 HH12 ARG 47 -22.017 3.313 -10.503 371 HH21 ARG 47 HH21 ARG 47 -18.652 3.097 -11.485 372 HH22 ARG 47 HH22 ARG 47 -20.179 3.865 -11.781 373 H LYS 48 H LYS 48 -16.338 3.370 -6.732 374 HA LYS 48 HA LYS 48 -13.919 2.621 -5.651 375 HB2 LYS 48 HB2 LYS 48 -14.203 4.515 -7.166 376 HB3 LYS 48 HB3 LYS 48 -15.078 5.398 -5.924 377 HG2 LYS 48 HG2 LYS 48 -12.974 5.221 -4.520 378 HG3 LYS 48 HG3 LYS 48 -12.168 4.679 -5.994 379 HD2 LYS 48 HD2 LYS 48 -11.794 7.018 -5.839 380 HD3 LYS 48 HD3 LYS 48 -13.017 6.790 -7.092 381 HE2 LYS 48 HE2 LYS 48 -14.772 7.305 -5.434 382 HE3 LYS 48 HE3 LYS 48 -13.522 7.583 -4.223 383 HZ1 LYS 48 HZ1 LYS 48 -12.646 9.357 -5.667 384 HZ2 LYS 48 HZ2 LYS 48 -14.212 9.665 -5.120 385 HZ3 LYS 48 HZ3 LYS 48 -13.962 9.143 -6.705 386 H GLN 49 H GLN 49 -16.637 4.198 -4.074 387 HA GLN 49 HA GLN 49 -15.213 5.153 -1.831 388 HB2 GLN 49 HB2 GLN 49 -18.167 4.567 -2.072 389 HB3 GLN 49 HB3 GLN 49 -17.411 5.574 -0.846 390 HG2 GLN 49 HG2 GLN 49 -17.341 6.143 -3.801 391 HG3 GLN 49 HG3 GLN 49 -18.490 6.844 -2.670 392 HE21 GLN 49 HE21 GLN 49 -17.774 8.912 -3.183 393 HE22 GLN 49 HE22 GLN 49 -16.260 9.534 -2.609 394 H ILE 50 H ILE 50 -17.259 2.264 -2.254 395 HA ILE 50 HA ILE 50 -17.127 1.447 0.425 396 HB ILE 50 HB ILE 50 -17.758 -0.039 -2.103 397 HG12 ILE 50 HG12 ILE 50 -19.939 -0.343 -0.743 398 HG13 ILE 50 HG13 ILE 50 -19.293 0.909 0.307 399 HG21 ILE 50 HG21 ILE 50 -16.629 -1.679 -0.740 400 HG22 ILE 50 HG22 ILE 50 -18.362 -2.005 -0.730 401 HG23 ILE 50 HG23 ILE 50 -17.601 -1.229 0.660 402 HD11 ILE 50 HD11 ILE 50 -19.197 2.433 -1.624 403 HD12 ILE 50 HD12 ILE 50 -20.828 1.856 -1.280 404 HD13 ILE 50 HD13 ILE 50 -19.917 1.166 -2.624 405 H ILE 51 H ILE 51 -15.201 0.343 -2.369 406 HA ILE 51 HA ILE 51 -13.536 -1.438 -1.031 407 HB ILE 51 HB ILE 51 -13.028 0.283 -3.454 408 HG12 ILE 51 HG12 ILE 51 -13.027 -2.006 -4.555 409 HG13 ILE 51 HG13 ILE 51 -13.616 -2.636 -3.025 410 HG21 ILE 51 HG21 ILE 51 -10.995 -1.018 -3.879 411 HG22 ILE 51 HG22 ILE 51 -11.183 -1.817 -2.318 412 HG23 ILE 51 HG23 ILE 51 -10.871 -0.082 -2.390 413 HD11 ILE 51 HD11 ILE 51 -15.621 -1.352 -3.206 414 HD12 ILE 51 HD12 ILE 51 -15.380 -2.262 -4.696 415 HD13 ILE 51 HD13 ILE 51 -15.017 -0.538 -4.646 416 H HIS 52 H HIS 52 -13.179 2.039 -1.548 417 HA HIS 52 HA HIS 52 -10.585 2.245 -0.486 418 HB2 HIS 52 HB2 HIS 52 -12.711 4.118 -1.298 419 HB3 HIS 52 HB3 HIS 52 -11.554 4.743 -0.128 420 HD1 HIS 52 HD1 HIS 52 -9.927 6.108 -1.387 421 HD2 HIS 52 HD2 HIS 52 -10.855 2.586 -3.396 422 HE1 HIS 52 HE1 HIS 52 -8.460 6.083 -3.421 423 HE2 HIS 52 HE2 HIS 52 -9.011 3.938 -4.615 424 H HIS 53 H HIS 53 -13.757 2.936 1.054 425 HA HIS 53 HA HIS 53 -12.649 3.833 3.481 426 HB2 HIS 53 HB2 HIS 53 -15.353 2.586 2.970 427 HB3 HIS 53 HB3 HIS 53 -14.889 3.402 4.461 428 HD1 HIS 53 HD1 HIS 53 -13.548 5.897 3.422 429 HD2 HIS 53 HD2 HIS 53 -17.068 4.353 1.818 430 HE1 HIS 53 HE1 HIS 53 -14.600 7.796 2.165 431 HE2 HIS 53 HE2 HIS 53 -16.587 6.778 1.011 432 H LEU 54 H LEU 54 -12.995 0.653 2.257 433 HA LEU 54 HA LEU 54 -13.000 -0.636 4.849 434 HB2 LEU 54 HB2 LEU 54 -13.025 -1.617 2.017 435 HB3 LEU 54 HB3 LEU 54 -12.681 -2.721 3.335 436 HG LEU 54 HG LEU 54 -15.190 -1.051 3.246 437 HD11 LEU 54 HD11 LEU 54 -15.075 -2.453 1.242 438 HD12 LEU 54 HD12 LEU 54 -16.328 -3.002 2.354 439 HD13 LEU 54 HD13 LEU 54 -14.794 -3.870 2.256 440 HD21 LEU 54 HD21 LEU 54 -14.485 -3.595 4.719 441 HD22 LEU 54 HD22 LEU 54 -16.010 -2.718 4.822 442 HD23 LEU 54 HD23 LEU 54 -14.528 -1.981 5.429 443 H VAL 55 H VAL 55 -10.758 -0.421 2.088 444 HA VAL 55 HA VAL 55 -8.684 -1.817 3.465 445 HB VAL 55 HB VAL 55 -7.259 -1.306 1.628 446 HG11 VAL 55 HG11 VAL 55 -10.076 -1.654 0.624 447 HG12 VAL 55 HG12 VAL 55 -9.000 -2.936 1.183 448 HG13 VAL 55 HG13 VAL 55 -8.607 -2.027 -0.276 449 HG21 VAL 55 HG21 VAL 55 -7.657 1.080 1.427 450 HG22 VAL 55 HG22 VAL 55 -9.274 0.776 0.791 451 HG23 VAL 55 HG23 VAL 55 -7.853 0.289 -0.136 452 H GLN 56 H GLN 56 -9.730 1.451 3.310 453 HA GLN 56 HA GLN 56 -7.363 2.520 4.550 454 HB2 GLN 56 HB2 GLN 56 -10.029 3.638 3.762 455 HB3 GLN 56 HB3 GLN 56 -8.944 4.566 4.775 456 HG2 GLN 56 HG2 GLN 56 -7.206 4.387 3.035 457 HG3 GLN 56 HG3 GLN 56 -8.349 3.509 2.021 458 HE21 GLN 56 HE21 GLN 56 -10.116 4.599 1.176 459 HE22 GLN 56 HE22 GLN 56 -10.140 6.324 1.027 460 H MET 57 H MET 57 -10.243 0.985 5.601 461 HA MET 57 HA MET 57 -10.179 2.103 8.253 462 HB2 MET 57 HB2 MET 57 -12.236 1.131 7.054 463 HB3 MET 57 HB3 MET 57 -11.584 -0.442 7.484 464 HG2 MET 57 HG2 MET 57 -11.644 0.201 9.856 465 HG3 MET 57 HG3 MET 57 -12.352 1.747 9.400 466 HE1 MET 57 HE1 MET 57 -15.786 0.553 7.839 467 HE2 MET 57 HE2 MET 57 -14.282 0.557 6.920 468 HE3 MET 57 HE3 MET 57 -14.654 1.895 8.007 469 H GLY 58 H GLY 58 -8.356 -0.143 6.599 470 HA2 GLY 58 HA2 GLY 58 -6.409 -1.132 7.408 471 HA3 GLY 58 HA3 GLY 58 -6.960 -0.831 9.047 472 H LEU 59 H LEU 59 -9.530 -2.193 7.577 473 HA LEU 59 HA LEU 59 -8.943 -4.758 8.769 474 HB2 LEU 59 HB2 LEU 59 -11.319 -5.287 8.123 475 HB3 LEU 59 HB3 LEU 59 -11.096 -3.990 9.278 476 HG LEU 59 HG LEU 59 -11.295 -2.424 7.229 477 HD11 LEU 59 HD11 LEU 59 -12.635 -4.887 6.133 478 HD12 LEU 59 HD12 LEU 59 -11.138 -4.175 5.528 479 HD13 LEU 59 HD13 LEU 59 -12.650 -3.275 5.417 480 HD21 LEU 59 HD21 LEU 59 -13.722 -2.402 7.457 481 HD22 LEU 59 HD22 LEU 59 -12.925 -2.570 9.021 482 HD23 LEU 59 HD23 LEU 59 -13.660 -3.976 8.252 483 H ALA 60 H ALA 60 -9.055 -3.346 5.625 484 HA ALA 60 HA ALA 60 -8.648 -6.022 4.446 485 HB1 ALA 60 HB1 ALA 60 -10.464 -4.883 3.372 486 HB2 ALA 60 HB2 ALA 60 -9.093 -4.923 2.259 487 HB3 ALA 60 HB3 ALA 60 -9.479 -3.444 3.132 488 H ASP 61 H ASP 61 -7.004 -6.259 2.834 489 HA ASP 61 HA ASP 61 -4.494 -5.290 3.629 490 HB2 ASP 61 HB2 ASP 61 -4.886 -7.412 2.382 491 HB3 ASP 61 HB3 ASP 61 -5.268 -6.462 0.948 492 H SER 62 H SER 62 -6.115 -4.702 0.514 493 HA SER 62 HA SER 62 -5.501 -1.922 0.505 494 HB2 SER 62 HB2 SER 62 -4.018 -2.079 -1.519 495 HB3 SER 62 HB3 SER 62 -3.273 -2.593 -0.009 496 HG SER 62 HG SER 62 -3.501 -4.716 -0.618 497 H VAL 63 H VAL 63 -5.795 -1.081 -1.867 498 HA VAL 63 HA VAL 63 -8.403 -1.521 -2.687 499 HB VAL 63 HB VAL 63 -5.998 -0.237 -3.889 500 HG11 VAL 63 HG11 VAL 63 -8.477 -0.814 -5.515 501 HG12 VAL 63 HG12 VAL 63 -6.839 -1.385 -5.845 502 HG13 VAL 63 HG13 VAL 63 -7.212 0.334 -5.965 503 HG21 VAL 63 HG21 VAL 63 -8.826 0.674 -3.382 504 HG22 VAL 63 HG22 VAL 63 -7.522 1.689 -4.001 505 HG23 VAL 63 HG23 VAL 63 -7.415 1.005 -2.378 506 H LYS 64 H LYS 64 -5.479 -3.181 -3.504 507 HA LYS 64 HA LYS 64 -6.357 -4.319 -5.945 508 HB2 LYS 64 HB2 LYS 64 -4.156 -5.456 -4.273 509 HB3 LYS 64 HB3 LYS 64 -4.277 -5.359 -6.013 510 HG2 LYS 64 HG2 LYS 64 -4.047 -2.878 -5.821 511 HG3 LYS 64 HG3 LYS 64 -3.704 -3.112 -4.107 512 HD2 LYS 64 HD2 LYS 64 -2.103 -4.115 -6.453 513 HD3 LYS 64 HD3 LYS 64 -1.622 -2.907 -5.259 514 HE2 LYS 64 HE2 LYS 64 -2.154 -5.824 -4.694 515 HE3 LYS 64 HE3 LYS 64 -0.562 -5.087 -4.858 516 HZ1 LYS 64 HZ1 LYS 64 -1.093 -3.676 -2.944 517 HZ2 LYS 64 HZ2 LYS 64 -1.139 -5.318 -2.552 518 HZ3 LYS 64 HZ3 LYS 64 -2.580 -4.464 -2.766 519 H ASP 65 H ASP 65 -7.015 -5.102 -2.707 520 HA ASP 65 HA ASP 65 -7.358 -7.940 -3.066 521 HB2 ASP 65 HB2 ASP 65 -6.912 -6.715 -0.852 522 HB3 ASP 65 HB3 ASP 65 -8.607 -6.249 -0.896 523 H PHE 66 H PHE 66 -9.110 -5.119 -3.717 524 HA PHE 66 HA PHE 66 -11.620 -6.592 -4.146 525 HB2 PHE 66 HB2 PHE 66 -11.073 -3.627 -3.876 526 HB3 PHE 66 HB3 PHE 66 -12.647 -4.314 -4.247 527 HD1 PHE 66 HD1 PHE 66 -14.117 -4.708 -2.528 528 HD2 PHE 66 HD2 PHE 66 -9.955 -4.505 -1.684 529 HE1 PHE 66 HE1 PHE 66 -14.600 -4.897 -0.132 530 HE2 PHE 66 HE2 PHE 66 -10.428 -4.693 0.720 531 HZ PHE 66 HZ PHE 66 -12.758 -4.886 1.505 532 H GLN 67 H GLN 67 -9.476 -4.168 -5.520 533 HA GLN 67 HA GLN 67 -10.079 -5.125 -8.225 534 HB2 GLN 67 HB2 GLN 67 -9.939 -2.213 -7.380 535 HB3 GLN 67 HB3 GLN 67 -10.052 -2.780 -9.040 536 HG2 GLN 67 HG2 GLN 67 -12.251 -3.731 -8.567 537 HG3 GLN 67 HG3 GLN 67 -12.134 -3.164 -6.899 538 HE21 GLN 67 HE21 GLN 67 -13.971 -1.880 -7.116 539 HE22 GLN 67 HE22 GLN 67 -13.959 -0.400 -8.008 540 H ARG 68 H ARG 68 -8.131 -5.890 -8.888 541 HA ARG 68 HA ARG 68 -5.705 -5.046 -7.698 542 HB2 ARG 68 HB2 ARG 68 -5.884 -7.312 -8.522 543 HB3 ARG 68 HB3 ARG 68 -6.213 -6.737 -10.149 544 HG2 ARG 68 HG2 ARG 68 -3.975 -5.852 -10.335 545 HG3 ARG 68 HG3 ARG 68 -3.633 -6.291 -8.661 546 HD2 ARG 68 HD2 ARG 68 -4.459 -8.335 -10.696 547 HD3 ARG 68 HD3 ARG 68 -2.777 -7.843 -10.509 548 HE ARG 68 HE ARG 68 -3.085 -8.538 -8.100 549 HH11 ARG 68 HH11 ARG 68 -4.959 -9.990 -10.677 550 HH12 ARG 68 HH12 ARG 68 -5.084 -11.527 -9.887 551 HH21 ARG 68 HH21 ARG 68 -3.270 -10.547 -7.051 552 HH22 ARG 68 HH22 ARG 68 -4.121 -11.846 -7.825 553 H LYS 69 H LYS 69 -5.916 -2.786 -8.029 554 HA LYS 69 HA LYS 69 -5.401 -1.696 -10.619 555 HB2 LYS 69 HB2 LYS 69 -6.431 -0.296 -8.917 556 HB3 LYS 69 HB3 LYS 69 -5.067 -0.550 -7.838 557 HG2 LYS 69 HG2 LYS 69 -3.610 0.666 -9.363 558 HG3 LYS 69 HG3 LYS 69 -4.952 0.889 -10.483 559 HD2 LYS 69 HD2 LYS 69 -4.923 1.902 -7.644 560 HD3 LYS 69 HD3 LYS 69 -4.481 2.871 -9.052 561 HE2 LYS 69 HE2 LYS 69 -7.155 1.557 -8.583 562 HE3 LYS 69 HE3 LYS 69 -6.799 3.269 -8.366 563 HZ1 LYS 69 HZ1 LYS 69 -6.294 3.436 -10.714 564 HZ2 LYS 69 HZ2 LYS 69 -7.854 2.828 -10.501 565 HZ3 LYS 69 HZ3 LYS 69 -6.595 1.789 -10.933 566 H GLY 70 H GLY 70 -3.690 -2.586 -11.550 567 HA2 GLY 70 HA2 GLY 70 -1.355 -3.547 -10.651 568 HA3 GLY 70 HA3 GLY 70 -1.440 -2.588 -12.119 569 H THR 71 H THR 71 0.101 -2.907 -9.283 570 HA THR 71 HA THR 71 -0.018 -0.401 -8.093 571 HB THR 71 HB THR 71 2.261 -1.076 -7.105 572 HG1 THR 71 HG1 THR 71 2.232 -2.813 -8.972 573 HG21 THR 71 HG21 THR 71 1.138 -2.699 -5.604 574 HG22 THR 71 HG22 THR 71 -0.241 -2.714 -6.707 575 HG23 THR 71 HG23 THR 71 0.203 -1.227 -5.870 576 H HIS 72 H HIS 72 1.098 1.408 -8.180 577 HA HIS 72 HA HIS 72 2.864 2.159 -10.176 578 HB2 HIS 72 HB2 HIS 72 3.588 3.920 -8.681 579 HB3 HIS 72 HB3 HIS 72 1.867 3.686 -8.409 580 HD1 HIS 72 HD1 HIS 72 1.415 1.940 -6.268 581 HD2 HIS 72 HD2 HIS 72 5.033 3.963 -6.413 582 HE1 HIS 72 HE1 HIS 72 2.448 1.634 -4.014 583 HE2 HIS 72 HE2 HIS 72 4.414 3.210 -4.010 584 H ILE 73 H ILE 73 4.643 1.077 -10.728 585 HA ILE 73 HA ILE 73 6.326 0.107 -8.537 586 HB ILE 73 HB ILE 73 5.394 -1.344 -10.924 587 HG12 ILE 73 HG12 ILE 73 4.901 -1.767 -8.436 588 HG13 ILE 73 HG13 ILE 73 5.295 -3.159 -9.452 589 HG21 ILE 73 HG21 ILE 73 7.627 -1.247 -11.660 590 HG22 ILE 73 HG22 ILE 73 7.485 -2.802 -10.835 591 HG23 ILE 73 HG23 ILE 73 8.250 -1.436 -10.024 592 HD11 ILE 73 HD11 ILE 73 6.404 -3.237 -7.270 593 HD12 ILE 73 HD12 ILE 73 7.224 -1.720 -7.639 594 HD13 ILE 73 HD13 ILE 73 7.564 -3.161 -8.596 595 H VAL 74 H VAL 74 7.965 1.323 -8.385 596 HA VAL 74 HA VAL 74 9.017 2.922 -10.430 597 HB VAL 74 HB VAL 74 10.802 3.440 -8.935 598 HG11 VAL 74 HG11 VAL 74 8.630 4.334 -8.306 599 HG12 VAL 74 HG12 VAL 74 9.587 3.992 -6.867 600 HG13 VAL 74 HG13 VAL 74 8.288 2.893 -7.345 601 HG21 VAL 74 HG21 VAL 74 11.307 2.208 -6.918 602 HG22 VAL 74 HG22 VAL 74 11.441 1.148 -8.321 603 HG23 VAL 74 HG23 VAL 74 10.025 1.050 -7.274 604 H LEU 75 H LEU 75 10.543 2.505 -11.926 605 HA LEU 75 HA LEU 75 10.400 0.063 -13.134 606 HB2 LEU 75 HB2 LEU 75 12.474 0.879 -14.408 607 HB3 LEU 75 HB3 LEU 75 11.012 1.854 -14.468 608 HG LEU 75 HG LEU 75 12.647 2.652 -12.234 609 HD11 LEU 75 HD11 LEU 75 14.501 1.811 -13.546 610 HD12 LEU 75 HD12 LEU 75 14.526 3.573 -13.487 611 HD13 LEU 75 HD13 LEU 75 13.964 2.746 -14.941 612 HD21 LEU 75 HD21 LEU 75 11.795 4.083 -14.753 613 HD22 LEU 75 HD22 LEU 75 12.438 4.846 -13.298 614 HD23 LEU 75 HD23 LEU 75 10.885 4.008 -13.243 615 H TRP 76 H TRP 76 10.863 -1.656 -11.748 616 HA TRP 76 HA TRP 76 13.479 -1.853 -10.545 617 HB2 TRP 76 HB2 TRP 76 11.044 -3.614 -10.520 618 HB3 TRP 76 HB3 TRP 76 12.578 -4.161 -9.851 619 HD1 TRP 76 HD1 TRP 76 9.486 -2.464 -8.873 620 HE1 TRP 76 HE1 TRP 76 9.713 -1.365 -6.563 621 HE3 TRP 76 HE3 TRP 76 14.555 -2.710 -8.383 622 HZ2 TRP 76 HZ2 TRP 76 11.784 -0.682 -4.771 623 HZ3 TRP 76 HZ3 TRP 76 15.584 -1.810 -6.340 624 HH2 TRP 76 HH2 TRP 76 14.228 -0.813 -4.575 625 H THR 77 H THR 77 15.073 -2.267 -11.833 626 HA THR 77 HA THR 77 14.844 -4.476 -13.762 627 HB THR 77 HB THR 77 16.812 -3.410 -14.891 628 HG1 THR 77 HG1 THR 77 17.036 -1.071 -14.220 629 HG21 THR 77 HG21 THR 77 14.383 -1.630 -14.598 630 HG22 THR 77 HG22 THR 77 14.563 -2.964 -15.739 631 HG23 THR 77 HG23 THR 77 15.576 -1.529 -15.894 632 H GLY 78 H GLY 78 17.191 -5.474 -14.090 633 HA2 GLY 78 HA2 GLY 78 18.167 -6.542 -11.702 634 HA3 GLY 78 HA3 GLY 78 19.078 -6.454 -13.205 635 H ASP 79 H ASP 79 18.965 -3.602 -13.398 636 HA ASP 79 HA ASP 79 21.231 -2.818 -11.946 637 HB2 ASP 79 HB2 ASP 79 19.090 -1.144 -13.275 638 HB3 ASP 79 HB3 ASP 79 20.606 -0.506 -12.660 639 H GLN 80 H GLN 80 17.840 -1.695 -11.534 640 HA GLN 80 HA GLN 80 18.430 -0.283 -9.154 641 HB2 GLN 80 HB2 GLN 80 16.368 0.022 -10.687 642 HB3 GLN 80 HB3 GLN 80 15.671 -1.318 -9.784 643 HG2 GLN 80 HG2 GLN 80 15.881 -0.113 -7.719 644 HG3 GLN 80 HG3 GLN 80 16.720 1.202 -8.525 645 HE21 GLN 80 HE21 GLN 80 13.869 -0.480 -9.702 646 HE22 GLN 80 HE22 GLN 80 12.819 0.880 -9.626 647 H GLU 81 H GLU 81 17.579 -3.576 -9.788 648 HA GLU 81 HA GLU 81 16.691 -4.382 -7.263 649 HB2 GLU 81 HB2 GLU 81 16.535 -5.726 -9.344 650 HB3 GLU 81 HB3 GLU 81 18.270 -5.994 -9.279 651 HG2 GLU 81 HG2 GLU 81 18.084 -7.303 -7.318 652 HG3 GLU 81 HG3 GLU 81 16.405 -6.824 -7.082 653 H LEU 82 H LEU 82 19.991 -4.376 -8.633 654 HA LEU 82 HA LEU 82 21.102 -5.248 -6.141 655 HB2 LEU 82 HB2 LEU 82 23.292 -4.922 -7.200 656 HB3 LEU 82 HB3 LEU 82 22.218 -5.921 -8.152 657 HG LEU 82 HG LEU 82 21.742 -3.721 -9.466 658 HD11 LEU 82 HD11 LEU 82 24.400 -3.089 -8.187 659 HD12 LEU 82 HD12 LEU 82 22.892 -2.202 -7.962 660 HD13 LEU 82 HD13 LEU 82 23.679 -2.215 -9.540 661 HD21 LEU 82 HD21 LEU 82 22.857 -5.708 -10.361 662 HD22 LEU 82 HD22 LEU 82 24.388 -5.152 -9.684 663 HD23 LEU 82 HD23 LEU 82 23.600 -4.224 -10.961 664 H GLU 83 H GLU 83 20.445 -2.160 -7.629 665 HA GLU 83 HA GLU 83 22.083 -0.547 -6.010 666 HB2 GLU 83 HB2 GLU 83 19.371 0.067 -7.202 667 HB3 GLU 83 HB3 GLU 83 20.405 1.260 -6.430 668 HG2 GLU 83 HG2 GLU 83 22.156 0.734 -8.124 669 HG3 GLU 83 HG3 GLU 83 20.978 -0.291 -8.940 670 H LEU 84 H LEU 84 18.777 -1.737 -5.542 671 HA LEU 84 HA LEU 84 18.394 -0.580 -2.996 672 HB2 LEU 84 HB2 LEU 84 16.490 -1.381 -4.210 673 HB3 LEU 84 HB3 LEU 84 17.156 -3.002 -4.295 674 HG LEU 84 HG LEU 84 16.879 -3.266 -1.878 675 HD11 LEU 84 HD11 LEU 84 15.752 -1.608 -0.545 676 HD12 LEU 84 HD12 LEU 84 15.594 -0.545 -1.943 677 HD13 LEU 84 HD13 LEU 84 17.189 -0.900 -1.280 678 HD21 LEU 84 HD21 LEU 84 14.365 -2.300 -3.229 679 HD22 LEU 84 HD22 LEU 84 14.448 -3.332 -1.802 680 HD23 LEU 84 HD23 LEU 84 15.045 -3.922 -3.355 681 H GLN 85 H GLN 85 19.553 -3.761 -4.020 682 HA GLN 85 HA GLN 85 19.818 -4.987 -1.558 683 HB2 GLN 85 HB2 GLN 85 20.071 -6.140 -3.688 684 HB3 GLN 85 HB3 GLN 85 21.540 -5.237 -4.024 685 HG2 GLN 85 HG2 GLN 85 22.465 -6.287 -1.894 686 HG3 GLN 85 HG3 GLN 85 21.100 -7.393 -2.007 687 HE21 GLN 85 HE21 GLN 85 24.063 -6.374 -3.402 688 HE22 GLN 85 HE22 GLN 85 24.225 -7.682 -4.514 689 H ARG 86 H ARG 86 22.246 -3.099 -3.345 690 HA ARG 86 HA ARG 86 24.303 -3.355 -1.471 691 HB2 ARG 86 HB2 ARG 86 23.771 -1.184 -3.493 692 HB3 ARG 86 HB3 ARG 86 25.242 -1.284 -2.537 693 HG2 ARG 86 HG2 ARG 86 25.551 -3.601 -3.502 694 HG3 ARG 86 HG3 ARG 86 24.260 -3.194 -4.633 695 HD2 ARG 86 HD2 ARG 86 26.771 -1.565 -4.271 696 HD3 ARG 86 HD3 ARG 86 26.568 -2.799 -5.510 697 HE ARG 86 HE ARG 86 25.028 -1.413 -6.616 698 HH11 ARG 86 HH11 ARG 86 26.308 0.107 -3.731 699 HH12 ARG 86 HH12 ARG 86 25.890 1.710 -4.236 700 HH21 ARG 86 HH21 ARG 86 24.496 0.706 -7.298 701 HH22 ARG 86 HH22 ARG 86 24.864 2.056 -6.270 702 H LEU 87 H LEU 87 21.958 -0.696 -1.887 703 HA LEU 87 HA LEU 87 22.967 0.862 0.232 704 HB2 LEU 87 HB2 LEU 87 20.177 0.813 -0.903 705 HB3 LEU 87 HB3 LEU 87 20.825 2.062 0.143 706 HG LEU 87 HG LEU 87 21.635 1.435 -2.688 707 HD11 LEU 87 HD11 LEU 87 20.967 3.752 -3.058 708 HD12 LEU 87 HD12 LEU 87 20.510 3.886 -1.359 709 HD13 LEU 87 HD13 LEU 87 19.640 2.780 -2.422 710 HD21 LEU 87 HD21 LEU 87 23.668 1.878 -1.453 711 HD22 LEU 87 HD22 LEU 87 22.947 3.313 -0.727 712 HD23 LEU 87 HD23 LEU 87 23.267 3.269 -2.460 713 H PHE 88 H PHE 88 20.474 -1.611 0.114 714 HA PHE 88 HA PHE 88 19.439 -1.440 2.664 715 HB2 PHE 88 HB2 PHE 88 18.409 -2.967 1.200 716 HB3 PHE 88 HB3 PHE 88 19.931 -3.758 0.815 717 HD1 PHE 88 HD1 PHE 88 17.405 -3.321 3.493 718 HD2 PHE 88 HD2 PHE 88 20.661 -5.623 2.012 719 HE1 PHE 88 HE1 PHE 88 16.943 -5.056 5.177 720 HE2 PHE 88 HE2 PHE 88 20.208 -7.357 3.693 721 HZ PHE 88 HZ PHE 88 18.352 -7.073 5.275 722 H GLU 89 H GLU 89 22.345 -3.138 1.568 723 HA GLU 89 HA GLU 89 22.993 -4.015 4.232 724 HB2 GLU 89 HB2 GLU 89 24.658 -4.070 1.720 725 HB3 GLU 89 HB3 GLU 89 24.973 -4.975 3.195 726 HG2 GLU 89 HG2 GLU 89 22.817 -6.152 2.866 727 HG3 GLU 89 HG3 GLU 89 22.638 -5.306 1.331 728 H GLU 90 H GLU 90 23.837 -1.352 2.142 729 HA GLU 90 HA GLU 90 26.283 -0.694 3.446 730 HB2 GLU 90 HB2 GLU 90 24.561 0.532 1.367 731 HB3 GLU 90 HB3 GLU 90 25.743 1.567 2.160 732 HG2 GLU 90 HG2 GLU 90 27.489 -0.107 1.533 733 HG3 GLU 90 HG3 GLU 90 26.257 -0.946 0.592 734 H PHE 91 H PHE 91 22.946 0.353 3.858 735 HA PHE 91 HA PHE 91 23.860 2.114 6.044 736 HB2 PHE 91 HB2 PHE 91 21.285 2.222 4.460 737 HB3 PHE 91 HB3 PHE 91 21.698 3.294 5.792 738 HD1 PHE 91 HD1 PHE 91 24.092 4.464 5.473 739 HD2 PHE 91 HD2 PHE 91 21.593 3.022 2.343 740 HE1 PHE 91 HE1 PHE 91 25.183 6.003 3.896 741 HE2 PHE 91 HE2 PHE 91 22.682 4.560 0.763 742 HZ PHE 91 HZ PHE 91 24.478 6.050 1.537 743 H ARG 92 H ARG 92 23.175 -0.853 5.889 744 HA ARG 92 HA ARG 92 20.720 -1.335 7.191 745 HB2 ARG 92 HB2 ARG 92 22.027 -2.991 5.861 746 HB3 ARG 92 HB3 ARG 92 23.185 -3.072 7.178 747 HG2 ARG 92 HG2 ARG 92 21.290 -3.807 8.655 748 HG3 ARG 92 HG3 ARG 92 20.316 -3.948 7.192 749 HD2 ARG 92 HD2 ARG 92 21.565 -5.684 6.351 750 HD3 ARG 92 HD3 ARG 92 22.989 -5.257 7.287 751 HE ARG 92 HE ARG 92 20.868 -6.072 8.984 752 HH11 ARG 92 HH11 ARG 92 23.238 -7.343 6.746 753 HH12 ARG 92 HH12 ARG 92 23.440 -8.838 7.602 754 HH21 ARG 92 HH21 ARG 92 21.154 -8.051 10.135 755 HH22 ARG 92 HH22 ARG 92 22.266 -9.234 9.526 756 H ASP 93 H ASP 93 23.813 -0.396 8.384 757 HA ASP 93 HA ASP 93 23.437 -1.369 11.046 758 HB2 ASP 93 HB2 ASP 93 25.449 -0.101 11.606 759 HB3 ASP 93 HB3 ASP 93 25.687 -1.030 10.131 760 H SER 94 H SER 94 21.859 0.973 9.456 761 HA SER 94 HA SER 94 21.520 2.668 11.831 762 HB2 SER 94 HB2 SER 94 22.099 3.728 9.589 763 HB3 SER 94 HB3 SER 94 20.511 3.208 9.028 764 HG SER 94 HG SER 94 20.662 4.657 11.418 765 H ASP 95 H ASP 95 19.387 3.052 12.613 766 HA ASP 95 HA ASP 95 17.852 0.713 12.792 767 HB2 ASP 95 HB2 ASP 95 17.937 2.467 14.530 768 HB3 ASP 95 HB3 ASP 95 17.005 3.532 13.481 769 H ASP 96 H ASP 96 17.218 3.712 10.998 770 HA ASP 96 HA ASP 96 15.144 2.256 9.510 771 HB2 ASP 96 HB2 ASP 96 14.435 4.401 10.584 772 HB3 ASP 96 HB3 ASP 96 15.615 5.248 9.592 773 H VAL 97 H VAL 97 16.827 1.134 8.365 774 HA VAL 97 HA VAL 97 18.757 2.472 6.816 775 HB VAL 97 HB VAL 97 19.202 0.200 7.256 776 HG11 VAL 97 HG11 VAL 97 16.683 -0.615 5.828 777 HG12 VAL 97 HG12 VAL 97 16.844 -0.515 7.582 778 HG13 VAL 97 HG13 VAL 97 17.829 -1.663 6.669 779 HG21 VAL 97 HG21 VAL 97 19.957 0.911 5.068 780 HG22 VAL 97 HG22 VAL 97 18.420 0.419 4.357 781 HG23 VAL 97 HG23 VAL 97 19.505 -0.793 5.037 782 H LEU 98 H LEU 98 15.426 1.576 6.147 783 HA LEU 98 HA LEU 98 15.460 1.972 3.367 784 HB2 LEU 98 HB2 LEU 98 13.293 2.106 5.421 785 HB3 LEU 98 HB3 LEU 98 12.969 2.594 3.768 786 HG LEU 98 HG LEU 98 14.007 0.246 3.208 787 HD11 LEU 98 HD11 LEU 98 14.643 -0.298 5.488 788 HD12 LEU 98 HD12 LEU 98 13.432 -1.425 4.874 789 HD13 LEU 98 HD13 LEU 98 12.960 -0.152 6.000 790 HD21 LEU 98 HD21 LEU 98 11.755 0.996 2.664 791 HD22 LEU 98 HD22 LEU 98 11.226 0.606 4.300 792 HD23 LEU 98 HD23 LEU 98 11.763 -0.678 3.217 793 H GLY 99 H GLY 99 14.949 4.223 6.030 794 HA2 GLY 99 HA2 GLY 99 14.218 6.492 4.598 795 HA3 GLY 99 HA3 GLY 99 15.149 6.514 6.095 796 H HIS 100 H HIS 100 17.420 5.142 5.156 797 HA HIS 100 HA HIS 100 18.746 7.351 3.867 798 HB2 HIS 100 HB2 HIS 100 19.858 4.643 4.644 799 HB3 HIS 100 HB3 HIS 100 20.797 6.059 4.183 800 HD1 HIS 100 HD1 HIS 100 20.389 8.205 5.884 801 HD2 HIS 100 HD2 HIS 100 19.510 4.405 7.311 802 HE1 HIS 100 HE1 HIS 100 20.301 8.428 8.386 803 HE2 HIS 100 HE2 HIS 100 19.967 6.072 9.231 804 H ILE 101 H ILE 101 17.678 4.121 3.024 805 HA ILE 101 HA ILE 101 18.923 3.798 0.552 806 HB ILE 101 HB ILE 101 16.153 2.893 1.384 807 HG12 ILE 101 HG12 ILE 101 18.822 1.449 1.378 808 HG13 ILE 101 HG13 ILE 101 17.952 2.005 2.804 809 HG21 ILE 101 HG21 ILE 101 16.349 1.253 -0.437 810 HG22 ILE 101 HG22 ILE 101 17.876 1.984 -0.930 811 HG23 ILE 101 HG23 ILE 101 16.377 2.908 -1.044 812 HD11 ILE 101 HD11 ILE 101 16.123 0.462 2.268 813 HD12 ILE 101 HD12 ILE 101 17.658 -0.372 2.500 814 HD13 ILE 101 HD13 ILE 101 17.034 -0.112 0.873 815 H MET 102 H MET 102 15.592 4.947 1.105 816 HA MET 102 HA MET 102 15.250 5.722 -1.605 817 HB2 MET 102 HB2 MET 102 13.150 6.812 -0.783 818 HB3 MET 102 HB3 MET 102 13.305 5.110 -0.379 819 HG2 MET 102 HG2 MET 102 13.891 5.637 1.881 820 HG3 MET 102 HG3 MET 102 13.954 7.347 1.499 821 HE1 MET 102 HE1 MET 102 10.030 4.998 1.197 822 HE2 MET 102 HE2 MET 102 11.594 4.229 1.465 823 HE3 MET 102 HE3 MET 102 11.269 5.063 -0.058 824 H LYS 103 H LYS 103 16.762 7.273 1.015 825 HA LYS 103 HA LYS 103 16.322 9.951 0.046 826 HB2 LYS 103 HB2 LYS 103 16.716 9.391 2.455 827 HB3 LYS 103 HB3 LYS 103 18.376 8.992 2.043 828 HG2 LYS 103 HG2 LYS 103 18.317 11.194 2.961 829 HG3 LYS 103 HG3 LYS 103 18.690 11.310 1.241 830 HD2 LYS 103 HD2 LYS 103 17.085 13.026 1.896 831 HD3 LYS 103 HD3 LYS 103 16.348 11.880 0.775 832 HE2 LYS 103 HE2 LYS 103 15.207 10.767 2.578 833 HE3 LYS 103 HE3 LYS 103 16.059 11.744 3.773 834 HZ1 LYS 103 HZ1 LYS 103 13.813 12.545 3.408 835 HZ2 LYS 103 HZ2 LYS 103 14.127 12.774 1.764 836 HZ3 LYS 103 HZ3 LYS 103 14.940 13.706 2.916 837 H ASN 104 H ASN 104 19.013 7.622 0.024 838 HA ASN 104 HA ASN 104 20.670 9.590 -1.357 839 HB2 ASN 104 HB2 ASN 104 21.322 6.967 -0.024 840 HB3 ASN 104 HB3 ASN 104 22.500 7.872 -0.967 841 HD21 ASN 104 HD21 ASN 104 23.830 8.215 0.789 842 HD22 ASN 104 HD22 ASN 104 23.419 9.309 2.062 843 H ILE 105 H ILE 105 18.600 7.190 -2.340 844 HA ILE 105 HA ILE 105 20.286 6.338 -4.560 845 HB ILE 105 HB ILE 105 18.865 4.660 -3.463 846 HG12 ILE 105 HG12 ILE 105 17.869 3.678 -5.522 847 HG13 ILE 105 HG13 ILE 105 18.194 5.195 -6.355 848 HG21 ILE 105 HG21 ILE 105 16.545 6.194 -4.617 849 HG22 ILE 105 HG22 ILE 105 16.951 6.069 -2.907 850 HG23 ILE 105 HG23 ILE 105 16.449 4.634 -3.801 851 HD11 ILE 105 HD11 ILE 105 20.255 3.364 -5.146 852 HD12 ILE 105 HD12 ILE 105 20.587 4.889 -5.967 853 HD13 ILE 105 HD13 ILE 105 19.888 3.543 -6.862 854 H THR 106 H THR 106 19.521 6.486 -6.749 855 HA THR 106 HA THR 106 18.988 9.159 -7.414 856 HB THR 106 HB THR 106 20.385 7.585 -8.720 857 HG1 THR 106 HG1 THR 106 18.643 9.415 -9.649 858 HG21 THR 106 HG21 THR 106 19.281 6.086 -10.341 859 HG22 THR 106 HG22 THR 106 17.732 6.425 -9.571 860 HG23 THR 106 HG23 THR 106 19.006 5.601 -8.669 861 H ALA 107 H ALA 107 16.913 6.305 -7.302 862 HA ALA 107 HA ALA 107 14.685 7.874 -8.368 863 HB1 ALA 107 HB1 ALA 107 14.824 4.937 -7.695 864 HB2 ALA 107 HB2 ALA 107 15.041 5.634 -9.301 865 HB3 ALA 107 HB3 ALA 107 13.482 5.764 -8.488 866 H LYS 108 H LYS 108 13.248 8.787 -7.033 867 HA LYS 108 HA LYS 108 13.415 8.264 -4.205 868 HB2 LYS 108 HB2 LYS 108 11.931 10.196 -5.921 869 HB3 LYS 108 HB3 LYS 108 11.267 9.838 -4.336 870 HG2 LYS 108 HG2 LYS 108 12.717 11.855 -4.414 871 HG3 LYS 108 HG3 LYS 108 13.226 10.641 -3.242 872 HD2 LYS 108 HD2 LYS 108 14.450 10.298 -5.871 873 HD3 LYS 108 HD3 LYS 108 14.839 11.846 -5.114 874 HE2 LYS 108 HE2 LYS 108 15.095 9.204 -3.676 875 HE3 LYS 108 HE3 LYS 108 16.416 9.924 -4.608 876 HZ1 LYS 108 HZ1 LYS 108 16.576 10.463 -2.261 877 HZ2 LYS 108 HZ2 LYS 108 15.048 11.185 -2.292 878 HZ3 LYS 108 HZ3 LYS 108 16.319 11.863 -3.175 879 H ARG 109 H ARG 109 12.687 6.353 -3.622 880 HA ARG 109 HA ARG 109 10.201 5.353 -4.804 881 HB2 ARG 109 HB2 ARG 109 12.077 3.833 -3.002 882 HB3 ARG 109 HB3 ARG 109 10.840 3.180 -4.063 883 HG2 ARG 109 HG2 ARG 109 12.145 3.896 -6.007 884 HG3 ARG 109 HG3 ARG 109 13.394 4.516 -4.925 885 HD2 ARG 109 HD2 ARG 109 13.432 2.153 -3.937 886 HD3 ARG 109 HD3 ARG 109 12.544 1.674 -5.384 887 HE ARG 109 HE ARG 109 14.487 2.657 -6.648 888 HH11 ARG 109 HH11 ARG 109 14.851 1.335 -3.422 889 HH12 ARG 109 HH12 ARG 109 16.539 1.004 -3.608 890 HH21 ARG 109 HH21 ARG 109 16.726 2.239 -6.890 891 HH22 ARG 109 HH22 ARG 109 17.608 1.513 -5.583 892 H SER 110 H SER 110 8.728 4.250 -3.349 893 HA SER 110 HA SER 110 8.510 5.636 -0.786 894 HB2 SER 110 HB2 SER 110 6.165 4.465 -0.887 895 HB3 SER 110 HB3 SER 110 6.473 5.866 -1.911 896 HG SER 110 HG SER 110 6.142 4.653 -3.568 897 H ARG 111 H ARG 111 7.501 4.195 0.991 898 HA ARG 111 HA ARG 111 9.484 2.275 1.602 899 HB2 ARG 111 HB2 ARG 111 6.870 2.965 2.943 900 HB3 ARG 111 HB3 ARG 111 8.022 1.812 3.606 901 HG2 ARG 111 HG2 ARG 111 8.697 4.675 2.975 902 HG3 ARG 111 HG3 ARG 111 8.172 4.112 4.561 903 HD2 ARG 111 HD2 ARG 111 10.080 2.659 4.736 904 HD3 ARG 111 HD3 ARG 111 10.560 3.024 3.082 905 HE ARG 111 HE ARG 111 11.073 5.280 3.821 906 HH11 ARG 111 HH11 ARG 111 10.685 2.842 6.311 907 HH12 ARG 111 HH12 ARG 111 11.661 3.695 7.463 908 HH21 ARG 111 HH21 ARG 111 12.285 6.429 5.383 909 HH22 ARG 111 HH22 ARG 111 12.544 5.726 6.954 910 H ALA 112 H ALA 112 6.098 1.995 0.629 911 HA ALA 112 HA ALA 112 5.837 -0.776 0.882 912 HB1 ALA 112 HB1 ALA 112 3.954 0.753 0.528 913 HB2 ALA 112 HB2 ALA 112 3.949 -0.578 -0.629 914 HB3 ALA 112 HB3 ALA 112 4.495 1.022 -1.126 915 H ARG 113 H ARG 113 7.436 1.132 -1.535 916 HA ARG 113 HA ARG 113 7.542 -1.014 -3.468 917 HB2 ARG 113 HB2 ARG 113 8.761 1.739 -3.399 918 HB3 ARG 113 HB3 ARG 113 9.049 0.595 -4.705 919 HG2 ARG 113 HG2 ARG 113 6.378 1.706 -3.874 920 HG3 ARG 113 HG3 ARG 113 7.307 2.166 -5.304 921 HD2 ARG 113 HD2 ARG 113 5.702 0.628 -6.085 922 HD3 ARG 113 HD3 ARG 113 7.222 -0.275 -5.961 923 HE ARG 113 HE ARG 113 6.034 -0.743 -3.573 924 HH11 ARG 113 HH11 ARG 113 4.699 -0.956 -6.788 925 HH12 ARG 113 HH12 ARG 113 3.831 -2.426 -6.465 926 HH21 ARG 113 HH21 ARG 113 4.859 -2.650 -3.126 927 HH22 ARG 113 HH22 ARG 113 3.914 -3.378 -4.385 928 H ILE 114 H ILE 114 9.578 0.345 -1.007 929 HA ILE 114 HA ILE 114 11.879 -1.077 -1.982 930 HB ILE 114 HB ILE 114 11.463 0.597 0.493 931 HG12 ILE 114 HG12 ILE 114 13.006 1.049 -2.070 932 HG13 ILE 114 HG13 ILE 114 11.471 1.796 -1.647 933 HG21 ILE 114 HG21 ILE 114 13.996 -0.712 -0.485 934 HG22 ILE 114 HG22 ILE 114 13.125 -1.112 0.994 935 HG23 ILE 114 HG23 ILE 114 13.899 0.467 0.822 936 HD11 ILE 114 HD11 ILE 114 13.337 3.332 -1.317 937 HD12 ILE 114 HD12 ILE 114 14.080 2.202 -0.187 938 HD13 ILE 114 HD13 ILE 114 12.542 2.966 0.213 939 H VAL 115 H VAL 115 9.640 -1.329 0.767 940 HA VAL 115 HA VAL 115 10.957 -3.490 2.015 941 HB VAL 115 HB VAL 115 8.921 -3.886 3.271 942 HG11 VAL 115 HG11 VAL 115 10.334 -2.002 3.932 943 HG12 VAL 115 HG12 VAL 115 8.634 -1.706 4.302 944 HG13 VAL 115 HG13 VAL 115 9.380 -0.934 2.903 945 HG21 VAL 115 HG21 VAL 115 7.255 -3.680 1.526 946 HG22 VAL 115 HG22 VAL 115 7.592 -1.956 1.375 947 HG23 VAL 115 HG23 VAL 115 6.868 -2.585 2.855 948 H ASP 116 H ASP 116 8.466 -3.335 -0.466 949 HA ASP 116 HA ASP 116 7.812 -6.083 -0.449 950 HB2 ASP 116 HB2 ASP 116 6.229 -4.655 -1.361 951 HB3 ASP 116 HB3 ASP 116 7.398 -3.836 -2.393 952 H LYS 117 H LYS 117 10.067 -4.188 -2.427 953 HA LYS 117 HA LYS 117 10.820 -6.365 -4.084 954 HB2 LYS 117 HB2 LYS 117 11.173 -3.977 -4.679 955 HB3 LYS 117 HB3 LYS 117 12.395 -3.869 -3.422 956 HG2 LYS 117 HG2 LYS 117 13.444 -4.120 -5.574 957 HG3 LYS 117 HG3 LYS 117 13.732 -5.562 -4.598 958 HD2 LYS 117 HD2 LYS 117 11.968 -6.741 -5.794 959 HD3 LYS 117 HD3 LYS 117 11.619 -5.289 -6.738 960 HE2 LYS 117 HE2 LYS 117 13.830 -5.363 -7.722 961 HE3 LYS 117 HE3 LYS 117 14.258 -6.745 -6.718 962 HZ1 LYS 117 HZ1 LYS 117 13.686 -7.465 -8.926 963 HZ2 LYS 117 HZ2 LYS 117 12.178 -6.700 -8.838 964 HZ3 LYS 117 HZ3 LYS 117 12.517 -8.021 -7.838 965 H LEU 118 H LEU 118 11.868 -5.172 -0.986 966 HA LEU 118 HA LEU 118 14.276 -6.623 -0.755 967 HB2 LEU 118 HB2 LEU 118 12.974 -4.772 0.770 968 HB3 LEU 118 HB3 LEU 118 12.721 -6.238 1.702 969 HG LEU 118 HG LEU 118 15.209 -6.594 1.653 970 HD11 LEU 118 HD11 LEU 118 15.719 -5.179 -0.271 971 HD12 LEU 118 HD12 LEU 118 16.619 -4.664 1.155 972 HD13 LEU 118 HD13 LEU 118 15.201 -3.756 0.633 973 HD21 LEU 118 HD21 LEU 118 14.066 -5.722 3.603 974 HD22 LEU 118 HD22 LEU 118 14.170 -4.082 2.953 975 HD23 LEU 118 HD23 LEU 118 15.639 -4.949 3.409 976 H LEU 119 H LEU 119 10.919 -7.384 0.091 977 HA LEU 119 HA LEU 119 11.496 -9.859 1.361 978 HB2 LEU 119 HB2 LEU 119 8.918 -9.232 -0.069 979 HB3 LEU 119 HB3 LEU 119 9.162 -10.352 1.252 980 HG LEU 119 HG LEU 119 8.751 -7.415 1.305 981 HD11 LEU 119 HD11 LEU 119 7.416 -7.982 3.241 982 HD12 LEU 119 HD12 LEU 119 7.971 -9.652 3.141 983 HD13 LEU 119 HD13 LEU 119 6.972 -8.976 1.851 984 HD21 LEU 119 HD21 LEU 119 10.269 -8.801 3.489 985 HD22 LEU 119 HD22 LEU 119 9.716 -7.123 3.462 986 HD23 LEU 119 HD23 LEU 119 10.963 -7.659 2.338 987 H ALA 120 H ALA 120 11.292 -8.843 -1.894 988 HA ALA 120 HA ALA 120 10.664 -11.404 -3.038 989 HB1 ALA 120 HB1 ALA 120 10.022 -9.306 -4.141 990 HB2 ALA 120 HB2 ALA 120 11.018 -10.325 -5.180 991 HB3 ALA 120 HB3 ALA 120 11.727 -8.922 -4.380 992 H LEU 121 H LEU 121 13.568 -9.366 -2.827 993 HA LEU 121 HA LEU 121 15.402 -11.268 -3.812 994 HB2 LEU 121 HB2 LEU 121 15.625 -8.918 -1.966 995 HB3 LEU 121 HB3 LEU 121 16.993 -9.987 -2.183 996 HG LEU 121 HG LEU 121 17.017 -9.469 -4.585 997 HD11 LEU 121 HD11 LEU 121 15.662 -7.669 -5.476 998 HD12 LEU 121 HD12 LEU 121 14.842 -7.491 -3.929 999 HD13 LEU 121 HD13 LEU 121 14.633 -8.965 -4.874 1000 HD21 LEU 121 HD21 LEU 121 17.050 -7.064 -2.770 1001 HD22 LEU 121 HD22 LEU 121 17.810 -7.162 -4.360 1002 HD23 LEU 121 HD23 LEU 121 18.388 -8.182 -3.041 1003 H GLY 122 H GLY 122 13.674 -10.968 -0.883 1004 HA2 GLY 122 HA2 GLY 122 13.550 -12.247 0.995 1005 HA3 GLY 122 HA3 GLY 122 14.516 -13.467 0.156 1006 H LEU 123 H LEU 123 15.504 -10.170 0.619 1007 HA LEU 123 HA LEU 123 17.851 -10.819 2.091 1008 HB2 LEU 123 HB2 LEU 123 16.358 -8.253 1.550 1009 HB3 LEU 123 HB3 LEU 123 17.836 -8.292 2.507 1010 HG LEU 123 HG LEU 123 17.593 -9.153 -0.381 1011 HD11 LEU 123 HD11 LEU 123 18.817 -6.681 0.830 1012 HD12 LEU 123 HD12 LEU 123 17.339 -6.750 -0.130 1013 HD13 LEU 123 HD13 LEU 123 18.891 -7.142 -0.872 1014 HD21 LEU 123 HD21 LEU 123 20.065 -9.198 -0.302 1015 HD22 LEU 123 HD22 LEU 123 19.324 -10.403 0.750 1016 HD23 LEU 123 HD23 LEU 123 19.990 -8.922 1.438 1017 H VAL 124 H VAL 124 14.594 -10.235 2.765 1018 HA VAL 124 HA VAL 124 15.004 -10.765 5.616 1019 HB VAL 124 HB VAL 124 13.122 -9.211 6.128 1020 HG11 VAL 124 HG11 VAL 124 15.514 -7.895 4.835 1021 HG12 VAL 124 HG12 VAL 124 15.456 -8.527 6.479 1022 HG13 VAL 124 HG13 VAL 124 14.441 -7.161 6.026 1023 HG21 VAL 124 HG21 VAL 124 12.425 -7.582 4.486 1024 HG22 VAL 124 HG22 VAL 124 12.191 -9.200 3.834 1025 HG23 VAL 124 HG23 VAL 124 13.569 -8.227 3.312 1026 H ALA 125 H ALA 125 12.879 -11.428 6.612 1027 HA ALA 125 HA ALA 125 11.404 -13.126 4.706 1028 HB1 ALA 125 HB1 ALA 125 10.784 -14.473 6.648 1029 HB2 ALA 125 HB2 ALA 125 11.641 -13.353 7.706 1030 HB3 ALA 125 HB3 ALA 125 12.535 -14.311 6.524 1031 H GLU 126 H GLU 126 11.154 -10.232 6.226 1032 HA GLU 126 HA GLU 126 8.370 -9.924 5.887 1033 HB2 GLU 126 HB2 GLU 126 7.617 -9.792 8.145 1034 HB3 GLU 126 HB3 GLU 126 8.455 -11.327 7.998 1035 HG2 GLU 126 HG2 GLU 126 10.354 -10.505 9.146 1036 HG3 GLU 126 HG3 GLU 126 9.770 -8.848 9.065 1037 H ARG 127 H ARG 127 7.710 -7.771 7.068 1038 HA ARG 127 HA ARG 127 9.646 -5.839 6.199 1039 HB2 ARG 127 HB2 ARG 127 6.833 -5.686 7.205 1040 HB3 ARG 127 HB3 ARG 127 7.795 -4.229 6.978 1041 HG2 ARG 127 HG2 ARG 127 7.862 -4.454 4.709 1042 HG3 ARG 127 HG3 ARG 127 7.645 -6.202 4.761 1043 HD2 ARG 127 HD2 ARG 127 5.671 -5.155 3.871 1044 HD3 ARG 127 HD3 ARG 127 5.315 -5.867 5.440 1045 HE ARG 127 HE ARG 127 5.939 -3.268 6.001 1046 HH11 ARG 127 HH11 ARG 127 3.615 -4.850 3.922 1047 HH12 ARG 127 HH12 ARG 127 2.440 -3.584 4.049 1048 HH21 ARG 127 HH21 ARG 127 4.393 -1.587 6.167 1049 HH22 ARG 127 HH22 ARG 127 2.886 -1.718 5.314 1050 H ARG 128 H ARG 128 8.800 -7.233 9.198 1051 HA ARG 128 HA ARG 128 9.351 -5.085 10.935 1052 HB2 ARG 128 HB2 ARG 128 8.102 -7.106 11.543 1053 HB3 ARG 128 HB3 ARG 128 9.578 -8.050 11.425 1054 HG2 ARG 128 HG2 ARG 128 10.532 -6.621 13.243 1055 HG3 ARG 128 HG3 ARG 128 8.921 -5.916 13.435 1056 HD2 ARG 128 HD2 ARG 128 9.922 -8.605 14.151 1057 HD3 ARG 128 HD3 ARG 128 8.721 -7.594 14.956 1058 HE ARG 128 HE ARG 128 8.207 -9.208 12.533 1059 HH11 ARG 128 HH11 ARG 128 7.105 -7.783 15.552 1060 HH12 ARG 128 HH12 ARG 128 5.519 -8.470 15.430 1061 HH21 ARG 128 HH21 ARG 128 6.136 -10.078 12.374 1062 HH22 ARG 128 HH22 ARG 128 4.965 -9.777 13.623 1063 H GLU 129 H GLU 129 11.478 -7.457 9.435 1064 HA GLU 129 HA GLU 129 13.629 -7.189 11.261 1065 HB2 GLU 129 HB2 GLU 129 13.766 -8.051 8.374 1066 HB3 GLU 129 HB3 GLU 129 14.974 -8.352 9.609 1067 HG2 GLU 129 HG2 GLU 129 13.219 -9.671 10.842 1068 HG3 GLU 129 HG3 GLU 129 12.228 -9.534 9.389 1069 H LEU 130 H LEU 130 12.734 -5.447 8.366 1070 HA LEU 130 HA LEU 130 15.347 -4.272 8.062 1071 HB2 LEU 130 HB2 LEU 130 14.019 -2.904 6.275 1072 HB3 LEU 130 HB3 LEU 130 14.459 -4.575 5.990 1073 HG LEU 130 HG LEU 130 11.798 -4.122 7.217 1074 HD11 LEU 130 HD11 LEU 130 10.794 -3.674 5.021 1075 HD12 LEU 130 HD12 LEU 130 12.409 -3.443 4.350 1076 HD13 LEU 130 HD13 LEU 130 11.801 -2.344 5.589 1077 HD21 LEU 130 HD21 LEU 130 11.273 -5.844 5.395 1078 HD22 LEU 130 HD22 LEU 130 12.288 -6.360 6.742 1079 HD23 LEU 130 HD23 LEU 130 13.021 -5.958 5.187 1080 H TYR 131 H TYR 131 13.347 -3.696 10.373 1081 HA TYR 131 HA TYR 131 13.969 -0.820 10.398 1082 HB2 TYR 131 HB2 TYR 131 11.456 -2.157 11.430 1083 HB3 TYR 131 HB3 TYR 131 11.895 -0.486 11.769 1084 HD1 TYR 131 HD1 TYR 131 12.191 1.079 9.750 1085 HD2 TYR 131 HD2 TYR 131 10.236 -2.689 9.509 1086 HE1 TYR 131 HE1 TYR 131 11.067 1.799 7.690 1087 HE2 TYR 131 HE2 TYR 131 9.109 -1.982 7.446 1088 HH TYR 131 HH TYR 131 8.484 0.029 6.285 1089 H LYS 132 H LYS 132 15.723 -2.641 11.324 1090 HA LYS 132 HA LYS 132 15.541 -2.323 14.231 1091 HB2 LYS 132 HB2 LYS 132 16.308 -4.808 12.711 1092 HB3 LYS 132 HB3 LYS 132 16.716 -4.574 14.406 1093 HG2 LYS 132 HG2 LYS 132 13.910 -4.504 13.320 1094 HG3 LYS 132 HG3 LYS 132 14.677 -5.938 14.009 1095 HD2 LYS 132 HD2 LYS 132 14.833 -4.943 16.150 1096 HD3 LYS 132 HD3 LYS 132 14.450 -3.343 15.517 1097 HE2 LYS 132 HE2 LYS 132 12.575 -5.701 15.559 1098 HE3 LYS 132 HE3 LYS 132 12.552 -4.356 16.701 1099 HZ1 LYS 132 HZ1 LYS 132 12.128 -2.855 14.836 1100 HZ2 LYS 132 HZ2 LYS 132 10.916 -4.020 14.989 1101 HZ3 LYS 132 HZ3 LYS 132 12.082 -4.172 13.775 1102 H LYS 133 H LYS 133 17.825 -3.035 15.161 1103 HA LYS 133 HA LYS 133 19.768 -1.290 13.906 1104 HB2 LYS 133 HB2 LYS 133 20.018 -2.935 16.428 1105 HB3 LYS 133 HB3 LYS 133 21.111 -1.668 15.902 1106 HG2 LYS 133 HG2 LYS 133 18.233 -1.273 16.683 1107 HG3 LYS 133 HG3 LYS 133 19.637 -0.907 17.684 1108 HD2 LYS 133 HD2 LYS 133 20.398 0.639 15.840 1109 HD3 LYS 133 HD3 LYS 133 18.814 0.402 15.102 1110 HE2 LYS 133 HE2 LYS 133 19.343 1.509 17.854 1111 HE3 LYS 133 HE3 LYS 133 18.865 2.443 16.438 1112 HZ1 LYS 133 HZ1 LYS 133 16.957 2.035 17.794 1113 HZ2 LYS 133 HZ2 LYS 133 17.256 0.373 17.827 1114 HZ3 LYS 133 HZ3 LYS 133 16.796 1.117 16.376 1115 H ARG 134 H ARG 134 22.108 -2.151 13.931 1116 HA ARG 134 HA ARG 134 22.319 -4.358 12.225 1117 HB2 ARG 134 HB2 ARG 134 24.699 -4.127 12.351 1118 HB3 ARG 134 HB3 ARG 134 23.994 -2.528 12.321 1119 HG2 ARG 134 HG2 ARG 134 24.953 -3.891 14.821 1120 HG3 ARG 134 HG3 ARG 134 25.942 -2.802 13.850 1121 HD2 ARG 134 HD2 ARG 134 24.192 -1.042 14.222 1122 HD3 ARG 134 HD3 ARG 134 23.414 -2.152 15.353 1123 HE ARG 134 HE ARG 134 26.176 -1.715 15.958 1124 HH11 ARG 134 HH11 ARG 134 22.945 -0.433 16.349 1125 HH12 ARG 134 HH12 ARG 134 23.336 0.478 17.767 1126 HH21 ARG 134 HH21 ARG 134 26.690 -0.530 17.844 1127 HH22 ARG 134 HH22 ARG 134 25.460 0.405 18.634 1128 H GLN 135 H GLN 135 21.054 -5.919 13.442 1129 HA GLN 135 HA GLN 135 22.823 -7.483 15.197 1130 HB2 GLN 135 HB2 GLN 135 20.949 -8.607 16.113 1131 HB3 GLN 135 HB3 GLN 135 20.494 -6.910 16.069 1132 HG2 GLN 135 HG2 GLN 135 19.748 -8.617 13.760 1133 HG3 GLN 135 HG3 GLN 135 18.864 -8.824 15.270 1134 HE21 GLN 135 HE21 GLN 135 18.032 -7.783 12.640 1135 HE22 GLN 135 HE22 GLN 135 17.394 -6.209 12.948 1136 H LYS 136 H LYS 136 22.510 -9.918 14.882 1137 HA LYS 136 HA LYS 136 23.390 -10.834 12.464 1138 HB2 LYS 136 HB2 LYS 136 21.504 -12.321 14.297 1139 HB3 LYS 136 HB3 LYS 136 22.552 -13.049 13.094 1140 HG2 LYS 136 HG2 LYS 136 24.511 -12.298 14.348 1141 HG3 LYS 136 HG3 LYS 136 23.453 -11.569 15.557 1142 HD2 LYS 136 HD2 LYS 136 23.528 -14.499 14.837 1143 HD3 LYS 136 HD3 LYS 136 24.288 -13.780 16.256 1144 HE2 LYS 136 HE2 LYS 136 22.110 -13.062 17.080 1145 HE3 LYS 136 HE3 LYS 136 21.332 -13.715 15.641 1146 HZ1 LYS 136 HZ1 LYS 136 22.818 -15.301 17.659 1147 HZ2 LYS 136 HZ2 LYS 136 22.025 -15.919 16.297 1148 HZ3 LYS 136 HZ3 LYS 136 21.135 -15.196 17.536 1149 H LYS 137 H LYS 137 22.492 -11.594 10.556 1150 HA LYS 137 HA LYS 137 19.822 -10.805 9.881 1151 HB2 LYS 137 HB2 LYS 137 21.974 -11.304 8.358 1152 HB3 LYS 137 HB3 LYS 137 21.250 -12.900 8.301 1153 HG2 LYS 137 HG2 LYS 137 19.863 -10.352 7.481 1154 HG3 LYS 137 HG3 LYS 137 20.653 -11.473 6.378 1155 HD2 LYS 137 HD2 LYS 137 18.580 -12.345 6.183 1156 HD3 LYS 137 HD3 LYS 137 18.990 -13.160 7.693 1157 HE2 LYS 137 HE2 LYS 137 17.934 -11.317 8.943 1158 HE3 LYS 137 HE3 LYS 137 17.481 -10.561 7.417 1159 HZ1 LYS 137 HZ1 LYS 137 16.608 -13.271 8.265 1160 HZ2 LYS 137 HZ2 LYS 137 16.078 -12.412 6.905 1161 HZ3 LYS 137 HZ3 LYS 137 15.676 -11.866 8.461 1162 H LEU 138 H LEU 138 18.310 -11.752 11.099 1163 HA LEU 138 HA LEU 138 18.478 -14.309 12.242 1164 HB2 LEU 138 HB2 LEU 138 16.013 -12.650 11.710 1165 HB3 LEU 138 HB3 LEU 138 16.133 -13.976 12.846 1166 HG LEU 138 HG LEU 138 17.658 -11.379 13.065 1167 HD11 LEU 138 HD11 LEU 138 15.268 -11.047 13.391 1168 HD12 LEU 138 HD12 LEU 138 16.142 -10.878 14.913 1169 HD13 LEU 138 HD13 LEU 138 15.240 -12.354 14.575 1170 HD21 LEU 138 HD21 LEU 138 17.382 -13.678 14.998 1171 HD22 LEU 138 HD22 LEU 138 18.216 -12.157 15.312 1172 HD23 LEU 138 HD23 LEU 138 18.831 -13.264 14.084 1173 H ALA 139 H ALA 139 16.827 -16.031 11.911 1174 HA ALA 139 HA ALA 139 16.722 -16.892 9.193 1175 HB1 ALA 139 HB1 ALA 139 16.907 -18.396 11.183 1176 HB2 ALA 139 HB2 ALA 139 15.632 -18.848 10.057 1177 HB3 ALA 139 HB3 ALA 139 15.227 -18.020 11.561 1178 H SER 140 H SER 140 14.006 -18.013 9.261 1179 HA SER 140 HA SER 140 12.534 -15.872 8.188 1180 HB2 SER 140 HB2 SER 140 12.120 -18.298 7.705 1181 HB3 SER 140 HB3 SER 140 11.430 -18.458 9.318 1182 HG SER 140 HG SER 140 9.734 -17.215 8.739 1183 H SER 141 H SER 141 12.196 -14.120 9.462 1184 HA SER 141 HA SER 141 11.483 -14.386 12.226 1185 HB2 SER 141 HB2 SER 141 12.868 -12.507 11.313 1186 HB3 SER 141 HB3 SER 141 11.437 -11.916 10.472 1187 HG SER 141 HG SER 141 10.647 -11.177 12.281 Start of MODEL 11 1 H1 ASP 1 HT1 ASP 1 -26.882 1.527 -9.593 2 H2 ASP 1 HT2 ASP 1 -26.977 -0.122 -9.944 3 H3 ASP 1 HT3 ASP 1 -25.835 0.437 -8.837 4 HA ASP 1 HA ASP 1 -28.760 0.598 -8.508 5 HB2 ASP 1 HB2 ASP 1 -26.752 -1.378 -7.456 6 HB3 ASP 1 HB3 ASP 1 -28.267 -1.078 -6.608 7 HA PRO 2 HA PRO 2 -26.991 2.212 -4.455 8 HB2 PRO 2 HB2 PRO 2 -24.409 2.191 -3.830 9 HB3 PRO 2 HB3 PRO 2 -25.357 0.699 -3.787 10 HG2 PRO 2 HG2 PRO 2 -23.475 1.685 -5.902 11 HG3 PRO 2 HG3 PRO 2 -23.632 0.057 -5.216 12 HD2 PRO 2 HD2 PRO 2 -24.764 0.853 -7.594 13 HD3 PRO 2 HD3 PRO 2 -25.368 -0.483 -6.595 14 H SER 3 H SER 3 -26.554 3.479 -7.259 15 HA SER 3 HA SER 3 -24.844 5.732 -6.496 16 HB2 SER 3 HB2 SER 3 -25.912 4.975 -9.223 17 HB3 SER 3 HB3 SER 3 -24.711 6.219 -8.882 18 HG SER 3 HG SER 3 -23.483 4.393 -7.887 19 H ARG 4 H ARG 4 -27.791 5.181 -5.803 20 HA ARG 4 HA ARG 4 -29.087 7.474 -7.040 21 HB2 ARG 4 HB2 ARG 4 -30.108 5.535 -4.958 22 HB3 ARG 4 HB3 ARG 4 -31.061 6.797 -5.721 23 HG2 ARG 4 HG2 ARG 4 -30.599 5.684 -7.918 24 HG3 ARG 4 HG3 ARG 4 -29.889 4.348 -7.007 25 HD2 ARG 4 HD2 ARG 4 -32.185 3.824 -7.526 26 HD3 ARG 4 HD3 ARG 4 -32.029 4.099 -5.793 27 HE ARG 4 HE ARG 4 -33.128 6.082 -7.685 28 HH11 ARG 4 HH11 ARG 4 -33.046 4.589 -4.517 29 HH12 ARG 4 HH12 ARG 4 -34.379 5.513 -3.906 30 HH21 ARG 4 HH21 ARG 4 -34.890 7.293 -6.883 31 HH22 ARG 4 HH22 ARG 4 -35.438 7.047 -5.256 32 H ARG 5 H ARG 5 -30.471 8.808 -5.335 33 HA ARG 5 HA ARG 5 -28.623 10.184 -3.682 34 HB2 ARG 5 HB2 ARG 5 -30.804 11.083 -4.746 35 HB3 ARG 5 HB3 ARG 5 -31.614 10.363 -3.365 36 HG2 ARG 5 HG2 ARG 5 -29.471 12.479 -3.232 37 HG3 ARG 5 HG3 ARG 5 -31.201 12.757 -3.056 38 HD2 ARG 5 HD2 ARG 5 -31.171 11.242 -1.069 39 HD3 ARG 5 HD3 ARG 5 -29.416 11.150 -1.220 40 HE ARG 5 HE ARG 5 -30.655 13.792 -0.936 41 HH11 ARG 5 HH11 ARG 5 -28.740 11.222 0.475 42 HH12 ARG 5 HH12 ARG 5 -28.190 12.192 1.801 43 HH21 ARG 5 HH21 ARG 5 -29.920 15.067 0.808 44 HH22 ARG 5 HH22 ARG 5 -28.856 14.378 1.990 45 H ALA 6 H ALA 6 -27.723 8.857 -2.210 46 HA ALA 6 HA ALA 6 -29.523 7.674 -0.212 47 HB1 ALA 6 HB1 ALA 6 -26.683 6.889 -0.911 48 HB2 ALA 6 HB2 ALA 6 -28.149 6.040 -1.408 49 HB3 ALA 6 HB3 ALA 6 -27.713 6.116 0.296 50 HA PRO 7 HA PRO 7 -27.937 10.469 2.896 51 HB2 PRO 7 HB2 PRO 7 -27.790 8.081 4.654 52 HB3 PRO 7 HB3 PRO 7 -28.614 9.623 4.912 53 HG2 PRO 7 HG2 PRO 7 -29.997 7.435 4.308 54 HG3 PRO 7 HG3 PRO 7 -30.446 9.008 3.622 55 HD2 PRO 7 HD2 PRO 7 -28.982 6.728 2.351 56 HD3 PRO 7 HD3 PRO 7 -30.216 7.800 1.660 57 H THR 8 H THR 8 -26.177 10.471 4.669 58 HA THR 8 HA THR 8 -23.693 9.700 3.380 59 HB THR 8 HB THR 8 -23.933 11.986 4.197 60 HG1 THR 8 HG1 THR 8 -21.996 10.952 5.912 61 HG21 THR 8 HG21 THR 8 -24.005 10.777 6.954 62 HG22 THR 8 HG22 THR 8 -25.362 11.562 6.145 63 HG23 THR 8 HG23 THR 8 -23.933 12.498 6.580 64 H TRP 9 H TRP 9 -21.919 8.809 4.656 65 HA TRP 9 HA TRP 9 -22.628 6.459 5.961 66 HB2 TRP 9 HB2 TRP 9 -20.039 7.994 6.102 67 HB3 TRP 9 HB3 TRP 9 -20.259 6.384 6.762 68 HD1 TRP 9 HD1 TRP 9 -19.553 8.234 3.575 69 HE1 TRP 9 HE1 TRP 9 -19.035 6.540 1.714 70 HE3 TRP 9 HE3 TRP 9 -21.003 3.917 5.941 71 HZ2 TRP 9 HZ2 TRP 9 -19.174 3.768 1.319 72 HZ3 TRP 9 HZ3 TRP 9 -20.783 1.777 4.707 73 HH2 TRP 9 HH2 TRP 9 -19.881 1.731 2.456 74 H SER 10 H SER 10 -23.809 6.485 7.792 75 HA SER 10 HA SER 10 -23.146 8.162 10.028 76 HB2 SER 10 HB2 SER 10 -25.426 7.272 9.756 77 HB3 SER 10 HB3 SER 10 -24.810 5.624 9.826 78 HG SER 10 HG SER 10 -25.218 7.469 11.865 79 HA PRO 11 HA PRO 11 -19.662 5.890 11.712 80 HB2 PRO 11 HB2 PRO 11 -21.279 5.783 14.226 81 HB3 PRO 11 HB3 PRO 11 -19.589 6.251 13.996 82 HG2 PRO 11 HG2 PRO 11 -21.443 8.111 14.357 83 HG3 PRO 11 HG3 PRO 11 -20.145 8.355 13.177 84 HD2 PRO 11 HD2 PRO 11 -23.013 7.677 12.724 85 HD3 PRO 11 HD3 PRO 11 -21.919 8.675 11.745 86 H GLU 12 H GLU 12 -22.922 4.745 12.424 87 HA GLU 12 HA GLU 12 -22.129 2.045 12.956 88 HB2 GLU 12 HB2 GLU 12 -24.837 3.226 12.329 89 HB3 GLU 12 HB3 GLU 12 -24.554 1.583 12.896 90 HG2 GLU 12 HG2 GLU 12 -23.652 2.426 14.974 91 HG3 GLU 12 HG3 GLU 12 -23.833 4.084 14.403 92 H GLU 13 H GLU 13 -22.859 3.883 10.127 93 HA GLU 13 HA GLU 13 -23.564 1.677 8.453 94 HB2 GLU 13 HB2 GLU 13 -24.066 4.190 8.080 95 HB3 GLU 13 HB3 GLU 13 -22.429 4.274 7.441 96 HG2 GLU 13 HG2 GLU 13 -24.115 3.983 5.685 97 HG3 GLU 13 HG3 GLU 13 -22.966 2.642 5.742 98 H GLU 14 H GLU 14 -20.622 3.303 9.377 99 HA GLU 14 HA GLU 14 -18.887 2.047 7.516 100 HB2 GLU 14 HB2 GLU 14 -18.286 3.088 10.298 101 HB3 GLU 14 HB3 GLU 14 -17.097 2.725 9.052 102 HG2 GLU 14 HG2 GLU 14 -17.942 4.486 7.656 103 HG3 GLU 14 HG3 GLU 14 -19.260 4.798 8.784 104 H ALA 15 H ALA 15 -20.055 1.221 10.745 105 HA ALA 15 HA ALA 15 -18.572 -1.193 11.005 106 HB1 ALA 15 HB1 ALA 15 -20.129 -1.728 12.820 107 HB2 ALA 15 HB2 ALA 15 -21.161 -0.382 12.331 108 HB3 ALA 15 HB3 ALA 15 -19.536 -0.072 12.944 109 H HIS 16 H HIS 16 -21.662 -0.381 9.609 110 HA HIS 16 HA HIS 16 -22.452 -3.046 9.003 111 HB2 HIS 16 HB2 HIS 16 -24.096 -1.221 9.252 112 HB3 HIS 16 HB3 HIS 16 -23.418 -0.424 7.837 113 HD1 HIS 16 HD1 HIS 16 -25.290 -0.583 6.217 114 HD2 HIS 16 HD2 HIS 16 -24.452 -4.229 8.004 115 HE1 HIS 16 HE1 HIS 16 -26.716 -2.288 5.013 116 HE2 HIS 16 HE2 HIS 16 -26.371 -4.422 6.292 117 H LEU 17 H LEU 17 -20.333 -0.760 7.622 118 HA LEU 17 HA LEU 17 -20.425 -1.721 4.935 119 HB2 LEU 17 HB2 LEU 17 -19.652 0.571 5.764 120 HB3 LEU 17 HB3 LEU 17 -18.170 -0.212 6.260 121 HG LEU 17 HG LEU 17 -18.330 1.046 3.964 122 HD11 LEU 17 HD11 LEU 17 -16.354 -0.126 4.774 123 HD12 LEU 17 HD12 LEU 17 -16.608 -0.405 3.050 124 HD13 LEU 17 HD13 LEU 17 -17.032 -1.658 4.219 125 HD21 LEU 17 HD21 LEU 17 -18.900 -0.405 2.114 126 HD22 LEU 17 HD22 LEU 17 -20.288 -0.211 3.183 127 HD23 LEU 17 HD23 LEU 17 -19.337 -1.695 3.230 128 H ARG 18 H ARG 18 -18.180 -2.118 7.671 129 HA ARG 18 HA ARG 18 -16.694 -4.213 6.457 130 HB2 ARG 18 HB2 ARG 18 -15.745 -4.587 8.654 131 HB3 ARG 18 HB3 ARG 18 -15.873 -2.852 8.398 132 HG2 ARG 18 HG2 ARG 18 -17.869 -2.767 9.756 133 HG3 ARG 18 HG3 ARG 18 -17.827 -4.515 9.962 134 HD2 ARG 18 HD2 ARG 18 -15.647 -4.283 11.107 135 HD3 ARG 18 HD3 ARG 18 -15.796 -2.529 10.970 136 HE ARG 18 HE ARG 18 -18.070 -3.752 12.208 137 HH11 ARG 18 HH11 ARG 18 -14.818 -2.618 12.829 138 HH12 ARG 18 HH12 ARG 18 -15.134 -2.238 14.492 139 HH21 ARG 18 HH21 ARG 18 -18.486 -3.283 14.389 140 HH22 ARG 18 HH22 ARG 18 -17.229 -2.623 15.385 141 H GLU 19 H GLU 19 -19.655 -3.954 8.225 142 HA GLU 19 HA GLU 19 -20.033 -6.488 9.210 143 HB2 GLU 19 HB2 GLU 19 -21.505 -4.571 9.662 144 HB3 GLU 19 HB3 GLU 19 -22.139 -4.687 8.026 145 HG2 GLU 19 HG2 GLU 19 -23.702 -5.670 9.526 146 HG3 GLU 19 HG3 GLU 19 -22.967 -6.949 8.563 147 H LEU 20 H LEU 20 -20.877 -5.206 6.033 148 HA LEU 20 HA LEU 20 -21.910 -7.691 5.056 149 HB2 LEU 20 HB2 LEU 20 -22.015 -4.999 4.309 150 HB3 LEU 20 HB3 LEU 20 -21.145 -5.788 3.009 151 HG LEU 20 HG LEU 20 -23.801 -6.815 3.991 152 HD11 LEU 20 HD11 LEU 20 -24.849 -5.576 2.180 153 HD12 LEU 20 HD12 LEU 20 -23.300 -4.846 1.764 154 HD13 LEU 20 HD13 LEU 20 -24.062 -4.475 3.309 155 HD21 LEU 20 HD21 LEU 20 -22.397 -8.321 2.643 156 HD22 LEU 20 HD22 LEU 20 -22.348 -7.107 1.365 157 HD23 LEU 20 HD23 LEU 20 -23.881 -7.860 1.807 158 H TYR 21 H TYR 21 -18.826 -6.073 5.053 159 HA TYR 21 HA TYR 21 -17.625 -7.574 2.954 160 HB2 TYR 21 HB2 TYR 21 -16.624 -5.472 3.559 161 HB3 TYR 21 HB3 TYR 21 -16.452 -5.975 5.236 162 HD1 TYR 21 HD1 TYR 21 -14.472 -6.967 5.969 163 HD2 TYR 21 HD2 TYR 21 -15.258 -6.776 1.791 164 HE1 TYR 21 HE1 TYR 21 -12.199 -7.785 5.507 165 HE2 TYR 21 HE2 TYR 21 -12.990 -7.590 1.319 166 HH TYR 21 HH TYR 21 -10.800 -7.674 2.413 167 H LEU 22 H LEU 22 -17.482 -7.758 6.481 168 HA LEU 22 HA LEU 22 -15.784 -9.977 6.655 169 HB2 LEU 22 HB2 LEU 22 -17.936 -9.201 8.621 170 HB3 LEU 22 HB3 LEU 22 -16.489 -10.124 8.954 171 HG LEU 22 HG LEU 22 -16.543 -7.220 8.143 172 HD11 LEU 22 HD11 LEU 22 -16.027 -8.479 10.827 173 HD12 LEU 22 HD12 LEU 22 -17.449 -7.541 10.367 174 HD13 LEU 22 HD13 LEU 22 -15.867 -6.767 10.437 175 HD21 LEU 22 HD21 LEU 22 -14.511 -8.394 7.425 176 HD22 LEU 22 HD22 LEU 22 -14.237 -8.913 9.087 177 HD23 LEU 22 HD23 LEU 22 -14.189 -7.197 8.677 178 H ALA 23 H ALA 23 -19.216 -9.723 6.164 179 HA ALA 23 HA ALA 23 -19.793 -12.458 6.790 180 HB1 ALA 23 HB1 ALA 23 -21.488 -10.424 5.346 181 HB2 ALA 23 HB2 ALA 23 -21.448 -10.673 7.092 182 HB3 ALA 23 HB3 ALA 23 -22.041 -11.952 6.032 183 H ASN 24 H ASN 24 -18.745 -10.780 3.918 184 HA ASN 24 HA ASN 24 -19.309 -13.214 2.351 185 HB2 ASN 24 HB2 ASN 24 -19.381 -10.342 1.418 186 HB3 ASN 24 HB3 ASN 24 -19.522 -11.741 0.359 187 HD21 ASN 24 HD21 ASN 24 -21.052 -9.859 2.840 188 HD22 ASN 24 HD22 ASN 24 -22.647 -10.502 2.626 189 H LYS 25 H LYS 25 -16.843 -12.058 3.834 190 HA LYS 25 HA LYS 25 -14.970 -11.725 1.644 191 HB2 LYS 25 HB2 LYS 25 -13.296 -11.343 3.337 192 HB3 LYS 25 HB3 LYS 25 -14.739 -10.422 3.744 193 HG2 LYS 25 HG2 LYS 25 -15.364 -12.098 5.394 194 HG3 LYS 25 HG3 LYS 25 -13.946 -13.060 4.966 195 HD2 LYS 25 HD2 LYS 25 -12.504 -11.180 5.650 196 HD3 LYS 25 HD3 LYS 25 -13.939 -10.280 6.143 197 HE2 LYS 25 HE2 LYS 25 -12.912 -11.318 8.072 198 HE3 LYS 25 HE3 LYS 25 -14.477 -12.060 7.751 199 HZ1 LYS 25 HZ1 LYS 25 -12.763 -13.696 8.280 200 HZ2 LYS 25 HZ2 LYS 25 -11.856 -13.197 6.948 201 HZ3 LYS 25 HZ3 LYS 25 -13.370 -13.930 6.715 202 H ASP 26 H ASP 26 -16.324 -14.304 3.288 203 HA ASP 26 HA ASP 26 -13.925 -15.974 3.046 204 HB2 ASP 26 HB2 ASP 26 -16.295 -16.036 4.831 205 HB3 ASP 26 HB3 ASP 26 -15.616 -17.589 4.360 206 H VAL 27 H VAL 27 -16.609 -15.253 1.279 207 HA VAL 27 HA VAL 27 -16.948 -17.946 0.242 208 HB VAL 27 HB VAL 27 -19.006 -16.754 0.413 209 HG11 VAL 27 HG11 VAL 27 -19.427 -14.654 -0.743 210 HG12 VAL 27 HG12 VAL 27 -17.724 -14.592 -1.199 211 HG13 VAL 27 HG13 VAL 27 -18.184 -14.517 0.501 212 HG21 VAL 27 HG21 VAL 27 -18.110 -16.872 -2.457 213 HG22 VAL 27 HG22 VAL 27 -19.784 -16.726 -1.929 214 HG23 VAL 27 HG23 VAL 27 -18.856 -18.173 -1.531 215 H GLU 28 H GLU 28 -15.474 -18.666 -1.088 216 HA GLU 28 HA GLU 28 -13.922 -16.815 -2.694 217 HB2 GLU 28 HB2 GLU 28 -13.672 -19.797 -2.302 218 HB3 GLU 28 HB3 GLU 28 -12.542 -18.794 -3.202 219 HG2 GLU 28 HG2 GLU 28 -12.017 -17.547 -1.181 220 HG3 GLU 28 HG3 GLU 28 -13.171 -18.523 -0.272 221 H GLY 29 H GLY 29 -13.666 -17.015 -4.935 222 HA2 GLY 29 HA2 GLY 29 -14.359 -17.543 -7.107 223 HA3 GLY 29 HA3 GLY 29 -15.591 -18.605 -6.432 224 H GLN 30 H GLN 30 -15.531 -15.693 -4.856 225 HA GLN 30 HA GLN 30 -17.731 -14.607 -6.478 226 HB2 GLN 30 HB2 GLN 30 -18.808 -15.453 -4.598 227 HB3 GLN 30 HB3 GLN 30 -17.454 -15.114 -3.541 228 HG2 GLN 30 HG2 GLN 30 -18.902 -12.795 -4.678 229 HG3 GLN 30 HG3 GLN 30 -19.725 -13.754 -3.451 230 HE21 GLN 30 HE21 GLN 30 -19.667 -12.162 -1.918 231 HE22 GLN 30 HE22 GLN 30 -18.215 -11.655 -1.131 232 H ASP 31 H ASP 31 -17.986 -12.277 -6.357 233 HA ASP 31 HA ASP 31 -15.486 -10.846 -5.870 234 HB2 ASP 31 HB2 ASP 31 -16.911 -10.484 -7.948 235 HB3 ASP 31 HB3 ASP 31 -18.092 -9.727 -6.883 236 H VAL 32 H VAL 32 -15.159 -9.995 -3.886 237 HA VAL 32 HA VAL 32 -17.234 -10.071 -1.942 238 HB VAL 32 HB VAL 32 -14.779 -10.454 -1.481 239 HG11 VAL 32 HG11 VAL 32 -13.807 -8.584 -2.634 240 HG12 VAL 32 HG12 VAL 32 -13.440 -8.444 -0.914 241 HG13 VAL 32 HG13 VAL 32 -14.707 -7.443 -1.631 242 HG21 VAL 32 HG21 VAL 32 -16.360 -10.252 0.324 243 HG22 VAL 32 HG22 VAL 32 -16.286 -8.491 0.239 244 HG23 VAL 32 HG23 VAL 32 -14.871 -9.409 0.757 245 H VAL 33 H VAL 33 -15.828 -7.524 -3.917 246 HA VAL 33 HA VAL 33 -16.947 -5.422 -2.320 247 HB VAL 33 HB VAL 33 -15.891 -3.909 -3.701 248 HG11 VAL 33 HG11 VAL 33 -13.685 -4.825 -4.263 249 HG12 VAL 33 HG12 VAL 33 -14.331 -6.451 -4.042 250 HG13 VAL 33 HG13 VAL 33 -14.256 -5.341 -2.675 251 HG21 VAL 33 HG21 VAL 33 -15.230 -4.289 -6.032 252 HG22 VAL 33 HG22 VAL 33 -16.969 -4.459 -5.805 253 HG23 VAL 33 HG23 VAL 33 -15.959 -5.894 -5.969 254 H GLU 34 H GLU 34 -17.742 -7.115 -5.290 255 HA GLU 34 HA GLU 34 -19.978 -5.596 -6.060 256 HB2 GLU 34 HB2 GLU 34 -18.774 -7.405 -7.374 257 HB3 GLU 34 HB3 GLU 34 -19.650 -8.576 -6.404 258 HG2 GLU 34 HG2 GLU 34 -20.764 -8.321 -8.492 259 HG3 GLU 34 HG3 GLU 34 -21.768 -7.610 -7.230 260 H ALA 35 H ALA 35 -19.495 -8.003 -3.603 261 HA ALA 35 HA ALA 35 -22.236 -8.589 -3.095 262 HB1 ALA 35 HB1 ALA 35 -20.429 -10.068 -2.349 263 HB2 ALA 35 HB2 ALA 35 -21.431 -9.549 -0.995 264 HB3 ALA 35 HB3 ALA 35 -19.852 -8.811 -1.253 265 H ILE 36 H ILE 36 -19.870 -6.447 -1.547 266 HA ILE 36 HA ILE 36 -21.705 -5.354 0.313 267 HB ILE 36 HB ILE 36 -19.191 -4.032 -0.697 268 HG12 ILE 36 HG12 ILE 36 -19.394 -5.917 1.652 269 HG13 ILE 36 HG13 ILE 36 -18.946 -6.476 0.044 270 HG21 ILE 36 HG21 ILE 36 -20.633 -3.895 1.948 271 HG22 ILE 36 HG22 ILE 36 -20.678 -2.663 0.689 272 HG23 ILE 36 HG23 ILE 36 -19.164 -3.019 1.521 273 HD11 ILE 36 HD11 ILE 36 -16.997 -6.099 1.420 274 HD12 ILE 36 HD12 ILE 36 -17.480 -4.424 1.674 275 HD13 ILE 36 HD13 ILE 36 -17.028 -4.978 0.062 276 H LEU 37 H LEU 37 -20.289 -4.048 -2.670 277 HA LEU 37 HA LEU 37 -21.440 -1.582 -2.858 278 HB2 LEU 37 HB2 LEU 37 -20.904 -3.640 -4.985 279 HB3 LEU 37 HB3 LEU 37 -21.497 -2.042 -5.385 280 HG LEU 37 HG LEU 37 -18.927 -2.413 -3.828 281 HD11 LEU 37 HD11 LEU 37 -17.734 -2.312 -5.934 282 HD12 LEU 37 HD12 LEU 37 -19.251 -2.266 -6.830 283 HD13 LEU 37 HD13 LEU 37 -18.802 -3.715 -5.930 284 HD21 LEU 37 HD21 LEU 37 -20.178 -0.187 -4.037 285 HD22 LEU 37 HD22 LEU 37 -19.749 -0.242 -5.746 286 HD23 LEU 37 HD23 LEU 37 -18.483 -0.206 -4.518 287 H ALA 38 H ALA 38 -22.985 -4.647 -3.625 288 HA ALA 38 HA ALA 38 -25.222 -3.310 -4.885 289 HB1 ALA 38 HB1 ALA 38 -24.660 -6.228 -4.501 290 HB2 ALA 38 HB2 ALA 38 -24.186 -5.263 -5.898 291 HB3 ALA 38 HB3 ALA 38 -25.895 -5.531 -5.549 292 H HIS 39 H HIS 39 -24.594 -4.829 -1.778 293 HA HIS 39 HA HIS 39 -27.395 -5.537 -1.493 294 HB2 HIS 39 HB2 HIS 39 -24.969 -6.138 0.152 295 HB3 HIS 39 HB3 HIS 39 -26.581 -6.359 0.822 296 HD1 HIS 39 HD1 HIS 39 -28.109 -8.175 -0.344 297 HD2 HIS 39 HD2 HIS 39 -24.149 -8.120 -1.609 298 HE1 HIS 39 HE1 HIS 39 -27.746 -10.363 -1.526 299 HE2 HIS 39 HE2 HIS 39 -25.302 -10.379 -2.121 300 H LEU 40 H LEU 40 -25.255 -3.023 -0.322 301 HA LEU 40 HA LEU 40 -27.518 -2.155 1.332 302 HB2 LEU 40 HB2 LEU 40 -26.222 -1.597 3.117 303 HB3 LEU 40 HB3 LEU 40 -25.374 -2.990 2.518 304 HG LEU 40 HG LEU 40 -24.522 -0.144 2.024 305 HD11 LEU 40 HD11 LEU 40 -24.410 -0.685 4.391 306 HD12 LEU 40 HD12 LEU 40 -22.792 -0.584 3.696 307 HD13 LEU 40 HD13 LEU 40 -23.516 -2.160 4.023 308 HD21 LEU 40 HD21 LEU 40 -22.382 -1.119 1.422 309 HD22 LEU 40 HD22 LEU 40 -23.673 -1.673 0.341 310 HD23 LEU 40 HD23 LEU 40 -23.062 -2.740 1.609 311 H ASN 41 H ASN 41 -28.494 -0.741 0.079 312 HA ASN 41 HA ASN 41 -26.990 1.265 -1.410 313 HB2 ASN 41 HB2 ASN 41 -29.948 0.624 -1.296 314 HB3 ASN 41 HB3 ASN 41 -29.247 1.879 -2.311 315 HD21 ASN 41 HD21 ASN 41 -29.688 -1.520 -1.858 316 HD22 ASN 41 HD22 ASN 41 -29.055 -2.015 -3.387 317 H THR 42 H THR 42 -26.731 1.532 1.291 318 HA THR 42 HA THR 42 -28.654 3.350 2.403 319 HB THR 42 HB THR 42 -27.728 1.815 3.921 320 HG1 THR 42 HG1 THR 42 -26.613 3.212 5.426 321 HG21 THR 42 HG21 THR 42 -25.022 2.671 2.881 322 HG22 THR 42 HG22 THR 42 -25.776 1.078 2.757 323 HG23 THR 42 HG23 THR 42 -25.247 1.679 4.326 324 H VAL 43 H VAL 43 -25.553 3.630 0.842 325 HA VAL 43 HA VAL 43 -25.734 6.531 0.980 326 HB VAL 43 HB VAL 43 -24.227 6.524 2.685 327 HG11 VAL 43 HG11 VAL 43 -24.200 4.258 3.231 328 HG12 VAL 43 HG12 VAL 43 -22.508 4.698 3.008 329 HG13 VAL 43 HG13 VAL 43 -23.363 3.816 1.740 330 HG21 VAL 43 HG21 VAL 43 -22.597 6.212 0.225 331 HG22 VAL 43 HG22 VAL 43 -21.792 6.230 1.790 332 HG23 VAL 43 HG23 VAL 43 -22.775 7.603 1.297 333 HA PRO 44 HA PRO 44 -25.007 6.064 -3.300 334 HB2 PRO 44 HB2 PRO 44 -23.775 8.362 -4.019 335 HB3 PRO 44 HB3 PRO 44 -25.471 8.309 -3.520 336 HG2 PRO 44 HG2 PRO 44 -23.047 9.025 -1.898 337 HG3 PRO 44 HG3 PRO 44 -24.595 9.882 -2.017 338 HD2 PRO 44 HD2 PRO 44 -24.052 8.259 0.043 339 HD3 PRO 44 HD3 PRO 44 -25.682 8.362 -0.642 340 H ARG 45 H ARG 45 -23.586 4.465 -3.850 341 HA ARG 45 HA ARG 45 -20.762 4.918 -3.197 342 HB2 ARG 45 HB2 ARG 45 -21.862 2.274 -4.051 343 HB3 ARG 45 HB3 ARG 45 -20.419 2.627 -3.112 344 HG2 ARG 45 HG2 ARG 45 -23.232 2.987 -2.146 345 HG3 ARG 45 HG3 ARG 45 -22.212 1.591 -1.808 346 HD2 ARG 45 HD2 ARG 45 -20.626 3.712 -1.071 347 HD3 ARG 45 HD3 ARG 45 -22.238 4.241 -0.604 348 HE ARG 45 HE ARG 45 -20.676 2.415 0.768 349 HH11 ARG 45 HH11 ARG 45 -23.958 2.655 -0.427 350 HH12 ARG 45 HH12 ARG 45 -24.598 1.578 0.777 351 HH21 ARG 45 HH21 ARG 45 -21.548 1.132 2.430 352 HH22 ARG 45 HH22 ARG 45 -23.243 0.788 2.445 353 H THR 46 H THR 46 -19.363 5.277 -4.748 354 HA THR 46 HA THR 46 -19.683 4.058 -7.360 355 HB THR 46 HB THR 46 -17.302 4.885 -7.644 356 HG1 THR 46 HG1 THR 46 -17.432 6.618 -5.542 357 HG21 THR 46 HG21 THR 46 -19.369 6.917 -6.796 358 HG22 THR 46 HG22 THR 46 -19.189 6.230 -8.412 359 HG23 THR 46 HG23 THR 46 -17.928 7.271 -7.750 360 H ARG 47 H ARG 47 -17.728 2.534 -7.973 361 HA ARG 47 HA ARG 47 -17.619 0.357 -6.209 362 HB2 ARG 47 HB2 ARG 47 -16.199 1.161 -8.675 363 HB3 ARG 47 HB3 ARG 47 -15.332 0.028 -7.649 364 HG2 ARG 47 HG2 ARG 47 -16.674 -1.052 -9.420 365 HG3 ARG 47 HG3 ARG 47 -17.106 -1.568 -7.794 366 HD2 ARG 47 HD2 ARG 47 -19.088 -1.208 -9.179 367 HD3 ARG 47 HD3 ARG 47 -19.039 -0.092 -7.818 368 HE ARG 47 HE ARG 47 -17.863 1.215 -9.972 369 HH11 ARG 47 HH11 ARG 47 -20.991 -0.183 -9.221 370 HH12 ARG 47 HH12 ARG 47 -21.878 0.983 -10.149 371 HH21 ARG 47 HH21 ARG 47 -19.036 2.755 -11.193 372 HH22 ARG 47 HH22 ARG 47 -20.772 2.657 -11.255 373 H LYS 48 H LYS 48 -15.478 3.061 -6.709 374 HA LYS 48 HA LYS 48 -13.376 2.409 -5.010 375 HB2 LYS 48 HB2 LYS 48 -13.134 4.166 -6.564 376 HB3 LYS 48 HB3 LYS 48 -14.556 5.002 -5.962 377 HG2 LYS 48 HG2 LYS 48 -13.190 5.204 -3.765 378 HG3 LYS 48 HG3 LYS 48 -11.809 4.867 -4.810 379 HD2 LYS 48 HD2 LYS 48 -12.043 7.240 -4.673 380 HD3 LYS 48 HD3 LYS 48 -12.568 6.743 -6.282 381 HE2 LYS 48 HE2 LYS 48 -14.932 6.748 -5.398 382 HE3 LYS 48 HE3 LYS 48 -14.300 7.488 -3.930 383 HZ1 LYS 48 HZ1 LYS 48 -13.474 9.332 -5.276 384 HZ2 LYS 48 HZ2 LYS 48 -15.147 9.161 -5.438 385 HZ3 LYS 48 HZ3 LYS 48 -14.118 8.624 -6.668 386 H GLN 49 H GLN 49 -16.535 3.772 -4.279 387 HA GLN 49 HA GLN 49 -16.052 5.030 -1.861 388 HB2 GLN 49 HB2 GLN 49 -18.397 4.023 -3.247 389 HB3 GLN 49 HB3 GLN 49 -18.559 3.877 -1.505 390 HG2 GLN 49 HG2 GLN 49 -17.501 6.462 -2.304 391 HG3 GLN 49 HG3 GLN 49 -19.082 6.128 -3.008 392 HE21 GLN 49 HE21 GLN 49 -20.884 6.083 -1.708 393 HE22 GLN 49 HE22 GLN 49 -20.852 6.527 -0.035 394 H ILE 50 H ILE 50 -17.299 1.674 -2.167 395 HA ILE 50 HA ILE 50 -16.997 1.175 0.603 396 HB ILE 50 HB ILE 50 -17.420 -0.664 -1.733 397 HG12 ILE 50 HG12 ILE 50 -19.414 -1.117 0.048 398 HG13 ILE 50 HG13 ILE 50 -19.044 0.567 0.399 399 HG21 ILE 50 HG21 ILE 50 -15.990 -1.887 -0.202 400 HG22 ILE 50 HG22 ILE 50 -17.628 -2.540 -0.171 401 HG23 ILE 50 HG23 ILE 50 -17.067 -1.499 1.140 402 HD11 ILE 50 HD11 ILE 50 -20.807 0.422 -1.209 403 HD12 ILE 50 HD12 ILE 50 -19.811 -0.584 -2.257 404 HD13 ILE 50 HD13 ILE 50 -19.368 1.100 -1.970 405 H ILE 51 H ILE 51 -14.973 0.391 -2.197 406 HA ILE 51 HA ILE 51 -13.078 -1.221 -1.007 407 HB ILE 51 HB ILE 51 -12.620 0.885 -3.120 408 HG12 ILE 51 HG12 ILE 51 -13.118 -2.082 -3.407 409 HG13 ILE 51 HG13 ILE 51 -14.341 -0.844 -3.646 410 HG21 ILE 51 HG21 ILE 51 -10.903 -1.386 -2.155 411 HG22 ILE 51 HG22 ILE 51 -10.490 0.327 -2.268 412 HG23 ILE 51 HG23 ILE 51 -10.689 -0.636 -3.733 413 HD11 ILE 51 HD11 ILE 51 -13.409 -1.667 -5.751 414 HD12 ILE 51 HD12 ILE 51 -11.811 -1.114 -5.249 415 HD13 ILE 51 HD13 ILE 51 -13.102 0.055 -5.518 416 H HIS 52 H HIS 52 -13.105 2.303 -1.223 417 HA HIS 52 HA HIS 52 -10.595 2.723 -0.060 418 HB2 HIS 52 HB2 HIS 52 -12.936 4.374 -0.735 419 HB3 HIS 52 HB3 HIS 52 -11.889 5.022 0.526 420 HD1 HIS 52 HD1 HIS 52 -10.674 6.812 -0.682 421 HD2 HIS 52 HD2 HIS 52 -10.656 3.218 -2.796 422 HE1 HIS 52 HE1 HIS 52 -9.064 7.147 -2.563 423 HE2 HIS 52 HE2 HIS 52 -8.919 4.915 -3.711 424 H HIS 53 H HIS 53 -13.837 2.807 1.441 425 HA HIS 53 HA HIS 53 -12.814 3.635 3.955 426 HB2 HIS 53 HB2 HIS 53 -15.449 2.274 3.387 427 HB3 HIS 53 HB3 HIS 53 -15.032 3.151 4.856 428 HD1 HIS 53 HD1 HIS 53 -13.966 5.755 3.908 429 HD2 HIS 53 HD2 HIS 53 -17.112 3.828 2.003 430 HE1 HIS 53 HE1 HIS 53 -15.111 7.528 2.548 431 HE2 HIS 53 HE2 HIS 53 -16.862 6.289 1.229 432 H LEU 54 H LEU 54 -12.986 0.572 2.450 433 HA LEU 54 HA LEU 54 -12.949 -0.989 4.864 434 HB2 LEU 54 HB2 LEU 54 -12.502 -1.626 1.962 435 HB3 LEU 54 HB3 LEU 54 -12.166 -2.814 3.205 436 HG LEU 54 HG LEU 54 -14.865 -1.530 2.766 437 HD11 LEU 54 HD11 LEU 54 -13.837 -4.238 1.925 438 HD12 LEU 54 HD12 LEU 54 -14.236 -2.894 0.854 439 HD13 LEU 54 HD13 LEU 54 -15.505 -3.681 1.789 440 HD21 LEU 54 HD21 LEU 54 -14.444 -2.347 5.062 441 HD22 LEU 54 HD22 LEU 54 -14.080 -3.942 4.403 442 HD23 LEU 54 HD23 LEU 54 -15.697 -3.265 4.232 443 H VAL 55 H VAL 55 -10.551 -0.142 2.374 444 HA VAL 55 HA VAL 55 -8.378 -1.333 3.773 445 HB VAL 55 HB VAL 55 -6.924 -0.255 2.163 446 HG11 VAL 55 HG11 VAL 55 -9.480 -1.203 0.877 447 HG12 VAL 55 HG12 VAL 55 -8.149 -2.221 1.430 448 HG13 VAL 55 HG13 VAL 55 -7.905 -1.103 0.090 449 HG21 VAL 55 HG21 VAL 55 -7.772 1.314 0.489 450 HG22 VAL 55 HG22 VAL 55 -7.937 1.961 2.120 451 HG23 VAL 55 HG23 VAL 55 -9.347 1.313 1.283 452 H GLN 56 H GLN 56 -9.839 1.820 3.733 453 HA GLN 56 HA GLN 56 -7.828 3.126 5.269 454 HB2 GLN 56 HB2 GLN 56 -10.672 3.780 4.547 455 HB3 GLN 56 HB3 GLN 56 -9.735 4.819 5.599 456 HG2 GLN 56 HG2 GLN 56 -8.050 5.033 3.774 457 HG3 GLN 56 HG3 GLN 56 -9.134 4.112 2.731 458 HE21 GLN 56 HE21 GLN 56 -9.477 5.726 1.285 459 HE22 GLN 56 HE22 GLN 56 -10.353 7.172 1.660 460 H MET 57 H MET 57 -10.376 0.983 6.014 461 HA MET 57 HA MET 57 -10.681 1.866 8.754 462 HB2 MET 57 HB2 MET 57 -12.404 0.664 7.085 463 HB3 MET 57 HB3 MET 57 -11.750 -0.761 7.875 464 HG2 MET 57 HG2 MET 57 -12.419 0.098 10.041 465 HG3 MET 57 HG3 MET 57 -13.005 1.580 9.291 466 HE1 MET 57 HE1 MET 57 -14.373 0.268 6.576 467 HE2 MET 57 HE2 MET 57 -15.011 1.619 7.514 468 HE3 MET 57 HE3 MET 57 -16.038 0.233 7.155 469 H GLY 58 H GLY 58 -8.437 0.116 7.090 470 HA2 GLY 58 HA2 GLY 58 -6.522 -0.883 7.918 471 HA3 GLY 58 HA3 GLY 58 -7.201 -0.775 9.535 472 H LEU 59 H LEU 59 -9.482 -2.176 7.603 473 HA LEU 59 HA LEU 59 -8.795 -4.804 8.654 474 HB2 LEU 59 HB2 LEU 59 -11.112 -5.411 8.003 475 HB3 LEU 59 HB3 LEU 59 -11.014 -4.105 9.167 476 HG LEU 59 HG LEU 59 -11.223 -2.579 7.040 477 HD11 LEU 59 HD11 LEU 59 -12.618 -5.057 6.066 478 HD12 LEU 59 HD12 LEU 59 -11.041 -4.522 5.490 479 HD13 LEU 59 HD13 LEU 59 -12.460 -3.505 5.241 480 HD21 LEU 59 HD21 LEU 59 -13.646 -2.578 7.299 481 HD22 LEU 59 HD22 LEU 59 -12.835 -2.675 8.863 482 HD23 LEU 59 HD23 LEU 59 -13.560 -4.120 8.156 483 H ALA 60 H ALA 60 -8.703 -3.050 5.757 484 HA ALA 60 HA ALA 60 -8.123 -5.548 4.292 485 HB1 ALA 60 HB1 ALA 60 -8.823 -4.395 2.226 486 HB2 ALA 60 HB2 ALA 60 -9.313 -3.005 3.192 487 HB3 ALA 60 HB3 ALA 60 -10.134 -4.550 3.395 488 H ASP 61 H ASP 61 -6.541 -5.312 2.535 489 HA ASP 61 HA ASP 61 -4.203 -4.013 3.534 490 HB2 ASP 61 HB2 ASP 61 -4.827 -5.767 1.199 491 HB3 ASP 61 HB3 ASP 61 -3.333 -4.837 1.172 492 H SER 62 H SER 62 -5.685 -3.754 0.295 493 HA SER 62 HA SER 62 -5.252 -0.898 0.243 494 HB2 SER 62 HB2 SER 62 -3.709 -2.672 -1.645 495 HB3 SER 62 HB3 SER 62 -3.696 -0.914 -1.630 496 HG SER 62 HG SER 62 -3.063 -1.729 0.811 497 H VAL 63 H VAL 63 -5.965 0.073 -1.757 498 HA VAL 63 HA VAL 63 -8.327 -1.056 -2.834 499 HB VAL 63 HB VAL 63 -6.646 1.185 -3.973 500 HG11 VAL 63 HG11 VAL 63 -9.613 0.763 -4.220 501 HG12 VAL 63 HG12 VAL 63 -8.452 0.231 -5.434 502 HG13 VAL 63 HG13 VAL 63 -8.617 1.947 -5.059 503 HG21 VAL 63 HG21 VAL 63 -8.771 1.206 -1.839 504 HG22 VAL 63 HG22 VAL 63 -8.191 2.654 -2.663 505 HG23 VAL 63 HG23 VAL 63 -7.083 1.692 -1.685 506 H LYS 64 H LYS 64 -5.011 -1.251 -3.614 507 HA LYS 64 HA LYS 64 -4.705 -2.056 -6.164 508 HB2 LYS 64 HB2 LYS 64 -3.430 -2.474 -3.663 509 HB3 LYS 64 HB3 LYS 64 -3.480 -4.017 -4.500 510 HG2 LYS 64 HG2 LYS 64 -2.394 -2.995 -6.428 511 HG3 LYS 64 HG3 LYS 64 -2.333 -1.461 -5.555 512 HD2 LYS 64 HD2 LYS 64 -0.195 -2.575 -5.382 513 HD3 LYS 64 HD3 LYS 64 -0.977 -2.532 -3.804 514 HE2 LYS 64 HE2 LYS 64 -1.374 -4.924 -5.533 515 HE3 LYS 64 HE3 LYS 64 0.173 -4.728 -4.718 516 HZ1 LYS 64 HZ1 LYS 64 -1.101 -4.523 -2.605 517 HZ2 LYS 64 HZ2 LYS 64 -1.231 -6.035 -3.341 518 HZ3 LYS 64 HZ3 LYS 64 -2.510 -4.939 -3.444 519 H ASP 65 H ASP 65 -5.902 -4.059 -3.516 520 HA ASP 65 HA ASP 65 -6.022 -6.367 -5.241 521 HB2 ASP 65 HB2 ASP 65 -6.509 -6.042 -2.281 522 HB3 ASP 65 HB3 ASP 65 -6.538 -7.584 -3.138 523 H PHE 66 H PHE 66 -8.113 -3.903 -4.438 524 HA PHE 66 HA PHE 66 -10.493 -5.575 -4.704 525 HB2 PHE 66 HB2 PHE 66 -10.138 -2.620 -4.245 526 HB3 PHE 66 HB3 PHE 66 -11.703 -3.370 -4.513 527 HD1 PHE 66 HD1 PHE 66 -8.713 -3.859 -2.340 528 HD2 PHE 66 HD2 PHE 66 -12.960 -3.806 -2.655 529 HE1 PHE 66 HE1 PHE 66 -8.891 -4.256 0.074 530 HE2 PHE 66 HE2 PHE 66 -13.137 -4.215 -0.238 531 HZ PHE 66 HZ PHE 66 -11.102 -4.428 1.129 532 H GLN 67 H GLN 67 -8.953 -2.787 -6.359 533 HA GLN 67 HA GLN 67 -9.826 -3.843 -8.897 534 HB2 GLN 67 HB2 GLN 67 -10.992 -1.314 -7.749 535 HB3 GLN 67 HB3 GLN 67 -10.901 -1.582 -9.492 536 HG2 GLN 67 HG2 GLN 67 -12.184 -3.736 -9.072 537 HG3 GLN 67 HG3 GLN 67 -12.483 -3.111 -7.449 538 HE21 GLN 67 HE21 GLN 67 -14.347 -3.700 -9.611 539 HE22 GLN 67 HE22 GLN 67 -15.192 -2.227 -9.943 540 H ARG 68 H ARG 68 -9.474 -0.439 -8.686 541 HA ARG 68 HA ARG 68 -6.608 -0.458 -9.069 542 HB2 ARG 68 HB2 ARG 68 -7.594 -1.042 -11.305 543 HB3 ARG 68 HB3 ARG 68 -8.382 0.527 -11.304 544 HG2 ARG 68 HG2 ARG 68 -6.510 0.897 -12.590 545 HG3 ARG 68 HG3 ARG 68 -6.009 1.473 -11.000 546 HD2 ARG 68 HD2 ARG 68 -4.770 -0.531 -10.588 547 HD3 ARG 68 HD3 ARG 68 -5.419 -1.294 -12.039 548 HE ARG 68 HE ARG 68 -4.075 1.098 -12.717 549 HH11 ARG 68 HH11 ARG 68 -3.392 -2.188 -11.686 550 HH12 ARG 68 HH12 ARG 68 -1.856 -2.243 -12.491 551 HH21 ARG 68 HH21 ARG 68 -2.053 1.012 -13.746 552 HH22 ARG 68 HH22 ARG 68 -1.074 -0.430 -13.625 553 H LYS 69 H LYS 69 -6.988 0.907 -7.075 554 HA LYS 69 HA LYS 69 -6.704 3.628 -7.954 555 HB2 LYS 69 HB2 LYS 69 -9.233 2.819 -6.866 556 HB3 LYS 69 HB3 LYS 69 -8.456 3.945 -5.758 557 HG2 LYS 69 HG2 LYS 69 -9.020 4.416 -8.679 558 HG3 LYS 69 HG3 LYS 69 -9.867 5.142 -7.310 559 HD2 LYS 69 HD2 LYS 69 -7.835 6.278 -6.623 560 HD3 LYS 69 HD3 LYS 69 -6.931 5.503 -7.920 561 HE2 LYS 69 HE2 LYS 69 -8.374 6.633 -9.562 562 HE3 LYS 69 HE3 LYS 69 -9.206 7.449 -8.239 563 HZ1 LYS 69 HZ1 LYS 69 -7.096 8.472 -7.611 564 HZ2 LYS 69 HZ2 LYS 69 -7.519 8.868 -9.200 565 HZ3 LYS 69 HZ3 LYS 69 -6.326 7.708 -8.909 566 H GLY 70 H GLY 70 -5.073 1.646 -6.748 567 HA2 GLY 70 HA2 GLY 70 -3.842 3.203 -4.715 568 HA3 GLY 70 HA3 GLY 70 -4.682 1.822 -4.013 569 H THR 71 H THR 71 -2.755 2.401 -6.916 570 HA THR 71 HA THR 71 -1.853 -0.283 -7.002 571 HB THR 71 HB THR 71 -0.240 0.805 -8.770 572 HG1 THR 71 HG1 THR 71 -2.107 2.709 -9.266 573 HG21 THR 71 HG21 THR 71 -2.039 0.654 -10.427 574 HG22 THR 71 HG22 THR 71 -3.231 0.647 -9.125 575 HG23 THR 71 HG23 THR 71 -2.086 -0.686 -9.281 576 H HIS 72 H HIS 72 0.366 -0.915 -7.159 577 HA HIS 72 HA HIS 72 2.039 0.206 -5.075 578 HB2 HIS 72 HB2 HIS 72 3.280 -1.759 -5.253 579 HB3 HIS 72 HB3 HIS 72 1.687 -2.316 -5.726 580 HD1 HIS 72 HD1 HIS 72 1.342 -2.627 -8.398 581 HD2 HIS 72 HD2 HIS 72 5.239 -2.080 -7.096 582 HE1 HIS 72 HE1 HIS 72 2.807 -3.269 -10.337 583 HE2 HIS 72 HE2 HIS 72 5.127 -3.287 -9.369 584 H ILE 73 H ILE 73 1.322 1.205 -7.984 585 HA ILE 73 HA ILE 73 3.722 1.176 -9.442 586 HB ILE 73 HB ILE 73 1.037 2.222 -9.819 587 HG12 ILE 73 HG12 ILE 73 2.002 0.272 -10.982 588 HG13 ILE 73 HG13 ILE 73 1.420 1.499 -12.103 589 HG21 ILE 73 HG21 ILE 73 3.283 3.775 -11.055 590 HG22 ILE 73 HG22 ILE 73 2.115 4.383 -9.885 591 HG23 ILE 73 HG23 ILE 73 1.584 3.906 -11.498 592 HD11 ILE 73 HD11 ILE 73 4.282 0.979 -11.332 593 HD12 ILE 73 HD12 ILE 73 3.744 2.302 -12.368 594 HD13 ILE 73 HD13 ILE 73 3.517 0.627 -12.880 595 H VAL 74 H VAL 74 5.400 2.334 -9.330 596 HA VAL 74 HA VAL 74 6.010 4.440 -7.643 597 HB VAL 74 HB VAL 74 7.903 3.530 -8.619 598 HG11 VAL 74 HG11 VAL 74 8.109 3.050 -11.065 599 HG12 VAL 74 HG12 VAL 74 6.425 3.533 -11.249 600 HG13 VAL 74 HG13 VAL 74 6.837 2.131 -10.264 601 HG21 VAL 74 HG21 VAL 74 8.088 5.943 -8.874 602 HG22 VAL 74 HG22 VAL 74 7.311 5.843 -10.455 603 HG23 VAL 74 HG23 VAL 74 8.899 5.115 -10.204 604 H LEU 75 H LEU 75 5.780 6.688 -7.823 605 HA LEU 75 HA LEU 75 3.668 7.705 -9.305 606 HB2 LEU 75 HB2 LEU 75 4.316 9.891 -8.628 607 HB3 LEU 75 HB3 LEU 75 4.669 8.802 -7.306 608 HG LEU 75 HG LEU 75 6.802 9.723 -9.226 609 HD11 LEU 75 HD11 LEU 75 7.397 11.430 -7.597 610 HD12 LEU 75 HD12 LEU 75 6.000 10.991 -6.613 611 HD13 LEU 75 HD13 LEU 75 5.765 11.688 -8.216 612 HD21 LEU 75 HD21 LEU 75 8.267 9.212 -7.282 613 HD22 LEU 75 HD22 LEU 75 7.447 7.806 -7.950 614 HD23 LEU 75 HD23 LEU 75 6.860 8.539 -6.457 615 H TRP 76 H TRP 76 3.679 7.237 -11.438 616 HA TRP 76 HA TRP 76 5.973 7.779 -13.088 617 HB2 TRP 76 HB2 TRP 76 3.271 6.587 -13.513 618 HB3 TRP 76 HB3 TRP 76 4.130 7.226 -14.917 619 HD1 TRP 76 HD1 TRP 76 4.734 4.691 -12.057 620 HE1 TRP 76 HE1 TRP 76 6.144 2.755 -12.979 621 HE3 TRP 76 HE3 TRP 76 5.585 6.464 -16.779 622 HZ2 TRP 76 HZ2 TRP 76 7.436 2.057 -15.366 623 HZ3 TRP 76 HZ3 TRP 76 6.907 5.063 -18.325 624 HH2 TRP 76 HH2 TRP 76 7.812 2.924 -17.632 625 H THR 77 H THR 77 6.450 9.780 -13.525 626 HA THR 77 HA THR 77 4.330 11.721 -14.059 627 HB THR 77 HB THR 77 6.248 13.370 -13.921 628 HG1 THR 77 HG1 THR 77 8.203 12.572 -13.795 629 HG21 THR 77 HG21 THR 77 4.767 12.954 -12.001 630 HG22 THR 77 HG22 THR 77 6.423 13.251 -11.472 631 HG23 THR 77 HG23 THR 77 5.791 11.605 -11.505 632 H GLY 78 H GLY 78 5.178 13.425 -15.789 633 HA2 GLY 78 HA2 GLY 78 5.028 12.161 -18.274 634 HA3 GLY 78 HA3 GLY 78 5.507 13.832 -18.018 635 H ASP 79 H ASP 79 7.859 13.417 -16.556 636 HA ASP 79 HA ASP 79 9.703 12.918 -18.648 637 HB2 ASP 79 HB2 ASP 79 11.450 13.186 -16.923 638 HB3 ASP 79 HB3 ASP 79 10.251 14.470 -16.847 639 H GLN 80 H GLN 80 8.799 10.994 -15.778 640 HA GLN 80 HA GLN 80 10.604 8.890 -16.257 641 HB2 GLN 80 HB2 GLN 80 7.919 8.789 -14.879 642 HB3 GLN 80 HB3 GLN 80 9.131 7.517 -14.825 643 HG2 GLN 80 HG2 GLN 80 10.661 9.413 -13.902 644 HG3 GLN 80 HG3 GLN 80 9.122 10.186 -13.523 645 HE21 GLN 80 HE21 GLN 80 7.827 7.555 -13.120 646 HE22 GLN 80 HE22 GLN 80 8.345 7.052 -11.557 647 H GLU 81 H GLU 81 7.320 9.464 -17.358 648 HA GLU 81 HA GLU 81 6.954 6.934 -18.537 649 HB2 GLU 81 HB2 GLU 81 5.158 8.611 -17.929 650 HB3 GLU 81 HB3 GLU 81 5.610 9.489 -19.383 651 HG2 GLU 81 HG2 GLU 81 4.856 7.792 -20.788 652 HG3 GLU 81 HG3 GLU 81 4.841 6.598 -19.490 653 H LEU 82 H LEU 82 8.152 10.006 -19.716 654 HA LEU 82 HA LEU 82 8.550 9.216 -22.399 655 HB2 LEU 82 HB2 LEU 82 8.442 11.544 -21.680 656 HB3 LEU 82 HB3 LEU 82 9.890 11.344 -20.720 657 HG LEU 82 HG LEU 82 10.053 12.586 -22.961 658 HD11 LEU 82 HD11 LEU 82 11.980 11.930 -21.636 659 HD12 LEU 82 HD12 LEU 82 12.297 11.744 -23.364 660 HD13 LEU 82 HD13 LEU 82 11.951 10.328 -22.373 661 HD21 LEU 82 HD21 LEU 82 10.064 9.754 -23.990 662 HD22 LEU 82 HD22 LEU 82 10.437 11.205 -24.921 663 HD23 LEU 82 HD23 LEU 82 8.807 10.953 -24.294 664 H GLU 83 H GLU 83 10.653 9.170 -19.533 665 HA GLU 83 HA GLU 83 13.044 8.366 -20.706 666 HB2 GLU 83 HB2 GLU 83 11.931 7.548 -18.018 667 HB3 GLU 83 HB3 GLU 83 13.600 7.339 -18.520 668 HG2 GLU 83 HG2 GLU 83 13.896 9.731 -18.633 669 HG3 GLU 83 HG3 GLU 83 12.196 9.981 -18.226 670 H LEU 84 H LEU 84 10.575 6.281 -19.211 671 HA LEU 84 HA LEU 84 12.134 3.965 -19.864 672 HB2 LEU 84 HB2 LEU 84 10.910 4.203 -17.728 673 HB3 LEU 84 HB3 LEU 84 9.398 4.127 -18.604 674 HG LEU 84 HG LEU 84 9.567 1.844 -18.978 675 HD11 LEU 84 HD11 LEU 84 11.730 1.854 -20.074 676 HD12 LEU 84 HD12 LEU 84 11.667 0.575 -18.859 677 HD13 LEU 84 HD13 LEU 84 12.538 2.071 -18.521 678 HD21 LEU 84 HD21 LEU 84 9.377 2.298 -16.567 679 HD22 LEU 84 HD22 LEU 84 11.134 2.244 -16.428 680 HD23 LEU 84 HD23 LEU 84 10.241 0.796 -16.884 681 H GLN 85 H GLN 85 9.396 5.590 -21.288 682 HA GLN 85 HA GLN 85 8.393 3.456 -22.811 683 HB2 GLN 85 HB2 GLN 85 7.272 5.641 -22.530 684 HB3 GLN 85 HB3 GLN 85 8.510 6.387 -23.528 685 HG2 GLN 85 HG2 GLN 85 7.817 5.012 -25.413 686 HG3 GLN 85 HG3 GLN 85 6.570 4.280 -24.416 687 HE21 GLN 85 HE21 GLN 85 7.606 7.083 -26.073 688 HE22 GLN 85 HE22 GLN 85 6.134 7.967 -25.936 689 H ARG 86 H ARG 86 10.948 5.817 -23.446 690 HA ARG 86 HA ARG 86 11.516 4.768 -26.065 691 HB2 ARG 86 HB2 ARG 86 12.997 6.725 -24.306 692 HB3 ARG 86 HB3 ARG 86 13.538 6.262 -25.912 693 HG2 ARG 86 HG2 ARG 86 11.351 7.112 -26.791 694 HG3 ARG 86 HG3 ARG 86 11.041 7.757 -25.175 695 HD2 ARG 86 HD2 ARG 86 13.001 9.133 -25.275 696 HD3 ARG 86 HD3 ARG 86 13.500 8.393 -26.794 697 HE ARG 86 HE ARG 86 10.956 9.541 -27.118 698 HH11 ARG 86 HH11 ARG 86 14.308 10.457 -26.698 699 HH12 ARG 86 HH12 ARG 86 14.133 11.970 -27.521 700 HH21 ARG 86 HH21 ARG 86 10.723 11.535 -28.208 701 HH22 ARG 86 HH22 ARG 86 12.092 12.590 -28.370 702 H LEU 87 H LEU 87 12.974 4.615 -22.866 703 HA LEU 87 HA LEU 87 15.338 3.289 -23.548 704 HB2 LEU 87 HB2 LEU 87 14.443 4.357 -21.301 705 HB3 LEU 87 HB3 LEU 87 13.969 2.705 -20.963 706 HG LEU 87 HG LEU 87 16.396 2.072 -21.445 707 HD11 LEU 87 HD11 LEU 87 18.029 3.879 -21.105 708 HD12 LEU 87 HD12 LEU 87 16.715 5.054 -21.111 709 HD13 LEU 87 HD13 LEU 87 17.068 4.119 -22.563 710 HD21 LEU 87 HD21 LEU 87 15.797 3.822 -19.069 711 HD22 LEU 87 HD22 LEU 87 17.083 2.624 -19.187 712 HD23 LEU 87 HD23 LEU 87 15.397 2.113 -19.217 713 H PHE 88 H PHE 88 12.159 2.058 -22.617 714 HA PHE 88 HA PHE 88 12.701 -0.669 -22.636 715 HB2 PHE 88 HB2 PHE 88 10.601 -0.256 -21.827 716 HB3 PHE 88 HB3 PHE 88 10.281 1.023 -22.990 717 HD1 PHE 88 HD1 PHE 88 8.822 0.638 -24.702 718 HD2 PHE 88 HD2 PHE 88 10.681 -2.682 -22.793 719 HE1 PHE 88 HE1 PHE 88 7.432 -0.892 -26.022 720 HE2 PHE 88 HE2 PHE 88 9.291 -4.221 -24.116 721 HZ PHE 88 HZ PHE 88 7.670 -3.317 -25.740 722 H GLU 89 H GLU 89 11.634 1.423 -25.311 723 HA GLU 89 HA GLU 89 11.431 -0.543 -27.281 724 HB2 GLU 89 HB2 GLU 89 12.265 2.342 -27.606 725 HB3 GLU 89 HB3 GLU 89 11.675 1.295 -28.887 726 HG2 GLU 89 HG2 GLU 89 9.523 1.116 -27.705 727 HG3 GLU 89 HG3 GLU 89 10.148 2.205 -26.468 728 H GLU 90 H GLU 90 14.188 1.247 -26.086 729 HA GLU 90 HA GLU 90 15.862 0.607 -28.315 730 HB2 GLU 90 HB2 GLU 90 16.246 1.972 -25.683 731 HB3 GLU 90 HB3 GLU 90 17.627 1.586 -26.702 732 HG2 GLU 90 HG2 GLU 90 16.653 2.896 -28.514 733 HG3 GLU 90 HG3 GLU 90 15.268 3.268 -27.493 734 H PHE 91 H PHE 91 15.468 -0.674 -25.039 735 HA PHE 91 HA PHE 91 17.804 -2.370 -25.426 736 HB2 PHE 91 HB2 PHE 91 16.104 -1.783 -23.013 737 HB3 PHE 91 HB3 PHE 91 17.343 -3.034 -23.016 738 HD1 PHE 91 HD1 PHE 91 16.698 0.553 -23.011 739 HD2 PHE 91 HD2 PHE 91 19.700 -2.456 -23.186 740 HE1 PHE 91 HE1 PHE 91 18.414 2.233 -22.485 741 HE2 PHE 91 HE2 PHE 91 21.421 -0.780 -22.656 742 HZ PHE 91 HZ PHE 91 20.777 1.572 -22.305 743 H ARG 92 H ARG 92 14.863 -2.756 -26.558 744 HA ARG 92 HA ARG 92 14.140 -5.367 -25.656 745 HB2 ARG 92 HB2 ARG 92 13.590 -4.216 -28.399 746 HB3 ARG 92 HB3 ARG 92 12.715 -5.509 -27.597 747 HG2 ARG 92 HG2 ARG 92 12.090 -3.802 -25.836 748 HG3 ARG 92 HG3 ARG 92 12.719 -2.588 -26.955 749 HD2 ARG 92 HD2 ARG 92 10.520 -4.560 -27.525 750 HD3 ARG 92 HD3 ARG 92 10.299 -2.848 -27.179 751 HE ARG 92 HE ARG 92 11.765 -3.814 -29.550 752 HH11 ARG 92 HH11 ARG 92 9.362 -1.727 -28.082 753 HH12 ARG 92 HH12 ARG 92 8.970 -0.923 -29.565 754 HH21 ARG 92 HH21 ARG 92 11.241 -2.748 -31.511 755 HH22 ARG 92 HH22 ARG 92 10.042 -1.493 -31.507 756 H ASP 93 H ASP 93 16.607 -4.148 -27.557 757 HA ASP 93 HA ASP 93 17.110 -6.327 -29.294 758 HB2 ASP 93 HB2 ASP 93 17.925 -4.048 -29.700 759 HB3 ASP 93 HB3 ASP 93 18.963 -4.161 -28.282 760 H SER 94 H SER 94 17.648 -5.877 -25.945 761 HA SER 94 HA SER 94 19.684 -7.990 -25.924 762 HB2 SER 94 HB2 SER 94 20.071 -7.296 -23.550 763 HB3 SER 94 HB3 SER 94 20.402 -6.027 -24.727 764 HG SER 94 HG SER 94 17.857 -5.801 -24.044 765 H ASP 95 H ASP 95 19.504 -9.654 -24.217 766 HA ASP 95 HA ASP 95 17.100 -11.026 -24.657 767 HB2 ASP 95 HB2 ASP 95 17.996 -12.807 -23.382 768 HB3 ASP 95 HB3 ASP 95 19.357 -12.055 -24.206 769 H ASP 96 H ASP 96 18.117 -9.037 -21.954 770 HA ASP 96 HA ASP 96 15.397 -9.325 -20.879 771 HB2 ASP 96 HB2 ASP 96 16.901 -10.560 -19.392 772 HB3 ASP 96 HB3 ASP 96 17.934 -9.144 -19.234 773 H VAL 97 H VAL 97 14.534 -7.481 -21.536 774 HA VAL 97 HA VAL 97 15.996 -5.104 -21.925 775 HB VAL 97 HB VAL 97 13.978 -5.570 -23.219 776 HG11 VAL 97 HG11 VAL 97 11.750 -5.300 -22.261 777 HG12 VAL 97 HG12 VAL 97 12.460 -5.121 -20.657 778 HG13 VAL 97 HG13 VAL 97 12.616 -6.649 -21.524 779 HG21 VAL 97 HG21 VAL 97 12.880 -3.348 -23.033 780 HG22 VAL 97 HG22 VAL 97 14.641 -3.273 -23.108 781 HG23 VAL 97 HG23 VAL 97 13.816 -3.054 -21.565 782 H LEU 98 H LEU 98 13.864 -6.154 -19.271 783 HA LEU 98 HA LEU 98 13.786 -3.584 -18.047 784 HB2 LEU 98 HB2 LEU 98 13.210 -6.255 -16.788 785 HB3 LEU 98 HB3 LEU 98 12.778 -4.695 -16.126 786 HG LEU 98 HG LEU 98 11.514 -4.538 -18.499 787 HD11 LEU 98 HD11 LEU 98 11.536 -7.452 -17.752 788 HD12 LEU 98 HD12 LEU 98 12.144 -6.734 -19.244 789 HD13 LEU 98 HD13 LEU 98 10.414 -6.714 -18.894 790 HD21 LEU 98 HD21 LEU 98 10.399 -5.917 -16.063 791 HD22 LEU 98 HD22 LEU 98 9.482 -5.074 -17.312 792 HD23 LEU 98 HD23 LEU 98 10.567 -4.173 -16.254 793 H GLY 99 H GLY 99 15.888 -6.365 -17.729 794 HA2 GLY 99 HA2 GLY 99 17.226 -5.609 -15.373 795 HA3 GLY 99 HA3 GLY 99 17.915 -6.580 -16.676 796 H HIS 100 H HIS 100 17.784 -4.780 -18.755 797 HA HIS 100 HA HIS 100 20.060 -3.144 -18.202 798 HB2 HIS 100 HB2 HIS 100 18.306 -3.423 -20.646 799 HB3 HIS 100 HB3 HIS 100 19.699 -2.352 -20.581 800 HD1 HIS 100 HD1 HIS 100 21.378 -3.477 -22.051 801 HD2 HIS 100 HD2 HIS 100 19.579 -6.132 -19.407 802 HE1 HIS 100 HE1 HIS 100 22.585 -5.656 -22.350 803 HE2 HIS 100 HE2 HIS 100 21.455 -7.260 -20.775 804 H ILE 101 H ILE 101 16.626 -2.692 -18.341 805 HA ILE 101 HA ILE 101 16.467 0.090 -18.488 806 HB ILE 101 HB ILE 101 14.704 -1.822 -16.947 807 HG12 ILE 101 HG12 ILE 101 14.674 -2.309 -19.310 808 HG13 ILE 101 HG13 ILE 101 13.161 -1.521 -18.879 809 HG21 ILE 101 HG21 ILE 101 14.231 1.067 -17.660 810 HG22 ILE 101 HG22 ILE 101 14.447 0.396 -16.043 811 HG23 ILE 101 HG23 ILE 101 13.019 -0.027 -16.991 812 HD11 ILE 101 HD11 ILE 101 13.984 -0.706 -20.991 813 HD12 ILE 101 HD12 ILE 101 15.514 -0.247 -20.248 814 HD13 ILE 101 HD13 ILE 101 14.026 0.579 -19.786 815 H MET 102 H MET 102 16.400 -1.934 -15.553 816 HA MET 102 HA MET 102 16.358 0.172 -13.731 817 HB2 MET 102 HB2 MET 102 17.548 -2.572 -13.312 818 HB3 MET 102 HB3 MET 102 17.068 -1.447 -12.048 819 HG2 MET 102 HG2 MET 102 14.746 -1.604 -12.807 820 HG3 MET 102 HG3 MET 102 15.238 -2.775 -14.035 821 HE1 MET 102 HE1 MET 102 13.347 -4.390 -13.041 822 HE2 MET 102 HE2 MET 102 12.971 -3.198 -11.794 823 HE3 MET 102 HE3 MET 102 13.277 -4.878 -11.345 824 H LYS 103 H LYS 103 19.078 -1.452 -15.248 825 HA LYS 103 HA LYS 103 21.058 -0.274 -13.566 826 HB2 LYS 103 HB2 LYS 103 21.366 -1.494 -16.313 827 HB3 LYS 103 HB3 LYS 103 22.666 -1.174 -15.173 828 HG2 LYS 103 HG2 LYS 103 20.403 -3.122 -14.779 829 HG3 LYS 103 HG3 LYS 103 22.065 -3.528 -15.199 830 HD2 LYS 103 HD2 LYS 103 22.816 -2.549 -13.064 831 HD3 LYS 103 HD3 LYS 103 21.133 -2.220 -12.645 832 HE2 LYS 103 HE2 LYS 103 20.635 -4.613 -12.765 833 HE3 LYS 103 HE3 LYS 103 22.315 -4.942 -13.183 834 HZ1 LYS 103 HZ1 LYS 103 22.958 -3.977 -11.033 835 HZ2 LYS 103 HZ2 LYS 103 21.971 -5.338 -10.860 836 HZ3 LYS 103 HZ3 LYS 103 21.326 -3.793 -10.632 837 H ASN 104 H ASN 104 19.590 0.595 -16.647 838 HA ASN 104 HA ASN 104 21.590 2.657 -17.111 839 HB2 ASN 104 HB2 ASN 104 20.630 1.174 -18.942 840 HB3 ASN 104 HB3 ASN 104 19.147 2.110 -18.792 841 HD21 ASN 104 HD21 ASN 104 19.130 4.264 -19.462 842 HD22 ASN 104 HD22 ASN 104 20.367 4.919 -20.470 843 H ILE 105 H ILE 105 18.317 2.417 -15.919 844 HA ILE 105 HA ILE 105 17.899 5.280 -16.295 845 HB ILE 105 HB ILE 105 16.064 3.650 -16.749 846 HG12 ILE 105 HG12 ILE 105 14.280 4.996 -15.646 847 HG13 ILE 105 HG13 ILE 105 15.527 5.791 -14.691 848 HG21 ILE 105 HG21 ILE 105 14.762 2.803 -14.842 849 HG22 ILE 105 HG22 ILE 105 16.016 3.394 -13.751 850 HG23 ILE 105 HG23 ILE 105 16.386 2.119 -14.913 851 HD11 ILE 105 HD11 ILE 105 16.514 6.709 -16.701 852 HD12 ILE 105 HD12 ILE 105 14.805 7.135 -16.600 853 HD13 ILE 105 HD13 ILE 105 15.331 5.856 -17.692 854 H THR 106 H THR 106 17.141 6.601 -14.554 855 HA THR 106 HA THR 106 19.005 6.492 -12.418 856 HB THR 106 HB THR 106 18.314 8.536 -13.633 857 HG1 THR 106 HG1 THR 106 19.188 9.272 -11.842 858 HG21 THR 106 HG21 THR 106 15.930 8.168 -13.815 859 HG22 THR 106 HG22 THR 106 16.233 9.680 -12.959 860 HG23 THR 106 HG23 THR 106 15.756 8.239 -12.060 861 H ALA 107 H ALA 107 15.570 5.805 -12.701 862 HA ALA 107 HA ALA 107 15.345 5.570 -9.789 863 HB1 ALA 107 HB1 ALA 107 13.189 5.499 -11.894 864 HB2 ALA 107 HB2 ALA 107 13.630 6.905 -10.925 865 HB3 ALA 107 HB3 ALA 107 12.936 5.478 -10.149 866 H LYS 108 H LYS 108 15.289 3.635 -8.818 867 HA LYS 108 HA LYS 108 15.371 1.230 -10.403 868 HB2 LYS 108 HB2 LYS 108 15.672 1.913 -7.528 869 HB3 LYS 108 HB3 LYS 108 15.119 0.290 -7.903 870 HG2 LYS 108 HG2 LYS 108 17.502 0.277 -7.610 871 HG3 LYS 108 HG3 LYS 108 17.120 -0.049 -9.296 872 HD2 LYS 108 HD2 LYS 108 17.726 2.750 -8.440 873 HD3 LYS 108 HD3 LYS 108 19.047 1.605 -8.658 874 HE2 LYS 108 HE2 LYS 108 18.121 1.142 -10.956 875 HE3 LYS 108 HE3 LYS 108 17.029 2.503 -10.705 876 HZ1 LYS 108 HZ1 LYS 108 19.996 2.608 -10.739 877 HZ2 LYS 108 HZ2 LYS 108 18.996 3.919 -10.365 878 HZ3 LYS 108 HZ3 LYS 108 18.947 3.234 -11.912 879 H ARG 109 H ARG 109 13.504 0.755 -11.376 880 HA ARG 109 HA ARG 109 11.038 0.831 -9.775 881 HB2 ARG 109 HB2 ARG 109 11.306 0.842 -12.792 882 HB3 ARG 109 HB3 ARG 109 9.823 1.055 -11.867 883 HG2 ARG 109 HG2 ARG 109 10.585 3.166 -11.020 884 HG3 ARG 109 HG3 ARG 109 12.176 2.931 -11.742 885 HD2 ARG 109 HD2 ARG 109 11.080 2.924 -13.983 886 HD3 ARG 109 HD3 ARG 109 9.560 3.332 -13.185 887 HE ARG 109 HE ARG 109 10.870 5.346 -12.310 888 HH11 ARG 109 HH11 ARG 109 11.417 3.913 -15.462 889 HH12 ARG 109 HH12 ARG 109 12.046 5.374 -16.151 890 HH21 ARG 109 HH21 ARG 109 11.710 7.261 -13.215 891 HH22 ARG 109 HH22 ARG 109 12.224 7.289 -14.882 892 H SER 110 H SER 110 10.236 -1.059 -9.209 893 HA SER 110 HA SER 110 11.504 -3.479 -9.749 894 HB2 SER 110 HB2 SER 110 8.636 -3.350 -8.886 895 HB3 SER 110 HB3 SER 110 9.913 -4.433 -8.336 896 HG SER 110 HG SER 110 10.821 -2.768 -7.177 897 H ARG 111 H ARG 111 10.633 -5.396 -10.765 898 HA ARG 111 HA ARG 111 10.076 -5.052 -13.460 899 HB2 ARG 111 HB2 ARG 111 9.569 -7.442 -11.681 900 HB3 ARG 111 HB3 ARG 111 9.454 -7.483 -13.437 901 HG2 ARG 111 HG2 ARG 111 11.949 -6.698 -11.945 902 HG3 ARG 111 HG3 ARG 111 11.602 -8.341 -12.485 903 HD2 ARG 111 HD2 ARG 111 11.570 -7.639 -14.781 904 HD3 ARG 111 HD3 ARG 111 11.708 -5.946 -14.309 905 HE ARG 111 HE ARG 111 13.947 -6.617 -13.376 906 HH11 ARG 111 HH11 ARG 111 12.506 -8.317 -16.084 907 HH12 ARG 111 HH12 ARG 111 14.035 -8.789 -16.766 908 HH21 ARG 111 HH21 ARG 111 15.951 -7.326 -14.226 909 HH22 ARG 111 HH22 ARG 111 15.978 -8.250 -15.707 910 H ALA 112 H ALA 112 7.835 -5.843 -10.828 911 HA ALA 112 HA ALA 112 5.555 -6.167 -12.443 912 HB1 ALA 112 HB1 ALA 112 4.277 -6.039 -10.391 913 HB2 ALA 112 HB2 ALA 112 5.661 -5.344 -9.545 914 HB3 ALA 112 HB3 ALA 112 5.733 -7.004 -10.137 915 H ARG 113 H ARG 113 7.158 -3.319 -11.287 916 HA ARG 113 HA ARG 113 4.890 -1.571 -11.619 917 HB2 ARG 113 HB2 ARG 113 7.814 -0.807 -11.585 918 HB3 ARG 113 HB3 ARG 113 6.442 0.250 -11.294 919 HG2 ARG 113 HG2 ARG 113 5.934 -1.052 -9.253 920 HG3 ARG 113 HG3 ARG 113 7.405 -1.987 -9.531 921 HD2 ARG 113 HD2 ARG 113 8.610 0.263 -9.585 922 HD3 ARG 113 HD3 ARG 113 7.135 0.929 -8.892 923 HE ARG 113 HE ARG 113 8.519 -1.289 -7.542 924 HH11 ARG 113 HH11 ARG 113 7.393 2.042 -7.529 925 HH12 ARG 113 HH12 ARG 113 7.662 2.255 -5.835 926 HH21 ARG 113 HH21 ARG 113 8.885 -0.979 -5.320 927 HH22 ARG 113 HH22 ARG 113 8.510 0.545 -4.583 928 H ILE 114 H ILE 114 7.872 -2.247 -13.392 929 HA ILE 114 HA ILE 114 7.446 -0.538 -15.537 930 HB ILE 114 HB ILE 114 8.952 -3.153 -15.523 931 HG12 ILE 114 HG12 ILE 114 9.869 -0.323 -14.998 932 HG13 ILE 114 HG13 ILE 114 9.683 -1.578 -13.784 933 HG21 ILE 114 HG21 ILE 114 9.074 -0.802 -17.411 934 HG22 ILE 114 HG22 ILE 114 8.548 -2.442 -17.789 935 HG23 ILE 114 HG23 ILE 114 10.237 -2.128 -17.387 936 HD11 ILE 114 HD11 ILE 114 11.612 -1.700 -16.087 937 HD12 ILE 114 HD12 ILE 114 11.463 -2.875 -14.778 938 HD13 ILE 114 HD13 ILE 114 12.024 -1.236 -14.437 939 H VAL 115 H VAL 115 6.780 -4.055 -15.328 940 HA VAL 115 HA VAL 115 5.836 -4.226 -17.983 941 HB VAL 115 HB VAL 115 5.053 -6.456 -17.474 942 HG11 VAL 115 HG11 VAL 115 7.647 -5.872 -16.055 943 HG12 VAL 115 HG12 VAL 115 7.448 -6.148 -17.785 944 HG13 VAL 115 HG13 VAL 115 7.122 -7.451 -16.642 945 HG21 VAL 115 HG21 VAL 115 5.625 -5.886 -14.570 946 HG22 VAL 115 HG22 VAL 115 5.047 -7.405 -15.259 947 HG23 VAL 115 HG23 VAL 115 4.015 -5.975 -15.286 948 H ASP 116 H ASP 116 4.167 -3.658 -14.923 949 HA ASP 116 HA ASP 116 1.552 -3.924 -15.971 950 HB2 ASP 116 HB2 ASP 116 1.958 -4.052 -13.583 951 HB3 ASP 116 HB3 ASP 116 2.544 -2.393 -13.560 952 H LYS 117 H LYS 117 3.861 -1.276 -15.869 953 HA LYS 117 HA LYS 117 1.885 0.684 -16.652 954 HB2 LYS 117 HB2 LYS 117 3.980 1.177 -15.297 955 HB3 LYS 117 HB3 LYS 117 4.882 0.988 -16.795 956 HG2 LYS 117 HG2 LYS 117 4.550 3.290 -16.587 957 HG3 LYS 117 HG3 LYS 117 3.337 2.772 -17.757 958 HD2 LYS 117 HD2 LYS 117 1.633 2.761 -16.004 959 HD3 LYS 117 HD3 LYS 117 2.850 3.234 -14.809 960 HE2 LYS 117 HE2 LYS 117 1.514 5.152 -15.538 961 HE3 LYS 117 HE3 LYS 117 3.210 5.335 -15.980 962 HZ1 LYS 117 HZ1 LYS 117 2.536 4.447 -18.219 963 HZ2 LYS 117 HZ2 LYS 117 1.988 6.003 -17.847 964 HZ3 LYS 117 HZ3 LYS 117 0.930 4.679 -17.746 965 H LEU 118 H LEU 118 4.323 -1.306 -18.208 966 HA LEU 118 HA LEU 118 4.279 -0.174 -20.768 967 HB2 LEU 118 HB2 LEU 118 5.150 -2.658 -19.568 968 HB3 LEU 118 HB3 LEU 118 4.454 -2.932 -21.155 969 HG LEU 118 HG LEU 118 6.032 -1.169 -22.031 970 HD11 LEU 118 HD11 LEU 118 8.019 -0.692 -20.695 971 HD12 LEU 118 HD12 LEU 118 7.305 -1.545 -19.325 972 HD13 LEU 118 HD13 LEU 118 6.557 -0.067 -19.933 973 HD21 LEU 118 HD21 LEU 118 7.176 -3.672 -20.810 974 HD22 LEU 118 HD22 LEU 118 7.926 -2.718 -22.090 975 HD23 LEU 118 HD23 LEU 118 6.387 -3.532 -22.383 976 H LEU 119 H LEU 119 2.317 -2.782 -19.402 977 HA LEU 119 HA LEU 119 0.690 -3.211 -21.658 978 HB2 LEU 119 HB2 LEU 119 0.435 -3.787 -18.734 979 HB3 LEU 119 HB3 LEU 119 -0.961 -4.007 -19.768 980 HG LEU 119 HG LEU 119 0.281 -6.110 -19.379 981 HD11 LEU 119 HD11 LEU 119 -1.067 -5.835 -21.383 982 HD12 LEU 119 HD12 LEU 119 0.354 -6.827 -21.705 983 HD13 LEU 119 HD13 LEU 119 0.317 -5.147 -22.231 984 HD21 LEU 119 HD21 LEU 119 2.497 -4.746 -20.916 985 HD22 LEU 119 HD22 LEU 119 2.440 -6.462 -20.514 986 HD23 LEU 119 HD23 LEU 119 2.552 -5.258 -19.228 987 H ALA 120 H ALA 120 0.567 -0.919 -19.060 988 HA ALA 120 HA ALA 120 -2.122 -0.062 -19.541 989 HB1 ALA 120 HB1 ALA 120 -0.954 0.050 -17.341 990 HB2 ALA 120 HB2 ALA 120 -1.726 1.561 -17.838 991 HB3 ALA 120 HB3 ALA 120 0.022 1.370 -17.990 992 H LEU 121 H LEU 121 1.068 0.948 -20.549 993 HA LEU 121 HA LEU 121 0.154 3.311 -21.914 994 HB2 LEU 121 HB2 LEU 121 2.725 1.743 -22.065 995 HB3 LEU 121 HB3 LEU 121 2.440 3.227 -22.950 996 HG LEU 121 HG LEU 121 2.415 3.002 -19.943 997 HD11 LEU 121 HD11 LEU 121 4.633 2.570 -20.852 998 HD12 LEU 121 HD12 LEU 121 4.575 4.140 -20.045 999 HD13 LEU 121 HD13 LEU 121 4.539 4.050 -21.807 1000 HD21 LEU 121 HD21 LEU 121 2.539 5.476 -20.076 1001 HD22 LEU 121 HD22 LEU 121 1.035 4.813 -20.710 1002 HD23 LEU 121 HD23 LEU 121 2.294 5.359 -21.819 1003 H GLY 122 H GLY 122 0.363 -0.042 -22.570 1004 HA2 GLY 122 HA2 GLY 122 -0.362 -1.245 -24.403 1005 HA3 GLY 122 HA3 GLY 122 -0.754 0.273 -25.207 1006 H LEU 123 H LEU 123 2.353 -0.524 -23.795 1007 HA LEU 123 HA LEU 123 3.685 0.003 -26.299 1008 HB2 LEU 123 HB2 LEU 123 4.651 -0.795 -23.552 1009 HB3 LEU 123 HB3 LEU 123 5.737 -0.606 -24.918 1010 HG LEU 123 HG LEU 123 4.007 1.572 -23.739 1011 HD11 LEU 123 HD11 LEU 123 6.985 1.123 -23.615 1012 HD12 LEU 123 HD12 LEU 123 5.850 0.958 -22.276 1013 HD13 LEU 123 HD13 LEU 123 6.129 2.538 -23.006 1014 HD21 LEU 123 HD21 LEU 123 4.337 1.851 -26.146 1015 HD22 LEU 123 HD22 LEU 123 6.080 1.691 -25.926 1016 HD23 LEU 123 HD23 LEU 123 5.226 3.066 -25.229 1017 H VAL 124 H VAL 124 2.650 -2.660 -24.423 1018 HA VAL 124 HA VAL 124 3.398 -4.500 -26.568 1019 HB VAL 124 HB VAL 124 4.010 -6.239 -24.936 1020 HG11 VAL 124 HG11 VAL 124 6.238 -5.386 -24.377 1021 HG12 VAL 124 HG12 VAL 124 5.705 -3.750 -24.767 1022 HG13 VAL 124 HG13 VAL 124 5.775 -4.980 -26.029 1023 HG21 VAL 124 HG21 VAL 124 2.796 -5.323 -23.019 1024 HG22 VAL 124 HG22 VAL 124 3.946 -3.990 -22.924 1025 HG23 VAL 124 HG23 VAL 124 4.482 -5.642 -22.620 1026 H ALA 125 H ALA 125 2.165 -6.499 -26.440 1027 HA ALA 125 HA ALA 125 -0.539 -5.966 -25.460 1028 HB1 ALA 125 HB1 ALA 125 -1.224 -7.807 -26.906 1029 HB2 ALA 125 HB2 ALA 125 0.462 -8.128 -27.309 1030 HB3 ALA 125 HB3 ALA 125 -0.292 -6.612 -27.806 1031 H GLU 126 H GLU 126 2.214 -7.447 -24.432 1032 HA GLU 126 HA GLU 126 1.054 -8.886 -22.304 1033 HB2 GLU 126 HB2 GLU 126 1.721 -11.167 -23.073 1034 HB3 GLU 126 HB3 GLU 126 0.368 -10.481 -23.960 1035 HG2 GLU 126 HG2 GLU 126 2.118 -9.693 -25.643 1036 HG3 GLU 126 HG3 GLU 126 3.200 -10.832 -24.851 1037 H ARG 127 H ARG 127 2.820 -10.472 -21.367 1038 HA ARG 127 HA ARG 127 5.106 -8.786 -21.016 1039 HB2 ARG 127 HB2 ARG 127 4.366 -11.428 -19.780 1040 HB3 ARG 127 HB3 ARG 127 5.810 -10.521 -19.356 1041 HG2 ARG 127 HG2 ARG 127 4.378 -8.621 -18.685 1042 HG3 ARG 127 HG3 ARG 127 2.958 -9.620 -19.009 1043 HD2 ARG 127 HD2 ARG 127 5.126 -10.146 -16.987 1044 HD3 ARG 127 HD3 ARG 127 3.472 -9.639 -16.650 1045 HE ARG 127 HE ARG 127 3.768 -12.147 -18.089 1046 HH11 ARG 127 HH11 ARG 127 3.286 -10.548 -15.003 1047 HH12 ARG 127 HH12 ARG 127 2.693 -11.974 -14.218 1048 HH21 ARG 127 HH21 ARG 127 2.983 -14.022 -17.047 1049 HH22 ARG 127 HH22 ARG 127 2.508 -13.943 -15.382 1050 H ARG 128 H ARG 128 4.470 -11.664 -22.885 1051 HA ARG 128 HA ARG 128 7.078 -12.723 -22.946 1052 HB2 ARG 128 HB2 ARG 128 6.288 -14.229 -24.461 1053 HB3 ARG 128 HB3 ARG 128 4.737 -13.599 -23.933 1054 HG2 ARG 128 HG2 ARG 128 4.555 -12.203 -25.853 1055 HG3 ARG 128 HG3 ARG 128 6.222 -12.533 -26.322 1056 HD2 ARG 128 HD2 ARG 128 4.877 -13.844 -27.742 1057 HD3 ARG 128 HD3 ARG 128 5.542 -14.954 -26.546 1058 HE ARG 128 HE ARG 128 2.911 -13.855 -25.972 1059 HH11 ARG 128 HH11 ARG 128 4.774 -16.545 -27.221 1060 HH12 ARG 128 HH12 ARG 128 3.455 -17.664 -27.126 1061 HH21 ARG 128 HH21 ARG 128 1.182 -15.306 -25.862 1062 HH22 ARG 128 HH22 ARG 128 1.398 -16.951 -26.369 1063 H GLU 129 H GLU 129 5.655 -10.037 -24.571 1064 HA GLU 129 HA GLU 129 7.377 -9.887 -26.808 1065 HB2 GLU 129 HB2 GLU 129 5.740 -7.737 -25.459 1066 HB3 GLU 129 HB3 GLU 129 6.463 -7.611 -27.053 1067 HG2 GLU 129 HG2 GLU 129 4.357 -9.598 -26.233 1068 HG3 GLU 129 HG3 GLU 129 4.076 -8.125 -27.159 1069 H LEU 130 H LEU 130 7.658 -8.845 -23.527 1070 HA LEU 130 HA LEU 130 9.944 -7.152 -24.194 1071 HB2 LEU 130 HB2 LEU 130 9.738 -6.640 -21.635 1072 HB3 LEU 130 HB3 LEU 130 8.683 -5.869 -22.800 1073 HG LEU 130 HG LEU 130 7.728 -8.389 -21.521 1074 HD11 LEU 130 HD11 LEU 130 6.832 -7.078 -19.634 1075 HD12 LEU 130 HD12 LEU 130 7.795 -5.699 -20.164 1076 HD13 LEU 130 HD13 LEU 130 8.592 -7.175 -19.624 1077 HD21 LEU 130 HD21 LEU 130 6.334 -7.383 -23.212 1078 HD22 LEU 130 HD22 LEU 130 6.451 -5.806 -22.422 1079 HD23 LEU 130 HD23 LEU 130 5.579 -7.120 -21.637 1080 H TYR 131 H TYR 131 9.721 -10.221 -23.902 1081 HA TYR 131 HA TYR 131 12.214 -10.412 -22.358 1082 HB2 TYR 131 HB2 TYR 131 9.975 -12.432 -22.526 1083 HB3 TYR 131 HB3 TYR 131 11.586 -12.832 -21.944 1084 HD1 TYR 131 HD1 TYR 131 8.383 -11.520 -21.074 1085 HD2 TYR 131 HD2 TYR 131 12.478 -11.526 -19.931 1086 HE1 TYR 131 HE1 TYR 131 7.749 -10.758 -18.828 1087 HE2 TYR 131 HE2 TYR 131 11.853 -10.767 -17.676 1088 HH TYR 131 HH TYR 131 9.985 -9.567 -16.597 1089 H LYS 132 H LYS 132 13.606 -10.234 -23.989 1090 HA LYS 132 HA LYS 132 13.225 -11.499 -26.534 1091 HB2 LYS 132 HB2 LYS 132 14.373 -9.327 -26.257 1092 HB3 LYS 132 HB3 LYS 132 15.655 -10.127 -25.372 1093 HG2 LYS 132 HG2 LYS 132 16.546 -9.861 -27.486 1094 HG3 LYS 132 HG3 LYS 132 15.964 -11.528 -27.510 1095 HD2 LYS 132 HD2 LYS 132 13.989 -10.871 -28.716 1096 HD3 LYS 132 HD3 LYS 132 14.409 -9.164 -28.556 1097 HE2 LYS 132 HE2 LYS 132 16.484 -9.624 -29.847 1098 HE3 LYS 132 HE3 LYS 132 15.901 -11.264 -30.115 1099 HZ1 LYS 132 HZ1 LYS 132 13.966 -10.345 -31.239 1100 HZ2 LYS 132 HZ2 LYS 132 15.392 -9.844 -31.988 1101 HZ3 LYS 132 HZ3 LYS 132 14.542 -8.777 -30.993 1102 H LYS 133 H LYS 133 12.939 -13.609 -25.381 1103 HA LYS 133 HA LYS 133 15.504 -14.959 -24.857 1104 HB2 LYS 133 HB2 LYS 133 12.734 -15.917 -24.124 1105 HB3 LYS 133 HB3 LYS 133 14.263 -16.613 -23.611 1106 HG2 LYS 133 HG2 LYS 133 13.218 -13.894 -22.833 1107 HG3 LYS 133 HG3 LYS 133 13.217 -15.334 -21.817 1108 HD2 LYS 133 HD2 LYS 133 15.670 -15.381 -21.894 1109 HD3 LYS 133 HD3 LYS 133 15.664 -13.937 -22.910 1110 HE2 LYS 133 HE2 LYS 133 14.630 -12.653 -21.133 1111 HE3 LYS 133 HE3 LYS 133 14.520 -14.091 -20.122 1112 HZ1 LYS 133 HZ1 LYS 133 16.400 -12.714 -19.499 1113 HZ2 LYS 133 HZ2 LYS 133 17.047 -12.834 -21.055 1114 HZ3 LYS 133 HZ3 LYS 133 16.929 -14.209 -20.078 1115 H ARG 134 H ARG 134 15.401 -17.350 -25.465 1116 HA ARG 134 HA ARG 134 14.831 -17.654 -28.209 1117 HB2 ARG 134 HB2 ARG 134 16.570 -18.950 -27.063 1118 HB3 ARG 134 HB3 ARG 134 15.351 -19.745 -26.079 1119 HG2 ARG 134 HG2 ARG 134 15.043 -19.989 -29.005 1120 HG3 ARG 134 HG3 ARG 134 16.411 -20.832 -28.277 1121 HD2 ARG 134 HD2 ARG 134 14.964 -22.036 -26.799 1122 HD3 ARG 134 HD3 ARG 134 13.575 -21.076 -27.304 1123 HE ARG 134 HE ARG 134 14.564 -22.271 -29.593 1124 HH11 ARG 134 HH11 ARG 134 13.279 -23.352 -26.527 1125 HH12 ARG 134 HH12 ARG 134 12.558 -24.783 -27.189 1126 HH21 ARG 134 HH21 ARG 134 13.632 -24.158 -30.469 1127 HH22 ARG 134 HH22 ARG 134 12.769 -25.250 -29.435 1128 H GLN 135 H GLN 135 12.680 -16.969 -28.375 1129 HA GLN 135 HA GLN 135 10.769 -19.149 -27.910 1130 HB2 GLN 135 HB2 GLN 135 9.000 -17.556 -27.442 1131 HB3 GLN 135 HB3 GLN 135 10.327 -17.278 -26.325 1132 HG2 GLN 135 HG2 GLN 135 11.074 -15.392 -27.724 1133 HG3 GLN 135 HG3 GLN 135 9.685 -15.650 -28.776 1134 HE21 GLN 135 HE21 GLN 135 10.376 -13.299 -27.251 1135 HE22 GLN 135 HE22 GLN 135 9.047 -12.989 -26.188 1136 H LYS 136 H LYS 136 8.835 -18.885 -29.463 1137 HA LYS 136 HA LYS 136 9.647 -18.595 -32.135 1138 HB2 LYS 136 HB2 LYS 136 7.261 -18.641 -32.687 1139 HB3 LYS 136 HB3 LYS 136 7.644 -19.859 -31.481 1140 HG2 LYS 136 HG2 LYS 136 6.648 -18.590 -29.749 1141 HG3 LYS 136 HG3 LYS 136 6.515 -17.163 -30.780 1142 HD2 LYS 136 HD2 LYS 136 4.946 -18.399 -32.230 1143 HD3 LYS 136 HD3 LYS 136 5.046 -19.774 -31.126 1144 HE2 LYS 136 HE2 LYS 136 4.025 -18.551 -29.372 1145 HE3 LYS 136 HE3 LYS 136 4.190 -17.029 -30.246 1146 HZ1 LYS 136 HZ1 LYS 136 2.491 -19.305 -31.109 1147 HZ2 LYS 136 HZ2 LYS 136 2.603 -17.795 -31.861 1148 HZ3 LYS 136 HZ3 LYS 136 1.927 -17.921 -30.319 1149 H LYS 137 H LYS 137 8.127 -16.907 -33.564 1150 HA LYS 137 HA LYS 137 9.411 -14.441 -33.069 1151 HB2 LYS 137 HB2 LYS 137 8.638 -15.193 -35.337 1152 HB3 LYS 137 HB3 LYS 137 6.990 -14.829 -34.836 1153 HG2 LYS 137 HG2 LYS 137 7.851 -12.483 -34.309 1154 HG3 LYS 137 HG3 LYS 137 9.281 -12.932 -35.233 1155 HD2 LYS 137 HD2 LYS 137 7.918 -13.344 -37.198 1156 HD3 LYS 137 HD3 LYS 137 6.451 -12.993 -36.278 1157 HE2 LYS 137 HE2 LYS 137 7.326 -10.710 -35.848 1158 HE3 LYS 137 HE3 LYS 137 8.701 -11.077 -36.887 1159 HZ1 LYS 137 HZ1 LYS 137 7.060 -9.871 -38.123 1160 HZ2 LYS 137 HZ2 LYS 137 5.850 -10.976 -37.708 1161 HZ3 LYS 137 HZ3 LYS 137 7.120 -11.456 -38.716 1162 H LEU 138 H LEU 138 8.657 -12.497 -32.377 1163 HA LEU 138 HA LEU 138 7.018 -12.354 -30.172 1164 HB2 LEU 138 HB2 LEU 138 7.634 -10.187 -32.178 1165 HB3 LEU 138 HB3 LEU 138 7.038 -9.924 -30.548 1166 HG LEU 138 HG LEU 138 9.669 -11.267 -31.144 1167 HD11 LEU 138 HD11 LEU 138 9.719 -9.012 -32.026 1168 HD12 LEU 138 HD12 LEU 138 10.706 -9.123 -30.567 1169 HD13 LEU 138 HD13 LEU 138 9.107 -8.381 -30.495 1170 HD21 LEU 138 HD21 LEU 138 10.140 -10.695 -28.794 1171 HD22 LEU 138 HD22 LEU 138 8.767 -11.790 -28.959 1172 HD23 LEU 138 HD23 LEU 138 8.496 -10.079 -28.635 1173 H ALA 139 H ALA 139 4.975 -11.419 -29.827 1174 HA ALA 139 HA ALA 139 3.023 -12.258 -31.791 1175 HB1 ALA 139 HB1 ALA 139 1.407 -11.852 -30.068 1176 HB2 ALA 139 HB2 ALA 139 2.573 -10.931 -29.123 1177 HB3 ALA 139 HB3 ALA 139 2.790 -12.667 -29.341 1178 H SER 140 H SER 140 0.993 -10.304 -31.253 1179 HA SER 140 HA SER 140 2.074 -8.113 -32.840 1180 HB2 SER 140 HB2 SER 140 -0.072 -9.251 -33.499 1181 HB3 SER 140 HB3 SER 140 -0.804 -8.592 -32.037 1182 HG SER 140 HG SER 140 -1.127 -6.842 -33.128 1183 H SER 141 H SER 141 3.330 -7.274 -31.110 1184 HA SER 141 HA SER 141 2.058 -6.116 -28.822 1185 HB2 SER 141 HB2 SER 141 4.419 -6.939 -28.841 1186 HB3 SER 141 HB3 SER 141 4.827 -5.637 -29.957 1187 HG SER 141 HG SER 141 4.653 -4.201 -28.383 Start of MODEL 12 1 H1 ASP 1 HT1 ASP 1 -23.238 10.236 -11.008 2 H2 ASP 1 HT2 ASP 1 -24.190 9.660 -9.733 3 H3 ASP 1 HT3 ASP 1 -24.177 11.309 -10.098 4 HA ASP 1 HA ASP 1 -25.245 10.939 -12.183 5 HB2 ASP 1 HB2 ASP 1 -25.983 8.669 -12.826 6 HB3 ASP 1 HB3 ASP 1 -24.234 8.751 -12.685 7 HA PRO 2 HA PRO 2 -29.389 11.336 -10.528 8 HB2 PRO 2 HB2 PRO 2 -30.411 8.848 -11.601 9 HB3 PRO 2 HB3 PRO 2 -30.784 10.499 -12.086 10 HG2 PRO 2 HG2 PRO 2 -28.864 8.601 -13.249 11 HG3 PRO 2 HG3 PRO 2 -29.616 10.029 -13.980 12 HD2 PRO 2 HD2 PRO 2 -27.018 10.007 -13.335 13 HD3 PRO 2 HD3 PRO 2 -28.003 11.466 -13.122 14 H SER 3 H SER 3 -28.209 7.944 -10.372 15 HA SER 3 HA SER 3 -29.798 7.498 -7.981 16 HB2 SER 3 HB2 SER 3 -27.773 5.588 -9.146 17 HB3 SER 3 HB3 SER 3 -29.192 5.220 -8.171 18 HG SER 3 HG SER 3 -30.356 6.274 -10.048 19 H ARG 4 H ARG 4 -26.399 7.754 -8.902 20 HA ARG 4 HA ARG 4 -25.578 7.249 -6.169 21 HB2 ARG 4 HB2 ARG 4 -23.978 7.713 -8.677 22 HB3 ARG 4 HB3 ARG 4 -23.272 7.394 -7.097 23 HG2 ARG 4 HG2 ARG 4 -24.293 5.227 -7.012 24 HG3 ARG 4 HG3 ARG 4 -25.184 5.547 -8.500 25 HD2 ARG 4 HD2 ARG 4 -23.012 5.758 -9.685 26 HD3 ARG 4 HD3 ARG 4 -22.199 5.277 -8.195 27 HE ARG 4 HE ARG 4 -22.993 3.110 -8.466 28 HH11 ARG 4 HH11 ARG 4 -24.257 5.232 -10.960 29 HH12 ARG 4 HH12 ARG 4 -24.803 3.917 -11.960 30 HH21 ARG 4 HH21 ARG 4 -23.705 1.393 -9.787 31 HH22 ARG 4 HH22 ARG 4 -24.495 1.734 -11.293 32 H ARG 5 H ARG 5 -26.142 8.936 -4.977 33 HA ARG 5 HA ARG 5 -25.004 11.568 -5.476 34 HB2 ARG 5 HB2 ARG 5 -27.212 10.678 -4.076 35 HB3 ARG 5 HB3 ARG 5 -26.043 10.913 -2.789 36 HG2 ARG 5 HG2 ARG 5 -26.941 13.001 -4.764 37 HG3 ARG 5 HG3 ARG 5 -27.464 12.862 -3.088 38 HD2 ARG 5 HD2 ARG 5 -25.843 14.436 -2.842 39 HD3 ARG 5 HD3 ARG 5 -24.860 12.988 -2.644 40 HE ARG 5 HE ARG 5 -24.894 13.633 -5.359 41 HH11 ARG 5 HH11 ARG 5 -23.714 14.986 -2.353 42 HH12 ARG 5 HH12 ARG 5 -22.416 15.857 -3.104 43 HH21 ARG 5 HH21 ARG 5 -23.200 14.771 -6.356 44 HH22 ARG 5 HH22 ARG 5 -22.119 15.731 -5.395 45 H ALA 6 H ALA 6 -23.238 12.375 -4.169 46 HA ALA 6 HA ALA 6 -21.297 10.407 -3.610 47 HB1 ALA 6 HB1 ALA 6 -21.169 13.240 -2.613 48 HB2 ALA 6 HB2 ALA 6 -20.825 12.784 -4.282 49 HB3 ALA 6 HB3 ALA 6 -19.831 12.140 -2.971 50 HA PRO 7 HA PRO 7 -21.932 8.582 0.191 51 HB2 PRO 7 HB2 PRO 7 -19.491 9.314 1.443 52 HB3 PRO 7 HB3 PRO 7 -19.857 7.824 0.573 53 HG2 PRO 7 HG2 PRO 7 -18.499 10.289 -0.377 54 HG3 PRO 7 HG3 PRO 7 -18.249 8.603 -0.870 55 HD2 PRO 7 HD2 PRO 7 -19.521 10.304 -2.460 56 HD3 PRO 7 HD3 PRO 7 -20.087 8.628 -2.300 57 H THR 8 H THR 8 -23.224 9.176 1.751 58 HA THR 8 HA THR 8 -22.320 11.279 3.595 59 HB THR 8 HB THR 8 -24.735 11.645 4.180 60 HG1 THR 8 HG1 THR 8 -25.446 9.608 3.224 61 HG21 THR 8 HG21 THR 8 -23.604 13.207 2.682 62 HG22 THR 8 HG22 THR 8 -25.286 12.996 2.200 63 HG23 THR 8 HG23 THR 8 -24.002 12.189 1.298 64 H TRP 9 H TRP 9 -21.403 10.007 5.155 65 HA TRP 9 HA TRP 9 -22.629 7.408 5.679 66 HB2 TRP 9 HB2 TRP 9 -19.875 8.485 6.241 67 HB3 TRP 9 HB3 TRP 9 -20.444 6.940 6.866 68 HD1 TRP 9 HD1 TRP 9 -19.167 8.592 3.721 69 HE1 TRP 9 HE1 TRP 9 -18.901 6.813 1.881 70 HE3 TRP 9 HE3 TRP 9 -21.492 4.666 6.020 71 HZ2 TRP 9 HZ2 TRP 9 -19.593 4.132 1.457 72 HZ3 TRP 9 HZ3 TRP 9 -21.655 2.523 4.813 73 HH2 TRP 9 HH2 TRP 9 -20.722 2.272 2.580 74 H SER 10 H SER 10 -22.963 6.585 7.678 75 HA SER 10 HA SER 10 -22.922 8.440 9.958 76 HB2 SER 10 HB2 SER 10 -24.985 7.064 10.718 77 HB3 SER 10 HB3 SER 10 -25.220 8.265 9.449 78 HG SER 10 HG SER 10 -24.914 6.482 7.929 79 HA PRO 11 HA PRO 11 -20.565 5.661 12.389 80 HB2 PRO 11 HB2 PRO 11 -22.902 5.211 14.190 81 HB3 PRO 11 HB3 PRO 11 -21.239 5.656 14.594 82 HG2 PRO 11 HG2 PRO 11 -23.155 7.486 14.635 83 HG3 PRO 11 HG3 PRO 11 -21.551 7.878 13.991 84 HD2 PRO 11 HD2 PRO 11 -24.103 7.358 12.540 85 HD3 PRO 11 HD3 PRO 11 -22.785 8.480 12.144 86 H GLU 12 H GLU 12 -23.883 4.324 12.486 87 HA GLU 12 HA GLU 12 -23.110 1.621 12.654 88 HB2 GLU 12 HB2 GLU 12 -25.393 2.727 13.125 89 HB3 GLU 12 HB3 GLU 12 -25.672 2.604 11.398 90 HG2 GLU 12 HG2 GLU 12 -25.106 0.270 13.208 91 HG3 GLU 12 HG3 GLU 12 -26.712 0.805 12.737 92 H GLU 13 H GLU 13 -23.740 3.748 9.977 93 HA GLU 13 HA GLU 13 -24.125 1.894 7.942 94 HB2 GLU 13 HB2 GLU 13 -24.505 4.441 8.069 95 HB3 GLU 13 HB3 GLU 13 -22.838 4.567 7.539 96 HG2 GLU 13 HG2 GLU 13 -23.335 3.467 5.485 97 HG3 GLU 13 HG3 GLU 13 -24.962 3.066 6.039 98 H GLU 14 H GLU 14 -21.122 3.499 9.019 99 HA GLU 14 HA GLU 14 -19.526 2.155 7.059 100 HB2 GLU 14 HB2 GLU 14 -18.709 3.639 9.561 101 HB3 GLU 14 HB3 GLU 14 -17.590 3.040 8.342 102 HG2 GLU 14 HG2 GLU 14 -18.861 4.447 6.673 103 HG3 GLU 14 HG3 GLU 14 -19.663 5.190 8.056 104 H ALA 15 H ALA 15 -20.590 1.404 10.278 105 HA ALA 15 HA ALA 15 -18.755 -0.727 10.762 106 HB1 ALA 15 HB1 ALA 15 -21.518 -0.233 11.884 107 HB2 ALA 15 HB2 ALA 15 -19.991 0.300 12.589 108 HB3 ALA 15 HB3 ALA 15 -20.366 -1.420 12.496 109 H HIS 16 H HIS 16 -21.957 -0.492 9.374 110 HA HIS 16 HA HIS 16 -22.356 -3.182 8.703 111 HB2 HIS 16 HB2 HIS 16 -24.121 -1.396 8.793 112 HB3 HIS 16 HB3 HIS 16 -23.459 -0.735 7.305 113 HD1 HIS 16 HD1 HIS 16 -26.087 -1.253 6.633 114 HD2 HIS 16 HD2 HIS 16 -23.510 -4.489 6.967 115 HE1 HIS 16 HE1 HIS 16 -27.189 -3.142 5.385 116 HE2 HIS 16 HE2 HIS 16 -25.708 -5.132 5.776 117 H LEU 17 H LEU 17 -20.498 -0.632 7.270 118 HA LEU 17 HA LEU 17 -20.300 -1.647 4.637 119 HB2 LEU 17 HB2 LEU 17 -19.718 0.672 5.364 120 HB3 LEU 17 HB3 LEU 17 -18.307 0.024 6.173 121 HG LEU 17 HG LEU 17 -17.452 -0.754 3.972 122 HD11 LEU 17 HD11 LEU 17 -19.959 0.579 3.028 123 HD12 LEU 17 HD12 LEU 17 -19.324 -1.010 2.610 124 HD13 LEU 17 HD13 LEU 17 -18.547 0.447 1.984 125 HD21 LEU 17 HD21 LEU 17 -16.677 1.330 4.911 126 HD22 LEU 17 HD22 LEU 17 -18.066 2.183 4.235 127 HD23 LEU 17 HD23 LEU 17 -16.849 1.488 3.164 128 H ARG 18 H ARG 18 -18.194 -1.917 7.490 129 HA ARG 18 HA ARG 18 -16.507 -3.867 6.261 130 HB2 ARG 18 HB2 ARG 18 -15.497 -4.098 8.485 131 HB3 ARG 18 HB3 ARG 18 -15.621 -2.410 8.009 132 HG2 ARG 18 HG2 ARG 18 -17.639 -2.203 9.411 133 HG3 ARG 18 HG3 ARG 18 -17.406 -3.871 9.942 134 HD2 ARG 18 HD2 ARG 18 -15.181 -3.247 10.802 135 HD3 ARG 18 HD3 ARG 18 -15.486 -1.577 10.332 136 HE ARG 18 HE ARG 18 -17.517 -2.623 12.054 137 HH11 ARG 18 HH11 ARG 18 -14.324 -1.192 11.967 138 HH12 ARG 18 HH12 ARG 18 -14.396 -0.621 13.602 139 HH21 ARG 18 HH21 ARG 18 -17.620 -1.862 14.204 140 HH22 ARG 18 HH22 ARG 18 -16.273 -1.000 14.875 141 H GLU 19 H GLU 19 -19.372 -3.837 8.223 142 HA GLU 19 HA GLU 19 -19.479 -6.375 9.218 143 HB2 GLU 19 HB2 GLU 19 -21.152 -4.607 9.629 144 HB3 GLU 19 HB3 GLU 19 -21.783 -4.874 8.010 145 HG2 GLU 19 HG2 GLU 19 -23.168 -5.979 9.635 146 HG3 GLU 19 HG3 GLU 19 -22.358 -7.163 8.614 147 H LEU 20 H LEU 20 -20.665 -5.245 6.095 148 HA LEU 20 HA LEU 20 -21.440 -7.794 5.135 149 HB2 LEU 20 HB2 LEU 20 -21.643 -5.088 4.344 150 HB3 LEU 20 HB3 LEU 20 -20.905 -5.957 3.011 151 HG LEU 20 HG LEU 20 -23.444 -6.905 4.315 152 HD11 LEU 20 HD11 LEU 20 -24.675 -5.792 2.547 153 HD12 LEU 20 HD12 LEU 20 -23.183 -5.082 1.932 154 HD13 LEU 20 HD13 LEU 20 -23.791 -4.618 3.521 155 HD21 LEU 20 HD21 LEU 20 -22.250 -8.539 2.976 156 HD22 LEU 20 HD22 LEU 20 -22.173 -7.405 1.627 157 HD23 LEU 20 HD23 LEU 20 -23.732 -8.041 2.157 158 H TYR 21 H TYR 21 -18.474 -5.947 4.977 159 HA TYR 21 HA TYR 21 -17.237 -7.429 2.897 160 HB2 TYR 21 HB2 TYR 21 -16.340 -5.265 3.450 161 HB3 TYR 21 HB3 TYR 21 -16.088 -5.740 5.126 162 HD1 TYR 21 HD1 TYR 21 -13.966 -6.337 5.768 163 HD2 TYR 21 HD2 TYR 21 -15.064 -6.814 1.692 164 HE1 TYR 21 HE1 TYR 21 -11.678 -7.063 5.248 165 HE2 TYR 21 HE2 TYR 21 -12.774 -7.537 1.155 166 HH TYR 21 HH TYR 21 -10.520 -7.361 2.056 167 H LEU 22 H LEU 22 -17.030 -7.556 6.418 168 HA LEU 22 HA LEU 22 -15.201 -9.644 6.641 169 HB2 LEU 22 HB2 LEU 22 -17.484 -9.062 8.524 170 HB3 LEU 22 HB3 LEU 22 -15.997 -9.896 8.907 171 HG LEU 22 HG LEU 22 -16.288 -6.976 8.229 172 HD11 LEU 22 HD11 LEU 22 -17.029 -7.510 10.464 173 HD12 LEU 22 HD12 LEU 22 -15.505 -6.626 10.519 174 HD13 LEU 22 HD13 LEU 22 -15.522 -8.370 10.784 175 HD21 LEU 22 HD21 LEU 22 -13.789 -8.526 8.884 176 HD22 LEU 22 HD22 LEU 22 -13.907 -6.777 8.675 177 HD23 LEU 22 HD23 LEU 22 -14.209 -7.851 7.310 178 H ALA 23 H ALA 23 -18.580 -9.713 5.859 179 HA ALA 23 HA ALA 23 -18.917 -12.525 6.374 180 HB1 ALA 23 HB1 ALA 23 -21.102 -12.253 5.354 181 HB2 ALA 23 HB2 ALA 23 -20.656 -10.644 4.783 182 HB3 ALA 23 HB3 ALA 23 -20.799 -10.960 6.512 183 H ASN 24 H ASN 24 -18.596 -10.536 3.422 184 HA ASN 24 HA ASN 24 -18.783 -12.948 1.811 185 HB2 ASN 24 HB2 ASN 24 -18.852 -10.018 1.156 186 HB3 ASN 24 HB3 ASN 24 -18.729 -11.246 -0.098 187 HD21 ASN 24 HD21 ASN 24 -20.737 -9.828 2.345 188 HD22 ASN 24 HD22 ASN 24 -22.220 -10.563 1.831 189 H LYS 25 H LYS 25 -16.271 -11.277 3.215 190 HA LYS 25 HA LYS 25 -14.350 -11.220 1.156 191 HB2 LYS 25 HB2 LYS 25 -12.665 -11.216 2.960 192 HB3 LYS 25 HB3 LYS 25 -13.955 -10.061 3.257 193 HG2 LYS 25 HG2 LYS 25 -14.927 -11.429 4.920 194 HG3 LYS 25 HG3 LYS 25 -13.924 -12.808 4.471 195 HD2 LYS 25 HD2 LYS 25 -12.840 -10.222 5.579 196 HD3 LYS 25 HD3 LYS 25 -13.208 -11.641 6.561 197 HE2 LYS 25 HE2 LYS 25 -11.625 -12.946 5.145 198 HE3 LYS 25 HE3 LYS 25 -11.191 -11.448 4.326 199 HZ1 LYS 25 HZ1 LYS 25 -9.625 -12.021 6.083 200 HZ2 LYS 25 HZ2 LYS 25 -10.867 -11.959 7.232 201 HZ3 LYS 25 HZ3 LYS 25 -10.404 -10.557 6.410 202 H ASP 26 H ASP 26 -15.690 -13.795 2.966 203 HA ASP 26 HA ASP 26 -13.537 -15.649 2.666 204 HB2 ASP 26 HB2 ASP 26 -15.013 -15.920 4.534 205 HB3 ASP 26 HB3 ASP 26 -16.427 -15.962 3.487 206 H VAL 27 H VAL 27 -16.127 -14.606 0.687 207 HA VAL 27 HA VAL 27 -16.356 -17.035 -0.846 208 HB VAL 27 HB VAL 27 -17.385 -14.299 -1.606 209 HG11 VAL 27 HG11 VAL 27 -18.280 -17.079 -2.366 210 HG12 VAL 27 HG12 VAL 27 -17.422 -15.938 -3.400 211 HG13 VAL 27 HG13 VAL 27 -19.063 -15.578 -2.863 212 HG21 VAL 27 HG21 VAL 27 -19.490 -14.909 -0.514 213 HG22 VAL 27 HG22 VAL 27 -18.159 -14.835 0.642 214 HG23 VAL 27 HG23 VAL 27 -18.751 -16.398 0.077 215 H GLU 28 H GLU 28 -14.685 -17.597 -2.080 216 HA GLU 28 HA GLU 28 -12.929 -15.580 -3.208 217 HB2 GLU 28 HB2 GLU 28 -12.790 -18.594 -3.365 218 HB3 GLU 28 HB3 GLU 28 -11.528 -17.476 -3.866 219 HG2 GLU 28 HG2 GLU 28 -11.270 -16.712 -1.578 220 HG3 GLU 28 HG3 GLU 28 -12.569 -17.786 -1.057 221 H GLY 29 H GLY 29 -12.679 -15.136 -5.347 222 HA2 GLY 29 HA2 GLY 29 -13.047 -15.361 -7.653 223 HA3 GLY 29 HA3 GLY 29 -14.198 -16.652 -7.325 224 H GLN 30 H GLN 30 -14.928 -14.277 -5.219 225 HA GLN 30 HA GLN 30 -16.938 -13.133 -7.026 226 HB2 GLN 30 HB2 GLN 30 -17.994 -14.296 -5.198 227 HB3 GLN 30 HB3 GLN 30 -16.979 -13.465 -4.023 228 HG2 GLN 30 HG2 GLN 30 -18.008 -11.319 -4.778 229 HG3 GLN 30 HG3 GLN 30 -19.131 -12.256 -5.745 230 HE21 GLN 30 HE21 GLN 30 -18.209 -11.250 -2.593 231 HE22 GLN 30 HE22 GLN 30 -19.629 -11.792 -1.790 232 H ASP 31 H ASP 31 -17.176 -10.973 -7.217 233 HA ASP 31 HA ASP 31 -15.257 -9.115 -6.253 234 HB2 ASP 31 HB2 ASP 31 -16.907 -8.904 -8.244 235 HB3 ASP 31 HB3 ASP 31 -18.091 -8.457 -7.015 236 H VAL 32 H VAL 32 -15.066 -8.957 -4.034 237 HA VAL 32 HA VAL 32 -17.294 -9.375 -2.301 238 HB VAL 32 HB VAL 32 -14.895 -9.808 -1.669 239 HG11 VAL 32 HG11 VAL 32 -14.852 -6.812 -1.398 240 HG12 VAL 32 HG12 VAL 32 -13.913 -7.786 -2.529 241 HG13 VAL 32 HG13 VAL 32 -13.604 -7.907 -0.797 242 HG21 VAL 32 HG21 VAL 32 -15.173 -9.053 0.669 243 HG22 VAL 32 HG22 VAL 32 -16.626 -9.811 0.017 244 HG23 VAL 32 HG23 VAL 32 -16.537 -8.056 0.159 245 H VAL 33 H VAL 33 -15.923 -6.596 -3.860 246 HA VAL 33 HA VAL 33 -16.902 -4.581 -2.144 247 HB VAL 33 HB VAL 33 -16.915 -3.948 -5.010 248 HG11 VAL 33 HG11 VAL 33 -15.582 -2.709 -2.626 249 HG12 VAL 33 HG12 VAL 33 -17.103 -2.219 -3.366 250 HG13 VAL 33 HG13 VAL 33 -15.592 -2.034 -4.254 251 HG21 VAL 33 HG21 VAL 33 -14.572 -5.235 -3.737 252 HG22 VAL 33 HG22 VAL 33 -14.287 -3.865 -4.810 253 HG23 VAL 33 HG23 VAL 33 -15.141 -5.290 -5.404 254 H GLU 34 H GLU 34 -18.181 -5.919 -5.189 255 HA GLU 34 HA GLU 34 -20.615 -4.546 -5.128 256 HB2 GLU 34 HB2 GLU 34 -19.833 -7.146 -6.412 257 HB3 GLU 34 HB3 GLU 34 -21.450 -6.471 -6.576 258 HG2 GLU 34 HG2 GLU 34 -20.375 -4.380 -7.452 259 HG3 GLU 34 HG3 GLU 34 -18.856 -5.272 -7.498 260 H ALA 35 H ALA 35 -19.642 -7.544 -3.588 261 HA ALA 35 HA ALA 35 -22.134 -8.382 -2.648 262 HB1 ALA 35 HB1 ALA 35 -19.475 -8.534 -1.232 263 HB2 ALA 35 HB2 ALA 35 -20.091 -9.705 -2.401 264 HB3 ALA 35 HB3 ALA 35 -20.908 -9.491 -0.852 265 H ILE 36 H ILE 36 -19.817 -6.092 -1.292 266 HA ILE 36 HA ILE 36 -21.359 -5.459 1.012 267 HB ILE 36 HB ILE 36 -19.223 -3.798 -0.325 268 HG12 ILE 36 HG12 ILE 36 -18.817 -5.663 1.998 269 HG13 ILE 36 HG13 ILE 36 -18.650 -6.223 0.336 270 HG21 ILE 36 HG21 ILE 36 -20.510 -2.531 1.276 271 HG22 ILE 36 HG22 ILE 36 -18.909 -2.865 1.936 272 HG23 ILE 36 HG23 ILE 36 -20.303 -3.793 2.489 273 HD11 ILE 36 HD11 ILE 36 -17.076 -4.009 1.624 274 HD12 ILE 36 HD12 ILE 36 -16.914 -4.553 -0.043 275 HD13 ILE 36 HD13 ILE 36 -16.503 -5.638 1.281 276 H LEU 37 H LEU 37 -20.602 -3.520 -1.882 277 HA LEU 37 HA LEU 37 -22.250 -1.392 -1.028 278 HB2 LEU 37 HB2 LEU 37 -21.875 -0.491 -3.357 279 HB3 LEU 37 HB3 LEU 37 -20.475 -0.764 -2.355 280 HG LEU 37 HG LEU 37 -20.102 -2.931 -3.636 281 HD11 LEU 37 HD11 LEU 37 -22.260 -3.286 -4.607 282 HD12 LEU 37 HD12 LEU 37 -21.142 -2.928 -5.928 283 HD13 LEU 37 HD13 LEU 37 -22.254 -1.688 -5.351 284 HD21 LEU 37 HD21 LEU 37 -19.948 -0.248 -4.990 285 HD22 LEU 37 HD22 LEU 37 -19.263 -1.717 -5.684 286 HD23 LEU 37 HD23 LEU 37 -18.677 -1.122 -4.134 287 H ALA 38 H ALA 38 -23.023 -4.207 -2.853 288 HA ALA 38 HA ALA 38 -25.423 -2.995 -3.954 289 HB1 ALA 38 HB1 ALA 38 -24.126 -4.553 -5.317 290 HB2 ALA 38 HB2 ALA 38 -25.785 -5.102 -5.079 291 HB3 ALA 38 HB3 ALA 38 -24.471 -5.839 -4.161 292 H HIS 39 H HIS 39 -24.543 -5.179 -1.334 293 HA HIS 39 HA HIS 39 -27.250 -6.057 -0.946 294 HB2 HIS 39 HB2 HIS 39 -24.704 -6.490 0.558 295 HB3 HIS 39 HB3 HIS 39 -26.241 -6.856 1.333 296 HD1 HIS 39 HD1 HIS 39 -27.547 -8.902 0.483 297 HD2 HIS 39 HD2 HIS 39 -23.995 -8.209 -1.553 298 HE1 HIS 39 HE1 HIS 39 -27.134 -10.973 -0.885 299 HE2 HIS 39 HE2 HIS 39 -24.893 -10.594 -1.973 300 H LEU 40 H LEU 40 -25.238 -3.490 0.362 301 HA LEU 40 HA LEU 40 -27.500 -2.706 2.031 302 HB2 LEU 40 HB2 LEU 40 -25.931 -0.849 2.805 303 HB3 LEU 40 HB3 LEU 40 -25.604 -2.480 3.334 304 HG LEU 40 HG LEU 40 -23.875 -2.562 1.427 305 HD11 LEU 40 HD11 LEU 40 -24.583 -0.554 0.233 306 HD12 LEU 40 HD12 LEU 40 -22.916 -0.413 0.791 307 HD13 LEU 40 HD13 LEU 40 -24.204 0.428 1.653 308 HD21 LEU 40 HD21 LEU 40 -23.434 -0.712 3.770 309 HD22 LEU 40 HD22 LEU 40 -22.182 -1.542 2.842 310 HD23 LEU 40 HD23 LEU 40 -23.323 -2.473 3.811 311 H ASN 41 H ASN 41 -28.891 -1.216 1.453 312 HA ASN 41 HA ASN 41 -28.222 0.453 -0.880 313 HB2 ASN 41 HB2 ASN 41 -30.530 0.571 -1.454 314 HB3 ASN 41 HB3 ASN 41 -30.205 -1.116 -1.100 315 HD21 ASN 41 HD21 ASN 41 -30.280 -0.777 1.799 316 HD22 ASN 41 HD22 ASN 41 -31.937 -0.535 2.209 317 H THR 42 H THR 42 -27.305 1.065 1.653 318 HA THR 42 HA THR 42 -29.077 3.044 2.803 319 HB THR 42 HB THR 42 -27.848 1.572 4.317 320 HG1 THR 42 HG1 THR 42 -26.659 4.128 4.636 321 HG21 THR 42 HG21 THR 42 -25.847 1.228 2.911 322 HG22 THR 42 HG22 THR 42 -25.434 1.685 4.561 323 HG23 THR 42 HG23 THR 42 -25.335 2.882 3.263 324 H VAL 43 H VAL 43 -26.148 2.890 0.884 325 HA VAL 43 HA VAL 43 -26.281 5.775 0.523 326 HB VAL 43 HB VAL 43 -24.670 5.397 2.364 327 HG11 VAL 43 HG11 VAL 43 -23.104 3.850 0.328 328 HG12 VAL 43 HG12 VAL 43 -23.868 3.200 1.776 329 HG13 VAL 43 HG13 VAL 43 -22.521 4.329 1.922 330 HG21 VAL 43 HG21 VAL 43 -22.830 6.699 1.429 331 HG22 VAL 43 HG22 VAL 43 -24.412 7.330 0.975 332 HG23 VAL 43 HG23 VAL 43 -23.470 6.400 -0.188 333 HA PRO 44 HA PRO 44 -25.184 4.452 -3.653 334 HB2 PRO 44 HB2 PRO 44 -25.019 7.268 -4.312 335 HB3 PRO 44 HB3 PRO 44 -26.209 6.075 -4.836 336 HG2 PRO 44 HG2 PRO 44 -26.796 8.146 -3.168 337 HG3 PRO 44 HG3 PRO 44 -27.667 6.602 -3.156 338 HD2 PRO 44 HD2 PRO 44 -25.516 7.580 -1.320 339 HD3 PRO 44 HD3 PRO 44 -26.991 6.659 -0.950 340 H ARG 45 H ARG 45 -23.114 3.878 -4.118 341 HA ARG 45 HA ARG 45 -20.987 5.860 -3.654 342 HB2 ARG 45 HB2 ARG 45 -20.580 2.933 -3.111 343 HB3 ARG 45 HB3 ARG 45 -19.508 4.266 -2.719 344 HG2 ARG 45 HG2 ARG 45 -22.189 3.793 -1.473 345 HG3 ARG 45 HG3 ARG 45 -20.659 3.290 -0.779 346 HD2 ARG 45 HD2 ARG 45 -21.618 6.081 -1.290 347 HD3 ARG 45 HD3 ARG 45 -21.356 5.310 0.244 348 HE ARG 45 HE ARG 45 -19.578 6.878 -0.977 349 HH11 ARG 45 HH11 ARG 45 -19.268 3.486 -0.168 350 HH12 ARG 45 HH12 ARG 45 -17.647 3.653 0.405 351 HH21 ARG 45 HH21 ARG 45 -17.464 7.100 -0.145 352 HH22 ARG 45 HH22 ARG 45 -16.622 5.687 0.405 353 H THR 46 H THR 46 -18.915 5.054 -4.583 354 HA THR 46 HA THR 46 -19.277 3.704 -7.158 355 HB THR 46 HB THR 46 -17.286 4.773 -7.868 356 HG1 THR 46 HG1 THR 46 -15.756 5.590 -6.462 357 HG21 THR 46 HG21 THR 46 -18.669 6.620 -5.907 358 HG22 THR 46 HG22 THR 46 -19.055 6.418 -7.621 359 HG23 THR 46 HG23 THR 46 -17.527 7.159 -7.145 360 H ARG 47 H ARG 47 -17.673 1.967 -7.650 361 HA ARG 47 HA ARG 47 -17.298 0.095 -5.617 362 HB2 ARG 47 HB2 ARG 47 -16.096 0.494 -8.318 363 HB3 ARG 47 HB3 ARG 47 -15.310 -0.640 -7.233 364 HG2 ARG 47 HG2 ARG 47 -16.853 -1.764 -8.739 365 HG3 ARG 47 HG3 ARG 47 -17.361 -1.930 -7.062 366 HD2 ARG 47 HD2 ARG 47 -19.110 -0.365 -7.341 367 HD3 ARG 47 HD3 ARG 47 -18.471 0.186 -8.889 368 HE ARG 47 HE ARG 47 -18.986 -2.259 -9.572 369 HH11 ARG 47 HH11 ARG 47 -20.923 -0.299 -7.406 370 HH12 ARG 47 HH12 ARG 47 -22.405 -1.095 -7.819 371 HH21 ARG 47 HH21 ARG 47 -20.956 -3.269 -10.129 372 HH22 ARG 47 HH22 ARG 47 -22.427 -2.762 -9.366 373 H LYS 48 H LYS 48 -15.181 2.580 -6.871 374 HA LYS 48 HA LYS 48 -12.868 2.126 -5.403 375 HB2 LYS 48 HB2 LYS 48 -13.058 3.732 -7.257 376 HB3 LYS 48 HB3 LYS 48 -14.083 4.759 -6.264 377 HG2 LYS 48 HG2 LYS 48 -12.160 4.936 -4.655 378 HG3 LYS 48 HG3 LYS 48 -11.182 4.136 -5.884 379 HD2 LYS 48 HD2 LYS 48 -10.865 6.507 -6.083 380 HD3 LYS 48 HD3 LYS 48 -11.785 5.936 -7.475 381 HE2 LYS 48 HE2 LYS 48 -13.838 6.749 -6.525 382 HE3 LYS 48 HE3 LYS 48 -13.029 7.166 -5.016 383 HZ1 LYS 48 HZ1 LYS 48 -13.344 9.131 -6.343 384 HZ2 LYS 48 HZ2 LYS 48 -12.567 8.422 -7.668 385 HZ3 LYS 48 HZ3 LYS 48 -11.690 8.781 -6.268 386 H GLN 49 H GLN 49 -15.647 4.177 -4.623 387 HA GLN 49 HA GLN 49 -14.719 5.297 -2.259 388 HB2 GLN 49 HB2 GLN 49 -17.475 4.696 -3.264 389 HB3 GLN 49 HB3 GLN 49 -17.210 5.501 -1.731 390 HG2 GLN 49 HG2 GLN 49 -16.210 6.497 -4.379 391 HG3 GLN 49 HG3 GLN 49 -17.693 7.037 -3.582 392 HE21 GLN 49 HE21 GLN 49 -16.991 9.154 -3.446 393 HE22 GLN 49 HE22 GLN 49 -15.767 9.642 -2.330 394 H ILE 50 H ILE 50 -16.480 2.279 -2.744 395 HA ILE 50 HA ILE 50 -16.925 1.723 -0.009 396 HB ILE 50 HB ILE 50 -16.645 -0.258 -2.266 397 HG12 ILE 50 HG12 ILE 50 -18.270 1.663 -2.643 398 HG13 ILE 50 HG13 ILE 50 -18.939 0.048 -2.748 399 HG21 ILE 50 HG21 ILE 50 -16.621 -1.294 -0.090 400 HG22 ILE 50 HG22 ILE 50 -18.173 -1.610 -0.866 401 HG23 ILE 50 HG23 ILE 50 -18.048 -0.381 0.394 402 HD11 ILE 50 HD11 ILE 50 -19.161 1.915 -0.409 403 HD12 ILE 50 HD12 ILE 50 -19.825 0.278 -0.478 404 HD13 ILE 50 HD13 ILE 50 -20.432 1.528 -1.566 405 H ILE 51 H ILE 51 -14.518 0.572 -2.333 406 HA ILE 51 HA ILE 51 -13.069 -1.096 -0.613 407 HB ILE 51 HB ILE 51 -11.970 0.511 -2.931 408 HG12 ILE 51 HG12 ILE 51 -13.069 -2.306 -2.909 409 HG13 ILE 51 HG13 ILE 51 -13.917 -0.902 -3.545 410 HG21 ILE 51 HG21 ILE 51 -10.291 -1.312 -3.044 411 HG22 ILE 51 HG22 ILE 51 -10.940 -1.952 -1.536 412 HG23 ILE 51 HG23 ILE 51 -10.194 -0.354 -1.567 413 HD11 ILE 51 HD11 ILE 51 -11.335 -2.043 -4.584 414 HD12 ILE 51 HD12 ILE 51 -12.142 -0.605 -5.211 415 HD13 ILE 51 HD13 ILE 51 -12.924 -2.182 -5.335 416 H HIS 52 H HIS 52 -12.826 2.319 -1.336 417 HA HIS 52 HA HIS 52 -10.422 2.875 -0.091 418 HB2 HIS 52 HB2 HIS 52 -12.698 4.417 -1.079 419 HB3 HIS 52 HB3 HIS 52 -11.806 5.215 0.215 420 HD1 HIS 52 HD1 HIS 52 -10.071 6.704 -0.732 421 HD2 HIS 52 HD2 HIS 52 -10.565 3.267 -3.012 422 HE1 HIS 52 HE1 HIS 52 -8.329 6.827 -2.539 423 HE2 HIS 52 HE2 HIS 52 -8.532 4.661 -3.787 424 H HIS 53 H HIS 53 -13.694 3.262 1.380 425 HA HIS 53 HA HIS 53 -12.728 4.116 3.875 426 HB2 HIS 53 HB2 HIS 53 -15.258 2.765 3.027 427 HB3 HIS 53 HB3 HIS 53 -14.920 2.993 4.738 428 HD1 HIS 53 HD1 HIS 53 -13.926 5.776 4.943 429 HD2 HIS 53 HD2 HIS 53 -16.975 4.673 2.324 430 HE1 HIS 53 HE1 HIS 53 -15.181 7.891 4.449 431 HE2 HIS 53 HE2 HIS 53 -16.974 7.229 2.821 432 H LEU 54 H LEU 54 -12.888 0.962 2.495 433 HA LEU 54 HA LEU 54 -12.821 -0.376 5.054 434 HB2 LEU 54 HB2 LEU 54 -12.939 -1.342 2.211 435 HB3 LEU 54 HB3 LEU 54 -12.757 -2.440 3.565 436 HG LEU 54 HG LEU 54 -15.042 -0.486 3.447 437 HD11 LEU 54 HD11 LEU 54 -15.052 -1.861 1.382 438 HD12 LEU 54 HD12 LEU 54 -16.431 -2.161 2.437 439 HD13 LEU 54 HD13 LEU 54 -15.092 -3.307 2.390 440 HD21 LEU 54 HD21 LEU 54 -16.097 -2.127 4.926 441 HD22 LEU 54 HD22 LEU 54 -14.579 -1.534 5.596 442 HD23 LEU 54 HD23 LEU 54 -14.650 -3.131 4.850 443 H VAL 55 H VAL 55 -10.655 -0.090 2.223 444 HA VAL 55 HA VAL 55 -8.528 -1.506 3.500 445 HB VAL 55 HB VAL 55 -7.080 -0.669 1.719 446 HG11 VAL 55 HG11 VAL 55 -8.294 -1.613 -0.196 447 HG12 VAL 55 HG12 VAL 55 -9.785 -1.564 0.745 448 HG13 VAL 55 HG13 VAL 55 -8.452 -2.599 1.257 449 HG21 VAL 55 HG21 VAL 55 -7.956 0.797 -0.044 450 HG22 VAL 55 HG22 VAL 55 -7.923 1.606 1.524 451 HG23 VAL 55 HG23 VAL 55 -9.448 1.001 0.873 452 H GLN 56 H GLN 56 -9.663 1.746 3.564 453 HA GLN 56 HA GLN 56 -7.277 2.824 4.762 454 HB2 GLN 56 HB2 GLN 56 -10.031 3.927 4.266 455 HB3 GLN 56 HB3 GLN 56 -8.833 4.818 5.171 456 HG2 GLN 56 HG2 GLN 56 -7.320 4.673 3.194 457 HG3 GLN 56 HG3 GLN 56 -8.646 3.923 2.311 458 HE21 GLN 56 HE21 GLN 56 -10.484 5.164 1.827 459 HE22 GLN 56 HE22 GLN 56 -10.429 6.894 1.805 460 H MET 57 H MET 57 -10.056 1.142 5.864 461 HA MET 57 HA MET 57 -9.893 2.210 8.555 462 HB2 MET 57 HB2 MET 57 -12.022 1.362 7.327 463 HB3 MET 57 HB3 MET 57 -11.460 -0.235 7.796 464 HG2 MET 57 HG2 MET 57 -11.444 0.510 10.156 465 HG3 MET 57 HG3 MET 57 -12.132 2.047 9.639 466 HE1 MET 57 HE1 MET 57 -14.061 0.730 7.219 467 HE2 MET 57 HE2 MET 57 -14.472 2.123 8.220 468 HE3 MET 57 HE3 MET 57 -15.582 0.756 8.113 469 H GLY 58 H GLY 58 -8.099 0.079 6.815 470 HA2 GLY 58 HA2 GLY 58 -6.260 -1.126 7.553 471 HA3 GLY 58 HA3 GLY 58 -6.795 -0.875 9.207 472 H LEU 59 H LEU 59 -9.438 -1.993 7.674 473 HA LEU 59 HA LEU 59 -9.057 -4.645 8.753 474 HB2 LEU 59 HB2 LEU 59 -11.436 -4.975 8.123 475 HB3 LEU 59 HB3 LEU 59 -11.155 -3.633 9.214 476 HG LEU 59 HG LEU 59 -11.155 -2.213 7.012 477 HD11 LEU 59 HD11 LEU 59 -11.229 -4.063 5.463 478 HD12 LEU 59 HD12 LEU 59 -12.702 -3.102 5.344 479 HD13 LEU 59 HD13 LEU 59 -12.724 -4.644 6.194 480 HD21 LEU 59 HD21 LEU 59 -12.754 -1.983 8.825 481 HD22 LEU 59 HD22 LEU 59 -13.666 -3.360 8.211 482 HD23 LEU 59 HD23 LEU 59 -13.560 -1.879 7.262 483 H ALA 60 H ALA 60 -8.805 -3.080 5.763 484 HA ALA 60 HA ALA 60 -8.199 -5.665 4.495 485 HB1 ALA 60 HB1 ALA 60 -10.354 -4.890 3.624 486 HB2 ALA 60 HB2 ALA 60 -9.109 -4.850 2.375 487 HB3 ALA 60 HB3 ALA 60 -9.618 -3.355 3.162 488 H ASP 61 H ASP 61 -6.578 -5.490 2.779 489 HA ASP 61 HA ASP 61 -4.608 -3.494 3.511 490 HB2 ASP 61 HB2 ASP 61 -4.488 -5.937 1.754 491 HB3 ASP 61 HB3 ASP 61 -3.177 -4.765 1.791 492 H SER 62 H SER 62 -5.933 -4.637 0.379 493 HA SER 62 HA SER 62 -5.863 -1.903 -0.604 494 HB2 SER 62 HB2 SER 62 -3.552 -2.699 -0.955 495 HB3 SER 62 HB3 SER 62 -4.168 -4.068 -1.880 496 HG SER 62 HG SER 62 -3.833 -1.434 -2.617 497 H VAL 63 H VAL 63 -6.396 -1.978 -3.060 498 HA VAL 63 HA VAL 63 -8.976 -2.950 -3.463 499 HB VAL 63 HB VAL 63 -6.852 -2.214 -5.490 500 HG11 VAL 63 HG11 VAL 63 -8.563 -3.525 -6.580 501 HG12 VAL 63 HG12 VAL 63 -8.712 -1.832 -7.054 502 HG13 VAL 63 HG13 VAL 63 -9.826 -2.517 -5.871 503 HG21 VAL 63 HG21 VAL 63 -7.883 -0.031 -5.548 504 HG22 VAL 63 HG22 VAL 63 -7.443 -0.425 -3.884 505 HG23 VAL 63 HG23 VAL 63 -9.123 -0.548 -4.407 506 H LYS 64 H LYS 64 -5.887 -4.426 -3.905 507 HA LYS 64 HA LYS 64 -6.399 -6.498 -5.677 508 HB2 LYS 64 HB2 LYS 64 -4.363 -7.329 -4.993 509 HB3 LYS 64 HB3 LYS 64 -4.265 -5.694 -4.370 510 HG2 LYS 64 HG2 LYS 64 -4.877 -6.435 -2.161 511 HG3 LYS 64 HG3 LYS 64 -5.073 -8.086 -2.749 512 HD2 LYS 64 HD2 LYS 64 -2.664 -8.047 -3.414 513 HD3 LYS 64 HD3 LYS 64 -2.523 -6.485 -2.607 514 HE2 LYS 64 HE2 LYS 64 -3.394 -9.056 -1.289 515 HE3 LYS 64 HE3 LYS 64 -1.774 -8.369 -1.191 516 HZ1 LYS 64 HZ1 LYS 64 -3.035 -7.813 0.761 517 HZ2 LYS 64 HZ2 LYS 64 -4.282 -7.132 -0.161 518 HZ3 LYS 64 HZ3 LYS 64 -2.751 -6.403 -0.127 519 H ASP 65 H ASP 65 -7.086 -6.192 -2.280 520 HA ASP 65 HA ASP 65 -7.870 -8.943 -1.944 521 HB2 ASP 65 HB2 ASP 65 -8.295 -6.609 -0.065 522 HB3 ASP 65 HB3 ASP 65 -8.402 -8.317 0.346 523 H PHE 66 H PHE 66 -9.368 -6.349 -3.345 524 HA PHE 66 HA PHE 66 -12.017 -7.012 -2.276 525 HB2 PHE 66 HB2 PHE 66 -10.743 -4.550 -3.276 526 HB3 PHE 66 HB3 PHE 66 -12.429 -4.772 -3.737 527 HD1 PHE 66 HD1 PHE 66 -10.172 -4.829 -0.804 528 HD2 PHE 66 HD2 PHE 66 -14.112 -4.195 -2.286 529 HE1 PHE 66 HE1 PHE 66 -10.886 -4.065 1.415 530 HE2 PHE 66 HE2 PHE 66 -14.822 -3.445 -0.092 531 HZ PHE 66 HZ PHE 66 -13.213 -3.373 1.778 532 H GLN 67 H GLN 67 -10.399 -6.340 -5.376 533 HA GLN 67 HA GLN 67 -12.355 -7.928 -6.774 534 HB2 GLN 67 HB2 GLN 67 -13.470 -6.145 -7.870 535 HB3 GLN 67 HB3 GLN 67 -13.380 -5.704 -6.161 536 HG2 GLN 67 HG2 GLN 67 -11.718 -4.107 -6.533 537 HG3 GLN 67 HG3 GLN 67 -11.382 -4.703 -8.156 538 HE21 GLN 67 HE21 GLN 67 -14.621 -4.351 -6.975 539 HE22 GLN 67 HE22 GLN 67 -15.035 -2.989 -7.946 540 H ARG 68 H ARG 68 -9.408 -7.685 -6.482 541 HA ARG 68 HA ARG 68 -8.736 -7.228 -9.302 542 HB2 ARG 68 HB2 ARG 68 -7.777 -5.775 -6.977 543 HB3 ARG 68 HB3 ARG 68 -6.459 -6.488 -7.894 544 HG2 ARG 68 HG2 ARG 68 -7.409 -5.389 -9.934 545 HG3 ARG 68 HG3 ARG 68 -8.528 -4.538 -8.864 546 HD2 ARG 68 HD2 ARG 68 -6.706 -3.509 -7.685 547 HD3 ARG 68 HD3 ARG 68 -5.530 -4.472 -8.578 548 HE ARG 68 HE ARG 68 -7.243 -2.719 -10.143 549 HH11 ARG 68 HH11 ARG 68 -4.149 -3.256 -8.606 550 HH12 ARG 68 HH12 ARG 68 -3.323 -2.058 -9.548 551 HH21 ARG 68 HH21 ARG 68 -6.147 -1.133 -11.403 552 HH22 ARG 68 HH22 ARG 68 -4.454 -0.859 -11.140 553 H LYS 69 H LYS 69 -7.304 -8.605 -10.188 554 HA LYS 69 HA LYS 69 -5.860 -10.464 -8.431 555 HB2 LYS 69 HB2 LYS 69 -6.291 -10.444 -11.429 556 HB3 LYS 69 HB3 LYS 69 -5.226 -11.578 -10.610 557 HG2 LYS 69 HG2 LYS 69 -7.113 -12.501 -9.393 558 HG3 LYS 69 HG3 LYS 69 -8.193 -11.321 -10.140 559 HD2 LYS 69 HD2 LYS 69 -7.803 -12.264 -12.317 560 HD3 LYS 69 HD3 LYS 69 -6.567 -13.346 -11.672 561 HE2 LYS 69 HE2 LYS 69 -9.477 -13.384 -10.881 562 HE3 LYS 69 HE3 LYS 69 -8.746 -14.464 -12.070 563 HZ1 LYS 69 HZ1 LYS 69 -7.997 -14.282 -9.199 564 HZ2 LYS 69 HZ2 LYS 69 -7.283 -15.309 -10.336 565 HZ3 LYS 69 HZ3 LYS 69 -8.904 -15.517 -9.909 566 H GLY 70 H GLY 70 -5.662 -7.528 -9.857 567 HA2 GLY 70 HA2 GLY 70 -2.838 -7.580 -10.528 568 HA3 GLY 70 HA3 GLY 70 -3.941 -6.228 -10.730 569 H THR 71 H THR 71 -1.258 -6.929 -9.270 570 HA THR 71 HA THR 71 -1.928 -5.480 -6.789 571 HB THR 71 HB THR 71 0.371 -6.624 -6.084 572 HG1 THR 71 HG1 THR 71 -0.722 -8.310 -8.105 573 HG21 THR 71 HG21 THR 71 -0.899 -8.397 -4.990 574 HG22 THR 71 HG22 THR 71 -2.270 -8.091 -6.057 575 HG23 THR 71 HG23 THR 71 -1.762 -6.861 -4.897 576 H HIS 72 H HIS 72 0.008 -4.264 -5.892 577 HA HIS 72 HA HIS 72 1.430 -2.733 -7.761 578 HB2 HIS 72 HB2 HIS 72 2.770 -1.964 -5.945 579 HB3 HIS 72 HB3 HIS 72 1.185 -2.262 -5.245 580 HD1 HIS 72 HD1 HIS 72 1.031 -4.697 -3.966 581 HD2 HIS 72 HD2 HIS 72 4.812 -3.148 -4.681 582 HE1 HIS 72 HE1 HIS 72 2.603 -6.094 -2.605 583 HE2 HIS 72 HE2 HIS 72 4.781 -4.815 -2.700 584 H ILE 73 H ILE 73 2.958 -3.413 -9.162 585 HA ILE 73 HA ILE 73 4.321 -5.907 -8.457 586 HB ILE 73 HB ILE 73 2.639 -5.327 -10.799 587 HG12 ILE 73 HG12 ILE 73 2.417 -6.980 -8.742 588 HG13 ILE 73 HG13 ILE 73 1.786 -7.398 -10.343 589 HG21 ILE 73 HG21 ILE 73 5.266 -6.746 -11.037 590 HG22 ILE 73 HG22 ILE 73 4.587 -5.498 -12.080 591 HG23 ILE 73 HG23 ILE 73 3.911 -7.126 -12.099 592 HD11 ILE 73 HD11 ILE 73 3.692 -8.782 -10.790 593 HD12 ILE 73 HD12 ILE 73 3.025 -9.230 -9.217 594 HD13 ILE 73 HD13 ILE 73 4.484 -8.243 -9.311 595 H VAL 74 H VAL 74 6.363 -5.890 -8.576 596 HA VAL 74 HA VAL 74 7.873 -3.775 -9.765 597 HB VAL 74 HB VAL 74 9.821 -4.967 -8.991 598 HG11 VAL 74 HG11 VAL 74 8.553 -3.824 -7.263 599 HG12 VAL 74 HG12 VAL 74 9.269 -5.295 -6.603 600 HG13 VAL 74 HG13 VAL 74 7.552 -5.258 -7.012 601 HG21 VAL 74 HG21 VAL 74 9.181 -7.225 -9.752 602 HG22 VAL 74 HG22 VAL 74 8.018 -7.333 -8.429 603 HG23 VAL 74 HG23 VAL 74 9.747 -7.229 -8.082 604 H LEU 75 H LEU 75 9.261 -4.031 -11.621 605 HA LEU 75 HA LEU 75 8.001 -5.125 -13.814 606 HB2 LEU 75 HB2 LEU 75 10.157 -4.817 -15.007 607 HB3 LEU 75 HB3 LEU 75 9.634 -3.412 -14.096 608 HG LEU 75 HG LEU 75 11.327 -4.997 -12.427 609 HD11 LEU 75 HD11 LEU 75 12.510 -4.310 -15.116 610 HD12 LEU 75 HD12 LEU 75 12.219 -5.933 -14.489 611 HD13 LEU 75 HD13 LEU 75 13.405 -4.884 -13.707 612 HD21 LEU 75 HD21 LEU 75 11.715 -2.301 -13.729 613 HD22 LEU 75 HD22 LEU 75 12.652 -2.937 -12.378 614 HD23 LEU 75 HD23 LEU 75 10.930 -2.608 -12.178 615 H TRP 76 H TRP 76 7.400 -7.253 -13.653 616 HA TRP 76 HA TRP 76 9.457 -9.260 -13.171 617 HB2 TRP 76 HB2 TRP 76 6.461 -9.346 -13.255 618 HB3 TRP 76 HB3 TRP 76 7.390 -10.832 -13.396 619 HD1 TRP 76 HD1 TRP 76 5.890 -8.610 -10.879 620 HE1 TRP 76 HE1 TRP 76 6.688 -9.237 -8.518 621 HE3 TRP 76 HE3 TRP 76 9.738 -11.704 -12.135 622 HZ2 TRP 76 HZ2 TRP 76 8.685 -10.831 -7.344 623 HZ3 TRP 76 HZ3 TRP 76 11.044 -12.742 -10.327 624 HH2 TRP 76 HH2 TRP 76 10.526 -12.309 -7.994 625 H THR 77 H THR 77 10.617 -9.693 -14.887 626 HA THR 77 HA THR 77 9.301 -10.093 -17.474 627 HB THR 77 HB THR 77 11.636 -10.153 -18.370 628 HG1 THR 77 HG1 THR 77 13.085 -9.080 -16.552 629 HG21 THR 77 HG21 THR 77 10.382 -8.044 -18.369 630 HG22 THR 77 HG22 THR 77 12.097 -7.752 -18.085 631 HG23 THR 77 HG23 THR 77 10.958 -7.695 -16.740 632 H GLY 78 H GLY 78 10.384 -11.999 -18.751 633 HA2 GLY 78 HA2 GLY 78 10.064 -14.441 -17.408 634 HA3 GLY 78 HA3 GLY 78 10.942 -14.229 -18.919 635 H ASP 79 H ASP 79 12.917 -12.507 -18.067 636 HA ASP 79 HA ASP 79 14.901 -14.148 -16.997 637 HB2 ASP 79 HB2 ASP 79 15.303 -12.077 -18.298 638 HB3 ASP 79 HB3 ASP 79 14.720 -11.132 -16.936 639 H GLN 80 H GLN 80 13.242 -11.414 -15.424 640 HA GLN 80 HA GLN 80 14.433 -11.706 -12.923 641 HB2 GLN 80 HB2 GLN 80 13.270 -9.663 -13.547 642 HB3 GLN 80 HB3 GLN 80 11.749 -10.529 -13.642 643 HG2 GLN 80 HG2 GLN 80 11.541 -10.710 -11.365 644 HG3 GLN 80 HG3 GLN 80 13.265 -10.495 -11.082 645 HE21 GLN 80 HE21 GLN 80 10.781 -9.143 -10.092 646 HE22 GLN 80 HE22 GLN 80 11.052 -7.460 -10.370 647 H GLU 81 H GLU 81 11.428 -13.089 -14.160 648 HA GLU 81 HA GLU 81 10.599 -14.152 -11.670 649 HB2 GLU 81 HB2 GLU 81 9.093 -13.716 -13.598 650 HB3 GLU 81 HB3 GLU 81 9.826 -15.077 -14.437 651 HG2 GLU 81 HG2 GLU 81 8.925 -16.629 -12.933 652 HG3 GLU 81 HG3 GLU 81 8.538 -15.385 -11.747 653 H LEU 82 H LEU 82 12.342 -15.548 -14.421 654 HA LEU 82 HA LEU 82 12.600 -18.141 -13.298 655 HB2 LEU 82 HB2 LEU 82 12.917 -17.805 -15.669 656 HB3 LEU 82 HB3 LEU 82 14.253 -16.705 -15.372 657 HG LEU 82 HG LEU 82 15.400 -18.695 -14.232 658 HD11 LEU 82 HD11 LEU 82 13.453 -20.133 -14.050 659 HD12 LEU 82 HD12 LEU 82 14.715 -20.900 -15.013 660 HD13 LEU 82 HD13 LEU 82 13.311 -20.185 -15.807 661 HD21 LEU 82 HD21 LEU 82 14.929 -18.706 -17.203 662 HD22 LEU 82 HD22 LEU 82 16.252 -19.522 -16.367 663 HD23 LEU 82 HD23 LEU 82 16.140 -17.763 -16.332 664 H GLU 83 H GLU 83 14.550 -15.219 -13.165 665 HA GLU 83 HA GLU 83 16.876 -16.345 -12.088 666 HB2 GLU 83 HB2 GLU 83 16.484 -13.983 -13.059 667 HB3 GLU 83 HB3 GLU 83 15.959 -13.558 -11.435 668 HG2 GLU 83 HG2 GLU 83 18.290 -12.986 -11.770 669 HG3 GLU 83 HG3 GLU 83 18.125 -14.248 -10.549 670 H LEU 84 H LEU 84 14.064 -14.853 -10.475 671 HA LEU 84 HA LEU 84 15.041 -15.346 -7.857 672 HB2 LEU 84 HB2 LEU 84 13.268 -13.688 -8.323 673 HB3 LEU 84 HB3 LEU 84 12.176 -14.990 -8.755 674 HG LEU 84 HG LEU 84 13.397 -15.048 -6.024 675 HD11 LEU 84 HD11 LEU 84 12.461 -12.692 -6.619 676 HD12 LEU 84 HD12 LEU 84 12.011 -13.463 -5.101 677 HD13 LEU 84 HD13 LEU 84 10.894 -13.489 -6.461 678 HD21 LEU 84 HD21 LEU 84 10.678 -15.754 -7.123 679 HD22 LEU 84 HD22 LEU 84 11.205 -15.988 -5.456 680 HD23 LEU 84 HD23 LEU 84 11.980 -16.887 -6.761 681 H GLN 85 H GLN 85 13.096 -17.188 -10.125 682 HA GLN 85 HA GLN 85 12.220 -19.250 -8.482 683 HB2 GLN 85 HB2 GLN 85 11.620 -18.826 -10.899 684 HB3 GLN 85 HB3 GLN 85 13.147 -19.557 -11.343 685 HG2 GLN 85 HG2 GLN 85 11.141 -21.026 -9.682 686 HG3 GLN 85 HG3 GLN 85 11.007 -20.975 -11.432 687 HE21 GLN 85 HE21 GLN 85 13.874 -21.112 -11.897 688 HE22 GLN 85 HE22 GLN 85 14.360 -22.717 -11.498 689 H ARG 86 H ARG 86 15.222 -19.076 -10.399 690 HA ARG 86 HA ARG 86 16.271 -21.518 -9.428 691 HB2 ARG 86 HB2 ARG 86 17.741 -19.148 -10.591 692 HB3 ARG 86 HB3 ARG 86 18.400 -20.765 -10.396 693 HG2 ARG 86 HG2 ARG 86 16.597 -21.595 -11.909 694 HG3 ARG 86 HG3 ARG 86 16.158 -19.913 -12.211 695 HD2 ARG 86 HD2 ARG 86 18.812 -21.222 -12.791 696 HD3 ARG 86 HD3 ARG 86 17.605 -20.725 -13.974 697 HE ARG 86 HE ARG 86 18.348 -18.486 -12.451 698 HH11 ARG 86 HH11 ARG 86 19.695 -20.670 -14.831 699 HH12 ARG 86 HH12 ARG 86 20.812 -19.503 -15.460 700 HH21 ARG 86 HH21 ARG 86 19.813 -16.946 -13.252 701 HH22 ARG 86 HH22 ARG 86 20.874 -17.370 -14.568 702 H LEU 87 H LEU 87 16.548 -18.193 -8.304 703 HA LEU 87 HA LEU 87 18.678 -18.667 -6.477 704 HB2 LEU 87 HB2 LEU 87 17.969 -16.443 -7.453 705 HB3 LEU 87 HB3 LEU 87 16.624 -16.469 -6.329 706 HG LEU 87 HG LEU 87 18.303 -16.595 -4.458 707 HD11 LEU 87 HD11 LEU 87 20.596 -15.910 -4.966 708 HD12 LEU 87 HD12 LEU 87 20.227 -15.960 -6.689 709 HD13 LEU 87 HD13 LEU 87 20.190 -17.443 -5.736 710 HD21 LEU 87 HD21 LEU 87 18.462 -14.189 -6.262 711 HD22 LEU 87 HD22 LEU 87 18.838 -14.226 -4.541 712 HD23 LEU 87 HD23 LEU 87 17.188 -14.515 -5.089 713 H PHE 88 H PHE 88 15.172 -18.372 -6.104 714 HA PHE 88 HA PHE 88 14.757 -18.737 -3.456 715 HB2 PHE 88 HB2 PHE 88 12.853 -18.416 -4.736 716 HB3 PHE 88 HB3 PHE 88 13.317 -19.629 -5.917 717 HD1 PHE 88 HD1 PHE 88 12.710 -21.907 -5.657 718 HD2 PHE 88 HD2 PHE 88 11.804 -19.072 -2.617 719 HE1 PHE 88 HE1 PHE 88 11.178 -23.520 -4.619 720 HE2 PHE 88 HE2 PHE 88 10.266 -20.687 -1.573 721 HZ PHE 88 HZ PHE 88 9.955 -22.908 -2.583 722 H GLU 89 H GLU 89 15.356 -21.329 -5.809 723 HA GLU 89 HA GLU 89 15.120 -23.478 -3.994 724 HB2 GLU 89 HB2 GLU 89 16.799 -23.282 -6.485 725 HB3 GLU 89 HB3 GLU 89 16.328 -24.769 -5.683 726 HG2 GLU 89 HG2 GLU 89 14.041 -24.428 -6.258 727 HG3 GLU 89 HG3 GLU 89 14.386 -22.800 -6.850 728 H GLU 90 H GLU 90 17.844 -21.527 -5.025 729 HA GLU 90 HA GLU 90 19.802 -23.310 -3.989 730 HB2 GLU 90 HB2 GLU 90 19.862 -20.561 -5.170 731 HB3 GLU 90 HB3 GLU 90 21.324 -21.324 -4.544 732 HG2 GLU 90 HG2 GLU 90 19.545 -22.405 -6.714 733 HG3 GLU 90 HG3 GLU 90 21.110 -21.625 -6.949 734 H PHE 91 H PHE 91 18.472 -20.215 -2.877 735 HA PHE 91 HA PHE 91 20.136 -20.437 -0.473 736 HB2 PHE 91 HB2 PHE 91 18.599 -18.155 -1.688 737 HB3 PHE 91 HB3 PHE 91 19.153 -18.095 -0.017 738 HD1 PHE 91 HD1 PHE 91 20.215 -18.204 -3.530 739 HD2 PHE 91 HD2 PHE 91 21.466 -17.832 0.520 740 HE1 PHE 91 HE1 PHE 91 22.436 -17.465 -4.287 741 HE2 PHE 91 HE2 PHE 91 23.685 -17.084 -0.230 742 HZ PHE 91 HZ PHE 91 24.173 -16.902 -2.637 743 H ARG 92 H ARG 92 17.598 -21.963 -1.182 744 HA ARG 92 HA ARG 92 15.640 -21.111 0.726 745 HB2 ARG 92 HB2 ARG 92 15.270 -22.464 -1.434 746 HB3 ARG 92 HB3 ARG 92 15.785 -23.855 -0.491 747 HG2 ARG 92 HG2 ARG 92 13.963 -23.562 1.039 748 HG3 ARG 92 HG3 ARG 92 13.498 -22.055 0.253 749 HD2 ARG 92 HD2 ARG 92 12.939 -23.241 -1.781 750 HD3 ARG 92 HD3 ARG 92 13.506 -24.756 -1.085 751 HE ARG 92 HE ARG 92 11.397 -23.426 0.384 752 HH11 ARG 92 HH11 ARG 92 12.185 -25.771 -2.082 753 HH12 ARG 92 HH12 ARG 92 10.737 -26.698 -1.841 754 HH21 ARG 92 HH21 ARG 92 9.473 -24.642 0.693 755 HH22 ARG 92 HH22 ARG 92 9.214 -26.076 -0.254 756 H ASP 93 H ASP 93 18.535 -22.773 0.940 757 HA ASP 93 HA ASP 93 17.958 -24.479 3.157 758 HB2 ASP 93 HB2 ASP 93 19.837 -24.885 1.614 759 HB3 ASP 93 HB3 ASP 93 20.607 -23.398 2.153 760 H SER 94 H SER 94 17.697 -21.311 3.013 761 HA SER 94 HA SER 94 18.930 -20.741 5.613 762 HB2 SER 94 HB2 SER 94 17.629 -18.755 3.742 763 HB3 SER 94 HB3 SER 94 18.764 -18.427 5.052 764 HG SER 94 HG SER 94 19.240 -19.538 2.508 765 H ASP 95 H ASP 95 17.572 -19.482 7.147 766 HA ASP 95 HA ASP 95 15.090 -20.772 7.559 767 HB2 ASP 95 HB2 ASP 95 16.722 -19.620 9.243 768 HB3 ASP 95 HB3 ASP 95 15.779 -18.180 8.888 769 H ASP 96 H ASP 96 15.883 -17.422 6.675 770 HA ASP 96 HA ASP 96 13.233 -17.180 5.427 771 HB2 ASP 96 HB2 ASP 96 15.298 -15.094 6.161 772 HB3 ASP 96 HB3 ASP 96 13.906 -14.742 5.147 773 H VAL 97 H VAL 97 13.473 -18.201 3.439 774 HA VAL 97 HA VAL 97 15.823 -17.992 1.885 775 HB VAL 97 HB VAL 97 14.233 -19.808 1.476 776 HG11 VAL 97 HG11 VAL 97 12.420 -17.741 0.251 777 HG12 VAL 97 HG12 VAL 97 12.142 -18.542 1.800 778 HG13 VAL 97 HG13 VAL 97 12.153 -19.485 0.307 779 HG21 VAL 97 HG21 VAL 97 14.648 -18.013 -0.906 780 HG22 VAL 97 HG22 VAL 97 14.253 -19.730 -0.981 781 HG23 VAL 97 HG23 VAL 97 15.787 -19.206 -0.285 782 H LEU 98 H LEU 98 12.843 -16.108 1.961 783 HA LEU 98 HA LEU 98 13.287 -14.535 -0.304 784 HB2 LEU 98 HB2 LEU 98 11.960 -13.653 2.258 785 HB3 LEU 98 HB3 LEU 98 11.790 -12.893 0.690 786 HG LEU 98 HG LEU 98 10.968 -15.461 0.177 787 HD11 LEU 98 HD11 LEU 98 10.999 -16.137 2.463 788 HD12 LEU 98 HD12 LEU 98 9.313 -15.917 1.980 789 HD13 LEU 98 HD13 LEU 98 10.124 -14.688 2.952 790 HD21 LEU 98 HD21 LEU 98 9.887 -13.444 -0.604 791 HD22 LEU 98 HD22 LEU 98 9.327 -13.083 1.027 792 HD23 LEU 98 HD23 LEU 98 8.709 -14.498 0.175 793 H GLY 99 H GLY 99 14.381 -14.159 3.028 794 HA2 GLY 99 HA2 GLY 99 15.421 -11.601 2.933 795 HA3 GLY 99 HA3 GLY 99 16.060 -12.897 3.939 796 H HIS 100 H HIS 100 17.027 -14.629 1.982 797 HA HIS 100 HA HIS 100 19.427 -13.192 1.263 798 HB2 HIS 100 HB2 HIS 100 18.634 -16.092 1.084 799 HB3 HIS 100 HB3 HIS 100 20.121 -15.491 0.352 800 HD1 HIS 100 HD1 HIS 100 22.079 -15.019 1.889 801 HD2 HIS 100 HD2 HIS 100 18.577 -15.920 3.940 802 HE1 HIS 100 HE1 HIS 100 22.741 -15.240 4.296 803 HE2 HIS 100 HE2 HIS 100 20.574 -15.544 5.537 804 H ILE 101 H ILE 101 16.567 -14.366 -0.296 805 HA ILE 101 HA ILE 101 17.354 -14.098 -2.972 806 HB ILE 101 HB ILE 101 14.667 -13.671 -1.655 807 HG12 ILE 101 HG12 ILE 101 15.749 -15.898 -3.404 808 HG13 ILE 101 HG13 ILE 101 15.523 -15.978 -1.660 809 HG21 ILE 101 HG21 ILE 101 13.682 -13.688 -3.902 810 HG22 ILE 101 HG22 ILE 101 15.297 -13.679 -4.607 811 HG23 ILE 101 HG23 ILE 101 14.741 -12.300 -3.660 812 HD11 ILE 101 HD11 ILE 101 13.112 -15.708 -1.969 813 HD12 ILE 101 HD12 ILE 101 13.731 -17.120 -2.822 814 HD13 ILE 101 HD13 ILE 101 13.349 -15.649 -3.715 815 H MET 102 H MET 102 15.775 -11.747 -0.813 816 HA MET 102 HA MET 102 15.744 -9.629 -2.692 817 HB2 MET 102 HB2 MET 102 15.816 -9.159 0.279 818 HB3 MET 102 HB3 MET 102 14.948 -8.263 -0.959 819 HG2 MET 102 HG2 MET 102 13.278 -9.913 -1.130 820 HG3 MET 102 HG3 MET 102 14.241 -11.089 -0.262 821 HE1 MET 102 HE1 MET 102 12.052 -7.514 1.597 822 HE2 MET 102 HE2 MET 102 11.845 -8.086 -0.061 823 HE3 MET 102 HE3 MET 102 13.360 -7.322 0.429 824 H LYS 103 H LYS 103 18.110 -10.822 -0.495 825 HA LYS 103 HA LYS 103 19.694 -8.452 -0.299 826 HB2 LYS 103 HB2 LYS 103 19.615 -10.285 1.409 827 HB3 LYS 103 HB3 LYS 103 20.473 -11.316 0.278 828 HG2 LYS 103 HG2 LYS 103 22.096 -10.517 1.769 829 HG3 LYS 103 HG3 LYS 103 22.314 -9.586 0.289 830 HD2 LYS 103 HD2 LYS 103 22.467 -8.112 2.194 831 HD3 LYS 103 HD3 LYS 103 20.992 -7.752 1.293 832 HE2 LYS 103 HE2 LYS 103 19.647 -8.913 2.898 833 HE3 LYS 103 HE3 LYS 103 21.077 -9.539 3.719 834 HZ1 LYS 103 HZ1 LYS 103 20.285 -6.688 3.552 835 HZ2 LYS 103 HZ2 LYS 103 21.658 -7.277 4.336 836 HZ3 LYS 103 HZ3 LYS 103 20.121 -7.679 4.910 837 H ASN 104 H ASN 104 19.850 -11.416 -2.242 838 HA ASN 104 HA ASN 104 22.390 -10.485 -3.398 839 HB2 ASN 104 HB2 ASN 104 21.189 -13.245 -3.183 840 HB3 ASN 104 HB3 ASN 104 22.606 -12.893 -4.162 841 HD21 ASN 104 HD21 ASN 104 23.906 -14.245 -2.957 842 HD22 ASN 104 HD22 ASN 104 24.427 -13.853 -1.355 843 H ILE 105 H ILE 105 19.219 -10.354 -4.208 844 HA ILE 105 HA ILE 105 19.582 -11.194 -6.974 845 HB ILE 105 HB ILE 105 17.487 -11.742 -5.720 846 HG12 ILE 105 HG12 ILE 105 15.946 -11.168 -7.602 847 HG13 ILE 105 HG13 ILE 105 17.224 -10.162 -8.274 848 HG21 ILE 105 HG21 ILE 105 16.917 -8.809 -6.070 849 HG22 ILE 105 HG22 ILE 105 17.194 -9.637 -4.538 850 HG23 ILE 105 HG23 ILE 105 15.767 -10.020 -5.501 851 HD11 ILE 105 HD11 ILE 105 18.647 -12.114 -8.522 852 HD12 ILE 105 HD12 ILE 105 17.114 -12.337 -9.360 853 HD13 ILE 105 HD13 ILE 105 17.393 -13.130 -7.811 854 H THR 106 H THR 106 18.908 -9.799 -8.717 855 HA THR 106 HA THR 106 20.336 -7.360 -8.607 856 HB THR 106 HB THR 106 20.158 -8.948 -10.548 857 HG1 THR 106 HG1 THR 106 20.330 -7.278 -12.046 858 HG21 THR 106 HG21 THR 106 17.472 -7.621 -10.865 859 HG22 THR 106 HG22 THR 106 17.781 -9.330 -10.564 860 HG23 THR 106 HG23 THR 106 18.261 -8.604 -12.098 861 H ALA 107 H ALA 107 16.886 -8.162 -8.595 862 HA ALA 107 HA ALA 107 16.199 -5.317 -8.684 863 HB1 ALA 107 HB1 ALA 107 14.372 -7.704 -8.765 864 HB2 ALA 107 HB2 ALA 107 14.977 -6.846 -10.184 865 HB3 ALA 107 HB3 ALA 107 13.917 -6.023 -9.037 866 H LYS 108 H LYS 108 15.626 -4.252 -6.914 867 HA LYS 108 HA LYS 108 15.519 -5.755 -4.430 868 HB2 LYS 108 HB2 LYS 108 15.349 -2.759 -4.672 869 HB3 LYS 108 HB3 LYS 108 15.894 -3.713 -3.301 870 HG2 LYS 108 HG2 LYS 108 17.342 -3.126 -5.863 871 HG3 LYS 108 HG3 LYS 108 17.837 -2.780 -4.210 872 HD2 LYS 108 HD2 LYS 108 17.620 -5.528 -5.440 873 HD3 LYS 108 HD3 LYS 108 19.115 -4.632 -5.189 874 HE2 LYS 108 HE2 LYS 108 17.237 -5.456 -2.983 875 HE3 LYS 108 HE3 LYS 108 18.653 -6.380 -3.479 876 HZ1 LYS 108 HZ1 LYS 108 19.111 -4.968 -1.564 877 HZ2 LYS 108 HZ2 LYS 108 18.705 -3.591 -2.456 878 HZ3 LYS 108 HZ3 LYS 108 20.050 -4.517 -2.896 879 H ARG 109 H ARG 109 13.635 -6.538 -3.888 880 HA ARG 109 HA ARG 109 11.207 -4.954 -4.360 881 HB2 ARG 109 HB2 ARG 109 10.047 -6.962 -5.158 882 HB3 ARG 109 HB3 ARG 109 11.434 -6.603 -6.178 883 HG2 ARG 109 HG2 ARG 109 12.732 -8.297 -4.901 884 HG3 ARG 109 HG3 ARG 109 11.246 -8.721 -4.053 885 HD2 ARG 109 HD2 ARG 109 11.386 -10.294 -5.767 886 HD3 ARG 109 HD3 ARG 109 10.246 -9.098 -6.378 887 HE ARG 109 HE ARG 109 11.877 -8.353 -7.904 888 HH11 ARG 109 HH11 ARG 109 13.075 -10.959 -5.907 889 HH12 ARG 109 HH12 ARG 109 14.286 -11.453 -7.040 890 HH21 ARG 109 HH21 ARG 109 13.475 -9.011 -9.423 891 HH22 ARG 109 HH22 ARG 109 14.521 -10.339 -9.044 892 H SER 110 H SER 110 9.313 -6.010 -3.134 893 HA SER 110 HA SER 110 10.267 -6.445 -0.414 894 HB2 SER 110 HB2 SER 110 7.394 -6.066 -1.236 895 HB3 SER 110 HB3 SER 110 8.157 -5.673 0.304 896 HG SER 110 HG SER 110 9.379 -4.067 -0.880 897 H ARG 111 H ARG 111 9.056 -7.976 0.971 898 HA ARG 111 HA ARG 111 9.275 -10.557 -0.176 899 HB2 ARG 111 HB2 ARG 111 8.382 -9.582 2.515 900 HB3 ARG 111 HB3 ARG 111 8.333 -11.289 2.085 901 HG2 ARG 111 HG2 ARG 111 10.775 -11.074 1.497 902 HG3 ARG 111 HG3 ARG 111 10.725 -9.492 2.275 903 HD2 ARG 111 HD2 ARG 111 10.038 -10.489 4.353 904 HD3 ARG 111 HD3 ARG 111 9.931 -12.075 3.589 905 HE ARG 111 HE ARG 111 12.532 -10.932 3.314 906 HH11 ARG 111 HH11 ARG 111 10.402 -12.706 5.451 907 HH12 ARG 111 HH12 ARG 111 11.686 -13.377 6.417 908 HH21 ARG 111 HH21 ARG 111 14.244 -11.720 4.665 909 HH22 ARG 111 HH22 ARG 111 13.862 -12.778 5.987 910 H ALA 112 H ALA 112 6.473 -8.655 0.887 911 HA ALA 112 HA ALA 112 4.526 -10.619 0.573 912 HB1 ALA 112 HB1 ALA 112 2.920 -8.798 0.370 913 HB2 ALA 112 HB2 ALA 112 4.226 -7.663 0.037 914 HB3 ALA 112 HB3 ALA 112 4.108 -8.430 1.621 915 H ARG 113 H ARG 113 6.204 -8.677 -1.752 916 HA ARG 113 HA ARG 113 4.461 -9.315 -3.954 917 HB2 ARG 113 HB2 ARG 113 6.310 -7.338 -3.447 918 HB3 ARG 113 HB3 ARG 113 7.166 -8.364 -4.586 919 HG2 ARG 113 HG2 ARG 113 4.438 -7.183 -5.048 920 HG3 ARG 113 HG3 ARG 113 5.953 -6.501 -5.640 921 HD2 ARG 113 HD2 ARG 113 5.078 -7.710 -7.447 922 HD3 ARG 113 HD3 ARG 113 6.334 -8.735 -6.778 923 HE ARG 113 HE ARG 113 4.752 -10.297 -6.255 924 HH11 ARG 113 HH11 ARG 113 3.115 -7.237 -6.753 925 HH12 ARG 113 HH12 ARG 113 1.548 -7.970 -6.940 926 HH21 ARG 113 HH21 ARG 113 2.660 -11.239 -6.480 927 HH22 ARG 113 HH22 ARG 113 1.295 -10.213 -6.771 928 H ILE 114 H ILE 114 7.480 -10.469 -2.611 929 HA ILE 114 HA ILE 114 8.159 -12.234 -4.746 930 HB ILE 114 HB ILE 114 9.002 -12.205 -1.842 931 HG12 ILE 114 HG12 ILE 114 10.494 -11.316 -4.308 932 HG13 ILE 114 HG13 ILE 114 9.640 -10.229 -3.217 933 HG21 ILE 114 HG21 ILE 114 9.280 -14.435 -2.735 934 HG22 ILE 114 HG22 ILE 114 10.855 -13.666 -2.528 935 HG23 ILE 114 HG23 ILE 114 10.140 -13.796 -4.137 936 HD11 ILE 114 HD11 ILE 114 11.993 -11.978 -2.506 937 HD12 ILE 114 HD12 ILE 114 11.125 -10.931 -1.380 938 HD13 ILE 114 HD13 ILE 114 12.016 -10.229 -2.734 939 H VAL 115 H VAL 115 6.551 -12.576 -1.638 940 HA VAL 115 HA VAL 115 6.226 -15.305 -1.470 941 HB VAL 115 HB VAL 115 4.533 -13.017 -0.520 942 HG11 VAL 115 HG11 VAL 115 2.986 -14.832 -0.784 943 HG12 VAL 115 HG12 VAL 115 3.347 -14.642 0.931 944 HG13 VAL 115 HG13 VAL 115 4.095 -15.946 0.012 945 HG21 VAL 115 HG21 VAL 115 6.368 -14.949 0.890 946 HG22 VAL 115 HG22 VAL 115 5.411 -13.695 1.678 947 HG23 VAL 115 HG23 VAL 115 6.687 -13.249 0.546 948 H ASP 116 H ASP 116 3.881 -12.980 -2.847 949 HA ASP 116 HA ASP 116 2.045 -14.881 -3.775 950 HB2 ASP 116 HB2 ASP 116 1.495 -12.508 -3.659 951 HB3 ASP 116 HB3 ASP 116 2.688 -12.147 -4.898 952 H LYS 117 H LYS 117 4.978 -13.610 -5.202 953 HA LYS 117 HA LYS 117 4.619 -14.619 -7.802 954 HB2 LYS 117 HB2 LYS 117 6.232 -12.864 -7.281 955 HB3 LYS 117 HB3 LYS 117 7.151 -13.972 -6.280 956 HG2 LYS 117 HG2 LYS 117 8.185 -13.558 -8.462 957 HG3 LYS 117 HG3 LYS 117 7.800 -15.256 -8.199 958 HD2 LYS 117 HD2 LYS 117 7.292 -14.418 -10.483 959 HD3 LYS 117 HD3 LYS 117 5.907 -15.125 -9.654 960 HE2 LYS 117 HE2 LYS 117 5.140 -12.846 -9.099 961 HE3 LYS 117 HE3 LYS 117 6.509 -12.189 -9.997 962 HZ1 LYS 117 HZ1 LYS 117 4.702 -12.159 -11.477 963 HZ2 LYS 117 HZ2 LYS 117 4.200 -13.711 -11.048 964 HZ3 LYS 117 HZ3 LYS 117 5.619 -13.507 -11.950 965 H LEU 118 H LEU 118 6.001 -16.071 -4.873 966 HA LEU 118 HA LEU 118 6.969 -18.431 -6.101 967 HB2 LEU 118 HB2 LEU 118 5.890 -18.065 -3.311 968 HB3 LEU 118 HB3 LEU 118 6.766 -19.471 -3.873 969 HG LEU 118 HG LEU 118 7.812 -16.708 -3.353 970 HD11 LEU 118 HD11 LEU 118 8.478 -19.484 -2.392 971 HD12 LEU 118 HD12 LEU 118 7.725 -18.181 -1.467 972 HD13 LEU 118 HD13 LEU 118 9.406 -18.036 -1.984 973 HD21 LEU 118 HD21 LEU 118 9.959 -17.439 -4.272 974 HD22 LEU 118 HD22 LEU 118 8.712 -17.397 -5.518 975 HD23 LEU 118 HD23 LEU 118 9.215 -18.941 -4.823 976 H LEU 119 H LEU 119 3.887 -17.609 -4.607 977 HA LEU 119 HA LEU 119 2.648 -20.124 -4.852 978 HB2 LEU 119 HB2 LEU 119 1.663 -17.316 -4.527 979 HB3 LEU 119 HB3 LEU 119 0.518 -18.602 -4.840 980 HG LEU 119 HG LEU 119 0.698 -18.067 -2.436 981 HD11 LEU 119 HD11 LEU 119 1.670 -20.808 -3.209 982 HD12 LEU 119 HD12 LEU 119 -0.009 -20.272 -3.114 983 HD13 LEU 119 HD13 LEU 119 0.972 -20.369 -1.651 984 HD21 LEU 119 HD21 LEU 119 3.046 -17.437 -2.309 985 HD22 LEU 119 HD22 LEU 119 3.529 -19.090 -2.695 986 HD23 LEU 119 HD23 LEU 119 2.694 -18.744 -1.179 987 H ALA 120 H ALA 120 3.076 -17.480 -7.033 988 HA ALA 120 HA ALA 120 1.107 -18.291 -8.935 989 HB1 ALA 120 HB1 ALA 120 3.459 -16.457 -9.345 990 HB2 ALA 120 HB2 ALA 120 1.924 -15.967 -8.625 991 HB3 ALA 120 HB3 ALA 120 1.976 -16.526 -10.300 992 H LEU 121 H LEU 121 4.623 -18.680 -8.654 993 HA LEU 121 HA LEU 121 4.900 -20.164 -11.083 994 HB2 LEU 121 HB2 LEU 121 6.616 -19.604 -8.704 995 HB3 LEU 121 HB3 LEU 121 7.082 -20.889 -9.798 996 HG LEU 121 HG LEU 121 7.258 -19.315 -11.629 997 HD11 LEU 121 HD11 LEU 121 7.013 -16.915 -11.287 998 HD12 LEU 121 HD12 LEU 121 6.456 -17.206 -9.639 999 HD13 LEU 121 HD13 LEU 121 5.492 -17.763 -11.007 1000 HD21 LEU 121 HD21 LEU 121 9.150 -17.985 -10.766 1001 HD22 LEU 121 HD22 LEU 121 9.210 -19.675 -10.259 1002 HD23 LEU 121 HD23 LEU 121 8.679 -18.433 -9.125 1003 H GLY 122 H GLY 122 3.971 -20.907 -7.855 1004 HA2 GLY 122 HA2 GLY 122 3.251 -22.912 -6.943 1005 HA3 GLY 122 HA3 GLY 122 3.640 -23.711 -8.464 1006 H LEU 123 H LEU 123 5.896 -21.694 -6.728 1007 HA LEU 123 HA LEU 123 7.798 -23.835 -6.504 1008 HB2 LEU 123 HB2 LEU 123 7.782 -20.981 -5.551 1009 HB3 LEU 123 HB3 LEU 123 9.115 -22.078 -5.236 1010 HG LEU 123 HG LEU 123 8.146 -21.232 -7.969 1011 HD11 LEU 123 HD11 LEU 123 9.252 -19.414 -6.822 1012 HD12 LEU 123 HD12 LEU 123 10.304 -20.053 -8.084 1013 HD13 LEU 123 HD13 LEU 123 10.602 -20.468 -6.396 1014 HD21 LEU 123 HD21 LEU 123 10.497 -22.931 -7.147 1015 HD22 LEU 123 HD22 LEU 123 10.138 -22.393 -8.785 1016 HD23 LEU 123 HD23 LEU 123 9.043 -23.499 -7.965 1017 H VAL 124 H VAL 124 5.386 -22.374 -4.626 1018 HA VAL 124 HA VAL 124 5.826 -24.340 -2.497 1019 HB VAL 124 HB VAL 124 5.227 -22.703 -0.781 1020 HG11 VAL 124 HG11 VAL 124 7.589 -23.083 -1.235 1021 HG12 VAL 124 HG12 VAL 124 7.311 -21.402 -0.783 1022 HG13 VAL 124 HG13 VAL 124 7.568 -21.829 -2.474 1023 HG21 VAL 124 HG21 VAL 124 5.193 -20.286 -1.352 1024 HG22 VAL 124 HG22 VAL 124 3.872 -21.195 -2.082 1025 HG23 VAL 124 HG23 VAL 124 5.263 -20.727 -3.059 1026 H ALA 125 H ALA 125 3.772 -24.285 -1.040 1027 HA ALA 125 HA ALA 125 1.437 -24.163 -2.835 1028 HB1 ALA 125 HB1 ALA 125 2.012 -26.444 -2.188 1029 HB2 ALA 125 HB2 ALA 125 0.460 -25.965 -1.503 1030 HB3 ALA 125 HB3 ALA 125 1.900 -25.998 -0.486 1031 H GLU 126 H GLU 126 2.881 -22.709 -0.267 1032 HA GLU 126 HA GLU 126 0.645 -21.162 0.524 1033 HB2 GLU 126 HB2 GLU 126 0.492 -21.973 2.853 1034 HB3 GLU 126 HB3 GLU 126 0.008 -23.208 1.695 1035 HG2 GLU 126 HG2 GLU 126 2.331 -24.132 1.861 1036 HG3 GLU 126 HG3 GLU 126 2.602 -23.022 3.200 1037 H ARG 127 H ARG 127 1.306 -19.905 2.636 1038 HA ARG 127 HA ARG 127 3.917 -18.833 2.107 1039 HB2 ARG 127 HB2 ARG 127 1.689 -18.096 3.962 1040 HB3 ARG 127 HB3 ARG 127 3.286 -17.404 4.203 1041 HG2 ARG 127 HG2 ARG 127 2.036 -15.869 2.910 1042 HG3 ARG 127 HG3 ARG 127 3.212 -16.615 1.842 1043 HD2 ARG 127 HD2 ARG 127 1.547 -18.026 0.884 1044 HD3 ARG 127 HD3 ARG 127 0.348 -17.510 2.069 1045 HE ARG 127 HE ARG 127 1.251 -15.241 0.713 1046 HH11 ARG 127 HH11 ARG 127 -0.615 -18.137 0.057 1047 HH12 ARG 127 HH12 ARG 127 -1.520 -17.412 -1.232 1048 HH21 ARG 127 HH21 ARG 127 0.051 -14.285 -0.968 1049 HH22 ARG 127 HH22 ARG 127 -1.139 -15.223 -1.820 1050 H ARG 128 H ARG 128 2.628 -21.148 4.245 1051 HA ARG 128 HA ARG 128 4.315 -20.987 6.459 1052 HB2 ARG 128 HB2 ARG 128 2.286 -22.424 6.240 1053 HB3 ARG 128 HB3 ARG 128 3.195 -23.486 5.177 1054 HG2 ARG 128 HG2 ARG 128 4.844 -23.642 7.169 1055 HG3 ARG 128 HG3 ARG 128 3.470 -23.066 8.114 1056 HD2 ARG 128 HD2 ARG 128 3.717 -25.591 6.508 1057 HD3 ARG 128 HD3 ARG 128 3.371 -25.416 8.225 1058 HE ARG 128 HE ARG 128 1.422 -24.410 6.275 1059 HH11 ARG 128 HH11 ARG 128 2.303 -26.806 8.680 1060 HH12 ARG 128 HH12 ARG 128 0.692 -27.426 8.836 1061 HH21 ARG 128 HH21 ARG 128 -0.684 -25.222 6.468 1062 HH22 ARG 128 HH22 ARG 128 -1.023 -26.498 7.595 1063 H GLU 129 H GLU 129 4.830 -22.290 3.279 1064 HA GLU 129 HA GLU 129 7.074 -23.919 4.055 1065 HB2 GLU 129 HB2 GLU 129 5.833 -23.371 1.363 1066 HB3 GLU 129 HB3 GLU 129 7.060 -24.578 1.684 1067 HG2 GLU 129 HG2 GLU 129 4.253 -24.511 2.758 1068 HG3 GLU 129 HG3 GLU 129 4.907 -25.637 1.572 1069 H LEU 130 H LEU 130 6.772 -20.691 3.347 1070 HA LEU 130 HA LEU 130 9.106 -20.442 1.645 1071 HB2 LEU 130 HB2 LEU 130 8.046 -18.045 3.016 1072 HB3 LEU 130 HB3 LEU 130 8.532 -18.259 1.348 1073 HG LEU 130 HG LEU 130 5.905 -19.026 2.595 1074 HD11 LEU 130 HD11 LEU 130 6.118 -16.687 2.080 1075 HD12 LEU 130 HD12 LEU 130 5.010 -17.459 0.945 1076 HD13 LEU 130 HD13 LEU 130 6.656 -17.068 0.443 1077 HD21 LEU 130 HD21 LEU 130 6.769 -19.497 -0.251 1078 HD22 LEU 130 HD22 LEU 130 5.205 -19.881 0.477 1079 HD23 LEU 130 HD23 LEU 130 6.652 -20.751 0.990 1080 H TYR 131 H TYR 131 8.457 -20.782 4.882 1081 HA TYR 131 HA TYR 131 11.082 -19.703 5.660 1082 HB2 TYR 131 HB2 TYR 131 8.674 -19.920 7.483 1083 HB3 TYR 131 HB3 TYR 131 10.169 -19.037 7.774 1084 HD1 TYR 131 HD1 TYR 131 10.479 -16.813 6.911 1085 HD2 TYR 131 HD2 TYR 131 6.982 -19.024 5.905 1086 HE1 TYR 131 HE1 TYR 131 9.443 -14.770 6.023 1087 HE2 TYR 131 HE2 TYR 131 5.934 -16.986 5.015 1088 HH TYR 131 HH TYR 131 7.741 -14.016 4.654 1089 H LYS 132 H LYS 132 12.393 -21.395 6.118 1090 HA LYS 132 HA LYS 132 11.458 -24.001 5.858 1091 HB2 LYS 132 HB2 LYS 132 13.637 -24.706 6.061 1092 HB3 LYS 132 HB3 LYS 132 13.880 -23.017 5.646 1093 HG2 LYS 132 HG2 LYS 132 14.271 -22.472 7.978 1094 HG3 LYS 132 HG3 LYS 132 13.978 -24.149 8.433 1095 HD2 LYS 132 HD2 LYS 132 15.877 -24.801 6.939 1096 HD3 LYS 132 HD3 LYS 132 16.222 -23.083 6.727 1097 HE2 LYS 132 HE2 LYS 132 16.187 -24.552 9.362 1098 HE3 LYS 132 HE3 LYS 132 17.634 -24.121 8.453 1099 HZ1 LYS 132 HZ1 LYS 132 17.134 -22.556 10.250 1100 HZ2 LYS 132 HZ2 LYS 132 15.660 -22.162 9.514 1101 HZ3 LYS 132 HZ3 LYS 132 17.124 -21.810 8.736 1102 H LYS 133 H LYS 133 10.618 -25.429 7.159 1103 HA LYS 133 HA LYS 133 10.572 -24.867 10.048 1104 HB2 LYS 133 HB2 LYS 133 8.407 -24.417 8.771 1105 HB3 LYS 133 HB3 LYS 133 8.342 -26.144 8.454 1106 HG2 LYS 133 HG2 LYS 133 8.174 -26.616 10.813 1107 HG3 LYS 133 HG3 LYS 133 8.358 -24.904 11.199 1108 HD2 LYS 133 HD2 LYS 133 6.271 -24.401 10.065 1109 HD3 LYS 133 HD3 LYS 133 6.106 -26.090 9.582 1110 HE2 LYS 133 HE2 LYS 133 6.001 -26.740 11.948 1111 HE3 LYS 133 HE3 LYS 133 6.122 -25.043 12.409 1112 HZ1 LYS 133 HZ1 LYS 133 3.940 -26.183 10.753 1113 HZ2 LYS 133 HZ2 LYS 133 4.030 -24.604 11.349 1114 HZ3 LYS 133 HZ3 LYS 133 3.830 -25.900 12.415 1115 H ARG 134 H ARG 134 10.141 -26.914 11.336 1116 HA ARG 134 HA ARG 134 11.654 -29.099 10.264 1117 HB2 ARG 134 HB2 ARG 134 10.334 -28.528 12.876 1118 HB3 ARG 134 HB3 ARG 134 10.697 -30.203 12.478 1119 HG2 ARG 134 HG2 ARG 134 12.475 -29.111 13.798 1120 HG3 ARG 134 HG3 ARG 134 13.037 -29.692 12.232 1121 HD2 ARG 134 HD2 ARG 134 12.458 -27.254 11.468 1122 HD3 ARG 134 HD3 ARG 134 12.615 -26.897 13.186 1123 HE ARG 134 HE ARG 134 14.894 -27.484 13.083 1124 HH11 ARG 134 HH11 ARG 134 13.313 -27.672 9.956 1125 HH12 ARG 134 HH12 ARG 134 14.801 -27.647 9.065 1126 HH21 ARG 134 HH21 ARG 134 16.849 -27.454 11.898 1127 HH22 ARG 134 HH22 ARG 134 16.803 -27.545 10.166 1128 H GLN 135 H GLN 135 10.658 -29.832 8.521 1129 HA GLN 135 HA GLN 135 7.882 -30.283 8.250 1130 HB2 GLN 135 HB2 GLN 135 10.113 -31.569 6.665 1131 HB3 GLN 135 HB3 GLN 135 8.453 -31.314 6.142 1132 HG2 GLN 135 HG2 GLN 135 10.399 -29.106 6.764 1133 HG3 GLN 135 HG3 GLN 135 10.095 -29.743 5.148 1134 HE21 GLN 135 HE21 GLN 135 8.224 -29.206 4.094 1135 HE22 GLN 135 HE22 GLN 135 7.147 -27.969 4.647 1136 H LYS 136 H LYS 136 6.998 -32.477 7.651 1137 HA LYS 136 HA LYS 136 7.402 -34.377 9.725 1138 HB2 LYS 136 HB2 LYS 136 5.845 -35.788 8.460 1139 HB3 LYS 136 HB3 LYS 136 5.246 -34.144 8.585 1140 HG2 LYS 136 HG2 LYS 136 5.954 -33.694 6.298 1141 HG3 LYS 136 HG3 LYS 136 6.605 -35.328 6.171 1142 HD2 LYS 136 HD2 LYS 136 4.365 -36.243 6.540 1143 HD3 LYS 136 HD3 LYS 136 3.720 -34.605 6.658 1144 HE2 LYS 136 HE2 LYS 136 4.409 -34.162 4.354 1145 HE3 LYS 136 HE3 LYS 136 5.077 -35.790 4.238 1146 HZ1 LYS 136 HZ1 LYS 136 2.890 -35.671 3.240 1147 HZ2 LYS 136 HZ2 LYS 136 2.222 -35.118 4.688 1148 HZ3 LYS 136 HZ3 LYS 136 2.858 -36.683 4.595 1149 H LYS 137 H LYS 137 7.549 -36.874 8.650 1150 HA LYS 137 HA LYS 137 10.310 -37.034 7.909 1151 HB2 LYS 137 HB2 LYS 137 9.923 -39.470 7.821 1152 HB3 LYS 137 HB3 LYS 137 9.295 -38.768 9.303 1153 HG2 LYS 137 HG2 LYS 137 7.296 -39.651 8.888 1154 HG3 LYS 137 HG3 LYS 137 7.210 -38.757 7.364 1155 HD2 LYS 137 HD2 LYS 137 8.964 -40.917 6.924 1156 HD3 LYS 137 HD3 LYS 137 7.576 -41.572 7.792 1157 HE2 LYS 137 HE2 LYS 137 7.295 -39.772 5.385 1158 HE3 LYS 137 HE3 LYS 137 7.421 -41.535 5.254 1159 HZ1 LYS 137 HZ1 LYS 137 5.128 -40.893 5.253 1160 HZ2 LYS 137 HZ2 LYS 137 5.311 -40.018 6.686 1161 HZ3 LYS 137 HZ3 LYS 137 5.454 -41.701 6.701 1162 H LEU 138 H LEU 138 10.201 -35.740 5.934 1163 HA LEU 138 HA LEU 138 9.773 -37.532 3.693 1164 HB2 LEU 138 HB2 LEU 138 7.721 -36.056 4.183 1165 HB3 LEU 138 HB3 LEU 138 8.682 -34.742 3.505 1166 HG LEU 138 HG LEU 138 8.876 -36.056 1.392 1167 HD11 LEU 138 HD11 LEU 138 7.206 -37.942 1.155 1168 HD12 LEU 138 HD12 LEU 138 7.081 -37.932 2.920 1169 HD13 LEU 138 HD13 LEU 138 8.625 -38.288 2.143 1170 HD21 LEU 138 HD21 LEU 138 6.073 -35.508 2.361 1171 HD22 LEU 138 HD22 LEU 138 6.557 -35.697 0.675 1172 HD23 LEU 138 HD23 LEU 138 7.170 -34.339 1.621 1173 H ALA 139 H ALA 139 10.764 -36.609 1.664 1174 HA ALA 139 HA ALA 139 13.341 -35.572 2.110 1175 HB1 ALA 139 HB1 ALA 139 12.657 -36.864 0.096 1176 HB2 ALA 139 HB2 ALA 139 13.501 -35.365 -0.285 1177 HB3 ALA 139 HB3 ALA 139 11.748 -35.455 -0.453 1178 H SER 140 H SER 140 14.146 -33.501 2.003 1179 HA SER 140 HA SER 140 12.601 -31.318 2.708 1180 HB2 SER 140 HB2 SER 140 15.172 -31.216 1.110 1181 HB3 SER 140 HB3 SER 140 14.540 -29.967 2.183 1182 HG SER 140 HG SER 140 15.997 -31.041 3.401 1183 H SER 141 H SER 141 11.358 -29.872 1.597 1184 HA SER 141 HA SER 141 11.343 -29.818 -1.281 1185 HB2 SER 141 HB2 SER 141 10.153 -31.930 -0.881 1186 HB3 SER 141 HB3 SER 141 9.053 -31.114 0.227 1187 HG SER 141 HG SER 141 8.596 -29.716 -1.702 Start of MODEL 13 1 H1 ASP 1 HT1 ASP 1 -33.897 12.703 -9.714 2 H2 ASP 1 HT2 ASP 1 -33.305 13.294 -8.244 3 H3 ASP 1 HT3 ASP 1 -34.314 11.940 -8.263 4 HA ASP 1 HA ASP 1 -32.663 10.661 -9.421 5 HB2 ASP 1 HB2 ASP 1 -31.105 13.242 -9.273 6 HB3 ASP 1 HB3 ASP 1 -30.353 11.683 -9.603 7 HA PRO 2 HA PRO 2 -31.632 9.875 -5.120 8 HB2 PRO 2 HB2 PRO 2 -30.747 7.258 -6.041 9 HB3 PRO 2 HB3 PRO 2 -32.114 7.661 -5.003 10 HG2 PRO 2 HG2 PRO 2 -32.406 6.713 -7.527 11 HG3 PRO 2 HG3 PRO 2 -33.577 7.801 -6.759 12 HD2 PRO 2 HD2 PRO 2 -31.424 8.426 -8.748 13 HD3 PRO 2 HD3 PRO 2 -33.090 9.041 -8.651 14 H SER 3 H SER 3 -29.614 9.607 -7.910 15 HA SER 3 HA SER 3 -27.240 8.806 -6.483 16 HB2 SER 3 HB2 SER 3 -26.233 9.064 -8.816 17 HB3 SER 3 HB3 SER 3 -27.507 7.859 -8.632 18 HG SER 3 HG SER 3 -27.538 10.299 -9.985 19 H ARG 4 H ARG 4 -28.145 11.242 -5.477 20 HA ARG 4 HA ARG 4 -26.263 13.207 -6.576 21 HB2 ARG 4 HB2 ARG 4 -28.522 13.524 -4.592 22 HB3 ARG 4 HB3 ARG 4 -27.421 14.817 -5.039 23 HG2 ARG 4 HG2 ARG 4 -28.154 14.484 -7.418 24 HG3 ARG 4 HG3 ARG 4 -29.401 13.403 -6.801 25 HD2 ARG 4 HD2 ARG 4 -29.053 16.295 -6.035 26 HD3 ARG 4 HD3 ARG 4 -30.242 15.679 -7.177 27 HE ARG 4 HE ARG 4 -30.570 14.322 -4.754 28 HH11 ARG 4 HH11 ARG 4 -30.912 17.561 -6.031 29 HH12 ARG 4 HH12 ARG 4 -32.216 17.981 -4.971 30 HH21 ARG 4 HH21 ARG 4 -32.290 14.875 -3.349 31 HH22 ARG 4 HH22 ARG 4 -32.997 16.455 -3.446 32 H ARG 5 H ARG 5 -25.796 14.703 -4.272 33 HA ARG 5 HA ARG 5 -23.504 13.744 -3.235 34 HB2 ARG 5 HB2 ARG 5 -24.208 15.993 -2.789 35 HB3 ARG 5 HB3 ARG 5 -25.586 15.436 -1.853 36 HG2 ARG 5 HG2 ARG 5 -23.805 16.300 -0.426 37 HG3 ARG 5 HG3 ARG 5 -24.106 14.588 -0.127 38 HD2 ARG 5 HD2 ARG 5 -21.708 15.106 -0.174 39 HD3 ARG 5 HD3 ARG 5 -22.167 13.985 -1.454 40 HE ARG 5 HE ARG 5 -22.199 16.703 -2.333 41 HH11 ARG 5 HH11 ARG 5 -20.061 13.996 -1.679 42 HH12 ARG 5 HH12 ARG 5 -18.873 14.503 -2.838 43 HH21 ARG 5 HH21 ARG 5 -20.647 17.368 -3.838 44 HH22 ARG 5 HH22 ARG 5 -19.197 16.437 -4.052 45 H ALA 6 H ALA 6 -23.122 11.797 -2.466 46 HA ALA 6 HA ALA 6 -24.959 10.206 -1.042 47 HB1 ALA 6 HB1 ALA 6 -23.164 9.186 -2.303 48 HB2 ALA 6 HB2 ALA 6 -23.029 8.730 -0.601 49 HB3 ALA 6 HB3 ALA 6 -21.960 9.964 -1.274 50 HA PRO 7 HA PRO 7 -24.867 11.850 3.055 51 HB2 PRO 7 HB2 PRO 7 -25.028 9.316 4.269 52 HB3 PRO 7 HB3 PRO 7 -26.372 10.390 3.886 53 HG2 PRO 7 HG2 PRO 7 -25.341 8.028 2.418 54 HG3 PRO 7 HG3 PRO 7 -26.993 8.665 2.513 55 HD2 PRO 7 HD2 PRO 7 -25.486 8.960 0.318 56 HD3 PRO 7 HD3 PRO 7 -26.624 10.218 0.843 57 H THR 8 H THR 8 -23.397 12.210 4.616 58 HA THR 8 HA THR 8 -20.773 11.187 4.513 59 HB THR 8 HB THR 8 -22.177 12.455 6.877 60 HG1 THR 8 HG1 THR 8 -21.067 13.519 4.513 61 HG21 THR 8 HG21 THR 8 -20.027 11.427 7.433 62 HG22 THR 8 HG22 THR 8 -19.927 13.186 7.518 63 HG23 THR 8 HG23 THR 8 -19.251 12.331 6.131 64 H TRP 9 H TRP 9 -19.904 9.380 5.393 65 HA TRP 9 HA TRP 9 -21.496 7.230 6.085 66 HB2 TRP 9 HB2 TRP 9 -18.575 7.764 6.579 67 HB3 TRP 9 HB3 TRP 9 -19.340 6.242 7.025 68 HD1 TRP 9 HD1 TRP 9 -18.167 8.226 4.003 69 HE1 TRP 9 HE1 TRP 9 -18.283 6.718 1.923 70 HE3 TRP 9 HE3 TRP 9 -20.604 4.225 6.039 71 HZ2 TRP 9 HZ2 TRP 9 -19.272 4.162 1.241 72 HZ3 TRP 9 HZ3 TRP 9 -21.098 2.286 4.605 73 HH2 TRP 9 HH2 TRP 9 -20.445 2.259 2.254 74 H SER 10 H SER 10 -22.630 6.776 7.770 75 HA SER 10 HA SER 10 -22.205 8.242 10.258 76 HB2 SER 10 HB2 SER 10 -24.521 6.458 9.476 77 HB3 SER 10 HB3 SER 10 -24.490 7.688 10.742 78 HG SER 10 HG SER 10 -23.782 8.745 8.352 79 HA PRO 11 HA PRO 11 -20.521 5.120 12.837 80 HB2 PRO 11 HB2 PRO 11 -23.182 4.890 14.188 81 HB3 PRO 11 HB3 PRO 11 -21.568 5.014 14.902 82 HG2 PRO 11 HG2 PRO 11 -23.150 7.142 14.798 83 HG3 PRO 11 HG3 PRO 11 -21.415 7.293 14.479 84 HD2 PRO 11 HD2 PRO 11 -23.699 7.397 12.585 85 HD3 PRO 11 HD3 PRO 11 -22.117 8.195 12.495 86 H GLU 12 H GLU 12 -23.936 4.180 12.324 87 HA GLU 12 HA GLU 12 -23.360 1.398 12.427 88 HB2 GLU 12 HB2 GLU 12 -25.560 2.401 13.011 89 HB3 GLU 12 HB3 GLU 12 -25.806 2.792 11.319 90 HG2 GLU 12 HG2 GLU 12 -27.037 0.811 11.908 91 HG3 GLU 12 HG3 GLU 12 -25.761 0.415 10.761 92 H GLU 13 H GLU 13 -23.451 3.760 9.908 93 HA GLU 13 HA GLU 13 -23.823 1.968 7.724 94 HB2 GLU 13 HB2 GLU 13 -24.287 4.495 7.853 95 HB3 GLU 13 HB3 GLU 13 -22.568 4.700 7.562 96 HG2 GLU 13 HG2 GLU 13 -22.706 3.898 5.398 97 HG3 GLU 13 HG3 GLU 13 -24.217 3.036 5.707 98 H GLU 14 H GLU 14 -20.999 3.552 9.189 99 HA GLU 14 HA GLU 14 -19.067 2.405 7.459 100 HB2 GLU 14 HB2 GLU 14 -18.774 3.337 10.323 101 HB3 GLU 14 HB3 GLU 14 -17.440 2.960 9.241 102 HG2 GLU 14 HG2 GLU 14 -18.208 4.760 7.735 103 HG3 GLU 14 HG3 GLU 14 -19.451 5.173 8.917 104 H ALA 15 H ALA 15 -20.570 1.326 10.459 105 HA ALA 15 HA ALA 15 -18.912 -0.948 10.838 106 HB1 ALA 15 HB1 ALA 15 -20.233 0.020 12.653 107 HB2 ALA 15 HB2 ALA 15 -20.606 -1.688 12.421 108 HB3 ALA 15 HB3 ALA 15 -21.718 -0.455 11.827 109 H HIS 16 H HIS 16 -22.072 -0.492 9.338 110 HA HIS 16 HA HIS 16 -22.560 -3.092 8.503 111 HB2 HIS 16 HB2 HIS 16 -24.148 -1.103 8.446 112 HB3 HIS 16 HB3 HIS 16 -23.337 -0.605 6.971 113 HD1 HIS 16 HD1 HIS 16 -26.122 -1.005 6.456 114 HD2 HIS 16 HD2 HIS 16 -23.560 -4.272 6.585 115 HE1 HIS 16 HE1 HIS 16 -27.295 -2.846 5.210 116 HE2 HIS 16 HE2 HIS 16 -25.812 -4.856 5.474 117 H LEU 17 H LEU 17 -20.497 -0.600 7.199 118 HA LEU 17 HA LEU 17 -20.030 -1.702 4.657 119 HB2 LEU 17 HB2 LEU 17 -19.392 0.605 5.508 120 HB3 LEU 17 HB3 LEU 17 -18.023 -0.162 6.291 121 HG LEU 17 HG LEU 17 -17.190 -0.907 4.101 122 HD11 LEU 17 HD11 LEU 17 -19.614 0.557 3.092 123 HD12 LEU 17 HD12 LEU 17 -19.194 -1.138 2.846 124 HD13 LEU 17 HD13 LEU 17 -18.239 0.130 2.079 125 HD21 LEU 17 HD21 LEU 17 -16.418 1.206 5.023 126 HD22 LEU 17 HD22 LEU 17 -17.772 2.044 4.262 127 HD23 LEU 17 HD23 LEU 17 -16.530 1.287 3.265 128 H ARG 18 H ARG 18 -18.170 -2.021 7.693 129 HA ARG 18 HA ARG 18 -16.466 -4.050 6.653 130 HB2 ARG 18 HB2 ARG 18 -15.676 -4.348 8.912 131 HB3 ARG 18 HB3 ARG 18 -15.881 -2.625 8.635 132 HG2 ARG 18 HG2 ARG 18 -17.995 -2.674 9.838 133 HG3 ARG 18 HG3 ARG 18 -17.809 -4.407 10.098 134 HD2 ARG 18 HD2 ARG 18 -15.749 -3.972 11.373 135 HD3 ARG 18 HD3 ARG 18 -15.995 -2.240 11.146 136 HE ARG 18 HE ARG 18 -18.250 -3.577 12.332 137 HH11 ARG 18 HH11 ARG 18 -15.159 -2.073 13.013 138 HH12 ARG 18 HH12 ARG 18 -15.581 -1.649 14.641 139 HH21 ARG 18 HH21 ARG 18 -18.809 -3.013 14.478 140 HH22 ARG 18 HH22 ARG 18 -17.655 -2.181 15.474 141 H GLU 19 H GLU 19 -19.524 -3.945 8.342 142 HA GLU 19 HA GLU 19 -19.878 -6.478 9.249 143 HB2 GLU 19 HB2 GLU 19 -21.494 -4.655 9.537 144 HB3 GLU 19 HB3 GLU 19 -21.948 -4.804 7.847 145 HG2 GLU 19 HG2 GLU 19 -23.565 -5.875 9.314 146 HG3 GLU 19 HG3 GLU 19 -22.788 -7.036 8.240 147 H LEU 20 H LEU 20 -20.628 -5.268 6.038 148 HA LEU 20 HA LEU 20 -21.514 -7.734 4.971 149 HB2 LEU 20 HB2 LEU 20 -21.320 -5.006 4.185 150 HB3 LEU 20 HB3 LEU 20 -20.617 -5.989 2.919 151 HG LEU 20 HG LEU 20 -23.312 -6.673 4.029 152 HD11 LEU 20 HD11 LEU 20 -22.760 -4.714 1.803 153 HD12 LEU 20 HD12 LEU 20 -23.370 -4.296 3.402 154 HD13 LEU 20 HD13 LEU 20 -24.342 -5.293 2.322 155 HD21 LEU 20 HD21 LEU 20 -21.966 -7.080 1.361 156 HD22 LEU 20 HD22 LEU 20 -23.587 -7.628 1.790 157 HD23 LEU 20 HD23 LEU 20 -22.180 -8.298 2.618 158 H TYR 21 H TYR 21 -18.403 -6.089 5.022 159 HA TYR 21 HA TYR 21 -17.133 -7.745 3.092 160 HB2 TYR 21 HB2 TYR 21 -16.185 -5.569 3.647 161 HB3 TYR 21 HB3 TYR 21 -15.975 -6.056 5.325 162 HD1 TYR 21 HD1 TYR 21 -14.804 -6.715 1.868 163 HD2 TYR 21 HD2 TYR 21 -14.049 -7.217 6.020 164 HE1 TYR 21 HE1 TYR 21 -12.550 -7.552 1.351 165 HE2 TYR 21 HE2 TYR 21 -11.796 -8.059 5.519 166 HH TYR 21 HH TYR 21 -10.344 -7.730 2.497 167 H LEU 22 H LEU 22 -17.104 -7.667 6.618 168 HA LEU 22 HA LEU 22 -15.344 -9.789 7.043 169 HB2 LEU 22 HB2 LEU 22 -17.631 -8.958 8.825 170 HB3 LEU 22 HB3 LEU 22 -16.176 -9.799 9.308 171 HG LEU 22 HG LEU 22 -16.242 -6.982 8.236 172 HD11 LEU 22 HD11 LEU 22 -17.340 -7.096 10.393 173 HD12 LEU 22 HD12 LEU 22 -15.782 -6.286 10.528 174 HD13 LEU 22 HD13 LEU 22 -15.958 -7.954 11.072 175 HD21 LEU 22 HD21 LEU 22 -14.004 -8.529 9.530 176 HD22 LEU 22 HD22 LEU 22 -13.945 -6.850 8.986 177 HD23 LEU 22 HD23 LEU 22 -14.138 -8.152 7.814 178 H ALA 23 H ALA 23 -18.704 -9.793 6.182 179 HA ALA 23 HA ALA 23 -19.137 -12.531 7.000 180 HB1 ALA 23 HB1 ALA 23 -20.899 -10.716 5.358 181 HB2 ALA 23 HB2 ALA 23 -20.953 -10.885 7.113 182 HB3 ALA 23 HB3 ALA 23 -21.369 -12.255 6.082 183 H ASN 24 H ASN 24 -19.055 -10.825 3.846 184 HA ASN 24 HA ASN 24 -19.283 -13.379 2.488 185 HB2 ASN 24 HB2 ASN 24 -19.227 -10.556 1.415 186 HB3 ASN 24 HB3 ASN 24 -19.503 -11.998 0.448 187 HD21 ASN 24 HD21 ASN 24 -20.827 -9.846 2.837 188 HD22 ASN 24 HD22 ASN 24 -22.462 -10.400 2.713 189 H LYS 25 H LYS 25 -16.706 -11.965 3.772 190 HA LYS 25 HA LYS 25 -14.897 -11.749 1.591 191 HB2 LYS 25 HB2 LYS 25 -13.128 -11.716 3.303 192 HB3 LYS 25 HB3 LYS 25 -14.436 -10.603 3.679 193 HG2 LYS 25 HG2 LYS 25 -15.315 -12.107 5.335 194 HG3 LYS 25 HG3 LYS 25 -14.145 -13.350 4.879 195 HD2 LYS 25 HD2 LYS 25 -12.320 -11.857 5.583 196 HD3 LYS 25 HD3 LYS 25 -13.509 -10.652 6.078 197 HE2 LYS 25 HE2 LYS 25 -12.704 -11.943 7.988 198 HE3 LYS 25 HE3 LYS 25 -14.425 -12.211 7.714 199 HZ1 LYS 25 HZ1 LYS 25 -13.940 -14.312 6.677 200 HZ2 LYS 25 HZ2 LYS 25 -13.185 -14.265 8.193 201 HZ3 LYS 25 HZ3 LYS 25 -12.272 -14.035 6.791 202 H ASP 26 H ASP 26 -16.165 -14.450 3.239 203 HA ASP 26 HA ASP 26 -13.856 -16.128 2.615 204 HB2 ASP 26 HB2 ASP 26 -16.338 -16.635 4.256 205 HB3 ASP 26 HB3 ASP 26 -15.160 -17.891 3.883 206 H VAL 27 H VAL 27 -16.332 -15.063 0.909 207 HA VAL 27 HA VAL 27 -17.185 -17.581 -0.254 208 HB VAL 27 HB VAL 27 -17.911 -14.777 -1.119 209 HG11 VAL 27 HG11 VAL 27 -19.231 -17.434 -1.682 210 HG12 VAL 27 HG12 VAL 27 -18.274 -16.492 -2.827 211 HG13 VAL 27 HG13 VAL 27 -19.804 -15.855 -2.224 212 HG21 VAL 27 HG21 VAL 27 -19.997 -15.106 0.131 213 HG22 VAL 27 HG22 VAL 27 -18.590 -15.141 1.193 214 HG23 VAL 27 HG23 VAL 27 -19.386 -16.646 0.735 215 H GLU 28 H GLU 28 -16.121 -18.489 -1.871 216 HA GLU 28 HA GLU 28 -13.929 -16.991 -3.064 217 HB2 GLU 28 HB2 GLU 28 -14.582 -19.935 -3.140 218 HB3 GLU 28 HB3 GLU 28 -13.131 -19.195 -3.805 219 HG2 GLU 28 HG2 GLU 28 -12.477 -18.453 -1.578 220 HG3 GLU 28 HG3 GLU 28 -13.936 -19.177 -0.901 221 H GLY 29 H GLY 29 -13.699 -16.546 -5.183 222 HA2 GLY 29 HA2 GLY 29 -14.136 -16.588 -7.475 223 HA3 GLY 29 HA3 GLY 29 -15.441 -17.730 -7.181 224 H GLN 30 H GLN 30 -15.554 -15.140 -5.095 225 HA GLN 30 HA GLN 30 -17.638 -13.850 -6.712 226 HB2 GLN 30 HB2 GLN 30 -18.851 -14.914 -5.043 227 HB3 GLN 30 HB3 GLN 30 -17.578 -14.725 -3.852 228 HG2 GLN 30 HG2 GLN 30 -18.890 -12.248 -4.793 229 HG3 GLN 30 HG3 GLN 30 -19.853 -13.340 -3.798 230 HE21 GLN 30 HE21 GLN 30 -19.891 -11.765 -2.137 231 HE22 GLN 30 HE22 GLN 30 -18.506 -11.480 -1.150 232 H ASP 31 H ASP 31 -17.804 -11.610 -6.592 233 HA ASP 31 HA ASP 31 -15.471 -10.172 -5.689 234 HB2 ASP 31 HB2 ASP 31 -18.086 -9.262 -6.892 235 HB3 ASP 31 HB3 ASP 31 -16.797 -8.155 -6.434 236 H VAL 32 H VAL 32 -15.303 -10.043 -3.508 237 HA VAL 32 HA VAL 32 -17.481 -9.886 -1.734 238 HB VAL 32 HB VAL 32 -15.090 -10.473 -1.107 239 HG11 VAL 32 HG11 VAL 32 -13.637 -8.615 -0.396 240 HG12 VAL 32 HG12 VAL 32 -14.785 -7.475 -1.103 241 HG13 VAL 32 HG13 VAL 32 -13.927 -8.618 -2.135 242 HG21 VAL 32 HG21 VAL 32 -16.794 -10.183 0.582 243 HG22 VAL 32 HG22 VAL 32 -16.550 -8.435 0.567 244 HG23 VAL 32 HG23 VAL 32 -15.268 -9.500 1.149 245 H VAL 33 H VAL 33 -15.662 -7.512 -3.492 246 HA VAL 33 HA VAL 33 -16.537 -5.147 -2.323 247 HB VAL 33 HB VAL 33 -16.282 -5.322 -5.288 248 HG11 VAL 33 HG11 VAL 33 -15.082 -3.226 -5.006 249 HG12 VAL 33 HG12 VAL 33 -15.220 -3.378 -3.254 250 HG13 VAL 33 HG13 VAL 33 -16.671 -3.170 -4.239 251 HG21 VAL 33 HG21 VAL 33 -14.049 -5.824 -3.350 252 HG22 VAL 33 HG22 VAL 33 -13.767 -5.216 -4.980 253 HG23 VAL 33 HG23 VAL 33 -14.534 -6.788 -4.745 254 H GLU 34 H GLU 34 -17.817 -6.829 -5.175 255 HA GLU 34 HA GLU 34 -20.007 -5.210 -5.684 256 HB2 GLU 34 HB2 GLU 34 -18.975 -7.206 -7.015 257 HB3 GLU 34 HB3 GLU 34 -20.112 -8.183 -6.100 258 HG2 GLU 34 HG2 GLU 34 -20.906 -5.853 -7.830 259 HG3 GLU 34 HG3 GLU 34 -20.880 -7.529 -8.372 260 H ALA 35 H ALA 35 -19.658 -7.978 -3.545 261 HA ALA 35 HA ALA 35 -22.330 -8.266 -2.752 262 HB1 ALA 35 HB1 ALA 35 -20.569 -9.886 -2.211 263 HB2 ALA 35 HB2 ALA 35 -21.452 -9.382 -0.771 264 HB3 ALA 35 HB3 ALA 35 -19.847 -8.725 -1.099 265 H ILE 36 H ILE 36 -19.710 -6.350 -1.314 266 HA ILE 36 HA ILE 36 -21.276 -5.259 0.766 267 HB ILE 36 HB ILE 36 -18.803 -4.053 -0.469 268 HG12 ILE 36 HG12 ILE 36 -18.950 -5.907 1.907 269 HG13 ILE 36 HG13 ILE 36 -18.639 -6.486 0.274 270 HG21 ILE 36 HG21 ILE 36 -18.513 -3.053 1.762 271 HG22 ILE 36 HG22 ILE 36 -20.048 -3.760 2.266 272 HG23 ILE 36 HG23 ILE 36 -20.015 -2.534 0.999 273 HD11 ILE 36 HD11 ILE 36 -16.586 -6.247 1.481 274 HD12 ILE 36 HD12 ILE 36 -16.959 -4.567 1.856 275 HD13 ILE 36 HD13 ILE 36 -16.649 -5.052 0.190 276 H LEU 37 H LEU 37 -20.152 -3.831 -2.307 277 HA LEU 37 HA LEU 37 -21.207 -1.288 -2.058 278 HB2 LEU 37 HB2 LEU 37 -21.361 -2.754 -4.668 279 HB3 LEU 37 HB3 LEU 37 -21.082 -1.058 -4.403 280 HG LEU 37 HG LEU 37 -19.059 -3.140 -3.610 281 HD11 LEU 37 HD11 LEU 37 -17.930 -2.595 -5.743 282 HD12 LEU 37 HD12 LEU 37 -19.367 -1.693 -6.230 283 HD13 LEU 37 HD13 LEU 37 -19.467 -3.430 -5.972 284 HD21 LEU 37 HD21 LEU 37 -18.856 -0.904 -2.636 285 HD22 LEU 37 HD22 LEU 37 -18.839 -0.208 -4.256 286 HD23 LEU 37 HD23 LEU 37 -17.528 -1.269 -3.737 287 H ALA 38 H ALA 38 -22.837 -4.218 -3.117 288 HA ALA 38 HA ALA 38 -25.185 -2.745 -3.973 289 HB1 ALA 38 HB1 ALA 38 -24.257 -4.554 -5.340 290 HB2 ALA 38 HB2 ALA 38 -25.942 -4.830 -4.896 291 HB3 ALA 38 HB3 ALA 38 -24.654 -5.699 -4.060 292 H HIS 39 H HIS 39 -24.299 -4.913 -1.324 293 HA HIS 39 HA HIS 39 -27.060 -5.435 -0.682 294 HB2 HIS 39 HB2 HIS 39 -24.466 -6.226 0.580 295 HB3 HIS 39 HB3 HIS 39 -25.979 -6.455 1.450 296 HD1 HIS 39 HD1 HIS 39 -27.366 -8.481 0.822 297 HD2 HIS 39 HD2 HIS 39 -24.246 -7.763 -1.827 298 HE1 HIS 39 HE1 HIS 39 -27.275 -10.492 -0.683 299 HE2 HIS 39 HE2 HIS 39 -25.260 -10.119 -2.134 300 H LEU 40 H LEU 40 -24.919 -2.893 0.053 301 HA LEU 40 HA LEU 40 -26.876 -2.038 2.066 302 HB2 LEU 40 HB2 LEU 40 -25.018 -0.278 2.633 303 HB3 LEU 40 HB3 LEU 40 -25.005 -1.877 3.336 304 HG LEU 40 HG LEU 40 -23.342 -2.516 1.523 305 HD11 LEU 40 HD11 LEU 40 -22.019 -0.654 0.587 306 HD12 LEU 40 HD12 LEU 40 -23.240 0.475 1.179 307 HD13 LEU 40 HD13 LEU 40 -23.664 -0.724 -0.047 308 HD21 LEU 40 HD21 LEU 40 -22.686 -2.173 3.819 309 HD22 LEU 40 HD22 LEU 40 -22.608 -0.430 3.565 310 HD23 LEU 40 HD23 LEU 40 -21.466 -1.492 2.741 311 H ASN 41 H ASN 41 -28.299 -1.415 0.416 312 HA ASN 41 HA ASN 41 -27.524 0.717 -1.377 313 HB2 ASN 41 HB2 ASN 41 -30.080 -0.790 -0.890 314 HB3 ASN 41 HB3 ASN 41 -30.060 0.656 -1.894 315 HD21 ASN 41 HD21 ASN 41 -30.566 -2.211 -2.500 316 HD22 ASN 41 HD22 ASN 41 -29.484 -2.590 -3.794 317 H THR 42 H THR 42 -27.155 1.311 1.294 318 HA THR 42 HA THR 42 -29.222 3.245 1.996 319 HB THR 42 HB THR 42 -28.396 1.870 3.827 320 HG1 THR 42 HG1 THR 42 -27.048 4.174 4.548 321 HG21 THR 42 HG21 THR 42 -26.191 1.315 2.912 322 HG22 THR 42 HG22 THR 42 -26.067 1.918 4.562 323 HG23 THR 42 HG23 THR 42 -25.654 2.966 3.207 324 H VAL 43 H VAL 43 -26.427 3.003 0.206 325 HA VAL 43 HA VAL 43 -26.033 5.904 0.215 326 HB VAL 43 HB VAL 43 -23.558 5.498 -0.041 327 HG11 VAL 43 HG11 VAL 43 -24.443 6.362 2.026 328 HG12 VAL 43 HG12 VAL 43 -23.155 5.209 2.374 329 HG13 VAL 43 HG13 VAL 43 -24.843 4.736 2.572 330 HG21 VAL 43 HG21 VAL 43 -23.629 3.123 -0.594 331 HG22 VAL 43 HG22 VAL 43 -24.272 2.762 1.007 332 HG23 VAL 43 HG23 VAL 43 -22.638 3.405 0.838 333 HA PRO 44 HA PRO 44 -25.945 5.039 -4.229 334 HB2 PRO 44 HB2 PRO 44 -25.804 7.907 -4.583 335 HB3 PRO 44 HB3 PRO 44 -27.127 6.816 -4.995 336 HG2 PRO 44 HG2 PRO 44 -27.252 8.695 -3.005 337 HG3 PRO 44 HG3 PRO 44 -28.226 7.215 -3.034 338 HD2 PRO 44 HD2 PRO 44 -25.747 7.826 -1.483 339 HD3 PRO 44 HD3 PRO 44 -27.183 6.899 -0.999 340 H ARG 45 H ARG 45 -23.800 4.211 -4.113 341 HA ARG 45 HA ARG 45 -21.705 6.214 -4.537 342 HB2 ARG 45 HB2 ARG 45 -21.655 3.996 -2.499 343 HB3 ARG 45 HB3 ARG 45 -20.198 4.816 -3.055 344 HG2 ARG 45 HG2 ARG 45 -21.116 6.950 -2.305 345 HG3 ARG 45 HG3 ARG 45 -22.562 6.128 -1.730 346 HD2 ARG 45 HD2 ARG 45 -21.550 5.424 0.147 347 HD3 ARG 45 HD3 ARG 45 -20.050 5.024 -0.694 348 HE ARG 45 HE ARG 45 -19.388 7.301 -0.517 349 HH11 ARG 45 HH11 ARG 45 -22.199 6.474 1.401 350 HH12 ARG 45 HH12 ARG 45 -22.171 7.951 2.310 351 HH21 ARG 45 HH21 ARG 45 -19.379 9.270 0.671 352 HH22 ARG 45 HH22 ARG 45 -20.578 9.522 1.904 353 H THR 46 H THR 46 -19.604 5.127 -5.153 354 HA THR 46 HA THR 46 -20.237 3.063 -7.144 355 HB THR 46 HB THR 46 -19.481 5.270 -8.042 356 HG1 THR 46 HG1 THR 46 -19.060 3.583 -9.398 357 HG21 THR 46 HG21 THR 46 -16.881 4.559 -6.676 358 HG22 THR 46 HG22 THR 46 -17.933 5.914 -6.273 359 HG23 THR 46 HG23 THR 46 -17.100 5.876 -7.829 360 H ARG 47 H ARG 47 -17.762 2.195 -7.790 361 HA ARG 47 HA ARG 47 -17.377 0.198 -5.844 362 HB2 ARG 47 HB2 ARG 47 -15.318 0.907 -7.923 363 HB3 ARG 47 HB3 ARG 47 -15.697 -0.673 -7.258 364 HG2 ARG 47 HG2 ARG 47 -17.291 0.931 -9.238 365 HG3 ARG 47 HG3 ARG 47 -16.521 -0.636 -9.473 366 HD2 ARG 47 HD2 ARG 47 -18.067 -1.570 -7.760 367 HD3 ARG 47 HD3 ARG 47 -18.901 -0.015 -7.727 368 HE ARG 47 HE ARG 47 -18.648 -1.303 -10.323 369 HH11 ARG 47 HH11 ARG 47 -20.675 -0.619 -7.545 370 HH12 ARG 47 HH12 ARG 47 -22.134 -1.111 -8.330 371 HH21 ARG 47 HH21 ARG 47 -20.568 -1.945 -11.362 372 HH22 ARG 47 HH22 ARG 47 -22.076 -1.862 -10.509 373 H LYS 48 H LYS 48 -15.418 2.976 -6.753 374 HA LYS 48 HA LYS 48 -13.170 2.529 -5.203 375 HB2 LYS 48 HB2 LYS 48 -13.367 4.209 -6.992 376 HB3 LYS 48 HB3 LYS 48 -14.427 5.166 -5.969 377 HG2 LYS 48 HG2 LYS 48 -12.508 5.275 -4.323 378 HG3 LYS 48 HG3 LYS 48 -11.499 4.622 -5.612 379 HD2 LYS 48 HD2 LYS 48 -11.289 7.006 -5.653 380 HD3 LYS 48 HD3 LYS 48 -12.245 6.522 -7.055 381 HE2 LYS 48 HE2 LYS 48 -14.305 7.064 -5.803 382 HE3 LYS 48 HE3 LYS 48 -13.311 7.604 -4.450 383 HZ1 LYS 48 HZ1 LYS 48 -12.361 9.311 -5.876 384 HZ2 LYS 48 HZ2 LYS 48 -14.043 9.457 -5.810 385 HZ3 LYS 48 HZ3 LYS 48 -13.310 8.787 -7.175 386 H GLN 49 H GLN 49 -16.202 4.075 -4.337 387 HA GLN 49 HA GLN 49 -15.455 5.384 -2.005 388 HB2 GLN 49 HB2 GLN 49 -17.967 4.463 -3.214 389 HB3 GLN 49 HB3 GLN 49 -18.024 4.639 -1.469 390 HG2 GLN 49 HG2 GLN 49 -18.789 6.658 -2.411 391 HG3 GLN 49 HG3 GLN 49 -17.191 6.966 -1.752 392 HE21 GLN 49 HE21 GLN 49 -18.728 8.376 -3.782 393 HE22 GLN 49 HE22 GLN 49 -17.722 8.429 -5.188 394 H ILE 50 H ILE 50 -17.130 2.255 -2.210 395 HA ILE 50 HA ILE 50 -17.026 1.714 0.533 396 HB ILE 50 HB ILE 50 -17.481 0.035 -1.892 397 HG12 ILE 50 HG12 ILE 50 -19.641 -0.391 -0.456 398 HG13 ILE 50 HG13 ILE 50 -19.113 1.046 0.407 399 HG21 ILE 50 HG21 ILE 50 -17.957 -1.920 -0.446 400 HG22 ILE 50 HG22 ILE 50 -17.220 -1.053 0.899 401 HG23 ILE 50 HG23 ILE 50 -16.252 -1.479 -0.510 402 HD11 ILE 50 HD11 ILE 50 -19.849 0.819 -2.504 403 HD12 ILE 50 HD12 ILE 50 -19.114 2.262 -1.779 404 HD13 ILE 50 HD13 ILE 50 -20.698 1.707 -1.233 405 H ILE 51 H ILE 51 -14.939 0.639 -2.110 406 HA ILE 51 HA ILE 51 -13.274 -1.123 -0.763 407 HB ILE 51 HB ILE 51 -12.593 0.776 -3.005 408 HG12 ILE 51 HG12 ILE 51 -13.192 -2.177 -3.130 409 HG13 ILE 51 HG13 ILE 51 -14.421 -0.934 -3.354 410 HG21 ILE 51 HG21 ILE 51 -10.682 -0.696 -3.476 411 HG22 ILE 51 HG22 ILE 51 -11.037 -1.615 -2.014 412 HG23 ILE 51 HG23 ILE 51 -10.543 0.076 -1.895 413 HD11 ILE 51 HD11 ILE 51 -13.261 -0.089 -5.286 414 HD12 ILE 51 HD12 ILE 51 -13.543 -1.822 -5.467 415 HD13 ILE 51 HD13 ILE 51 -11.944 -1.229 -5.021 416 H HIS 52 H HIS 52 -12.843 2.344 -1.275 417 HA HIS 52 HA HIS 52 -10.322 2.531 -0.137 418 HB2 HIS 52 HB2 HIS 52 -12.457 4.437 -0.854 419 HB3 HIS 52 HB3 HIS 52 -11.268 5.009 0.315 420 HD1 HIS 52 HD1 HIS 52 -9.724 6.445 -0.964 421 HD2 HIS 52 HD2 HIS 52 -10.570 2.917 -3.016 422 HE1 HIS 52 HE1 HIS 52 -8.242 6.463 -2.974 423 HE2 HIS 52 HE2 HIS 52 -8.760 4.330 -4.210 424 H HIS 53 H HIS 53 -13.499 2.860 1.443 425 HA HIS 53 HA HIS 53 -12.336 3.722 3.914 426 HB2 HIS 53 HB2 HIS 53 -15.077 2.534 3.484 427 HB3 HIS 53 HB3 HIS 53 -14.551 3.484 4.868 428 HD1 HIS 53 HD1 HIS 53 -13.296 5.894 3.620 429 HD2 HIS 53 HD2 HIS 53 -16.757 4.129 2.140 430 HE1 HIS 53 HE1 HIS 53 -14.348 7.624 2.126 431 HE2 HIS 53 HE2 HIS 53 -16.379 6.505 1.169 432 H LEU 54 H LEU 54 -12.851 0.669 2.451 433 HA LEU 54 HA LEU 54 -12.833 -0.879 4.862 434 HB2 LEU 54 HB2 LEU 54 -12.437 -1.596 1.964 435 HB3 LEU 54 HB3 LEU 54 -12.335 -2.780 3.250 436 HG LEU 54 HG LEU 54 -14.790 -1.109 2.721 437 HD11 LEU 54 HD11 LEU 54 -14.258 -2.536 0.796 438 HD12 LEU 54 HD12 LEU 54 -15.720 -3.064 1.628 439 HD13 LEU 54 HD13 LEU 54 -14.208 -3.941 1.861 440 HD21 LEU 54 HD21 LEU 54 -15.913 -2.737 4.134 441 HD22 LEU 54 HD22 LEU 54 -14.561 -2.021 5.012 442 HD23 LEU 54 HD23 LEU 54 -14.414 -3.642 4.334 443 H VAL 55 H VAL 55 -10.477 -0.140 2.324 444 HA VAL 55 HA VAL 55 -8.339 -1.499 3.652 445 HB VAL 55 HB VAL 55 -6.907 -0.677 1.925 446 HG11 VAL 55 HG11 VAL 55 -8.158 -1.329 -0.102 447 HG12 VAL 55 HG12 VAL 55 -9.657 -1.256 0.827 448 HG13 VAL 55 HG13 VAL 55 -8.415 -2.436 1.247 449 HG21 VAL 55 HG21 VAL 55 -7.622 1.005 0.282 450 HG22 VAL 55 HG22 VAL 55 -7.560 1.668 1.915 451 HG23 VAL 55 HG23 VAL 55 -9.113 1.251 1.191 452 H GLN 56 H GLN 56 -9.675 1.677 3.717 453 HA GLN 56 HA GLN 56 -7.453 2.895 5.055 454 HB2 GLN 56 HB2 GLN 56 -10.240 3.740 4.360 455 HB3 GLN 56 HB3 GLN 56 -9.291 4.699 5.473 456 HG2 GLN 56 HG2 GLN 56 -7.586 5.025 3.767 457 HG3 GLN 56 HG3 GLN 56 -8.491 4.002 2.649 458 HE21 GLN 56 HE21 GLN 56 -8.755 5.579 1.133 459 HE22 GLN 56 HE22 GLN 56 -9.772 6.960 1.374 460 H MET 57 H MET 57 -10.279 1.127 5.994 461 HA MET 57 HA MET 57 -10.287 2.089 8.706 462 HB2 MET 57 HB2 MET 57 -12.257 1.100 7.306 463 HB3 MET 57 HB3 MET 57 -11.625 -0.449 7.842 464 HG2 MET 57 HG2 MET 57 -11.879 0.274 10.175 465 HG3 MET 57 HG3 MET 57 -12.562 1.797 9.613 466 HE1 MET 57 HE1 MET 57 -14.208 0.410 6.992 467 HE2 MET 57 HE2 MET 57 -14.737 1.806 7.933 468 HE3 MET 57 HE3 MET 57 -15.806 0.417 7.737 469 H GLY 58 H GLY 58 -8.397 -0.052 6.989 470 HA2 GLY 58 HA2 GLY 58 -6.495 -1.124 7.814 471 HA3 GLY 58 HA3 GLY 58 -7.121 -0.925 9.444 472 H LEU 59 H LEU 59 -9.612 -2.128 7.698 473 HA LEU 59 HA LEU 59 -9.147 -4.793 8.752 474 HB2 LEU 59 HB2 LEU 59 -11.487 -5.234 8.104 475 HB3 LEU 59 HB3 LEU 59 -11.310 -3.870 9.188 476 HG LEU 59 HG LEU 59 -11.387 -2.453 6.997 477 HD11 LEU 59 HD11 LEU 59 -12.695 -3.413 5.227 478 HD12 LEU 59 HD12 LEU 59 -12.825 -4.940 6.101 479 HD13 LEU 59 HD13 LEU 59 -11.259 -4.402 5.492 480 HD21 LEU 59 HD21 LEU 59 -13.054 -2.364 8.752 481 HD22 LEU 59 HD22 LEU 59 -13.811 -3.831 8.134 482 HD23 LEU 59 HD23 LEU 59 -13.829 -2.354 7.170 483 H ALA 60 H ALA 60 -8.972 -3.105 5.808 484 HA ALA 60 HA ALA 60 -8.350 -5.635 4.423 485 HB1 ALA 60 HB1 ALA 60 -8.949 -4.500 2.311 486 HB2 ALA 60 HB2 ALA 60 -9.491 -3.104 3.241 487 HB3 ALA 60 HB3 ALA 60 -10.317 -4.652 3.414 488 H ASP 61 H ASP 61 -6.775 -5.181 2.530 489 HA ASP 61 HA ASP 61 -4.551 -3.754 3.733 490 HB2 ASP 61 HB2 ASP 61 -4.184 -6.021 2.829 491 HB3 ASP 61 HB3 ASP 61 -4.587 -5.426 1.218 492 H SER 62 H SER 62 -5.846 -3.875 0.387 493 HA SER 62 HA SER 62 -5.661 -1.015 0.166 494 HB2 SER 62 HB2 SER 62 -3.274 -1.820 -0.047 495 HB3 SER 62 HB3 SER 62 -3.779 -2.658 -1.516 496 HG SER 62 HG SER 62 -3.398 0.050 -1.045 497 H VAL 63 H VAL 63 -5.892 -0.374 -2.211 498 HA VAL 63 HA VAL 63 -8.313 -1.394 -3.230 499 HB VAL 63 HB VAL 63 -6.201 0.363 -4.496 500 HG11 VAL 63 HG11 VAL 63 -9.004 -0.192 -5.462 501 HG12 VAL 63 HG12 VAL 63 -7.507 -0.694 -6.252 502 HG13 VAL 63 HG13 VAL 63 -7.908 1.020 -6.127 503 HG21 VAL 63 HG21 VAL 63 -8.840 1.031 -3.198 504 HG22 VAL 63 HG22 VAL 63 -7.751 2.184 -3.974 505 HG23 VAL 63 HG23 VAL 63 -7.238 1.326 -2.522 506 H LYS 64 H LYS 64 -5.026 -2.235 -3.691 507 HA LYS 64 HA LYS 64 -5.085 -3.415 -6.222 508 HB2 LYS 64 HB2 LYS 64 -3.404 -4.137 -3.829 509 HB3 LYS 64 HB3 LYS 64 -3.064 -4.599 -5.487 510 HG2 LYS 64 HG2 LYS 64 -2.861 -2.211 -6.077 511 HG3 LYS 64 HG3 LYS 64 -3.108 -1.802 -4.379 512 HD2 LYS 64 HD2 LYS 64 -0.860 -3.497 -5.470 513 HD3 LYS 64 HD3 LYS 64 -0.728 -1.806 -4.988 514 HE2 LYS 64 HE2 LYS 64 -1.314 -2.401 -2.696 515 HE3 LYS 64 HE3 LYS 64 -1.502 -4.087 -3.172 516 HZ1 LYS 64 HZ1 LYS 64 0.632 -3.734 -2.142 517 HZ2 LYS 64 HZ2 LYS 64 1.016 -2.525 -3.258 518 HZ3 LYS 64 HZ3 LYS 64 0.849 -4.125 -3.774 519 H ASP 65 H ASP 65 -6.268 -4.530 -3.183 520 HA ASP 65 HA ASP 65 -6.402 -7.304 -4.034 521 HB2 ASP 65 HB2 ASP 65 -5.772 -6.657 -1.709 522 HB3 ASP 65 HB3 ASP 65 -7.391 -6.012 -1.483 523 H PHE 66 H PHE 66 -8.226 -4.570 -4.465 524 HA PHE 66 HA PHE 66 -10.780 -6.044 -4.520 525 HB2 PHE 66 HB2 PHE 66 -10.215 -3.107 -4.105 526 HB3 PHE 66 HB3 PHE 66 -11.823 -3.745 -4.412 527 HD1 PHE 66 HD1 PHE 66 -8.948 -4.220 -2.087 528 HD2 PHE 66 HD2 PHE 66 -13.165 -4.252 -2.625 529 HE1 PHE 66 HE1 PHE 66 -9.248 -4.575 0.323 530 HE2 PHE 66 HE2 PHE 66 -13.476 -4.619 -0.215 531 HZ PHE 66 HZ PHE 66 -11.517 -4.772 1.271 532 H GLN 67 H GLN 67 -8.848 -3.610 -6.242 533 HA GLN 67 HA GLN 67 -10.614 -3.961 -8.562 534 HB2 GLN 67 HB2 GLN 67 -9.112 -1.533 -7.611 535 HB3 GLN 67 HB3 GLN 67 -9.827 -1.644 -9.221 536 HG2 GLN 67 HG2 GLN 67 -11.321 -1.894 -6.627 537 HG3 GLN 67 HG3 GLN 67 -11.209 -0.426 -7.588 538 HE21 GLN 67 HE21 GLN 67 -12.654 -3.551 -7.275 539 HE22 GLN 67 HE22 GLN 67 -13.839 -3.359 -8.519 540 H ARG 68 H ARG 68 -7.398 -2.555 -8.223 541 HA ARG 68 HA ARG 68 -6.446 -4.414 -10.297 542 HB2 ARG 68 HB2 ARG 68 -5.328 -2.677 -11.493 543 HB3 ARG 68 HB3 ARG 68 -6.985 -2.140 -11.255 544 HG2 ARG 68 HG2 ARG 68 -6.385 -0.475 -9.798 545 HG3 ARG 68 HG3 ARG 68 -4.925 -1.315 -9.268 546 HD2 ARG 68 HD2 ARG 68 -3.927 -0.873 -11.492 547 HD3 ARG 68 HD3 ARG 68 -5.353 0.067 -11.913 548 HE ARG 68 HE ARG 68 -4.174 1.013 -9.510 549 HH11 ARG 68 HH11 ARG 68 -3.818 1.048 -12.999 550 HH12 ARG 68 HH12 ARG 68 -2.909 2.524 -13.017 551 HH21 ARG 68 HH21 ARG 68 -2.961 2.964 -9.541 552 HH22 ARG 68 HH22 ARG 68 -2.442 3.617 -11.065 553 H LYS 69 H LYS 69 -4.247 -4.974 -10.188 554 HA LYS 69 HA LYS 69 -3.013 -4.607 -7.613 555 HB2 LYS 69 HB2 LYS 69 -2.163 -6.056 -10.106 556 HB3 LYS 69 HB3 LYS 69 -1.074 -5.846 -8.744 557 HG2 LYS 69 HG2 LYS 69 -2.092 -8.015 -8.616 558 HG3 LYS 69 HG3 LYS 69 -2.706 -7.014 -7.302 559 HD2 LYS 69 HD2 LYS 69 -4.736 -6.566 -8.645 560 HD3 LYS 69 HD3 LYS 69 -4.120 -7.656 -9.888 561 HE2 LYS 69 HE2 LYS 69 -5.748 -8.759 -8.421 562 HE3 LYS 69 HE3 LYS 69 -4.154 -9.505 -8.329 563 HZ1 LYS 69 HZ1 LYS 69 -5.243 -7.556 -6.368 564 HZ2 LYS 69 HZ2 LYS 69 -3.740 -8.330 -6.278 565 HZ3 LYS 69 HZ3 LYS 69 -5.161 -9.232 -6.143 566 H GLY 70 H GLY 70 -3.187 -2.215 -8.088 567 HA2 GLY 70 HA2 GLY 70 -0.522 -1.277 -8.701 568 HA3 GLY 70 HA3 GLY 70 -1.780 -0.690 -9.786 569 H THR 71 H THR 71 -0.061 0.620 -7.674 570 HA THR 71 HA THR 71 -1.913 1.315 -5.584 571 HB THR 71 HB THR 71 -0.014 2.950 -4.975 572 HG1 THR 71 HG1 THR 71 2.010 1.857 -6.033 573 HG21 THR 71 HG21 THR 71 0.545 -0.015 -5.050 574 HG22 THR 71 HG22 THR 71 -0.364 0.848 -3.804 575 HG23 THR 71 HG23 THR 71 1.357 1.168 -4.018 576 H HIS 72 H HIS 72 -1.439 3.938 -5.124 577 HA HIS 72 HA HIS 72 -3.015 5.323 -7.065 578 HB2 HIS 72 HB2 HIS 72 -2.927 7.140 -5.574 579 HB3 HIS 72 HB3 HIS 72 -2.692 5.774 -4.485 580 HD1 HIS 72 HD1 HIS 72 -0.907 8.685 -5.995 581 HD2 HIS 72 HD2 HIS 72 -0.084 5.515 -3.439 582 HE1 HIS 72 HE1 HIS 72 1.440 9.055 -5.182 583 HE2 HIS 72 HE2 HIS 72 1.949 7.059 -3.748 584 H ILE 73 H ILE 73 0.030 4.250 -7.364 585 HA ILE 73 HA ILE 73 2.015 5.754 -7.000 586 HB ILE 73 HB ILE 73 1.495 4.054 -9.269 587 HG12 ILE 73 HG12 ILE 73 2.757 3.496 -7.204 588 HG13 ILE 73 HG13 ILE 73 3.663 3.176 -8.681 589 HG21 ILE 73 HG21 ILE 73 2.147 5.729 -10.761 590 HG22 ILE 73 HG22 ILE 73 3.624 4.805 -10.471 591 HG23 ILE 73 HG23 ILE 73 3.372 6.350 -9.658 592 HD11 ILE 73 HD11 ILE 73 4.006 5.580 -6.897 593 HD12 ILE 73 HD12 ILE 73 4.929 5.232 -8.358 594 HD13 ILE 73 HD13 ILE 73 5.067 4.173 -6.957 595 H VAL 74 H VAL 74 2.606 7.638 -6.944 596 HA VAL 74 HA VAL 74 1.550 9.867 -8.187 597 HB VAL 74 HB VAL 74 2.878 10.323 -6.314 598 HG11 VAL 74 HG11 VAL 74 4.078 8.240 -6.155 599 HG12 VAL 74 HG12 VAL 74 5.226 9.576 -6.066 600 HG13 VAL 74 HG13 VAL 74 5.059 8.656 -7.561 601 HG21 VAL 74 HG21 VAL 74 4.755 11.706 -7.057 602 HG22 VAL 74 HG22 VAL 74 3.328 11.961 -8.062 603 HG23 VAL 74 HG23 VAL 74 4.663 10.972 -8.657 604 H LEU 75 H LEU 75 2.091 11.000 -9.989 605 HA LEU 75 HA LEU 75 2.597 9.667 -12.308 606 HB2 LEU 75 HB2 LEU 75 3.208 12.035 -13.164 607 HB3 LEU 75 HB3 LEU 75 1.596 11.724 -12.544 608 HG LEU 75 HG LEU 75 2.959 12.542 -10.287 609 HD11 LEU 75 HD11 LEU 75 4.108 14.602 -10.883 610 HD12 LEU 75 HD12 LEU 75 3.845 14.282 -12.597 611 HD13 LEU 75 HD13 LEU 75 4.887 13.219 -11.650 612 HD21 LEU 75 HD21 LEU 75 0.693 13.176 -10.923 613 HD22 LEU 75 HD22 LEU 75 1.321 14.207 -12.211 614 HD23 LEU 75 HD23 LEU 75 1.649 14.603 -10.524 615 H TRP 76 H TRP 76 4.361 8.338 -12.401 616 HA TRP 76 HA TRP 76 7.004 9.585 -12.173 617 HB2 TRP 76 HB2 TRP 76 6.101 6.712 -12.139 618 HB3 TRP 76 HB3 TRP 76 7.785 7.138 -12.421 619 HD1 TRP 76 HD1 TRP 76 5.337 6.569 -9.693 620 HE1 TRP 76 HE1 TRP 76 6.399 7.086 -7.409 621 HE3 TRP 76 HE3 TRP 76 9.551 8.915 -11.307 622 HZ2 TRP 76 HZ2 TRP 76 8.721 8.338 -6.425 623 HZ3 TRP 76 HZ3 TRP 76 11.145 9.747 -9.632 624 HH2 TRP 76 HH2 TRP 76 10.734 9.467 -7.243 625 H THR 77 H THR 77 7.676 10.454 -13.976 626 HA THR 77 HA THR 77 7.129 9.120 -16.537 627 HB THR 77 HB THR 77 7.533 11.298 -17.590 628 HG1 THR 77 HG1 THR 77 8.133 13.063 -16.406 629 HG21 THR 77 HG21 THR 77 5.246 10.823 -16.878 630 HG22 THR 77 HG22 THR 77 5.603 12.540 -16.683 631 HG23 THR 77 HG23 THR 77 5.597 11.476 -15.276 632 H GLY 78 H GLY 78 9.017 9.912 -18.175 633 HA2 GLY 78 HA2 GLY 78 11.379 8.605 -17.417 634 HA3 GLY 78 HA3 GLY 78 11.223 9.706 -18.779 635 H ASP 79 H ASP 79 10.529 12.031 -17.363 636 HA ASP 79 HA ASP 79 13.139 12.812 -16.427 637 HB2 ASP 79 HB2 ASP 79 12.176 15.080 -16.260 638 HB3 ASP 79 HB3 ASP 79 11.901 14.357 -17.841 639 H GLN 80 H GLN 80 9.902 12.460 -14.996 640 HA GLN 80 HA GLN 80 10.501 13.446 -12.441 641 HB2 GLN 80 HB2 GLN 80 8.295 12.291 -13.716 642 HB3 GLN 80 HB3 GLN 80 8.635 11.213 -12.368 643 HG2 GLN 80 HG2 GLN 80 8.533 14.144 -11.862 644 HG3 GLN 80 HG3 GLN 80 7.024 13.276 -12.127 645 HE21 GLN 80 HE21 GLN 80 7.715 10.843 -10.876 646 HE22 GLN 80 HE22 GLN 80 7.854 11.140 -9.184 647 H GLU 81 H GLU 81 11.031 10.339 -13.931 648 HA GLU 81 HA GLU 81 11.854 8.875 -11.669 649 HB2 GLU 81 HB2 GLU 81 11.330 8.092 -14.088 650 HB3 GLU 81 HB3 GLU 81 13.007 8.496 -14.422 651 HG2 GLU 81 HG2 GLU 81 13.074 6.234 -13.951 652 HG3 GLU 81 HG3 GLU 81 13.554 6.978 -12.425 653 H LEU 82 H LEU 82 13.717 10.650 -14.122 654 HA LEU 82 HA LEU 82 16.263 10.176 -13.054 655 HB2 LEU 82 HB2 LEU 82 15.924 11.002 -15.320 656 HB3 LEU 82 HB3 LEU 82 15.273 12.507 -14.696 657 HG LEU 82 HG LEU 82 17.531 12.859 -13.576 658 HD11 LEU 82 HD11 LEU 82 18.307 10.665 -15.486 659 HD12 LEU 82 HD12 LEU 82 18.369 10.597 -13.725 660 HD13 LEU 82 HD13 LEU 82 19.429 11.701 -14.603 661 HD21 LEU 82 HD21 LEU 82 16.835 14.132 -15.502 662 HD22 LEU 82 HD22 LEU 82 17.346 12.834 -16.581 663 HD23 LEU 82 HD23 LEU 82 18.545 13.721 -15.638 664 H GLU 83 H GLU 83 13.949 12.783 -12.507 665 HA GLU 83 HA GLU 83 15.551 14.442 -10.939 666 HB2 GLU 83 HB2 GLU 83 12.566 13.990 -10.901 667 HB3 GLU 83 HB3 GLU 83 13.366 15.263 -9.991 668 HG2 GLU 83 HG2 GLU 83 13.574 14.969 -12.975 669 HG3 GLU 83 HG3 GLU 83 12.370 15.972 -12.170 670 H LEU 84 H LEU 84 13.799 11.522 -10.129 671 HA LEU 84 HA LEU 84 14.189 11.746 -7.303 672 HB2 LEU 84 HB2 LEU 84 12.414 10.376 -8.282 673 HB3 LEU 84 HB3 LEU 84 13.604 9.348 -9.045 674 HG LEU 84 HG LEU 84 12.429 8.472 -6.946 675 HD11 LEU 84 HD11 LEU 84 14.458 7.367 -6.122 676 HD12 LEU 84 HD12 LEU 84 15.432 8.471 -7.091 677 HD13 LEU 84 HD13 LEU 84 14.331 7.340 -7.881 678 HD21 LEU 84 HD21 LEU 84 14.401 10.309 -5.600 679 HD22 LEU 84 HD22 LEU 84 13.373 9.115 -4.811 680 HD23 LEU 84 HD23 LEU 84 12.650 10.513 -5.604 681 H GLN 85 H GLN 85 15.866 10.072 -9.932 682 HA GLN 85 HA GLN 85 17.685 8.628 -8.386 683 HB2 GLN 85 HB2 GLN 85 17.232 8.230 -10.783 684 HB3 GLN 85 HB3 GLN 85 18.077 9.718 -11.178 685 HG2 GLN 85 HG2 GLN 85 19.531 7.659 -9.612 686 HG3 GLN 85 HG3 GLN 85 19.245 7.356 -11.323 687 HE21 GLN 85 HE21 GLN 85 20.219 8.697 -12.850 688 HE22 GLN 85 HE22 GLN 85 21.557 9.712 -12.444 689 H ARG 86 H ARG 86 18.223 11.747 -10.056 690 HA ARG 86 HA ARG 86 20.824 12.193 -9.129 691 HB2 ARG 86 HB2 ARG 86 18.770 14.358 -9.603 692 HB3 ARG 86 HB3 ARG 86 20.516 14.498 -9.738 693 HG2 ARG 86 HG2 ARG 86 20.452 12.937 -11.652 694 HG3 ARG 86 HG3 ARG 86 18.692 12.928 -11.543 695 HD2 ARG 86 HD2 ARG 86 19.334 14.503 -13.234 696 HD3 ARG 86 HD3 ARG 86 18.716 15.392 -11.842 697 HE ARG 86 HE ARG 86 21.603 15.052 -12.359 698 HH11 ARG 86 HH11 ARG 86 18.861 17.067 -11.500 699 HH12 ARG 86 HH12 ARG 86 19.824 18.481 -11.238 700 HH21 ARG 86 HH21 ARG 86 22.870 16.920 -12.032 701 HH22 ARG 86 HH22 ARG 86 22.111 18.400 -11.525 702 H LEU 87 H LEU 87 17.743 13.256 -7.845 703 HA LEU 87 HA LEU 87 18.450 14.689 -5.603 704 HB2 LEU 87 HB2 LEU 87 16.210 14.189 -6.716 705 HB3 LEU 87 HB3 LEU 87 16.197 12.705 -5.799 706 HG LEU 87 HG LEU 87 16.149 14.035 -3.707 707 HD11 LEU 87 HD11 LEU 87 15.594 16.424 -3.855 708 HD12 LEU 87 HD12 LEU 87 15.825 16.365 -5.603 709 HD13 LEU 87 HD13 LEU 87 17.196 16.096 -4.524 710 HD21 LEU 87 HD21 LEU 87 14.126 13.170 -4.773 711 HD22 LEU 87 HD22 LEU 87 14.004 14.644 -5.733 712 HD23 LEU 87 HD23 LEU 87 13.825 14.715 -3.987 713 H PHE 88 H PHE 88 17.720 11.227 -5.785 714 HA PHE 88 HA PHE 88 18.300 10.504 -3.194 715 HB2 PHE 88 HB2 PHE 88 17.057 9.016 -4.536 716 HB3 PHE 88 HB3 PHE 88 18.297 8.978 -5.784 717 HD1 PHE 88 HD1 PHE 88 17.657 8.014 -2.256 718 HD2 PHE 88 HD2 PHE 88 19.855 7.279 -5.817 719 HE1 PHE 88 HE1 PHE 88 18.618 5.999 -1.233 720 HE2 PHE 88 HE2 PHE 88 20.805 5.253 -4.820 721 HZ PHE 88 HZ PHE 88 20.198 4.610 -2.526 722 H GLU 89 H GLU 89 20.451 9.882 -6.011 723 HA GLU 89 HA GLU 89 22.435 8.715 -4.399 724 HB2 GLU 89 HB2 GLU 89 22.727 9.956 -7.131 725 HB3 GLU 89 HB3 GLU 89 23.896 8.895 -6.367 726 HG2 GLU 89 HG2 GLU 89 22.075 7.151 -6.289 727 HG3 GLU 89 HG3 GLU 89 21.141 8.225 -7.327 728 H GLU 90 H GLU 90 21.950 12.023 -5.398 729 HA GLU 90 HA GLU 90 24.649 12.778 -4.789 730 HB2 GLU 90 HB2 GLU 90 22.244 14.104 -5.895 731 HB3 GLU 90 HB3 GLU 90 23.507 15.130 -5.211 732 HG2 GLU 90 HG2 GLU 90 23.900 13.065 -7.371 733 HG3 GLU 90 HG3 GLU 90 23.753 14.804 -7.631 734 H PHE 91 H PHE 91 21.700 12.639 -2.989 735 HA PHE 91 HA PHE 91 23.001 14.275 -0.902 736 HB2 PHE 91 HB2 PHE 91 20.066 13.990 -1.535 737 HB3 PHE 91 HB3 PHE 91 20.688 14.789 -0.096 738 HD1 PHE 91 HD1 PHE 91 19.974 15.104 -3.615 739 HD2 PHE 91 HD2 PHE 91 22.067 16.854 -0.349 740 HE1 PHE 91 HE1 PHE 91 20.160 17.213 -4.868 741 HE2 PHE 91 HE2 PHE 91 22.254 18.967 -1.594 742 HZ PHE 91 HZ PHE 91 21.301 19.147 -3.856 743 H ARG 92 H ARG 92 22.598 11.178 -1.550 744 HA ARG 92 HA ARG 92 21.065 10.291 0.691 745 HB2 ARG 92 HB2 ARG 92 21.453 8.070 -0.039 746 HB3 ARG 92 HB3 ARG 92 21.226 9.046 -1.484 747 HG2 ARG 92 HG2 ARG 92 23.542 9.025 -1.969 748 HG3 ARG 92 HG3 ARG 92 23.913 8.372 -0.376 749 HD2 ARG 92 HD2 ARG 92 22.305 6.904 -2.456 750 HD3 ARG 92 HD3 ARG 92 24.042 6.698 -2.234 751 HE ARG 92 HE ARG 92 22.245 6.237 0.045 752 HH11 ARG 92 HH11 ARG 92 24.428 4.918 -2.364 753 HH12 ARG 92 HH12 ARG 92 24.643 3.417 -1.524 754 HH21 ARG 92 HH21 ARG 92 22.521 4.267 1.142 755 HH22 ARG 92 HH22 ARG 92 23.544 3.026 0.466 756 H ASP 93 H ASP 93 24.291 11.264 0.421 757 HA ASP 93 HA ASP 93 25.443 9.483 2.331 758 HB2 ASP 93 HB2 ASP 93 26.846 10.749 0.763 759 HB3 ASP 93 HB3 ASP 93 26.334 12.257 1.511 760 H SER 94 H SER 94 23.571 12.370 2.506 761 HA SER 94 HA SER 94 23.948 12.494 5.420 762 HB2 SER 94 HB2 SER 94 24.405 14.599 4.140 763 HB3 SER 94 HB3 SER 94 22.738 14.582 3.572 764 HG SER 94 HG SER 94 22.320 15.657 5.326 765 H ASP 95 H ASP 95 21.776 13.378 6.450 766 HA ASP 95 HA ASP 95 19.759 11.430 6.147 767 HB2 ASP 95 HB2 ASP 95 20.005 12.655 8.232 768 HB3 ASP 95 HB3 ASP 95 19.698 14.181 7.419 769 H ASP 96 H ASP 96 20.499 14.272 4.412 770 HA ASP 96 HA ASP 96 17.736 14.903 3.802 771 HB2 ASP 96 HB2 ASP 96 20.194 16.243 2.687 772 HB3 ASP 96 HB3 ASP 96 18.587 16.922 2.894 773 H VAL 97 H VAL 97 18.793 12.359 2.564 774 HA VAL 97 HA VAL 97 18.303 13.192 -0.173 775 HB VAL 97 HB VAL 97 19.553 11.274 -0.380 776 HG11 VAL 97 HG11 VAL 97 19.348 9.236 0.879 777 HG12 VAL 97 HG12 VAL 97 17.940 9.874 1.738 778 HG13 VAL 97 HG13 VAL 97 19.528 10.600 1.990 779 HG21 VAL 97 HG21 VAL 97 16.783 10.095 -0.363 780 HG22 VAL 97 HG22 VAL 97 18.171 9.602 -1.339 781 HG23 VAL 97 HG23 VAL 97 17.396 11.158 -1.630 782 H LEU 98 H LEU 98 16.623 11.159 2.182 783 HA LEU 98 HA LEU 98 14.330 10.944 0.510 784 HB2 LEU 98 HB2 LEU 98 15.407 9.415 2.460 785 HB3 LEU 98 HB3 LEU 98 14.127 10.204 3.360 786 HG LEU 98 HG LEU 98 12.520 9.414 1.618 787 HD11 LEU 98 HD11 LEU 98 13.274 7.500 0.228 788 HD12 LEU 98 HD12 LEU 98 14.934 7.904 0.680 789 HD13 LEU 98 HD13 LEU 98 13.962 9.060 -0.228 790 HD21 LEU 98 HD21 LEU 98 12.403 7.148 2.468 791 HD22 LEU 98 HD22 LEU 98 12.821 8.261 3.770 792 HD23 LEU 98 HD23 LEU 98 14.068 7.254 3.036 793 H GLY 99 H GLY 99 14.927 12.469 3.656 794 HA2 GLY 99 HA2 GLY 99 12.448 13.722 3.934 795 HA3 GLY 99 HA3 GLY 99 13.953 14.287 4.651 796 H HIS 100 H HIS 100 15.394 14.829 2.299 797 HA HIS 100 HA HIS 100 14.349 17.425 1.769 798 HB2 HIS 100 HB2 HIS 100 16.815 15.975 1.049 799 HB3 HIS 100 HB3 HIS 100 16.307 17.236 -0.072 800 HD1 HIS 100 HD1 HIS 100 18.072 18.954 0.507 801 HD2 HIS 100 HD2 HIS 100 15.967 17.609 3.828 802 HE1 HIS 100 HE1 HIS 100 18.782 20.437 2.409 803 HE2 HIS 100 HE2 HIS 100 17.685 19.440 4.437 804 H ILE 101 H ILE 101 13.990 14.374 0.196 805 HA ILE 101 HA ILE 101 13.104 15.286 -2.305 806 HB ILE 101 HB ILE 101 11.996 12.973 -0.691 807 HG12 ILE 101 HG12 ILE 101 14.130 13.003 -2.831 808 HG13 ILE 101 HG13 ILE 101 14.398 12.741 -1.113 809 HG21 ILE 101 HG21 ILE 101 10.468 13.659 -2.461 810 HG22 ILE 101 HG22 ILE 101 11.194 12.096 -2.831 811 HG23 ILE 101 HG23 ILE 101 11.772 13.549 -3.644 812 HD11 ILE 101 HD11 ILE 101 13.093 10.701 -1.204 813 HD12 ILE 101 HD12 ILE 101 14.429 10.654 -2.357 814 HD13 ILE 101 HD13 ILE 101 12.784 10.965 -2.919 815 H MET 102 H MET 102 11.189 14.406 0.503 816 HA MET 102 HA MET 102 8.792 15.458 -0.559 817 HB2 MET 102 HB2 MET 102 8.442 15.224 2.201 818 HB3 MET 102 HB3 MET 102 8.037 14.040 0.961 819 HG2 MET 102 HG2 MET 102 10.126 12.927 1.228 820 HG3 MET 102 HG3 MET 102 10.739 14.189 2.286 821 HE1 MET 102 HE1 MET 102 7.382 11.256 3.297 822 HE2 MET 102 HE2 MET 102 8.398 11.157 1.858 823 HE3 MET 102 HE3 MET 102 7.289 12.518 2.061 824 H LYS 103 H LYS 103 11.391 16.944 1.036 825 HA LYS 103 HA LYS 103 9.777 19.245 1.810 826 HB2 LYS 103 HB2 LYS 103 12.397 18.211 2.550 827 HB3 LYS 103 HB3 LYS 103 12.438 19.932 2.205 828 HG2 LYS 103 HG2 LYS 103 12.058 19.702 4.527 829 HG3 LYS 103 HG3 LYS 103 10.530 20.209 3.810 830 HD2 LYS 103 HD2 LYS 103 9.943 18.522 5.328 831 HD3 LYS 103 HD3 LYS 103 9.933 17.725 3.756 832 HE2 LYS 103 HE2 LYS 103 11.016 16.290 5.348 833 HE3 LYS 103 HE3 LYS 103 12.220 16.893 4.211 834 HZ1 LYS 103 HZ1 LYS 103 11.753 17.913 6.960 835 HZ2 LYS 103 HZ2 LYS 103 12.883 18.538 5.873 836 HZ3 LYS 103 HZ3 LYS 103 13.057 16.962 6.461 837 H ASN 104 H ASN 104 12.429 18.465 -0.475 838 HA ASN 104 HA ASN 104 12.259 21.252 -1.402 839 HB2 ASN 104 HB2 ASN 104 14.614 19.430 -1.054 840 HB3 ASN 104 HB3 ASN 104 14.701 20.845 -2.094 841 HD21 ASN 104 HD21 ASN 104 12.943 22.454 -0.410 842 HD22 ASN 104 HD22 ASN 104 13.877 22.875 0.984 843 H ILE 105 H ILE 105 11.638 18.119 -2.569 844 HA ILE 105 HA ILE 105 12.462 18.898 -5.263 845 HB ILE 105 HB ILE 105 12.716 16.501 -4.485 846 HG12 ILE 105 HG12 ILE 105 12.064 15.540 -6.670 847 HG13 ILE 105 HG13 ILE 105 11.152 17.004 -7.019 848 HG21 ILE 105 HG21 ILE 105 10.596 16.130 -3.401 849 HG22 ILE 105 HG22 ILE 105 10.732 15.036 -4.780 850 HG23 ILE 105 HG23 ILE 105 9.735 16.485 -4.899 851 HD11 ILE 105 HD11 ILE 105 13.170 18.304 -7.067 852 HD12 ILE 105 HD12 ILE 105 13.359 16.907 -8.123 853 HD13 ILE 105 HD13 ILE 105 14.118 16.921 -6.532 854 H THR 106 H THR 106 10.970 18.833 -7.021 855 HA THR 106 HA THR 106 8.864 20.576 -6.709 856 HB THR 106 HB THR 106 10.115 20.054 -8.807 857 HG1 THR 106 HG1 THR 106 8.388 21.237 -9.317 858 HG21 THR 106 HG21 THR 106 9.261 18.214 -10.217 859 HG22 THR 106 HG22 THR 106 8.288 17.659 -8.854 860 HG23 THR 106 HG23 THR 106 10.047 17.645 -8.745 861 H ALA 107 H ALA 107 8.877 17.088 -6.405 862 HA ALA 107 HA ALA 107 5.929 17.097 -6.400 863 HB1 ALA 107 HB1 ALA 107 6.053 14.694 -6.785 864 HB2 ALA 107 HB2 ALA 107 7.815 14.768 -6.727 865 HB3 ALA 107 HB3 ALA 107 6.939 15.578 -8.029 866 H LYS 108 H LYS 108 4.892 16.796 -4.526 867 HA LYS 108 HA LYS 108 6.477 16.138 -2.194 868 HB2 LYS 108 HB2 LYS 108 3.830 17.355 -2.671 869 HB3 LYS 108 HB3 LYS 108 3.953 16.355 -1.228 870 HG2 LYS 108 HG2 LYS 108 4.429 18.712 -0.772 871 HG3 LYS 108 HG3 LYS 108 5.806 17.671 -0.418 872 HD2 LYS 108 HD2 LYS 108 6.227 18.393 -3.045 873 HD3 LYS 108 HD3 LYS 108 5.553 19.860 -2.327 874 HE2 LYS 108 HE2 LYS 108 7.228 19.618 -0.482 875 HE3 LYS 108 HE3 LYS 108 7.959 18.299 -1.405 876 HZ1 LYS 108 HZ1 LYS 108 8.506 19.804 -3.158 877 HZ2 LYS 108 HZ2 LYS 108 9.036 20.510 -1.710 878 HZ3 LYS 108 HZ3 LYS 108 7.622 21.062 -2.451 879 H ARG 109 H ARG 109 6.970 14.110 -2.068 880 HA ARG 109 HA ARG 109 4.906 12.089 -2.600 881 HB2 ARG 109 HB2 ARG 109 7.882 11.617 -2.567 882 HB3 ARG 109 HB3 ARG 109 6.633 10.579 -3.233 883 HG2 ARG 109 HG2 ARG 109 6.237 12.142 -5.033 884 HG3 ARG 109 HG3 ARG 109 7.395 13.277 -4.336 885 HD2 ARG 109 HD2 ARG 109 9.120 11.439 -4.543 886 HD3 ARG 109 HD3 ARG 109 7.946 10.562 -5.513 887 HE ARG 109 HE ARG 109 7.996 12.674 -6.966 888 HH11 ARG 109 HH11 ARG 109 10.750 11.485 -5.162 889 HH12 ARG 109 HH12 ARG 109 11.914 12.090 -6.290 890 HH21 ARG 109 HH21 ARG 109 9.531 13.463 -8.466 891 HH22 ARG 109 HH22 ARG 109 11.226 13.216 -8.170 892 H SER 110 H SER 110 4.872 10.256 -1.200 893 HA SER 110 HA SER 110 5.724 10.886 1.518 894 HB2 SER 110 HB2 SER 110 3.872 8.688 0.560 895 HB3 SER 110 HB3 SER 110 4.146 9.178 2.232 896 HG SER 110 HG SER 110 3.470 11.371 1.080 897 H ARG 111 H ARG 111 6.457 8.929 2.825 898 HA ARG 111 HA ARG 111 8.950 8.247 1.808 899 HB2 ARG 111 HB2 ARG 111 7.376 7.093 4.099 900 HB3 ARG 111 HB3 ARG 111 9.046 6.658 3.765 901 HG2 ARG 111 HG2 ARG 111 8.113 9.474 4.266 902 HG3 ARG 111 HG3 ARG 111 8.766 8.408 5.509 903 HD2 ARG 111 HD2 ARG 111 10.858 8.240 4.313 904 HD3 ARG 111 HD3 ARG 111 10.213 9.199 2.987 905 HE ARG 111 HE ARG 111 10.158 11.098 4.504 906 HH11 ARG 111 HH11 ARG 111 12.000 8.316 5.572 907 HH12 ARG 111 HH12 ARG 111 13.082 9.247 6.556 908 HH21 ARG 111 HH21 ARG 111 11.588 12.331 5.822 909 HH22 ARG 111 HH22 ARG 111 12.844 11.522 6.703 910 H ALA 112 H ALA 112 6.104 6.128 2.174 911 HA ALA 112 HA ALA 112 7.342 3.745 1.461 912 HB1 ALA 112 HB1 ALA 112 5.118 2.866 1.035 913 HB2 ALA 112 HB2 ALA 112 4.465 4.502 0.980 914 HB3 ALA 112 HB3 ALA 112 5.124 3.867 2.486 915 H ARG 113 H ARG 113 5.809 6.146 -0.661 916 HA ARG 113 HA ARG 113 5.955 4.435 -2.959 917 HB2 ARG 113 HB2 ARG 113 5.117 6.315 -4.226 918 HB3 ARG 113 HB3 ARG 113 4.223 6.191 -2.719 919 HG2 ARG 113 HG2 ARG 113 5.831 7.947 -1.816 920 HG3 ARG 113 HG3 ARG 113 6.298 8.203 -3.500 921 HD2 ARG 113 HD2 ARG 113 4.580 9.787 -2.886 922 HD3 ARG 113 HD3 ARG 113 3.940 8.633 -4.057 923 HE ARG 113 HE ARG 113 3.255 7.514 -1.699 924 HH11 ARG 113 HH11 ARG 113 2.776 10.724 -3.031 925 HH12 ARG 113 HH12 ARG 113 1.375 11.046 -2.063 926 HH21 ARG 113 HH21 ARG 113 1.384 7.930 -0.461 927 HH22 ARG 113 HH22 ARG 113 0.577 9.459 -0.621 928 H ILE 114 H ILE 114 8.024 6.810 -1.502 929 HA ILE 114 HA ILE 114 9.768 7.131 -3.752 930 HB ILE 114 HB ILE 114 10.261 7.627 -0.809 931 HG12 ILE 114 HG12 ILE 114 9.653 9.604 -3.010 932 HG13 ILE 114 HG13 ILE 114 8.444 8.988 -1.886 933 HG21 ILE 114 HG21 ILE 114 12.338 7.285 -2.046 934 HG22 ILE 114 HG22 ILE 114 12.163 8.964 -1.537 935 HG23 ILE 114 HG23 ILE 114 11.849 8.516 -3.212 936 HD11 ILE 114 HD11 ILE 114 9.257 11.188 -1.204 937 HD12 ILE 114 HD12 ILE 114 10.902 10.562 -1.127 938 HD13 ILE 114 HD13 ILE 114 9.677 9.959 -0.011 939 H VAL 115 H VAL 115 9.828 5.313 -0.741 940 HA VAL 115 HA VAL 115 12.257 3.992 -1.053 941 HB VAL 115 HB VAL 115 9.734 3.103 0.349 942 HG11 VAL 115 HG11 VAL 115 12.535 2.027 0.632 943 HG12 VAL 115 HG12 VAL 115 11.168 1.185 -0.098 944 HG13 VAL 115 HG13 VAL 115 11.146 1.576 1.622 945 HG21 VAL 115 HG21 VAL 115 10.928 3.889 2.369 946 HG22 VAL 115 HG22 VAL 115 10.591 5.180 1.214 947 HG23 VAL 115 HG23 VAL 115 12.216 4.506 1.330 948 H ASP 116 H ASP 116 8.981 2.928 -1.950 949 HA ASP 116 HA ASP 116 9.659 0.454 -3.040 950 HB2 ASP 116 HB2 ASP 116 7.342 1.146 -2.602 951 HB3 ASP 116 HB3 ASP 116 7.455 2.334 -3.896 952 H LYS 117 H LYS 117 9.885 3.684 -4.408 953 HA LYS 117 HA LYS 117 10.223 2.750 -7.089 954 HB2 LYS 117 HB2 LYS 117 9.534 5.148 -6.119 955 HB3 LYS 117 HB3 LYS 117 11.258 5.432 -6.340 956 HG2 LYS 117 HG2 LYS 117 10.119 6.139 -8.319 957 HG3 LYS 117 HG3 LYS 117 11.018 4.670 -8.696 958 HD2 LYS 117 HD2 LYS 117 8.684 3.571 -7.969 959 HD3 LYS 117 HD3 LYS 117 8.091 5.127 -8.554 960 HE2 LYS 117 HE2 LYS 117 9.873 3.264 -10.121 961 HE3 LYS 117 HE3 LYS 117 8.122 3.347 -10.286 962 HZ1 LYS 117 HZ1 LYS 117 8.329 5.637 -10.992 963 HZ2 LYS 117 HZ2 LYS 117 9.256 4.632 -11.984 964 HZ3 LYS 117 HZ3 LYS 117 10.015 5.581 -10.807 965 H LEU 118 H LEU 118 12.445 3.654 -4.475 966 HA LEU 118 HA LEU 118 14.822 3.529 -5.989 967 HB2 LEU 118 HB2 LEU 118 14.519 2.646 -3.130 968 HB3 LEU 118 HB3 LEU 118 16.003 3.087 -3.937 969 HG LEU 118 HG LEU 118 13.780 4.905 -3.052 970 HD11 LEU 118 HD11 LEU 118 15.379 4.291 -1.369 971 HD12 LEU 118 HD12 LEU 118 15.677 5.961 -1.856 972 HD13 LEU 118 HD13 LEU 118 16.723 4.664 -2.451 973 HD21 LEU 118 HD21 LEU 118 14.499 5.562 -5.315 974 HD22 LEU 118 HD22 LEU 118 16.170 5.618 -4.753 975 HD23 LEU 118 HD23 LEU 118 14.978 6.737 -4.092 976 H LEU 119 H LEU 119 12.982 1.081 -4.275 977 HA LEU 119 HA LEU 119 14.767 -1.067 -4.695 978 HB2 LEU 119 HB2 LEU 119 11.871 -0.817 -3.965 979 HB3 LEU 119 HB3 LEU 119 12.535 -2.396 -4.348 980 HG LEU 119 HG LEU 119 12.471 -1.978 -1.916 981 HD11 LEU 119 HD11 LEU 119 14.117 -3.516 -2.831 982 HD12 LEU 119 HD12 LEU 119 14.757 -2.668 -1.422 983 HD13 LEU 119 HD13 LEU 119 15.259 -2.188 -3.045 984 HD21 LEU 119 HD21 LEU 119 12.840 0.432 -1.894 985 HD22 LEU 119 HD22 LEU 119 14.481 0.202 -2.492 986 HD23 LEU 119 HD23 LEU 119 14.037 -0.389 -0.893 987 H ALA 120 H ALA 120 12.454 0.493 -6.667 988 HA ALA 120 HA ALA 120 12.145 -1.698 -8.527 989 HB1 ALA 120 HB1 ALA 120 11.222 1.155 -8.801 990 HB2 ALA 120 HB2 ALA 120 10.313 -0.112 -7.979 991 HB3 ALA 120 HB3 ALA 120 10.645 -0.244 -9.711 992 H LEU 121 H LEU 121 13.648 1.527 -8.525 993 HA LEU 121 HA LEU 121 14.978 1.244 -11.023 994 HB2 LEU 121 HB2 LEU 121 15.336 3.002 -8.625 995 HB3 LEU 121 HB3 LEU 121 16.556 2.983 -9.878 996 HG LEU 121 HG LEU 121 14.946 3.786 -11.511 997 HD11 LEU 121 HD11 LEU 121 12.702 4.470 -10.848 998 HD12 LEU 121 HD12 LEU 121 12.972 3.795 -9.242 999 HD13 LEU 121 HD13 LEU 121 12.926 2.733 -10.646 1000 HD21 LEU 121 HD21 LEU 121 14.580 6.013 -10.553 1001 HD22 LEU 121 HD22 LEU 121 16.196 5.401 -10.196 1002 HD23 LEU 121 HD23 LEU 121 14.949 5.372 -8.949 1003 H GLY 122 H GLY 122 15.536 0.075 -7.858 1004 HA2 GLY 122 HA2 GLY 122 17.150 -1.286 -6.987 1005 HA3 GLY 122 HA3 GLY 122 17.868 -1.404 -8.594 1006 H LEU 123 H LEU 123 17.216 1.567 -6.844 1007 HA LEU 123 HA LEU 123 19.965 2.393 -7.051 1008 HB2 LEU 123 HB2 LEU 123 17.539 3.640 -5.762 1009 HB3 LEU 123 HB3 LEU 123 19.127 4.389 -5.745 1010 HG LEU 123 HG LEU 123 17.451 3.799 -8.187 1011 HD11 LEU 123 HD11 LEU 123 17.391 6.232 -8.425 1012 HD12 LEU 123 HD12 LEU 123 18.279 6.400 -6.910 1013 HD13 LEU 123 HD13 LEU 123 16.657 5.707 -6.911 1014 HD21 LEU 123 HD21 LEU 123 19.789 3.480 -8.723 1015 HD22 LEU 123 HD22 LEU 123 20.200 5.018 -7.968 1016 HD23 LEU 123 HD23 LEU 123 19.217 4.991 -9.429 1017 H VAL 124 H VAL 124 17.904 0.890 -4.807 1018 HA VAL 124 HA VAL 124 20.182 0.453 -3.016 1019 HB VAL 124 HB VAL 124 18.720 0.531 -1.052 1020 HG11 VAL 124 HG11 VAL 124 19.972 2.523 -1.649 1021 HG12 VAL 124 HG12 VAL 124 18.421 2.955 -0.931 1022 HG13 VAL 124 HG13 VAL 124 18.646 3.067 -2.678 1023 HG21 VAL 124 HG21 VAL 124 16.612 -0.031 -2.121 1024 HG22 VAL 124 HG22 VAL 124 16.614 1.511 -2.974 1025 HG23 VAL 124 HG23 VAL 124 16.459 1.476 -1.218 1026 H ALA 125 H ALA 125 19.785 -1.460 -1.634 1027 HA ALA 125 HA ALA 125 18.242 -3.481 -3.114 1028 HB1 ALA 125 HB1 ALA 125 20.542 -3.895 -1.210 1029 HB2 ALA 125 HB2 ALA 125 20.667 -3.887 -2.969 1030 HB3 ALA 125 HB3 ALA 125 19.729 -5.139 -2.157 1031 H GLU 126 H GLU 126 18.147 -1.552 -0.468 1032 HA GLU 126 HA GLU 126 16.062 -2.979 0.838 1033 HB2 GLU 126 HB2 GLU 126 17.201 -3.357 2.958 1034 HB3 GLU 126 HB3 GLU 126 18.001 -4.246 1.669 1035 HG2 GLU 126 HG2 GLU 126 19.653 -2.394 1.511 1036 HG3 GLU 126 HG3 GLU 126 18.909 -1.674 2.936 1037 H ARG 127 H ARG 127 15.683 -1.791 3.090 1038 HA ARG 127 HA ARG 127 15.350 0.961 2.329 1039 HB2 ARG 127 HB2 ARG 127 14.363 -0.732 4.575 1040 HB3 ARG 127 HB3 ARG 127 14.282 1.016 4.719 1041 HG2 ARG 127 HG2 ARG 127 12.187 0.250 3.893 1042 HG3 ARG 127 HG3 ARG 127 13.018 1.076 2.581 1043 HD2 ARG 127 HD2 ARG 127 12.001 -0.921 1.721 1044 HD3 ARG 127 HD3 ARG 127 13.751 -1.126 1.721 1045 HE ARG 127 HE ARG 127 13.041 -2.239 4.070 1046 HH11 ARG 127 HH11 ARG 127 11.756 -2.617 0.841 1047 HH12 ARG 127 HH12 ARG 127 11.332 -4.286 1.057 1048 HH21 ARG 127 HH21 ARG 127 12.491 -4.445 4.369 1049 HH22 ARG 127 HH22 ARG 127 11.761 -5.328 3.066 1050 H ARG 128 H ARG 128 17.493 -0.795 4.402 1051 HA ARG 128 HA ARG 128 18.315 1.110 6.213 1052 HB2 ARG 128 HB2 ARG 128 19.141 -1.090 6.449 1053 HB3 ARG 128 HB3 ARG 128 19.813 -1.101 4.826 1054 HG2 ARG 128 HG2 ARG 128 20.984 1.015 6.370 1055 HG3 ARG 128 HG3 ARG 128 21.132 -0.523 7.217 1056 HD2 ARG 128 HD2 ARG 128 21.890 -0.139 4.328 1057 HD3 ARG 128 HD3 ARG 128 23.030 0.049 5.659 1058 HE ARG 128 HE ARG 128 21.808 -2.445 5.930 1059 HH11 ARG 128 HH11 ARG 128 23.871 -0.811 3.605 1060 HH12 ARG 128 HH12 ARG 128 24.738 -2.263 3.189 1061 HH21 ARG 128 HH21 ARG 128 22.932 -4.347 5.347 1062 HH22 ARG 128 HH22 ARG 128 24.183 -4.274 4.136 1063 H GLU 129 H GLU 129 19.187 0.843 2.832 1064 HA GLU 129 HA GLU 129 21.500 2.483 2.978 1065 HB2 GLU 129 HB2 GLU 129 19.823 1.468 0.701 1066 HB3 GLU 129 HB3 GLU 129 21.264 2.446 0.458 1067 HG2 GLU 129 HG2 GLU 129 21.241 -0.142 1.980 1068 HG3 GLU 129 HG3 GLU 129 21.615 -0.014 0.260 1069 H LEU 130 H LEU 130 18.220 3.278 2.996 1070 HA LEU 130 HA LEU 130 18.770 5.937 1.871 1071 HB2 LEU 130 HB2 LEU 130 16.124 5.950 1.861 1072 HB3 LEU 130 HB3 LEU 130 17.064 5.286 0.541 1073 HG LEU 130 HG LEU 130 16.194 3.447 2.727 1074 HD11 LEU 130 HD11 LEU 130 14.179 4.691 2.196 1075 HD12 LEU 130 HD12 LEU 130 14.097 3.047 1.559 1076 HD13 LEU 130 HD13 LEU 130 14.441 4.395 0.477 1077 HD21 LEU 130 HD21 LEU 130 17.640 2.545 1.032 1078 HD22 LEU 130 HD22 LEU 130 16.616 3.202 -0.248 1079 HD23 LEU 130 HD23 LEU 130 16.015 1.903 0.780 1080 H TYR 131 H TYR 131 19.016 4.722 4.685 1081 HA TYR 131 HA TYR 131 17.620 6.927 6.048 1082 HB2 TYR 131 HB2 TYR 131 18.187 4.173 7.176 1083 HB3 TYR 131 HB3 TYR 131 17.495 5.516 8.077 1084 HD1 TYR 131 HD1 TYR 131 15.575 6.579 6.074 1085 HD2 TYR 131 HD2 TYR 131 16.492 2.577 7.192 1086 HE1 TYR 131 HE1 TYR 131 13.326 5.873 5.375 1087 HE2 TYR 131 HE2 TYR 131 14.248 1.864 6.502 1088 HH TYR 131 HH TYR 131 12.218 3.776 4.616 1089 H LYS 132 H LYS 132 18.878 8.256 7.186 1090 HA LYS 132 HA LYS 132 21.593 8.383 6.918 1091 HB2 LYS 132 HB2 LYS 132 21.614 9.848 8.941 1092 HB3 LYS 132 HB3 LYS 132 20.418 10.289 7.733 1093 HG2 LYS 132 HG2 LYS 132 18.644 9.405 9.046 1094 HG3 LYS 132 HG3 LYS 132 19.775 8.650 10.171 1095 HD2 LYS 132 HD2 LYS 132 20.512 10.794 10.963 1096 HD3 LYS 132 HD3 LYS 132 19.581 11.623 9.718 1097 HE2 LYS 132 HE2 LYS 132 18.457 9.982 11.982 1098 HE3 LYS 132 HE3 LYS 132 18.449 11.742 11.866 1099 HZ1 LYS 132 HZ1 LYS 132 17.191 11.356 9.691 1100 HZ2 LYS 132 HZ2 LYS 132 16.352 11.124 11.145 1101 HZ3 LYS 132 HZ3 LYS 132 16.916 9.785 10.276 1102 H LYS 133 H LYS 133 22.759 6.602 7.209 1103 HA LYS 133 HA LYS 133 23.038 5.627 9.968 1104 HB2 LYS 133 HB2 LYS 133 21.911 3.952 8.541 1105 HB3 LYS 133 HB3 LYS 133 23.246 4.024 7.405 1106 HG2 LYS 133 HG2 LYS 133 24.742 3.062 9.034 1107 HG3 LYS 133 HG3 LYS 133 23.474 3.099 10.264 1108 HD2 LYS 133 HD2 LYS 133 22.131 1.553 8.932 1109 HD3 LYS 133 HD3 LYS 133 23.378 1.530 7.687 1110 HE2 LYS 133 HE2 LYS 133 23.783 0.638 10.536 1111 HE3 LYS 133 HE3 LYS 133 23.421 -0.445 9.194 1112 HZ1 LYS 133 HZ1 LYS 133 25.832 1.252 9.509 1113 HZ2 LYS 133 HZ2 LYS 133 25.472 0.368 8.112 1114 HZ3 LYS 133 HZ3 LYS 133 25.762 -0.436 9.571 1115 H ARG 134 H ARG 134 24.918 6.479 10.641 1116 HA ARG 134 HA ARG 134 26.933 7.209 8.734 1117 HB2 ARG 134 HB2 ARG 134 26.725 7.503 11.716 1118 HB3 ARG 134 HB3 ARG 134 28.232 7.835 10.879 1119 HG2 ARG 134 HG2 ARG 134 27.126 9.903 11.146 1120 HG3 ARG 134 HG3 ARG 134 26.972 9.459 9.448 1121 HD2 ARG 134 HD2 ARG 134 24.707 8.593 9.913 1122 HD3 ARG 134 HD3 ARG 134 24.866 9.141 11.581 1123 HE ARG 134 HE ARG 134 25.144 11.097 9.414 1124 HH11 ARG 134 HH11 ARG 134 23.301 9.811 12.099 1125 HH12 ARG 134 HH12 ARG 134 22.271 11.198 12.233 1126 HH21 ARG 134 HH21 ARG 134 23.765 12.933 9.571 1127 HH22 ARG 134 HH22 ARG 134 22.529 12.969 10.787 1128 H GLN 135 H GLN 135 27.317 5.190 7.889 1129 HA GLN 135 HA GLN 135 28.944 3.397 9.544 1130 HB2 GLN 135 HB2 GLN 135 28.560 1.736 7.746 1131 HB3 GLN 135 HB3 GLN 135 27.055 2.313 8.447 1132 HG2 GLN 135 HG2 GLN 135 26.872 3.903 6.521 1133 HG3 GLN 135 HG3 GLN 135 28.251 3.081 5.794 1134 HE21 GLN 135 HE21 GLN 135 27.039 2.410 4.021 1135 HE22 GLN 135 HE22 GLN 135 25.842 1.168 4.138 1136 H LYS 136 H LYS 136 30.882 2.498 8.490 1137 HA LYS 136 HA LYS 136 32.423 4.546 7.236 1138 HB2 LYS 136 HB2 LYS 136 33.019 1.631 7.775 1139 HB3 LYS 136 HB3 LYS 136 34.195 2.782 7.148 1140 HG2 LYS 136 HG2 LYS 136 34.064 4.103 9.142 1141 HG3 LYS 136 HG3 LYS 136 32.735 3.124 9.757 1142 HD2 LYS 136 HD2 LYS 136 34.211 1.199 9.926 1143 HD3 LYS 136 HD3 LYS 136 35.540 2.144 9.250 1144 HE2 LYS 136 HE2 LYS 136 35.693 1.990 11.690 1145 HE3 LYS 136 HE3 LYS 136 35.466 3.651 11.155 1146 HZ1 LYS 136 HZ1 LYS 136 33.091 3.419 11.685 1147 HZ2 LYS 136 HZ2 LYS 136 34.073 3.207 13.043 1148 HZ3 LYS 136 HZ3 LYS 136 33.380 1.865 12.283 1149 H LYS 137 H LYS 137 33.838 3.668 5.217 1150 HA LYS 137 HA LYS 137 32.083 4.073 3.113 1151 HB2 LYS 137 HB2 LYS 137 33.938 3.924 1.648 1152 HB3 LYS 137 HB3 LYS 137 34.524 4.619 3.144 1153 HG2 LYS 137 HG2 LYS 137 34.925 1.769 2.245 1154 HG3 LYS 137 HG3 LYS 137 36.117 3.061 2.161 1155 HD2 LYS 137 HD2 LYS 137 36.823 2.408 4.170 1156 HD3 LYS 137 HD3 LYS 137 35.302 3.006 4.829 1157 HE2 LYS 137 HE2 LYS 137 34.274 0.829 4.525 1158 HE3 LYS 137 HE3 LYS 137 35.740 0.222 3.757 1159 HZ1 LYS 137 HZ1 LYS 137 35.454 1.071 6.583 1160 HZ2 LYS 137 HZ2 LYS 137 36.918 0.641 5.859 1161 HZ3 LYS 137 HZ3 LYS 137 35.685 -0.504 6.016 1162 H LEU 138 H LEU 138 30.415 2.614 3.063 1163 HA LEU 138 HA LEU 138 31.096 0.074 1.798 1164 HB2 LEU 138 HB2 LEU 138 30.752 -0.395 4.175 1165 HB3 LEU 138 HB3 LEU 138 29.167 0.353 4.098 1166 HG LEU 138 HG LEU 138 28.401 -1.400 2.555 1167 HD11 LEU 138 HD11 LEU 138 29.811 -3.386 2.183 1168 HD12 LEU 138 HD12 LEU 138 31.157 -2.553 2.958 1169 HD13 LEU 138 HD13 LEU 138 30.486 -1.931 1.451 1170 HD21 LEU 138 HD21 LEU 138 29.678 -2.460 5.069 1171 HD22 LEU 138 HD22 LEU 138 28.396 -3.252 4.153 1172 HD23 LEU 138 HD23 LEU 138 28.088 -1.706 4.949 1173 H ALA 139 H ALA 139 29.754 -0.504 0.190 1174 HA ALA 139 HA ALA 139 27.713 1.391 -0.621 1175 HB1 ALA 139 HB1 ALA 139 28.682 -1.127 -1.970 1176 HB2 ALA 139 HB2 ALA 139 29.323 0.491 -2.251 1177 HB3 ALA 139 HB3 ALA 139 27.656 0.113 -2.689 1178 H SER 140 H SER 140 25.827 -0.119 -1.871 1179 HA SER 140 HA SER 140 24.265 -1.106 0.289 1180 HB2 SER 140 HB2 SER 140 23.792 -1.373 -2.690 1181 HB3 SER 140 HB3 SER 140 22.589 -1.619 -1.422 1182 HG SER 140 HG SER 140 23.491 0.718 -0.886 1183 H SER 141 H SER 141 24.990 -2.870 1.274 1184 HA SER 141 HA SER 141 25.202 -5.339 -0.239 1185 HB2 SER 141 HB2 SER 141 27.504 -4.264 -0.130 1186 HB3 SER 141 HB3 SER 141 27.435 -4.485 1.617 1187 HG SER 141 HG SER 141 27.299 -6.525 -0.360 Start of MODEL 14 1 H1 ASP 1 HT1 ASP 1 -20.247 11.272 -7.299 2 H2 ASP 1 HT2 ASP 1 -21.844 11.693 -7.658 3 H3 ASP 1 HT3 ASP 1 -20.756 11.370 -8.907 4 HA ASP 1 HA ASP 1 -20.585 9.097 -8.283 5 HB2 ASP 1 HB2 ASP 1 -22.373 9.960 -6.006 6 HB3 ASP 1 HB3 ASP 1 -22.185 8.270 -6.466 7 HA PRO 2 HA PRO 2 -23.347 7.985 -11.300 8 HB2 PRO 2 HB2 PRO 2 -24.723 6.028 -9.506 9 HB3 PRO 2 HB3 PRO 2 -24.086 5.805 -11.141 10 HG2 PRO 2 HG2 PRO 2 -22.719 4.912 -9.059 11 HG3 PRO 2 HG3 PRO 2 -21.883 5.705 -10.409 12 HD2 PRO 2 HD2 PRO 2 -22.507 6.750 -7.687 13 HD3 PRO 2 HD3 PRO 2 -21.096 7.058 -8.719 14 H SER 3 H SER 3 -25.575 7.517 -8.527 15 HA SER 3 HA SER 3 -27.736 8.403 -10.198 16 HB2 SER 3 HB2 SER 3 -28.027 6.534 -8.636 17 HB3 SER 3 HB3 SER 3 -27.715 7.613 -7.278 18 HG SER 3 HG SER 3 -30.024 7.082 -8.205 19 H ARG 4 H ARG 4 -26.407 9.541 -7.096 20 HA ARG 4 HA ARG 4 -27.157 12.262 -7.746 21 HB2 ARG 4 HB2 ARG 4 -28.425 12.504 -5.594 22 HB3 ARG 4 HB3 ARG 4 -29.228 11.498 -6.791 23 HG2 ARG 4 HG2 ARG 4 -28.497 9.494 -5.633 24 HG3 ARG 4 HG3 ARG 4 -27.608 10.475 -4.467 25 HD2 ARG 4 HD2 ARG 4 -30.590 10.590 -4.901 26 HD3 ARG 4 HD3 ARG 4 -29.792 9.678 -3.621 27 HE ARG 4 HE ARG 4 -29.683 12.621 -3.872 28 HH11 ARG 4 HH11 ARG 4 -29.791 9.710 -1.927 29 HH12 ARG 4 HH12 ARG 4 -29.755 10.563 -0.422 30 HH21 ARG 4 HH21 ARG 4 -29.660 13.744 -1.884 31 HH22 ARG 4 HH22 ARG 4 -29.677 12.855 -0.394 32 H ARG 5 H ARG 5 -26.810 13.452 -5.320 33 HA ARG 5 HA ARG 5 -24.041 13.134 -4.742 34 HB2 ARG 5 HB2 ARG 5 -26.181 14.925 -3.937 35 HB3 ARG 5 HB3 ARG 5 -25.202 14.446 -2.558 36 HG2 ARG 5 HG2 ARG 5 -24.218 15.742 -5.092 37 HG3 ARG 5 HG3 ARG 5 -24.357 16.498 -3.504 38 HD2 ARG 5 HD2 ARG 5 -22.505 14.255 -4.303 39 HD3 ARG 5 HD3 ARG 5 -22.061 15.904 -3.880 40 HE ARG 5 HE ARG 5 -23.423 14.775 -1.711 41 HH11 ARG 5 HH11 ARG 5 -20.392 14.456 -3.424 42 HH12 ARG 5 HH12 ARG 5 -19.541 13.810 -2.059 43 HH21 ARG 5 HH21 ARG 5 -22.309 13.910 0.086 44 HH22 ARG 5 HH22 ARG 5 -20.631 13.499 -0.058 45 H ALA 6 H ALA 6 -23.080 11.848 -3.307 46 HA ALA 6 HA ALA 6 -24.548 9.790 -2.029 47 HB1 ALA 6 HB1 ALA 6 -22.383 9.141 -1.063 48 HB2 ALA 6 HB2 ALA 6 -21.667 10.620 -1.707 49 HB3 ALA 6 HB3 ALA 6 -22.294 9.390 -2.806 50 HA PRO 7 HA PRO 7 -25.275 11.737 1.882 51 HB2 PRO 7 HB2 PRO 7 -25.773 9.615 3.405 52 HB3 PRO 7 HB3 PRO 7 -26.819 10.006 2.035 53 HG2 PRO 7 HG2 PRO 7 -24.595 8.003 2.176 54 HG3 PRO 7 HG3 PRO 7 -26.244 7.789 1.551 55 HD2 PRO 7 HD2 PRO 7 -24.101 8.325 -0.045 56 HD3 PRO 7 HD3 PRO 7 -25.756 8.826 -0.439 57 H THR 8 H THR 8 -24.573 11.357 4.294 58 HA THR 8 HA THR 8 -21.666 11.089 4.274 59 HB THR 8 HB THR 8 -21.946 12.132 6.625 60 HG1 THR 8 HG1 THR 8 -23.899 12.752 7.166 61 HG21 THR 8 HG21 THR 8 -22.004 14.386 5.658 62 HG22 THR 8 HG22 THR 8 -22.627 13.724 4.148 63 HG23 THR 8 HG23 THR 8 -21.003 13.302 4.691 64 H TRP 9 H TRP 9 -20.638 9.516 5.312 65 HA TRP 9 HA TRP 9 -22.091 7.262 6.232 66 HB2 TRP 9 HB2 TRP 9 -19.165 7.959 6.230 67 HB3 TRP 9 HB3 TRP 9 -19.759 6.467 6.949 68 HD1 TRP 9 HD1 TRP 9 -19.271 8.176 3.571 69 HE1 TRP 9 HE1 TRP 9 -19.475 6.406 1.716 70 HE3 TRP 9 HE3 TRP 9 -20.834 4.217 6.390 71 HZ2 TRP 9 HZ2 TRP 9 -20.203 3.698 1.474 72 HZ3 TRP 9 HZ3 TRP 9 -21.269 2.072 5.267 73 HH2 TRP 9 HH2 TRP 9 -20.961 1.821 2.860 74 H SER 10 H SER 10 -22.360 6.443 8.235 75 HA SER 10 HA SER 10 -21.530 8.100 10.513 76 HB2 SER 10 HB2 SER 10 -23.626 7.206 11.635 77 HB3 SER 10 HB3 SER 10 -23.916 8.329 10.306 78 HG SER 10 HG SER 10 -24.950 6.806 9.317 79 HA PRO 11 HA PRO 11 -19.356 4.661 12.259 80 HB2 PRO 11 HB2 PRO 11 -21.206 4.980 14.592 81 HB3 PRO 11 HB3 PRO 11 -19.448 4.785 14.573 82 HG2 PRO 11 HG2 PRO 11 -20.505 7.183 14.946 83 HG3 PRO 11 HG3 PRO 11 -19.086 6.986 13.900 84 HD2 PRO 11 HD2 PRO 11 -21.934 7.470 13.159 85 HD3 PRO 11 HD3 PRO 11 -20.448 8.023 12.361 86 H GLU 12 H GLU 12 -22.901 4.583 12.613 87 HA GLU 12 HA GLU 12 -23.153 1.796 12.939 88 HB2 GLU 12 HB2 GLU 12 -25.054 3.197 13.389 89 HB3 GLU 12 HB3 GLU 12 -25.052 3.821 11.743 90 HG2 GLU 12 HG2 GLU 12 -25.456 1.412 11.010 91 HG3 GLU 12 HG3 GLU 12 -25.819 1.084 12.701 92 H GLU 13 H GLU 13 -23.435 3.807 10.020 93 HA GLU 13 HA GLU 13 -23.915 1.594 8.314 94 HB2 GLU 13 HB2 GLU 13 -24.445 4.155 8.024 95 HB3 GLU 13 HB3 GLU 13 -22.854 4.196 7.280 96 HG2 GLU 13 HG2 GLU 13 -24.605 3.940 5.615 97 HG3 GLU 13 HG3 GLU 13 -23.548 2.526 5.654 98 H GLU 14 H GLU 14 -21.020 3.304 9.330 99 HA GLU 14 HA GLU 14 -19.296 2.109 7.396 100 HB2 GLU 14 HB2 GLU 14 -18.639 3.334 10.083 101 HB3 GLU 14 HB3 GLU 14 -17.464 2.917 8.843 102 HG2 GLU 14 HG2 GLU 14 -18.615 4.498 7.308 103 HG3 GLU 14 HG3 GLU 14 -19.635 4.989 8.657 104 H ALA 15 H ALA 15 -20.335 1.226 10.649 105 HA ALA 15 HA ALA 15 -18.662 -1.061 10.894 106 HB1 ALA 15 HB1 ALA 15 -20.230 -1.756 12.660 107 HB2 ALA 15 HB2 ALA 15 -21.320 -0.452 12.184 108 HB3 ALA 15 HB3 ALA 15 -19.727 -0.074 12.837 109 H HIS 16 H HIS 16 -21.763 -0.447 9.483 110 HA HIS 16 HA HIS 16 -22.435 -3.104 8.806 111 HB2 HIS 16 HB2 HIS 16 -24.079 -1.249 8.988 112 HB3 HIS 16 HB3 HIS 16 -23.365 -0.505 7.566 113 HD1 HIS 16 HD1 HIS 16 -25.604 -0.642 6.311 114 HD2 HIS 16 HD2 HIS 16 -24.059 -4.334 7.454 115 HE1 HIS 16 HE1 HIS 16 -26.962 -2.373 5.070 116 HE2 HIS 16 HE2 HIS 16 -25.993 -4.596 5.760 117 H LEU 17 H LEU 17 -20.451 -0.631 7.401 118 HA LEU 17 HA LEU 17 -20.265 -1.712 4.790 119 HB2 LEU 17 HB2 LEU 17 -19.632 0.609 5.414 120 HB3 LEU 17 HB3 LEU 17 -18.255 -0.030 6.290 121 HG LEU 17 HG LEU 17 -17.250 -0.829 4.230 122 HD11 LEU 17 HD11 LEU 17 -19.173 -1.490 2.979 123 HD12 LEU 17 HD12 LEU 17 -18.333 -0.242 2.060 124 HD13 LEU 17 HD13 LEU 17 -19.793 0.159 2.958 125 HD21 LEU 17 HD21 LEU 17 -18.246 2.006 4.028 126 HD22 LEU 17 HD22 LEU 17 -16.913 1.326 3.094 127 HD23 LEU 17 HD23 LEU 17 -16.785 1.456 4.849 128 H ARG 18 H ARG 18 -18.112 -1.946 7.636 129 HA ARG 18 HA ARG 18 -16.525 -3.994 6.499 130 HB2 ARG 18 HB2 ARG 18 -15.751 -4.403 8.828 131 HB3 ARG 18 HB3 ARG 18 -15.603 -2.730 8.316 132 HG2 ARG 18 HG2 ARG 18 -17.716 -2.245 9.538 133 HG3 ARG 18 HG3 ARG 18 -17.674 -3.897 10.156 134 HD2 ARG 18 HD2 ARG 18 -15.478 -1.863 10.538 135 HD3 ARG 18 HD3 ARG 18 -16.728 -2.219 11.727 136 HE ARG 18 HE ARG 18 -15.794 -4.585 11.617 137 HH11 ARG 18 HH11 ARG 18 -13.831 -1.735 11.072 138 HH12 ARG 18 HH12 ARG 18 -12.381 -2.462 11.684 139 HH21 ARG 18 HH21 ARG 18 -13.879 -5.541 12.433 140 HH22 ARG 18 HH22 ARG 18 -12.408 -4.620 12.469 141 H GLU 19 H GLU 19 -19.484 -3.931 8.363 142 HA GLU 19 HA GLU 19 -19.850 -6.541 9.051 143 HB2 GLU 19 HB2 GLU 19 -21.457 -4.828 9.612 144 HB3 GLU 19 HB3 GLU 19 -21.876 -4.635 7.917 145 HG2 GLU 19 HG2 GLU 19 -23.592 -5.867 9.076 146 HG3 GLU 19 HG3 GLU 19 -22.799 -6.889 7.883 147 H LEU 20 H LEU 20 -20.524 -5.024 5.939 148 HA LEU 20 HA LEU 20 -21.467 -7.303 4.584 149 HB2 LEU 20 HB2 LEU 20 -21.016 -4.572 4.040 150 HB3 LEU 20 HB3 LEU 20 -20.135 -5.466 2.822 151 HG LEU 20 HG LEU 20 -22.280 -4.944 1.939 152 HD11 LEU 20 HD11 LEU 20 -21.493 -7.123 1.317 153 HD12 LEU 20 HD12 LEU 20 -23.239 -7.188 1.549 154 HD13 LEU 20 HD13 LEU 20 -22.162 -7.828 2.786 155 HD21 LEU 20 HD21 LEU 20 -23.418 -6.151 4.450 156 HD22 LEU 20 HD22 LEU 20 -24.361 -5.698 3.031 157 HD23 LEU 20 HD23 LEU 20 -23.497 -4.461 3.941 158 H TYR 21 H TYR 21 -18.232 -5.910 4.904 159 HA TYR 21 HA TYR 21 -17.035 -7.534 2.890 160 HB2 TYR 21 HB2 TYR 21 -16.068 -5.379 3.467 161 HB3 TYR 21 HB3 TYR 21 -15.815 -5.902 5.125 162 HD1 TYR 21 HD1 TYR 21 -13.849 -7.047 5.747 163 HD2 TYR 21 HD2 TYR 21 -14.724 -6.500 1.621 164 HE1 TYR 21 HE1 TYR 21 -11.596 -7.848 5.167 165 HE2 TYR 21 HE2 TYR 21 -12.478 -7.298 1.031 166 HH TYR 21 HH TYR 21 -10.237 -7.453 2.104 167 H LEU 22 H LEU 22 -17.097 -7.615 6.415 168 HA LEU 22 HA LEU 22 -15.324 -9.782 6.723 169 HB2 LEU 22 HB2 LEU 22 -17.538 -8.970 8.602 170 HB3 LEU 22 HB3 LEU 22 -16.077 -9.845 9.006 171 HG LEU 22 HG LEU 22 -16.211 -6.974 8.094 172 HD11 LEU 22 HD11 LEU 22 -15.476 -6.461 10.370 173 HD12 LEU 22 HD12 LEU 22 -15.634 -8.166 10.795 174 HD13 LEU 22 HD13 LEU 22 -17.060 -7.236 10.334 175 HD21 LEU 22 HD21 LEU 22 -14.157 -8.170 7.384 176 HD22 LEU 22 HD22 LEU 22 -13.820 -8.514 9.080 177 HD23 LEU 22 HD23 LEU 22 -13.865 -6.845 8.508 178 H ALA 23 H ALA 23 -18.712 -9.637 5.975 179 HA ALA 23 HA ALA 23 -19.187 -12.421 6.589 180 HB1 ALA 23 HB1 ALA 23 -20.910 -10.412 5.143 181 HB2 ALA 23 HB2 ALA 23 -20.979 -10.797 6.862 182 HB3 ALA 23 HB3 ALA 23 -21.421 -12.016 5.667 183 H ASN 24 H ASN 24 -18.720 -10.462 3.653 184 HA ASN 24 HA ASN 24 -19.145 -12.824 2.007 185 HB2 ASN 24 HB2 ASN 24 -18.854 -9.900 1.332 186 HB3 ASN 24 HB3 ASN 24 -18.964 -11.162 0.107 187 HD21 ASN 24 HD21 ASN 24 -20.638 -9.505 2.672 188 HD22 ASN 24 HD22 ASN 24 -22.232 -10.019 2.233 189 H LYS 25 H LYS 25 -16.541 -11.729 3.589 190 HA LYS 25 HA LYS 25 -14.623 -12.218 1.472 191 HB2 LYS 25 HB2 LYS 25 -12.907 -11.944 3.170 192 HB3 LYS 25 HB3 LYS 25 -14.074 -10.638 3.295 193 HG2 LYS 25 HG2 LYS 25 -15.155 -11.869 5.164 194 HG3 LYS 25 HG3 LYS 25 -13.839 -13.041 5.090 195 HD2 LYS 25 HD2 LYS 25 -13.511 -10.078 5.573 196 HD3 LYS 25 HD3 LYS 25 -13.477 -11.319 6.824 197 HE2 LYS 25 HE2 LYS 25 -11.581 -11.223 4.484 198 HE3 LYS 25 HE3 LYS 25 -11.229 -10.530 6.063 199 HZ1 LYS 25 HZ1 LYS 25 -10.313 -12.790 5.709 200 HZ2 LYS 25 HZ2 LYS 25 -11.891 -13.390 5.632 201 HZ3 LYS 25 HZ3 LYS 25 -11.328 -12.673 7.056 202 H ASP 26 H ASP 26 -16.559 -14.012 3.485 203 HA ASP 26 HA ASP 26 -14.822 -16.281 3.879 204 HB2 ASP 26 HB2 ASP 26 -16.577 -15.648 5.515 205 HB3 ASP 26 HB3 ASP 26 -17.809 -15.989 4.305 206 H VAL 27 H VAL 27 -16.893 -15.139 1.438 207 HA VAL 27 HA VAL 27 -17.504 -17.759 0.356 208 HB VAL 27 HB VAL 27 -19.262 -15.995 0.386 209 HG11 VAL 27 HG11 VAL 27 -19.144 -14.174 -1.229 210 HG12 VAL 27 HG12 VAL 27 -17.498 -14.657 -1.635 211 HG13 VAL 27 HG13 VAL 27 -17.870 -14.071 -0.015 212 HG21 VAL 27 HG21 VAL 27 -19.452 -17.824 -1.193 213 HG22 VAL 27 HG22 VAL 27 -18.446 -16.955 -2.350 214 HG23 VAL 27 HG23 VAL 27 -20.037 -16.328 -1.920 215 H GLU 28 H GLU 28 -16.620 -18.597 -1.471 216 HA GLU 28 HA GLU 28 -14.468 -17.022 -2.708 217 HB2 GLU 28 HB2 GLU 28 -14.703 -20.012 -2.375 218 HB3 GLU 28 HB3 GLU 28 -13.436 -19.206 -3.289 219 HG2 GLU 28 HG2 GLU 28 -12.735 -18.037 -1.247 220 HG3 GLU 28 HG3 GLU 28 -13.963 -18.922 -0.339 221 H GLY 29 H GLY 29 -14.332 -16.894 -4.901 222 HA2 GLY 29 HA2 GLY 29 -14.937 -17.359 -7.130 223 HA3 GLY 29 HA3 GLY 29 -16.262 -18.356 -6.540 224 H GLN 30 H GLN 30 -16.141 -15.512 -4.836 225 HA GLN 30 HA GLN 30 -18.092 -14.217 -6.603 226 HB2 GLN 30 HB2 GLN 30 -19.478 -15.094 -4.953 227 HB3 GLN 30 HB3 GLN 30 -18.281 -14.875 -3.686 228 HG2 GLN 30 HG2 GLN 30 -18.620 -12.459 -3.783 229 HG3 GLN 30 HG3 GLN 30 -19.827 -12.681 -5.044 230 HE21 GLN 30 HE21 GLN 30 -19.798 -11.637 -2.214 231 HE22 GLN 30 HE22 GLN 30 -21.168 -12.384 -1.499 232 H ASP 31 H ASP 31 -18.115 -12.006 -6.621 233 HA ASP 31 HA ASP 31 -15.803 -10.534 -5.888 234 HB2 ASP 31 HB2 ASP 31 -18.601 -9.634 -6.602 235 HB3 ASP 31 HB3 ASP 31 -17.210 -8.558 -6.466 236 H VAL 32 H VAL 32 -15.311 -10.197 -3.735 237 HA VAL 32 HA VAL 32 -17.341 -9.935 -1.755 238 HB VAL 32 HB VAL 32 -14.956 -10.589 -1.242 239 HG11 VAL 32 HG11 VAL 32 -14.500 -7.630 -1.611 240 HG12 VAL 32 HG12 VAL 32 -13.749 -8.949 -2.516 241 HG13 VAL 32 HG13 VAL 32 -13.370 -8.728 -0.808 242 HG21 VAL 32 HG21 VAL 32 -16.517 -10.019 0.517 243 HG22 VAL 32 HG22 VAL 32 -16.152 -8.304 0.322 244 HG23 VAL 32 HG23 VAL 32 -14.911 -9.409 0.915 245 H VAL 33 H VAL 33 -15.399 -7.655 -3.596 246 HA VAL 33 HA VAL 33 -16.121 -5.262 -2.422 247 HB VAL 33 HB VAL 33 -15.775 -5.568 -5.384 248 HG11 VAL 33 HG11 VAL 33 -14.601 -3.415 -5.158 249 HG12 VAL 33 HG12 VAL 33 -14.998 -3.415 -3.440 250 HG13 VAL 33 HG13 VAL 33 -16.286 -3.357 -4.643 251 HG21 VAL 33 HG21 VAL 33 -13.296 -5.372 -4.944 252 HG22 VAL 33 HG22 VAL 33 -14.040 -6.932 -4.597 253 HG23 VAL 33 HG23 VAL 33 -13.657 -5.828 -3.278 254 H GLU 34 H GLU 34 -17.438 -6.741 -5.352 255 HA GLU 34 HA GLU 34 -19.466 -4.807 -5.639 256 HB2 GLU 34 HB2 GLU 34 -18.381 -6.303 -7.425 257 HB3 GLU 34 HB3 GLU 34 -19.530 -7.530 -6.904 258 HG2 GLU 34 HG2 GLU 34 -21.373 -6.109 -7.473 259 HG3 GLU 34 HG3 GLU 34 -20.281 -4.785 -7.864 260 H ALA 35 H ALA 35 -19.250 -7.783 -3.885 261 HA ALA 35 HA ALA 35 -21.992 -8.245 -3.415 262 HB1 ALA 35 HB1 ALA 35 -19.673 -8.688 -1.530 263 HB2 ALA 35 HB2 ALA 35 -20.217 -9.827 -2.764 264 HB3 ALA 35 HB3 ALA 35 -21.273 -9.425 -1.408 265 H ILE 36 H ILE 36 -19.557 -6.411 -1.661 266 HA ILE 36 HA ILE 36 -21.210 -5.325 0.314 267 HB ILE 36 HB ILE 36 -18.752 -4.057 -0.888 268 HG12 ILE 36 HG12 ILE 36 -18.971 -6.052 1.370 269 HG13 ILE 36 HG13 ILE 36 -18.358 -6.398 -0.240 270 HG21 ILE 36 HG21 ILE 36 -18.508 -3.109 1.387 271 HG22 ILE 36 HG22 ILE 36 -20.088 -3.780 1.793 272 HG23 ILE 36 HG23 ILE 36 -19.947 -2.554 0.537 273 HD11 ILE 36 HD11 ILE 36 -16.534 -4.836 0.105 274 HD12 ILE 36 HD12 ILE 36 -16.560 -6.093 1.342 275 HD13 ILE 36 HD13 ILE 36 -17.149 -4.475 1.719 276 H LEU 37 H LEU 37 -20.023 -3.884 -2.716 277 HA LEU 37 HA LEU 37 -21.321 -1.422 -2.546 278 HB2 LEU 37 HB2 LEU 37 -21.168 -2.810 -5.181 279 HB3 LEU 37 HB3 LEU 37 -20.901 -1.128 -4.819 280 HG LEU 37 HG LEU 37 -18.987 -3.346 -4.094 281 HD11 LEU 37 HD11 LEU 37 -17.667 -2.690 -5.959 282 HD12 LEU 37 HD12 LEU 37 -18.739 -1.341 -6.314 283 HD13 LEU 37 HD13 LEU 37 -19.301 -2.993 -6.554 284 HD21 LEU 37 HD21 LEU 37 -18.790 -1.410 -2.664 285 HD22 LEU 37 HD22 LEU 37 -18.704 -0.354 -4.073 286 HD23 LEU 37 HD23 LEU 37 -17.412 -1.513 -3.758 287 H ALA 38 H ALA 38 -22.613 -4.534 -3.328 288 HA ALA 38 HA ALA 38 -24.972 -3.494 -4.658 289 HB1 ALA 38 HB1 ALA 38 -25.492 -5.818 -5.095 290 HB2 ALA 38 HB2 ALA 38 -24.179 -6.320 -4.026 291 HB3 ALA 38 HB3 ALA 38 -23.817 -5.463 -5.524 292 H HIS 39 H HIS 39 -24.182 -5.195 -1.640 293 HA HIS 39 HA HIS 39 -26.943 -5.697 -1.016 294 HB2 HIS 39 HB2 HIS 39 -24.382 -6.024 0.521 295 HB3 HIS 39 HB3 HIS 39 -25.938 -6.229 1.311 296 HD1 HIS 39 HD1 HIS 39 -27.183 -8.409 0.909 297 HD2 HIS 39 HD2 HIS 39 -23.757 -8.028 -1.416 298 HE1 HIS 39 HE1 HIS 39 -26.776 -10.682 -0.081 299 HE2 HIS 39 HE2 HIS 39 -24.611 -10.469 -1.344 300 H LEU 40 H LEU 40 -24.625 -3.216 -0.336 301 HA LEU 40 HA LEU 40 -26.196 -1.966 1.726 302 HB2 LEU 40 HB2 LEU 40 -23.926 -0.819 0.111 303 HB3 LEU 40 HB3 LEU 40 -24.570 -0.186 1.612 304 HG LEU 40 HG LEU 40 -23.392 -2.931 1.535 305 HD11 LEU 40 HD11 LEU 40 -21.241 -1.896 2.164 306 HD12 LEU 40 HD12 LEU 40 -21.919 -0.316 1.763 307 HD13 LEU 40 HD13 LEU 40 -21.733 -1.545 0.506 308 HD21 LEU 40 HD21 LEU 40 -22.890 -2.394 3.870 309 HD22 LEU 40 HD22 LEU 40 -24.614 -2.245 3.529 310 HD23 LEU 40 HD23 LEU 40 -23.612 -0.799 3.658 311 H ASN 41 H ASN 41 -28.204 -1.825 0.517 312 HA ASN 41 HA ASN 41 -28.269 0.154 -1.614 313 HB2 ASN 41 HB2 ASN 41 -30.433 -1.490 -0.274 314 HB3 ASN 41 HB3 ASN 41 -30.768 -0.285 -1.512 315 HD21 ASN 41 HD21 ASN 41 -29.443 -3.420 -0.846 316 HD22 ASN 41 HD22 ASN 41 -29.261 -3.923 -2.489 317 H THR 42 H THR 42 -27.278 0.946 0.885 318 HA THR 42 HA THR 42 -29.311 2.837 1.828 319 HB THR 42 HB THR 42 -28.485 1.459 3.627 320 HG1 THR 42 HG1 THR 42 -27.423 3.167 4.932 321 HG21 THR 42 HG21 THR 42 -25.701 2.379 2.904 322 HG22 THR 42 HG22 THR 42 -26.360 0.777 2.574 323 HG23 THR 42 HG23 THR 42 -26.139 1.312 4.241 324 H VAL 43 H VAL 43 -26.190 2.499 0.326 325 HA VAL 43 HA VAL 43 -25.866 5.422 0.326 326 HB VAL 43 HB VAL 43 -23.350 4.911 0.193 327 HG11 VAL 43 HG11 VAL 43 -24.438 5.952 2.119 328 HG12 VAL 43 HG12 VAL 43 -23.119 4.886 2.597 329 HG13 VAL 43 HG13 VAL 43 -24.793 4.353 2.776 330 HG21 VAL 43 HG21 VAL 43 -23.465 2.527 -0.191 331 HG22 VAL 43 HG22 VAL 43 -24.333 2.295 1.327 332 HG23 VAL 43 HG23 VAL 43 -22.656 2.840 1.346 333 HA PRO 44 HA PRO 44 -25.655 4.503 -4.126 334 HB2 PRO 44 HB2 PRO 44 -26.309 7.330 -4.407 335 HB3 PRO 44 HB3 PRO 44 -27.214 5.922 -4.969 336 HG2 PRO 44 HG2 PRO 44 -28.081 7.522 -2.953 337 HG3 PRO 44 HG3 PRO 44 -28.461 5.794 -3.047 338 HD2 PRO 44 HD2 PRO 44 -26.398 7.191 -1.386 339 HD3 PRO 44 HD3 PRO 44 -27.476 5.848 -0.949 340 H ARG 45 H ARG 45 -23.380 4.290 -3.928 341 HA ARG 45 HA ARG 45 -21.882 6.763 -4.466 342 HB2 ARG 45 HB2 ARG 45 -20.787 4.550 -2.722 343 HB3 ARG 45 HB3 ARG 45 -20.131 6.165 -2.960 344 HG2 ARG 45 HG2 ARG 45 -22.066 7.108 -1.789 345 HG3 ARG 45 HG3 ARG 45 -22.691 5.481 -1.534 346 HD2 ARG 45 HD2 ARG 45 -21.620 6.047 0.474 347 HD3 ARG 45 HD3 ARG 45 -20.483 4.988 -0.360 348 HE ARG 45 HE ARG 45 -19.074 6.808 -0.706 349 HH11 ARG 45 HH11 ARG 45 -22.014 7.755 0.909 350 HH12 ARG 45 HH12 ARG 45 -21.460 9.350 1.308 351 HH21 ARG 45 HH21 ARG 45 -18.306 8.935 -0.191 352 HH22 ARG 45 HH22 ARG 45 -19.348 10.016 0.682 353 H THR 46 H THR 46 -19.521 6.031 -5.185 354 HA THR 46 HA THR 46 -19.988 4.139 -7.344 355 HB THR 46 HB THR 46 -18.729 6.334 -7.678 356 HG1 THR 46 HG1 THR 46 -18.631 4.777 -9.283 357 HG21 THR 46 HG21 THR 46 -17.251 6.219 -5.747 358 HG22 THR 46 HG22 THR 46 -16.304 6.256 -7.236 359 HG23 THR 46 HG23 THR 46 -16.528 4.738 -6.366 360 H ARG 47 H ARG 47 -17.862 2.757 -7.816 361 HA ARG 47 HA ARG 47 -18.042 0.693 -5.882 362 HB2 ARG 47 HB2 ARG 47 -15.895 0.829 -7.991 363 HB3 ARG 47 HB3 ARG 47 -16.695 -0.591 -7.334 364 HG2 ARG 47 HG2 ARG 47 -17.824 1.427 -9.261 365 HG3 ARG 47 HG3 ARG 47 -17.484 -0.276 -9.553 366 HD2 ARG 47 HD2 ARG 47 -19.259 -0.951 -8.100 367 HD3 ARG 47 HD3 ARG 47 -19.511 0.704 -7.549 368 HE ARG 47 HE ARG 47 -19.873 0.199 -10.391 369 HH11 ARG 47 HH11 ARG 47 -21.370 0.601 -7.244 370 HH12 ARG 47 HH12 ARG 47 -22.942 0.930 -7.891 371 HH21 ARG 47 HH21 ARG 47 -21.937 0.637 -11.244 372 HH22 ARG 47 HH22 ARG 47 -23.269 0.941 -10.171 373 H LYS 48 H LYS 48 -15.541 2.998 -6.734 374 HA LYS 48 HA LYS 48 -13.476 2.166 -5.073 375 HB2 LYS 48 HB2 LYS 48 -12.840 3.759 -6.606 376 HB3 LYS 48 HB3 LYS 48 -14.281 4.732 -6.350 377 HG2 LYS 48 HG2 LYS 48 -13.404 5.581 -4.282 378 HG3 LYS 48 HG3 LYS 48 -12.010 4.527 -4.391 379 HD2 LYS 48 HD2 LYS 48 -11.292 6.656 -5.109 380 HD3 LYS 48 HD3 LYS 48 -11.462 5.673 -6.567 381 HE2 LYS 48 HE2 LYS 48 -13.745 6.612 -6.838 382 HE3 LYS 48 HE3 LYS 48 -13.402 7.691 -5.492 383 HZ1 LYS 48 HZ1 LYS 48 -11.891 7.592 -8.047 384 HZ2 LYS 48 HZ2 LYS 48 -11.571 8.632 -6.752 385 HZ3 LYS 48 HZ3 LYS 48 -13.015 8.778 -7.615 386 H GLN 49 H GLN 49 -16.340 4.022 -4.297 387 HA GLN 49 HA GLN 49 -15.392 5.313 -2.005 388 HB2 GLN 49 HB2 GLN 49 -17.948 4.926 -3.316 389 HB3 GLN 49 HB3 GLN 49 -18.105 4.952 -1.562 390 HG2 GLN 49 HG2 GLN 49 -18.366 7.171 -2.345 391 HG3 GLN 49 HG3 GLN 49 -16.810 7.055 -1.547 392 HE21 GLN 49 HE21 GLN 49 -18.485 7.792 -4.411 393 HE22 GLN 49 HE22 GLN 49 -17.098 8.215 -5.360 394 H ILE 50 H ILE 50 -17.227 2.271 -2.268 395 HA ILE 50 HA ILE 50 -17.205 1.656 0.477 396 HB ILE 50 HB ILE 50 -17.488 0.016 -2.007 397 HG12 ILE 50 HG12 ILE 50 -19.641 -0.594 -0.609 398 HG13 ILE 50 HG13 ILE 50 -19.241 0.889 0.250 399 HG21 ILE 50 HG21 ILE 50 -16.175 -1.435 -0.609 400 HG22 ILE 50 HG22 ILE 50 -17.837 -2.021 -0.659 401 HG23 ILE 50 HG23 ILE 50 -17.251 -1.149 0.759 402 HD11 ILE 50 HD11 ILE 50 -19.259 2.064 -1.965 403 HD12 ILE 50 HD12 ILE 50 -20.816 1.428 -1.435 404 HD13 ILE 50 HD13 ILE 50 -19.892 0.569 -2.671 405 H ILE 51 H ILE 51 -15.025 0.747 -2.138 406 HA ILE 51 HA ILE 51 -13.299 -0.962 -0.813 407 HB ILE 51 HB ILE 51 -12.638 1.019 -2.998 408 HG12 ILE 51 HG12 ILE 51 -13.382 -1.909 -3.144 409 HG13 ILE 51 HG13 ILE 51 -14.445 -0.568 -3.554 410 HG21 ILE 51 HG21 ILE 51 -11.119 -1.437 -2.124 411 HG22 ILE 51 HG22 ILE 51 -10.616 0.235 -1.872 412 HG23 ILE 51 HG23 ILE 51 -10.728 -0.415 -3.507 413 HD11 ILE 51 HD11 ILE 51 -13.506 -1.604 -5.537 414 HD12 ILE 51 HD12 ILE 51 -11.876 -1.270 -4.952 415 HD13 ILE 51 HD13 ILE 51 -12.953 0.063 -5.371 416 H HIS 52 H HIS 52 -13.192 2.548 -1.056 417 HA HIS 52 HA HIS 52 -10.645 2.879 0.058 418 HB2 HIS 52 HB2 HIS 52 -12.921 4.637 -0.584 419 HB3 HIS 52 HB3 HIS 52 -11.800 5.244 0.633 420 HD1 HIS 52 HD1 HIS 52 -10.412 6.883 -0.593 421 HD2 HIS 52 HD2 HIS 52 -10.875 3.332 -2.710 422 HE1 HIS 52 HE1 HIS 52 -8.861 7.055 -2.558 423 HE2 HIS 52 HE2 HIS 52 -9.082 4.864 -3.768 424 H HIS 53 H HIS 53 -13.849 3.006 1.642 425 HA HIS 53 HA HIS 53 -12.765 3.776 4.158 426 HB2 HIS 53 HB2 HIS 53 -15.380 2.435 3.493 427 HB3 HIS 53 HB3 HIS 53 -14.956 3.024 5.094 428 HD1 HIS 53 HD1 HIS 53 -14.100 5.752 4.850 429 HD2 HIS 53 HD2 HIS 53 -16.951 4.190 2.257 430 HE1 HIS 53 HE1 HIS 53 -15.297 7.741 3.904 431 HE2 HIS 53 HE2 HIS 53 -17.100 6.783 2.434 432 H LEU 54 H LEU 54 -12.936 0.768 2.538 433 HA LEU 54 HA LEU 54 -12.881 -0.881 4.889 434 HB2 LEU 54 HB2 LEU 54 -12.398 -1.472 1.972 435 HB3 LEU 54 HB3 LEU 54 -12.298 -2.697 3.221 436 HG LEU 54 HG LEU 54 -14.779 -1.081 2.621 437 HD11 LEU 54 HD11 LEU 54 -15.618 -3.111 1.558 438 HD12 LEU 54 HD12 LEU 54 -14.068 -3.904 1.836 439 HD13 LEU 54 HD13 LEU 54 -14.168 -2.524 0.743 440 HD21 LEU 54 HD21 LEU 54 -14.386 -3.561 4.304 441 HD22 LEU 54 HD22 LEU 54 -15.910 -2.721 4.019 442 HD23 LEU 54 HD23 LEU 54 -14.625 -1.931 4.933 443 H VAL 55 H VAL 55 -10.503 -0.031 2.386 444 HA VAL 55 HA VAL 55 -8.366 -1.349 3.749 445 HB VAL 55 HB VAL 55 -6.929 -0.568 2.043 446 HG11 VAL 55 HG11 VAL 55 -8.497 -2.239 1.293 447 HG12 VAL 55 HG12 VAL 55 -8.161 -1.108 -0.017 448 HG13 VAL 55 HG13 VAL 55 -9.675 -0.993 0.880 449 HG21 VAL 55 HG21 VAL 55 -7.479 1.799 2.092 450 HG22 VAL 55 HG22 VAL 55 -9.030 1.471 1.319 451 HG23 VAL 55 HG23 VAL 55 -7.529 1.183 0.440 452 H GLN 56 H GLN 56 -9.764 1.793 3.856 453 HA GLN 56 HA GLN 56 -7.552 3.025 5.223 454 HB2 GLN 56 HB2 GLN 56 -10.335 3.865 4.498 455 HB3 GLN 56 HB3 GLN 56 -9.413 4.810 5.644 456 HG2 GLN 56 HG2 GLN 56 -7.635 5.070 3.928 457 HG3 GLN 56 HG3 GLN 56 -8.664 4.203 2.788 458 HE21 GLN 56 HE21 GLN 56 -10.551 5.174 2.063 459 HE22 GLN 56 HE22 GLN 56 -10.800 6.883 2.152 460 H MET 57 H MET 57 -10.222 1.059 6.115 461 HA MET 57 HA MET 57 -10.241 2.026 8.855 462 HB2 MET 57 HB2 MET 57 -12.300 1.181 7.534 463 HB3 MET 57 HB3 MET 57 -11.687 -0.425 7.899 464 HG2 MET 57 HG2 MET 57 -11.748 0.173 10.314 465 HG3 MET 57 HG3 MET 57 -12.532 1.685 9.870 466 HE1 MET 57 HE1 MET 57 -15.847 0.269 8.181 467 HE2 MET 57 HE2 MET 57 -14.313 0.370 7.314 468 HE3 MET 57 HE3 MET 57 -14.817 1.686 8.377 469 H GLY 58 H GLY 58 -8.311 0.050 7.092 470 HA2 GLY 58 HA2 GLY 58 -6.482 -1.157 7.828 471 HA3 GLY 58 HA3 GLY 58 -7.063 -0.970 9.475 472 H LEU 59 H LEU 59 -9.536 -2.142 7.574 473 HA LEU 59 HA LEU 59 -9.114 -4.828 8.615 474 HB2 LEU 59 HB2 LEU 59 -11.457 -5.227 7.909 475 HB3 LEU 59 HB3 LEU 59 -11.275 -3.930 9.071 476 HG LEU 59 HG LEU 59 -11.283 -2.410 6.934 477 HD11 LEU 59 HD11 LEU 59 -12.830 -4.804 5.971 478 HD12 LEU 59 HD12 LEU 59 -11.263 -4.286 5.346 479 HD13 LEU 59 HD13 LEU 59 -12.676 -3.246 5.160 480 HD21 LEU 59 HD21 LEU 59 -13.711 -2.211 7.141 481 HD22 LEU 59 HD22 LEU 59 -12.913 -2.304 8.711 482 HD23 LEU 59 HD23 LEU 59 -13.743 -3.717 8.060 483 H ALA 60 H ALA 60 -8.946 -3.051 5.706 484 HA ALA 60 HA ALA 60 -8.422 -5.555 4.237 485 HB1 ALA 60 HB1 ALA 60 -9.323 -2.871 3.201 486 HB2 ALA 60 HB2 ALA 60 -10.226 -4.385 3.173 487 HB3 ALA 60 HB3 ALA 60 -8.782 -4.193 2.173 488 H ASP 61 H ASP 61 -6.682 -5.362 2.603 489 HA ASP 61 HA ASP 61 -4.370 -4.193 3.841 490 HB2 ASP 61 HB2 ASP 61 -4.286 -6.396 2.711 491 HB3 ASP 61 HB3 ASP 61 -4.602 -5.593 1.175 492 H SER 62 H SER 62 -5.649 -3.920 0.514 493 HA SER 62 HA SER 62 -5.271 -1.062 0.579 494 HB2 SER 62 HB2 SER 62 -3.739 -1.049 -1.342 495 HB3 SER 62 HB3 SER 62 -3.007 -1.793 0.076 496 HG SER 62 HG SER 62 -3.961 -3.830 -0.989 497 H VAL 63 H VAL 63 -5.617 -0.188 -1.729 498 HA VAL 63 HA VAL 63 -8.176 -0.984 -2.606 499 HB VAL 63 HB VAL 63 -6.109 0.877 -3.788 500 HG11 VAL 63 HG11 VAL 63 -8.910 0.362 -4.784 501 HG12 VAL 63 HG12 VAL 63 -7.405 0.031 -5.646 502 HG13 VAL 63 HG13 VAL 63 -7.877 1.696 -5.298 503 HG21 VAL 63 HG21 VAL 63 -8.722 1.333 -2.360 504 HG22 VAL 63 HG22 VAL 63 -7.721 2.601 -3.069 505 HG23 VAL 63 HG23 VAL 63 -7.103 1.636 -1.729 506 H LYS 64 H LYS 64 -4.949 -1.828 -3.566 507 HA LYS 64 HA LYS 64 -5.308 -2.692 -6.185 508 HB2 LYS 64 HB2 LYS 64 -3.536 -4.091 -4.211 509 HB3 LYS 64 HB3 LYS 64 -3.288 -3.888 -5.925 510 HG2 LYS 64 HG2 LYS 64 -2.934 -1.493 -5.603 511 HG3 LYS 64 HG3 LYS 64 -3.176 -1.702 -3.869 512 HD2 LYS 64 HD2 LYS 64 -1.064 -3.235 -5.360 513 HD3 LYS 64 HD3 LYS 64 -0.762 -1.612 -4.748 514 HE2 LYS 64 HE2 LYS 64 0.062 -3.245 -3.173 515 HE3 LYS 64 HE3 LYS 64 -1.307 -2.393 -2.475 516 HZ1 LYS 64 HZ1 LYS 64 -1.616 -5.019 -3.797 517 HZ2 LYS 64 HZ2 LYS 64 -2.669 -4.257 -2.711 518 HZ3 LYS 64 HZ3 LYS 64 -1.201 -4.886 -2.165 519 H ASP 65 H ASP 65 -5.847 -4.344 -3.144 520 HA ASP 65 HA ASP 65 -6.181 -6.954 -4.137 521 HB2 ASP 65 HB2 ASP 65 -7.348 -5.696 -1.652 522 HB3 ASP 65 HB3 ASP 65 -7.187 -7.424 -1.949 523 H PHE 66 H PHE 66 -8.231 -4.213 -4.069 524 HA PHE 66 HA PHE 66 -10.610 -5.783 -4.763 525 HB2 PHE 66 HB2 PHE 66 -10.271 -2.814 -4.260 526 HB3 PHE 66 HB3 PHE 66 -11.800 -3.625 -4.561 527 HD1 PHE 66 HD1 PHE 66 -13.107 -4.028 -2.749 528 HD2 PHE 66 HD2 PHE 66 -8.891 -3.924 -2.228 529 HE1 PHE 66 HE1 PHE 66 -13.401 -4.371 -0.332 530 HE2 PHE 66 HE2 PHE 66 -9.174 -4.267 0.189 531 HZ PHE 66 HZ PHE 66 -11.435 -4.487 1.143 532 H GLN 67 H GLN 67 -8.614 -3.110 -5.893 533 HA GLN 67 HA GLN 67 -9.223 -3.747 -8.665 534 HB2 GLN 67 HB2 GLN 67 -9.739 -1.062 -7.373 535 HB3 GLN 67 HB3 GLN 67 -9.593 -1.281 -9.117 536 HG2 GLN 67 HG2 GLN 67 -11.472 -2.928 -8.975 537 HG3 GLN 67 HG3 GLN 67 -11.678 -2.453 -7.286 538 HE21 GLN 67 HE21 GLN 67 -13.753 -1.690 -7.679 539 HE22 GLN 67 HE22 GLN 67 -14.042 -0.209 -8.522 540 H ARG 68 H ARG 68 -7.199 -4.239 -9.233 541 HA ARG 68 HA ARG 68 -4.853 -2.950 -8.399 542 HB2 ARG 68 HB2 ARG 68 -5.472 -4.610 -10.835 543 HB3 ARG 68 HB3 ARG 68 -3.858 -4.027 -10.459 544 HG2 ARG 68 HG2 ARG 68 -5.398 -5.612 -8.450 545 HG3 ARG 68 HG3 ARG 68 -4.533 -6.417 -9.761 546 HD2 ARG 68 HD2 ARG 68 -3.315 -4.506 -7.770 547 HD3 ARG 68 HD3 ARG 68 -3.180 -6.264 -7.716 548 HE ARG 68 HE ARG 68 -2.307 -5.331 -10.225 549 HH11 ARG 68 HH11 ARG 68 -1.293 -5.384 -6.874 550 HH12 ARG 68 HH12 ARG 68 0.394 -5.285 -7.257 551 HH21 ARG 68 HH21 ARG 68 -0.088 -5.229 -10.728 552 HH22 ARG 68 HH22 ARG 68 1.080 -5.218 -9.446 553 H LYS 69 H LYS 69 -5.456 -0.709 -8.587 554 HA LYS 69 HA LYS 69 -4.436 0.337 -11.107 555 HB2 LYS 69 HB2 LYS 69 -6.869 0.576 -11.340 556 HB3 LYS 69 HB3 LYS 69 -6.947 1.395 -9.784 557 HG2 LYS 69 HG2 LYS 69 -5.541 3.200 -10.683 558 HG3 LYS 69 HG3 LYS 69 -5.538 2.396 -12.252 559 HD2 LYS 69 HD2 LYS 69 -7.969 2.634 -12.378 560 HD3 LYS 69 HD3 LYS 69 -7.973 3.429 -10.799 561 HE2 LYS 69 HE2 LYS 69 -6.574 5.214 -11.688 562 HE3 LYS 69 HE3 LYS 69 -6.538 4.420 -13.259 563 HZ1 LYS 69 HZ1 LYS 69 -8.153 6.201 -13.207 564 HZ2 LYS 69 HZ2 LYS 69 -8.959 5.475 -11.912 565 HZ3 LYS 69 HZ3 LYS 69 -8.925 4.712 -13.420 566 H GLY 70 H GLY 70 -5.719 1.352 -7.945 567 HA2 GLY 70 HA2 GLY 70 -3.819 3.406 -7.531 568 HA3 GLY 70 HA3 GLY 70 -4.799 2.640 -6.285 569 H THR 71 H THR 71 -1.735 2.851 -7.755 570 HA THR 71 HA THR 71 -0.504 0.478 -7.018 571 HB THR 71 HB THR 71 1.611 1.938 -6.931 572 HG1 THR 71 HG1 THR 71 1.300 4.025 -6.941 573 HG21 THR 71 HG21 THR 71 1.617 2.262 -9.360 574 HG22 THR 71 HG22 THR 71 -0.131 2.038 -9.401 575 HG23 THR 71 HG23 THR 71 0.918 0.699 -8.936 576 H HIS 72 H HIS 72 0.759 -0.142 -5.234 577 HA HIS 72 HA HIS 72 -0.038 0.890 -2.687 578 HB2 HIS 72 HB2 HIS 72 1.133 -0.870 -1.765 579 HB3 HIS 72 HB3 HIS 72 0.952 -1.498 -3.396 580 HD1 HIS 72 HD1 HIS 72 3.137 -1.033 -5.000 581 HD2 HIS 72 HD2 HIS 72 3.695 -0.699 -0.901 582 HE1 HIS 72 HE1 HIS 72 5.618 -1.083 -4.637 583 HE2 HIS 72 HE2 HIS 72 5.885 -1.275 -2.152 584 H ILE 73 H ILE 73 2.226 1.694 -5.030 585 HA ILE 73 HA ILE 73 4.286 2.758 -3.467 586 HB ILE 73 HB ILE 73 3.560 2.753 -6.301 587 HG12 ILE 73 HG12 ILE 73 5.263 1.288 -5.321 588 HG13 ILE 73 HG13 ILE 73 5.951 2.327 -6.565 589 HG21 ILE 73 HG21 ILE 73 5.345 4.588 -6.723 590 HG22 ILE 73 HG22 ILE 73 4.865 5.151 -5.121 591 HG23 ILE 73 HG23 ILE 73 3.671 5.042 -6.407 592 HD11 ILE 73 HD11 ILE 73 6.206 2.673 -3.586 593 HD12 ILE 73 HD12 ILE 73 6.798 3.822 -4.784 594 HD13 ILE 73 HD13 ILE 73 7.470 2.193 -4.718 595 H VAL 74 H VAL 74 4.122 4.278 -2.114 596 HA VAL 74 HA VAL 74 2.460 6.475 -1.956 597 HB VAL 74 HB VAL 74 3.858 6.152 -0.099 598 HG11 VAL 74 HG11 VAL 74 6.212 6.046 -1.992 599 HG12 VAL 74 HG12 VAL 74 5.489 4.677 -1.150 600 HG13 VAL 74 HG13 VAL 74 6.314 5.939 -0.235 601 HG21 VAL 74 HG21 VAL 74 5.235 8.356 -1.633 602 HG22 VAL 74 HG22 VAL 74 5.266 8.127 0.118 603 HG23 VAL 74 HG23 VAL 74 3.754 8.537 -0.692 604 H LEU 75 H LEU 75 2.423 8.460 -2.958 605 HA LEU 75 HA LEU 75 3.296 8.775 -5.543 606 HB2 LEU 75 HB2 LEU 75 3.007 11.270 -5.075 607 HB3 LEU 75 HB3 LEU 75 1.620 10.228 -4.821 608 HG LEU 75 HG LEU 75 2.910 10.317 -2.340 609 HD11 LEU 75 HD11 LEU 75 4.231 12.210 -3.063 610 HD12 LEU 75 HD12 LEU 75 3.040 12.716 -1.865 611 HD13 LEU 75 HD13 LEU 75 2.774 13.062 -3.575 612 HD21 LEU 75 HD21 LEU 75 0.521 11.876 -3.317 613 HD22 LEU 75 HD22 LEU 75 0.908 11.508 -1.635 614 HD23 LEU 75 HD23 LEU 75 0.501 10.206 -2.753 615 H TRP 76 H TRP 76 5.381 8.359 -6.035 616 HA TRP 76 HA TRP 76 7.518 9.624 -4.513 617 HB2 TRP 76 HB2 TRP 76 7.395 7.430 -6.538 618 HB3 TRP 76 HB3 TRP 76 8.908 8.299 -6.322 619 HD1 TRP 76 HD1 TRP 76 6.581 5.866 -4.547 620 HE1 TRP 76 HE1 TRP 76 7.845 4.772 -2.602 621 HE3 TRP 76 HE3 TRP 76 10.790 8.720 -4.639 622 HZ2 TRP 76 HZ2 TRP 76 10.305 5.079 -1.276 623 HZ3 TRP 76 HZ3 TRP 76 12.556 8.258 -2.996 624 HH2 TRP 76 HH2 TRP 76 12.319 6.482 -1.354 625 H THR 77 H THR 77 7.927 11.646 -5.052 626 HA THR 77 HA THR 77 7.860 12.466 -7.844 627 HB THR 77 HB THR 77 8.314 14.730 -6.942 628 HG1 THR 77 HG1 THR 77 8.450 15.031 -4.714 629 HG21 THR 77 HG21 THR 77 6.169 14.999 -5.735 630 HG22 THR 77 HG22 THR 77 6.055 13.243 -5.589 631 HG23 THR 77 HG23 THR 77 6.004 14.000 -7.180 632 H GLY 78 H GLY 78 9.793 13.810 -8.597 633 HA2 GLY 78 HA2 GLY 78 12.119 12.257 -8.583 634 HA3 GLY 78 HA3 GLY 78 12.036 13.939 -9.089 635 H ASP 79 H ASP 79 11.147 14.935 -6.558 636 HA ASP 79 HA ASP 79 13.570 15.385 -5.205 637 HB2 ASP 79 HB2 ASP 79 10.749 15.643 -4.136 638 HB3 ASP 79 HB3 ASP 79 12.185 16.382 -3.439 639 H GLN 80 H GLN 80 10.776 13.371 -4.332 640 HA GLN 80 HA GLN 80 11.837 12.289 -1.978 641 HB2 GLN 80 HB2 GLN 80 9.744 11.289 -3.891 642 HB3 GLN 80 HB3 GLN 80 10.168 10.410 -2.430 643 HG2 GLN 80 HG2 GLN 80 9.537 12.344 -1.085 644 HG3 GLN 80 HG3 GLN 80 9.113 13.223 -2.555 645 HE21 GLN 80 HE21 GLN 80 8.491 9.810 -2.242 646 HE22 GLN 80 HE22 GLN 80 6.769 9.944 -2.139 647 H GLU 81 H GLU 81 11.975 11.139 -5.320 648 HA GLU 81 HA GLU 81 13.209 8.677 -4.810 649 HB2 GLU 81 HB2 GLU 81 13.445 10.484 -7.221 650 HB3 GLU 81 HB3 GLU 81 14.012 8.818 -7.164 651 HG2 GLU 81 HG2 GLU 81 11.711 8.076 -6.706 652 HG3 GLU 81 HG3 GLU 81 11.165 9.745 -6.839 653 H LEU 82 H LEU 82 14.597 11.860 -5.482 654 HA LEU 82 HA LEU 82 17.298 11.100 -5.295 655 HB2 LEU 82 HB2 LEU 82 16.644 13.169 -6.336 656 HB3 LEU 82 HB3 LEU 82 15.929 13.748 -4.846 657 HG LEU 82 HG LEU 82 18.824 13.118 -4.735 658 HD11 LEU 82 HD11 LEU 82 18.631 14.184 -6.931 659 HD12 LEU 82 HD12 LEU 82 19.436 15.241 -5.771 660 HD13 LEU 82 HD13 LEU 82 17.750 15.523 -6.201 661 HD21 LEU 82 HD21 LEU 82 18.824 15.194 -3.413 662 HD22 LEU 82 HD22 LEU 82 17.657 14.019 -2.804 663 HD23 LEU 82 HD23 LEU 82 17.105 15.397 -3.758 664 H GLU 83 H GLU 83 14.947 12.082 -2.853 665 HA GLU 83 HA GLU 83 16.620 12.507 -0.675 666 HB2 GLU 83 HB2 GLU 83 13.891 11.215 -0.712 667 HB3 GLU 83 HB3 GLU 83 14.721 11.738 0.743 668 HG2 GLU 83 HG2 GLU 83 14.676 14.048 -0.113 669 HG3 GLU 83 HG3 GLU 83 13.735 13.480 -1.497 670 H LEU 84 H LEU 84 14.977 9.483 -1.578 671 HA LEU 84 HA LEU 84 16.335 8.108 0.562 672 HB2 LEU 84 HB2 LEU 84 13.913 7.764 -0.154 673 HB3 LEU 84 HB3 LEU 84 14.549 6.873 -1.522 674 HG LEU 84 HG LEU 84 15.409 6.038 1.210 675 HD11 LEU 84 HD11 LEU 84 12.912 6.393 1.265 676 HD12 LEU 84 HD12 LEU 84 13.463 4.757 1.609 677 HD13 LEU 84 HD13 LEU 84 12.793 5.142 0.028 678 HD21 LEU 84 HD21 LEU 84 16.346 4.961 -0.772 679 HD22 LEU 84 HD22 LEU 84 14.722 4.535 -1.310 680 HD23 LEU 84 HD23 LEU 84 15.372 3.833 0.171 681 H GLN 85 H GLN 85 16.667 8.453 -2.886 682 HA GLN 85 HA GLN 85 18.225 6.255 -3.559 683 HB2 GLN 85 HB2 GLN 85 17.366 8.098 -5.069 684 HB3 GLN 85 HB3 GLN 85 18.688 9.096 -4.498 685 HG2 GLN 85 HG2 GLN 85 19.122 6.454 -5.845 686 HG3 GLN 85 HG3 GLN 85 18.974 7.962 -6.736 687 HE21 GLN 85 HE21 GLN 85 20.583 9.570 -6.422 688 HE22 GLN 85 HE22 GLN 85 22.164 9.133 -5.876 689 H ARG 86 H ARG 86 19.423 9.457 -2.610 690 HA ARG 86 HA ARG 86 22.103 8.638 -2.288 691 HB2 ARG 86 HB2 ARG 86 20.610 11.034 -1.225 692 HB3 ARG 86 HB3 ARG 86 22.350 10.827 -1.097 693 HG2 ARG 86 HG2 ARG 86 22.574 10.865 -3.498 694 HG3 ARG 86 HG3 ARG 86 20.821 10.924 -3.686 695 HD2 ARG 86 HD2 ARG 86 22.141 13.132 -3.856 696 HD3 ARG 86 HD3 ARG 86 20.670 13.098 -2.886 697 HE ARG 86 HE ARG 86 23.323 12.773 -1.636 698 HH11 ARG 86 HH11 ARG 86 20.299 14.507 -1.944 699 HH12 ARG 86 HH12 ARG 86 20.505 15.398 -0.472 700 HH21 ARG 86 HH21 ARG 86 23.602 13.946 0.306 701 HH22 ARG 86 HH22 ARG 86 22.399 15.097 0.797 702 H LEU 87 H LEU 87 19.416 8.967 -0.041 703 HA LEU 87 HA LEU 87 20.882 8.736 2.353 704 HB2 LEU 87 HB2 LEU 87 18.430 9.470 1.901 705 HB3 LEU 87 HB3 LEU 87 18.065 7.762 2.041 706 HG LEU 87 HG LEU 87 19.179 7.854 4.328 707 HD11 LEU 87 HD11 LEU 87 19.224 10.072 5.389 708 HD12 LEU 87 HD12 LEU 87 18.860 10.809 3.829 709 HD13 LEU 87 HD13 LEU 87 20.379 9.942 4.062 710 HD21 LEU 87 HD21 LEU 87 16.770 7.707 4.002 711 HD22 LEU 87 HD22 LEU 87 16.675 9.462 3.860 712 HD23 LEU 87 HD23 LEU 87 17.165 8.725 5.385 713 H PHE 88 H PHE 88 19.282 6.357 0.297 714 HA PHE 88 HA PHE 88 19.631 4.083 1.846 715 HB2 PHE 88 HB2 PHE 88 18.276 3.593 0.098 716 HB3 PHE 88 HB3 PHE 88 19.099 4.702 -0.985 717 HD1 PHE 88 HD1 PHE 88 20.454 3.898 -2.662 718 HD2 PHE 88 HD2 PHE 88 19.447 1.339 0.589 719 HE1 PHE 88 HE1 PHE 88 21.470 1.999 -3.848 720 HE2 PHE 88 HE2 PHE 88 20.467 -0.563 -0.597 721 HZ PHE 88 HZ PHE 88 21.483 -0.229 -2.809 722 H GLU 89 H GLU 89 21.842 5.579 -0.487 723 HA GLU 89 HA GLU 89 23.839 3.567 -0.250 724 HB2 GLU 89 HB2 GLU 89 24.240 6.451 -1.000 725 HB3 GLU 89 HB3 GLU 89 25.284 5.101 -1.402 726 HG2 GLU 89 HG2 GLU 89 23.375 4.156 -2.721 727 HG3 GLU 89 HG3 GLU 89 22.544 5.691 -2.456 728 H GLU 90 H GLU 90 23.185 6.592 1.401 729 HA GLU 90 HA GLU 90 25.647 6.947 2.674 730 HB2 GLU 90 HB2 GLU 90 22.852 7.848 3.243 731 HB3 GLU 90 HB3 GLU 90 24.145 8.215 4.380 732 HG2 GLU 90 HG2 GLU 90 24.093 8.984 1.471 733 HG3 GLU 90 HG3 GLU 90 23.724 10.052 2.824 734 H PHE 91 H PHE 91 22.698 5.339 3.868 735 HA PHE 91 HA PHE 91 24.246 4.414 6.182 736 HB2 PHE 91 HB2 PHE 91 21.259 4.432 5.712 737 HB3 PHE 91 HB3 PHE 91 22.045 3.830 7.167 738 HD1 PHE 91 HD1 PHE 91 23.589 5.510 8.402 739 HD2 PHE 91 HD2 PHE 91 20.594 6.632 5.596 740 HE1 PHE 91 HE1 PHE 91 23.554 7.776 9.353 741 HE2 PHE 91 HE2 PHE 91 20.552 8.901 6.545 742 HZ PHE 91 HZ PHE 91 22.034 9.476 8.423 743 H ARG 92 H ARG 92 24.008 3.321 3.271 744 HA ARG 92 HA ARG 92 22.974 0.690 3.497 745 HB2 ARG 92 HB2 ARG 92 23.229 1.722 1.338 746 HB3 ARG 92 HB3 ARG 92 24.961 1.909 1.577 747 HG2 ARG 92 HG2 ARG 92 25.338 -0.402 1.344 748 HG3 ARG 92 HG3 ARG 92 23.624 -0.771 1.494 749 HD2 ARG 92 HD2 ARG 92 23.282 0.586 -0.612 750 HD3 ARG 92 HD3 ARG 92 25.034 0.598 -0.784 751 HE ARG 92 HE ARG 92 23.911 -2.039 -0.493 752 HH11 ARG 92 HH11 ARG 92 24.690 0.516 -2.769 753 HH12 ARG 92 HH12 ARG 92 24.801 -0.558 -4.125 754 HH21 ARG 92 HH21 ARG 92 24.052 -3.450 -2.294 755 HH22 ARG 92 HH22 ARG 92 24.453 -2.805 -3.857 756 H ASP 93 H ASP 93 25.747 2.144 4.677 757 HA ASP 93 HA ASP 93 27.402 -0.220 4.678 758 HB2 ASP 93 HB2 ASP 93 28.328 2.033 4.322 759 HB3 ASP 93 HB3 ASP 93 27.852 2.481 5.958 760 H SER 94 H SER 94 24.783 0.493 6.392 761 HA SER 94 HA SER 94 25.874 -0.661 8.865 762 HB2 SER 94 HB2 SER 94 23.850 0.206 10.003 763 HB3 SER 94 HB3 SER 94 24.815 1.488 9.278 764 HG SER 94 HG SER 94 23.241 1.065 7.394 765 H ASP 95 H ASP 95 24.043 -1.963 10.049 766 HA ASP 95 HA ASP 95 23.636 -4.289 8.530 767 HB2 ASP 95 HB2 ASP 95 23.833 -4.373 10.945 768 HB3 ASP 95 HB3 ASP 95 22.371 -3.414 11.130 769 H ASP 96 H ASP 96 21.353 -1.797 9.583 770 HA ASP 96 HA ASP 96 19.503 -2.719 7.486 771 HB2 ASP 96 HB2 ASP 96 18.604 -3.362 9.662 772 HB3 ASP 96 HB3 ASP 96 18.804 -1.716 10.253 773 H VAL 97 H VAL 97 19.857 -1.206 5.974 774 HA VAL 97 HA VAL 97 20.429 1.503 6.616 775 HB VAL 97 HB VAL 97 21.358 0.653 4.589 776 HG11 VAL 97 HG11 VAL 97 20.076 -0.066 2.679 777 HG12 VAL 97 HG12 VAL 97 18.568 0.225 3.547 778 HG13 VAL 97 HG13 VAL 97 19.658 -1.053 4.084 779 HG21 VAL 97 HG21 VAL 97 20.838 2.998 4.531 780 HG22 VAL 97 HG22 VAL 97 19.197 2.657 3.988 781 HG23 VAL 97 HG23 VAL 97 20.566 2.303 2.935 782 H LEU 98 H LEU 98 17.490 -0.234 5.749 783 HA LEU 98 HA LEU 98 15.994 2.082 5.087 784 HB2 LEU 98 HB2 LEU 98 15.063 -0.661 5.902 785 HB3 LEU 98 HB3 LEU 98 13.996 0.610 5.343 786 HG LEU 98 HG LEU 98 15.590 0.582 3.243 787 HD11 LEU 98 HD11 LEU 98 16.388 -1.645 2.717 788 HD12 LEU 98 HD12 LEU 98 15.855 -2.227 4.294 789 HD13 LEU 98 HD13 LEU 98 17.156 -1.041 4.186 790 HD21 LEU 98 HD21 LEU 98 13.482 -1.508 3.759 791 HD22 LEU 98 HD22 LEU 98 14.059 -0.990 2.176 792 HD23 LEU 98 HD23 LEU 98 13.196 0.144 3.215 793 H GLY 99 H GLY 99 16.548 0.351 8.085 794 HA2 GLY 99 HA2 GLY 99 14.622 1.661 9.669 795 HA3 GLY 99 HA3 GLY 99 16.131 0.971 10.262 796 H HIS 100 H HIS 100 17.873 2.565 8.714 797 HA HIS 100 HA HIS 100 17.886 4.926 10.355 798 HB2 HIS 100 HB2 HIS 100 19.790 3.975 8.200 799 HB3 HIS 100 HB3 HIS 100 20.047 5.402 9.199 800 HD1 HIS 100 HD1 HIS 100 21.647 2.479 9.043 801 HD2 HIS 100 HD2 HIS 100 19.309 4.038 12.108 802 HE1 HIS 100 HE1 HIS 100 22.422 1.340 11.138 803 HE2 HIS 100 HE2 HIS 100 20.920 2.207 12.955 804 H ILE 101 H ILE 101 17.179 4.022 7.068 805 HA ILE 101 HA ILE 101 16.922 6.534 5.894 806 HB ILE 101 HB ILE 101 15.393 3.971 5.430 807 HG12 ILE 101 HG12 ILE 101 17.523 5.427 3.838 808 HG13 ILE 101 HG13 ILE 101 17.758 3.966 4.790 809 HG21 ILE 101 HG21 ILE 101 14.487 4.965 3.385 810 HG22 ILE 101 HG22 ILE 101 15.187 6.521 3.827 811 HG23 ILE 101 HG23 ILE 101 13.919 5.811 4.824 812 HD11 ILE 101 HD11 ILE 101 17.629 3.424 2.447 813 HD12 ILE 101 HD12 ILE 101 16.069 4.234 2.314 814 HD13 ILE 101 HD13 ILE 101 16.221 2.772 3.285 815 H MET 102 H MET 102 14.415 4.583 7.511 816 HA MET 102 HA MET 102 12.327 6.381 7.248 817 HB2 MET 102 HB2 MET 102 12.851 4.351 9.408 818 HB3 MET 102 HB3 MET 102 11.336 5.230 9.234 819 HG2 MET 102 HG2 MET 102 11.045 4.285 7.005 820 HG3 MET 102 HG3 MET 102 12.554 3.392 7.185 821 HE1 MET 102 HE1 MET 102 9.407 0.905 7.372 822 HE2 MET 102 HE2 MET 102 10.736 1.454 6.350 823 HE3 MET 102 HE3 MET 102 9.349 2.509 6.632 824 H LYS 103 H LYS 103 14.771 6.204 9.783 825 HA LYS 103 HA LYS 103 13.548 8.227 11.393 826 HB2 LYS 103 HB2 LYS 103 16.169 6.793 11.455 827 HB3 LYS 103 HB3 LYS 103 15.985 8.266 12.398 828 HG2 LYS 103 HG2 LYS 103 15.532 6.366 13.789 829 HG3 LYS 103 HG3 LYS 103 14.036 7.263 13.530 830 HD2 LYS 103 HD2 LYS 103 13.430 5.638 11.760 831 HD3 LYS 103 HD3 LYS 103 14.885 4.718 12.148 832 HE2 LYS 103 HE2 LYS 103 12.574 5.286 14.001 833 HE3 LYS 103 HE3 LYS 103 12.942 3.743 13.234 834 HZ1 LYS 103 HZ1 LYS 103 15.074 3.757 14.451 835 HZ2 LYS 103 HZ2 LYS 103 13.728 3.707 15.469 836 HZ3 LYS 103 HZ3 LYS 103 14.576 5.153 15.268 837 H ASN 104 H ASN 104 15.689 8.310 8.661 838 HA ASN 104 HA ASN 104 16.301 11.134 9.250 839 HB2 ASN 104 HB2 ASN 104 17.697 9.106 7.522 840 HB3 ASN 104 HB3 ASN 104 18.029 10.829 7.383 841 HD21 ASN 104 HD21 ASN 104 18.336 7.999 9.354 842 HD22 ASN 104 HD22 ASN 104 19.449 8.670 10.502 843 H ILE 105 H ILE 105 14.144 9.386 7.445 844 HA ILE 105 HA ILE 105 14.203 11.235 5.184 845 HB ILE 105 HB ILE 105 14.048 8.827 4.700 846 HG12 ILE 105 HG12 ILE 105 12.123 8.964 3.109 847 HG13 ILE 105 HG13 ILE 105 11.675 10.489 3.867 848 HG21 ILE 105 HG21 ILE 105 12.684 8.209 6.655 849 HG22 ILE 105 HG22 ILE 105 12.035 7.577 5.141 850 HG23 ILE 105 HG23 ILE 105 11.295 8.988 5.899 851 HD11 ILE 105 HD11 ILE 105 14.265 9.932 2.445 852 HD12 ILE 105 HD12 ILE 105 13.795 11.461 3.186 853 HD13 ILE 105 HD13 ILE 105 12.900 10.842 1.800 854 H THR 106 H THR 106 12.426 12.380 4.518 855 HA THR 106 HA THR 106 11.036 13.669 6.591 856 HB THR 106 HB THR 106 11.815 14.584 4.347 857 HG1 THR 106 HG1 THR 106 10.175 16.148 4.371 858 HG21 THR 106 HG21 THR 106 10.781 12.931 2.885 859 HG22 THR 106 HG22 THR 106 10.194 14.551 2.511 860 HG23 THR 106 HG23 THR 106 9.181 13.437 3.427 861 H ALA 107 H ALA 107 10.097 11.139 4.323 862 HA ALA 107 HA ALA 107 7.399 11.105 5.512 863 HB1 ALA 107 HB1 ALA 107 6.636 10.012 3.479 864 HB2 ALA 107 HB2 ALA 107 8.277 10.023 2.838 865 HB3 ALA 107 HB3 ALA 107 7.420 11.545 3.091 866 H LYS 108 H LYS 108 6.847 9.353 6.685 867 HA LYS 108 HA LYS 108 8.728 7.188 6.943 868 HB2 LYS 108 HB2 LYS 108 6.032 7.740 8.175 869 HB3 LYS 108 HB3 LYS 108 6.838 6.196 8.394 870 HG2 LYS 108 HG2 LYS 108 7.269 7.566 10.306 871 HG3 LYS 108 HG3 LYS 108 8.767 7.394 9.394 872 HD2 LYS 108 HD2 LYS 108 7.106 9.732 8.704 873 HD3 LYS 108 HD3 LYS 108 7.816 9.746 10.319 874 HE2 LYS 108 HE2 LYS 108 9.550 9.033 8.004 875 HE3 LYS 108 HE3 LYS 108 9.102 10.727 8.229 876 HZ1 LYS 108 HZ1 LYS 108 11.185 10.244 9.318 877 HZ2 LYS 108 HZ2 LYS 108 10.476 9.004 10.224 878 HZ3 LYS 108 HZ3 LYS 108 10.012 10.610 10.480 879 H ARG 109 H ARG 109 8.895 5.922 5.231 880 HA ARG 109 HA ARG 109 6.446 5.052 3.859 881 HB2 ARG 109 HB2 ARG 109 9.288 5.082 2.808 882 HB3 ARG 109 HB3 ARG 109 7.837 4.703 1.887 883 HG2 ARG 109 HG2 ARG 109 7.055 6.962 2.076 884 HG3 ARG 109 HG3 ARG 109 8.370 7.371 3.176 885 HD2 ARG 109 HD2 ARG 109 9.962 6.786 1.303 886 HD3 ARG 109 HD3 ARG 109 8.551 6.703 0.247 887 HE ARG 109 HE ARG 109 8.135 9.089 1.065 888 HH11 ARG 109 HH11 ARG 109 11.330 7.740 0.572 889 HH12 ARG 109 HH12 ARG 109 12.074 9.282 0.304 890 HH21 ARG 109 HH21 ARG 109 9.123 11.120 0.724 891 HH22 ARG 109 HH22 ARG 109 10.833 11.222 0.408 892 H SER 110 H SER 110 5.890 3.009 4.065 893 HA SER 110 HA SER 110 7.115 1.231 5.784 894 HB2 SER 110 HB2 SER 110 5.416 0.314 3.483 895 HB3 SER 110 HB3 SER 110 5.437 -0.275 5.146 896 HG SER 110 HG SER 110 3.863 1.064 5.477 897 H ARG 111 H ARG 111 8.085 -0.844 5.364 898 HA ARG 111 HA ARG 111 10.414 -0.634 3.866 899 HB2 ARG 111 HB2 ARG 111 9.016 -3.073 4.958 900 HB3 ARG 111 HB3 ARG 111 10.648 -3.088 4.301 901 HG2 ARG 111 HG2 ARG 111 9.803 -1.341 6.595 902 HG3 ARG 111 HG3 ARG 111 10.500 -2.946 6.795 903 HD2 ARG 111 HD2 ARG 111 12.512 -2.243 5.641 904 HD3 ARG 111 HD3 ARG 111 11.811 -0.653 5.349 905 HE ARG 111 HE ARG 111 11.806 -0.383 7.816 906 HH11 ARG 111 HH11 ARG 111 14.007 -2.647 6.303 907 HH12 ARG 111 HH12 ARG 111 15.200 -2.523 7.561 908 HH21 ARG 111 HH21 ARG 111 13.326 -0.293 9.517 909 HH22 ARG 111 HH22 ARG 111 14.803 -1.214 9.401 910 H ALA 112 H ALA 112 7.424 -2.381 3.092 911 HA ALA 112 HA ALA 112 8.390 -3.682 0.812 912 HB1 ALA 112 HB1 ALA 112 6.078 -4.134 0.276 913 HB2 ALA 112 HB2 ALA 112 5.550 -2.884 1.399 914 HB3 ALA 112 HB3 ALA 112 6.353 -4.330 2.006 915 H ARG 113 H ARG 113 7.209 -0.406 1.204 916 HA ARG 113 HA ARG 113 6.947 -0.108 -1.674 917 HB2 ARG 113 HB2 ARG 113 6.194 2.175 -1.223 918 HB3 ARG 113 HB3 ARG 113 5.277 0.992 -0.307 919 HG2 ARG 113 HG2 ARG 113 6.772 1.508 1.640 920 HG3 ARG 113 HG3 ARG 113 7.397 2.858 0.692 921 HD2 ARG 113 HD2 ARG 113 5.658 3.647 2.166 922 HD3 ARG 113 HD3 ARG 113 5.105 3.738 0.498 923 HE ARG 113 HE ARG 113 4.361 1.319 1.891 924 HH11 ARG 113 HH11 ARG 113 3.415 4.590 1.065 925 HH12 ARG 113 HH12 ARG 113 1.727 4.304 1.329 926 HH21 ARG 113 HH21 ARG 113 2.142 0.954 2.269 927 HH22 ARG 113 HH22 ARG 113 1.005 2.240 2.024 928 H ILE 114 H ILE 114 9.215 0.735 0.864 929 HA ILE 114 HA ILE 114 10.889 2.355 -0.745 930 HB ILE 114 HB ILE 114 11.619 0.642 1.636 931 HG12 ILE 114 HG12 ILE 114 10.978 3.587 1.401 932 HG13 ILE 114 HG13 ILE 114 9.973 2.366 2.172 933 HG21 ILE 114 HG21 ILE 114 13.626 2.068 1.792 934 HG22 ILE 114 HG22 ILE 114 13.181 2.831 0.266 935 HG23 ILE 114 HG23 ILE 114 13.590 1.116 0.305 936 HD11 ILE 114 HD11 ILE 114 11.655 2.017 3.882 937 HD12 ILE 114 HD12 ILE 114 11.194 3.719 3.800 938 HD13 ILE 114 HD13 ILE 114 12.719 3.183 3.095 939 H VAL 115 H VAL 115 11.088 -1.092 0.155 940 HA VAL 115 HA VAL 115 13.464 -1.609 -1.228 941 HB VAL 115 HB VAL 115 12.911 -3.997 -1.044 942 HG11 VAL 115 HG11 VAL 115 13.914 -2.820 0.849 943 HG12 VAL 115 HG12 VAL 115 12.837 -4.107 1.390 944 HG13 VAL 115 HG13 VAL 115 12.304 -2.428 1.458 945 HG21 VAL 115 HG21 VAL 115 10.520 -3.912 -1.466 946 HG22 VAL 115 HG22 VAL 115 10.270 -3.036 0.045 947 HG23 VAL 115 HG23 VAL 115 10.848 -4.701 0.076 948 H ASP 116 H ASP 116 10.106 -1.790 -2.320 949 HA ASP 116 HA ASP 116 10.776 -3.022 -4.812 950 HB2 ASP 116 HB2 ASP 116 8.516 -3.176 -3.812 951 HB3 ASP 116 HB3 ASP 116 8.300 -1.449 -4.081 952 H LYS 117 H LYS 117 10.580 0.263 -3.637 953 HA LYS 117 HA LYS 117 10.539 1.538 -6.172 954 HB2 LYS 117 HB2 LYS 117 9.922 2.604 -3.965 955 HB3 LYS 117 HB3 LYS 117 11.642 2.685 -3.606 956 HG2 LYS 117 HG2 LYS 117 10.950 4.809 -4.435 957 HG3 LYS 117 HG3 LYS 117 11.947 4.039 -5.667 958 HD2 LYS 117 HD2 LYS 117 9.796 3.259 -6.748 959 HD3 LYS 117 HD3 LYS 117 8.943 4.322 -5.618 960 HE2 LYS 117 HE2 LYS 117 10.109 6.248 -6.500 961 HE3 LYS 117 HE3 LYS 117 11.080 5.219 -7.551 962 HZ1 LYS 117 HZ1 LYS 117 9.052 4.573 -8.708 963 HZ2 LYS 117 HZ2 LYS 117 9.290 6.242 -8.778 964 HZ3 LYS 117 HZ3 LYS 117 8.138 5.597 -7.723 965 H LEU 118 H LEU 118 13.112 0.483 -4.006 966 HA LEU 118 HA LEU 118 15.305 1.579 -5.362 967 HB2 LEU 118 HB2 LEU 118 14.876 -0.648 -3.478 968 HB3 LEU 118 HB3 LEU 118 16.330 -0.739 -4.446 969 HG LEU 118 HG LEU 118 16.945 1.538 -3.620 970 HD11 LEU 118 HD11 LEU 118 15.833 2.354 -1.596 971 HD12 LEU 118 HD12 LEU 118 14.628 1.075 -1.755 972 HD13 LEU 118 HD13 LEU 118 14.747 2.334 -2.984 973 HD21 LEU 118 HD21 LEU 118 17.873 -0.525 -2.696 974 HD22 LEU 118 HD22 LEU 118 16.549 -0.582 -1.525 975 HD23 LEU 118 HD23 LEU 118 17.718 0.739 -1.473 976 H LEU 119 H LEU 119 13.631 -1.498 -5.808 977 HA LEU 119 HA LEU 119 15.336 -2.493 -7.842 978 HB2 LEU 119 HB2 LEU 119 12.576 -3.130 -6.883 979 HB3 LEU 119 HB3 LEU 119 13.145 -3.833 -8.384 980 HG LEU 119 HG LEU 119 13.429 -5.354 -6.451 981 HD11 LEU 119 HD11 LEU 119 14.853 -5.537 -8.427 982 HD12 LEU 119 HD12 LEU 119 15.709 -6.004 -6.959 983 HD13 LEU 119 HD13 LEU 119 16.014 -4.431 -7.693 984 HD21 LEU 119 HD21 LEU 119 13.898 -3.734 -4.696 985 HD22 LEU 119 HD22 LEU 119 15.411 -3.287 -5.485 986 HD23 LEU 119 HD23 LEU 119 15.210 -4.906 -4.816 987 H ALA 120 H ALA 120 12.672 -0.327 -7.788 988 HA ALA 120 HA ALA 120 12.080 -0.425 -10.582 989 HB1 ALA 120 HB1 ALA 120 11.382 1.711 -8.580 990 HB2 ALA 120 HB2 ALA 120 10.474 0.217 -8.815 991 HB3 ALA 120 HB3 ALA 120 10.591 1.397 -10.127 992 H LEU 121 H LEU 121 13.895 1.784 -8.477 993 HA LEU 121 HA LEU 121 14.859 3.479 -10.537 994 HB2 LEU 121 HB2 LEU 121 15.642 2.881 -7.723 995 HB3 LEU 121 HB3 LEU 121 16.780 3.741 -8.737 996 HG LEU 121 HG LEU 121 15.166 5.533 -9.067 997 HD11 LEU 121 HD11 LEU 121 13.089 4.327 -8.963 998 HD12 LEU 121 HD12 LEU 121 13.096 5.585 -7.726 999 HD13 LEU 121 HD13 LEU 121 13.384 3.904 -7.279 1000 HD21 LEU 121 HD21 LEU 121 16.700 5.713 -7.222 1001 HD22 LEU 121 HD22 LEU 121 15.640 4.743 -6.201 1002 HD23 LEU 121 HD23 LEU 121 15.131 6.352 -6.725 1003 H GLY 122 H GLY 122 15.729 0.319 -9.483 1004 HA2 GLY 122 HA2 GLY 122 17.319 -1.142 -10.308 1005 HA3 GLY 122 HA3 GLY 122 17.828 0.108 -11.440 1006 H LEU 123 H LEU 123 17.592 0.484 -7.952 1007 HA LEU 123 HA LEU 123 20.330 1.387 -7.816 1008 HB2 LEU 123 HB2 LEU 123 18.178 1.029 -5.737 1009 HB3 LEU 123 HB3 LEU 123 19.798 1.575 -5.345 1010 HG LEU 123 HG LEU 123 17.825 3.005 -7.125 1011 HD11 LEU 123 HD11 LEU 123 17.868 4.693 -5.326 1012 HD12 LEU 123 HD12 LEU 123 18.856 3.599 -4.358 1013 HD13 LEU 123 HD13 LEU 123 17.210 3.146 -4.800 1014 HD21 LEU 123 HD21 LEU 123 19.481 4.825 -7.120 1015 HD22 LEU 123 HD22 LEU 123 20.090 3.373 -7.911 1016 HD23 LEU 123 HD23 LEU 123 20.616 3.772 -6.276 1017 H VAL 124 H VAL 124 18.506 -1.452 -7.092 1018 HA VAL 124 HA VAL 124 20.994 -2.825 -6.342 1019 HB VAL 124 HB VAL 124 19.736 -4.174 -4.685 1020 HG11 VAL 124 HG11 VAL 124 19.771 -1.208 -4.151 1021 HG12 VAL 124 HG12 VAL 124 21.134 -2.311 -3.966 1022 HG13 VAL 124 HG13 VAL 124 19.719 -2.476 -2.927 1023 HG21 VAL 124 HG21 VAL 124 17.588 -3.268 -3.842 1024 HG22 VAL 124 HG22 VAL 124 17.493 -3.872 -5.495 1025 HG23 VAL 124 HG23 VAL 124 17.578 -2.138 -5.196 1026 H ALA 125 H ALA 125 20.750 -5.186 -6.385 1027 HA ALA 125 HA ALA 125 19.530 -6.041 -8.856 1028 HB1 ALA 125 HB1 ALA 125 21.773 -6.812 -8.087 1029 HB2 ALA 125 HB2 ALA 125 20.660 -8.127 -8.454 1030 HB3 ALA 125 HB3 ALA 125 20.971 -7.681 -6.775 1031 H GLU 126 H GLU 126 18.968 -6.241 -5.472 1032 HA GLU 126 HA GLU 126 16.382 -7.370 -5.653 1033 HB2 GLU 126 HB2 GLU 126 17.037 -9.490 -4.392 1034 HB3 GLU 126 HB3 GLU 126 17.442 -9.450 -6.104 1035 HG2 GLU 126 HG2 GLU 126 19.739 -8.839 -5.543 1036 HG3 GLU 126 HG3 GLU 126 19.333 -8.874 -3.837 1037 H ARG 127 H ARG 127 15.806 -8.150 -3.241 1038 HA ARG 127 HA ARG 127 16.208 -5.862 -1.623 1039 HB2 ARG 127 HB2 ARG 127 14.938 -8.530 -1.143 1040 HB3 ARG 127 HB3 ARG 127 15.198 -7.428 0.199 1041 HG2 ARG 127 HG2 ARG 127 12.994 -7.072 -0.530 1042 HG3 ARG 127 HG3 ARG 127 13.927 -5.703 -1.114 1043 HD2 ARG 127 HD2 ARG 127 14.003 -6.627 -3.327 1044 HD3 ARG 127 HD3 ARG 127 13.243 -8.120 -2.776 1045 HE ARG 127 HE ARG 127 11.448 -6.194 -2.112 1046 HH11 ARG 127 HH11 ARG 127 13.006 -7.137 -5.110 1047 HH12 ARG 127 HH12 ARG 127 11.702 -6.569 -6.106 1048 HH21 ARG 127 HH21 ARG 127 9.720 -5.487 -3.430 1049 HH22 ARG 127 HH22 ARG 127 9.838 -5.639 -5.153 1050 H ARG 128 H ARG 128 17.985 -8.748 -2.020 1051 HA ARG 128 HA ARG 128 19.214 -9.066 0.462 1052 HB2 ARG 128 HB2 ARG 128 19.340 -10.719 -1.312 1053 HB3 ARG 128 HB3 ARG 128 20.262 -9.610 -2.313 1054 HG2 ARG 128 HG2 ARG 128 22.021 -9.642 -0.508 1055 HG3 ARG 128 HG3 ARG 128 21.134 -10.997 0.196 1056 HD2 ARG 128 HD2 ARG 128 22.516 -10.834 -2.466 1057 HD3 ARG 128 HD3 ARG 128 22.801 -11.971 -1.151 1058 HE ARG 128 HE ARG 128 20.309 -11.975 -2.751 1059 HH11 ARG 128 HH11 ARG 128 22.988 -13.677 -1.258 1060 HH12 ARG 128 HH12 ARG 128 22.429 -15.242 -1.752 1061 HH21 ARG 128 HH21 ARG 128 19.586 -14.027 -3.404 1062 HH22 ARG 128 HH22 ARG 128 20.502 -15.441 -2.984 1063 H GLU 129 H GLU 129 19.971 -6.915 -2.206 1064 HA GLU 129 HA GLU 129 22.644 -6.383 -1.389 1065 HB2 GLU 129 HB2 GLU 129 20.935 -4.759 -3.265 1066 HB3 GLU 129 HB3 GLU 129 22.690 -4.788 -3.188 1067 HG2 GLU 129 HG2 GLU 129 20.921 -7.085 -3.995 1068 HG3 GLU 129 HG3 GLU 129 21.855 -6.063 -5.086 1069 H LEU 130 H LEU 130 19.725 -5.270 -0.156 1070 HA LEU 130 HA LEU 130 20.972 -2.784 0.792 1071 HB2 LEU 130 HB2 LEU 130 18.459 -2.389 1.555 1072 HB3 LEU 130 HB3 LEU 130 19.042 -1.958 -0.036 1073 HG LEU 130 HG LEU 130 17.808 -4.654 0.348 1074 HD11 LEU 130 HD11 LEU 130 15.608 -3.642 -0.186 1075 HD12 LEU 130 HD12 LEU 130 16.310 -2.052 0.109 1076 HD13 LEU 130 HD13 LEU 130 16.204 -3.228 1.420 1077 HD21 LEU 130 HD21 LEU 130 18.814 -4.129 -1.794 1078 HD22 LEU 130 HD22 LEU 130 17.872 -2.640 -1.899 1079 HD23 LEU 130 HD23 LEU 130 17.059 -4.202 -1.965 1080 H TYR 131 H TYR 131 20.936 -5.761 1.794 1081 HA TYR 131 HA TYR 131 20.770 -4.930 4.610 1082 HB2 TYR 131 HB2 TYR 131 19.844 -7.602 3.523 1083 HB3 TYR 131 HB3 TYR 131 19.927 -7.168 5.227 1084 HD1 TYR 131 HD1 TYR 131 18.577 -4.969 5.850 1085 HD2 TYR 131 HD2 TYR 131 17.826 -7.398 2.446 1086 HE1 TYR 131 HE1 TYR 131 16.287 -4.085 5.730 1087 HE2 TYR 131 HE2 TYR 131 15.541 -6.523 2.306 1088 HH TYR 131 HH TYR 131 13.870 -5.464 3.821 1089 H LYS 132 H LYS 132 22.835 -4.900 5.243 1090 HA LYS 132 HA LYS 132 24.847 -6.383 3.917 1091 HB2 LYS 132 HB2 LYS 132 24.818 -4.602 6.310 1092 HB3 LYS 132 HB3 LYS 132 26.222 -5.620 6.017 1093 HG2 LYS 132 HG2 LYS 132 26.130 -4.613 3.624 1094 HG3 LYS 132 HG3 LYS 132 25.156 -3.356 4.392 1095 HD2 LYS 132 HD2 LYS 132 26.913 -2.724 5.825 1096 HD3 LYS 132 HD3 LYS 132 27.823 -4.199 5.490 1097 HE2 LYS 132 HE2 LYS 132 28.029 -3.411 3.115 1098 HE3 LYS 132 HE3 LYS 132 27.337 -1.875 3.635 1099 HZ1 LYS 132 HZ1 LYS 132 29.802 -1.925 3.561 1100 HZ2 LYS 132 HZ2 LYS 132 29.787 -3.063 4.811 1101 HZ3 LYS 132 HZ3 LYS 132 29.182 -1.506 5.078 1102 H LYS 133 H LYS 133 25.085 -8.419 4.031 1103 HA LYS 133 HA LYS 133 25.159 -9.743 6.647 1104 HB2 LYS 133 HB2 LYS 133 24.037 -10.841 4.064 1105 HB3 LYS 133 HB3 LYS 133 24.347 -11.811 5.492 1106 HG2 LYS 133 HG2 LYS 133 22.716 -10.425 6.737 1107 HG3 LYS 133 HG3 LYS 133 22.348 -9.577 5.232 1108 HD2 LYS 133 HD2 LYS 133 21.615 -11.640 4.204 1109 HD3 LYS 133 HD3 LYS 133 22.090 -12.556 5.633 1110 HE2 LYS 133 HE2 LYS 133 20.426 -11.321 6.954 1111 HE3 LYS 133 HE3 LYS 133 19.929 -10.459 5.496 1112 HZ1 LYS 133 HZ1 LYS 133 19.763 -13.393 5.925 1113 HZ2 LYS 133 HZ2 LYS 133 19.319 -12.590 4.508 1114 HZ3 LYS 133 HZ3 LYS 133 18.461 -12.316 5.938 1115 H ARG 134 H ARG 134 26.458 -11.854 6.424 1116 HA ARG 134 HA ARG 134 28.918 -11.378 5.128 1117 HB2 ARG 134 HB2 ARG 134 29.638 -13.499 5.890 1118 HB3 ARG 134 HB3 ARG 134 28.596 -12.853 7.141 1119 HG2 ARG 134 HG2 ARG 134 27.768 -14.906 5.104 1120 HG3 ARG 134 HG3 ARG 134 28.315 -15.274 6.737 1121 HD2 ARG 134 HD2 ARG 134 26.414 -13.952 7.618 1122 HD3 ARG 134 HD3 ARG 134 25.863 -13.704 5.959 1123 HE ARG 134 HE ARG 134 26.154 -16.414 7.059 1124 HH11 ARG 134 HH11 ARG 134 24.171 -13.919 5.600 1125 HH12 ARG 134 HH12 ARG 134 22.830 -14.979 5.322 1126 HH21 ARG 134 HH21 ARG 134 24.417 -17.805 6.660 1127 HH22 ARG 134 HH22 ARG 134 22.971 -17.196 5.919 1128 H GLN 135 H GLN 135 28.290 -10.829 3.050 1129 HA GLN 135 HA GLN 135 27.011 -12.727 1.308 1130 HB2 GLN 135 HB2 GLN 135 28.337 -10.075 0.714 1131 HB3 GLN 135 HB3 GLN 135 27.398 -11.013 -0.437 1132 HG2 GLN 135 HG2 GLN 135 25.404 -10.719 0.884 1133 HG3 GLN 135 HG3 GLN 135 26.322 -9.886 2.137 1134 HE21 GLN 135 HE21 GLN 135 24.946 -9.658 -1.042 1135 HE22 GLN 135 HE22 GLN 135 25.115 -7.951 -1.219 1136 H LYS 136 H LYS 136 28.016 -13.193 -0.835 1137 HA LYS 136 HA LYS 136 30.750 -14.140 -0.530 1138 HB2 LYS 136 HB2 LYS 136 30.327 -15.297 -2.684 1139 HB3 LYS 136 HB3 LYS 136 29.116 -15.683 -1.474 1140 HG2 LYS 136 HG2 LYS 136 27.616 -13.991 -2.540 1141 HG3 LYS 136 HG3 LYS 136 28.813 -13.830 -3.826 1142 HD2 LYS 136 HD2 LYS 136 28.549 -16.129 -4.439 1143 HD3 LYS 136 HD3 LYS 136 27.527 -16.436 -3.035 1144 HE2 LYS 136 HE2 LYS 136 25.892 -14.800 -3.956 1145 HE3 LYS 136 HE3 LYS 136 26.884 -14.699 -5.409 1146 HZ1 LYS 136 HZ1 LYS 136 25.610 -17.172 -4.369 1147 HZ2 LYS 136 HZ2 LYS 136 26.537 -17.052 -5.778 1148 HZ3 LYS 136 HZ3 LYS 136 25.052 -16.254 -5.674 1149 H LYS 137 H LYS 137 31.641 -13.939 -3.215 1150 HA LYS 137 HA LYS 137 32.577 -11.324 -3.432 1151 HB2 LYS 137 HB2 LYS 137 33.618 -13.174 -4.651 1152 HB3 LYS 137 HB3 LYS 137 32.170 -13.372 -5.629 1153 HG2 LYS 137 HG2 LYS 137 33.888 -12.209 -6.879 1154 HG3 LYS 137 HG3 LYS 137 32.516 -11.140 -6.583 1155 HD2 LYS 137 HD2 LYS 137 33.769 -10.212 -4.626 1156 HD3 LYS 137 HD3 LYS 137 35.162 -11.164 -5.136 1157 HE2 LYS 137 HE2 LYS 137 35.200 -9.988 -7.268 1158 HE3 LYS 137 HE3 LYS 137 33.772 -9.065 -6.798 1159 HZ1 LYS 137 HZ1 LYS 137 36.412 -8.982 -5.440 1160 HZ2 LYS 137 HZ2 LYS 137 35.043 -8.107 -4.978 1161 HZ3 LYS 137 HZ3 LYS 137 35.786 -7.786 -6.460 1162 H LEU 138 H LEU 138 31.776 -9.480 -4.294 1163 HA LEU 138 HA LEU 138 28.963 -9.356 -4.741 1164 HB2 LEU 138 HB2 LEU 138 30.291 -7.546 -3.659 1165 HB3 LEU 138 HB3 LEU 138 31.031 -7.212 -5.213 1166 HG LEU 138 HG LEU 138 28.760 -6.665 -6.117 1167 HD11 LEU 138 HD11 LEU 138 27.953 -6.899 -3.223 1168 HD12 LEU 138 HD12 LEU 138 27.399 -7.917 -4.553 1169 HD13 LEU 138 HD13 LEU 138 26.967 -6.208 -4.512 1170 HD21 LEU 138 HD21 LEU 138 29.717 -5.067 -3.745 1171 HD22 LEU 138 HD22 LEU 138 28.604 -4.487 -4.985 1172 HD23 LEU 138 HD23 LEU 138 30.263 -4.901 -5.414 1173 H ALA 139 H ALA 139 28.856 -10.847 -6.527 1174 HA ALA 139 HA ALA 139 29.404 -9.516 -9.098 1175 HB1 ALA 139 HB1 ALA 139 30.412 -11.756 -8.856 1176 HB2 ALA 139 HB2 ALA 139 29.197 -11.710 -10.134 1177 HB3 ALA 139 HB3 ALA 139 28.806 -12.430 -8.572 1178 H SER 140 H SER 140 27.369 -8.708 -7.400 1179 HA SER 140 HA SER 140 25.006 -9.331 -9.009 1180 HB2 SER 140 HB2 SER 140 23.706 -8.900 -6.813 1181 HB3 SER 140 HB3 SER 140 24.515 -10.456 -6.992 1182 HG SER 140 HG SER 140 24.956 -8.441 -5.190 1183 H SER 141 H SER 141 23.326 -7.532 -8.684 1184 HA SER 141 HA SER 141 22.758 -5.367 -9.039 1185 HB2 SER 141 HB2 SER 141 23.659 -4.950 -6.776 1186 HB3 SER 141 HB3 SER 141 25.272 -4.746 -7.456 1187 HG SER 141 HG SER 141 24.561 -2.911 -8.534 Start of MODEL 15 1 H1 ASP 1 HT1 ASP 1 -19.863 13.238 -6.349 2 H2 ASP 1 HT2 ASP 1 -20.424 13.494 -7.921 3 H3 ASP 1 HT3 ASP 1 -20.046 11.933 -7.404 4 HA ASP 1 HA ASP 1 -21.835 11.969 -5.816 5 HB2 ASP 1 HB2 ASP 1 -22.404 14.704 -6.981 6 HB3 ASP 1 HB3 ASP 1 -23.457 13.843 -5.863 7 HA PRO 2 HA PRO 2 -23.276 10.093 -9.651 8 HB2 PRO 2 HB2 PRO 2 -24.855 8.441 -7.784 9 HB3 PRO 2 HB3 PRO 2 -23.685 7.945 -9.009 10 HG2 PRO 2 HG2 PRO 2 -23.107 7.802 -6.405 11 HG3 PRO 2 HG3 PRO 2 -21.878 8.252 -7.602 12 HD2 PRO 2 HD2 PRO 2 -23.434 10.004 -5.734 13 HD3 PRO 2 HD3 PRO 2 -21.716 10.076 -6.181 14 H SER 3 H SER 3 -25.783 9.963 -7.121 15 HA SER 3 HA SER 3 -27.687 11.060 -9.057 16 HB2 SER 3 HB2 SER 3 -28.295 8.922 -8.013 17 HB3 SER 3 HB3 SER 3 -28.134 9.643 -6.414 18 HG SER 3 HG SER 3 -29.922 10.687 -8.342 19 H ARG 4 H ARG 4 -26.955 11.335 -5.601 20 HA ARG 4 HA ARG 4 -27.240 14.244 -5.822 21 HB2 ARG 4 HB2 ARG 4 -28.305 12.447 -3.633 22 HB3 ARG 4 HB3 ARG 4 -28.094 14.180 -3.428 23 HG2 ARG 4 HG2 ARG 4 -29.653 14.589 -5.264 24 HG3 ARG 4 HG3 ARG 4 -29.866 12.850 -5.463 25 HD2 ARG 4 HD2 ARG 4 -30.802 12.669 -3.247 26 HD3 ARG 4 HD3 ARG 4 -30.481 14.375 -2.939 27 HE ARG 4 HE ARG 4 -32.056 14.517 -5.090 28 HH11 ARG 4 HH11 ARG 4 -32.389 12.652 -2.143 29 HH12 ARG 4 HH12 ARG 4 -34.121 12.689 -2.170 30 HH21 ARG 4 HH21 ARG 4 -34.331 14.576 -5.119 31 HH22 ARG 4 HH22 ARG 4 -35.228 13.783 -3.863 32 H ARG 5 H ARG 5 -26.335 14.943 -3.308 33 HA ARG 5 HA ARG 5 -23.575 14.480 -3.515 34 HB2 ARG 5 HB2 ARG 5 -24.397 16.436 -2.319 35 HB3 ARG 5 HB3 ARG 5 -25.139 15.406 -1.096 36 HG2 ARG 5 HG2 ARG 5 -22.849 14.518 -0.606 37 HG3 ARG 5 HG3 ARG 5 -22.214 15.768 -1.671 38 HD2 ARG 5 HD2 ARG 5 -23.885 16.263 0.780 39 HD3 ARG 5 HD3 ARG 5 -22.128 16.376 0.710 40 HE ARG 5 HE ARG 5 -23.105 18.030 -1.287 41 HH11 ARG 5 HH11 ARG 5 -23.306 17.819 2.192 42 HH12 ARG 5 HH12 ARG 5 -23.477 19.530 2.424 43 HH21 ARG 5 HH21 ARG 5 -23.332 20.292 -1.003 44 HH22 ARG 5 HH22 ARG 5 -23.495 20.943 0.597 45 H ALA 6 H ALA 6 -22.224 13.097 -2.589 46 HA ALA 6 HA ALA 6 -22.891 10.551 -1.806 47 HB1 ALA 6 HB1 ALA 6 -20.633 11.247 -2.398 48 HB2 ALA 6 HB2 ALA 6 -20.651 10.433 -0.830 49 HB3 ALA 6 HB3 ALA 6 -20.533 12.196 -0.912 50 HA PRO 7 HA PRO 7 -24.719 11.244 2.271 51 HB2 PRO 7 HB2 PRO 7 -24.438 8.303 2.284 52 HB3 PRO 7 HB3 PRO 7 -25.866 9.289 2.614 53 HG2 PRO 7 HG2 PRO 7 -25.639 7.911 0.345 54 HG3 PRO 7 HG3 PRO 7 -26.379 9.522 0.367 55 HD2 PRO 7 HD2 PRO 7 -23.653 8.696 -0.535 56 HD3 PRO 7 HD3 PRO 7 -24.749 9.915 -1.220 57 H THR 8 H THR 8 -23.563 11.649 4.043 58 HA THR 8 HA THR 8 -20.883 10.729 4.358 59 HB THR 8 HB THR 8 -22.614 11.975 6.501 60 HG1 THR 8 HG1 THR 8 -21.944 13.022 4.140 61 HG21 THR 8 HG21 THR 8 -19.633 12.093 6.013 62 HG22 THR 8 HG22 THR 8 -20.424 11.057 7.199 63 HG23 THR 8 HG23 THR 8 -20.502 12.810 7.371 64 H TRP 9 H TRP 9 -20.227 8.865 5.227 65 HA TRP 9 HA TRP 9 -22.079 6.893 6.048 66 HB2 TRP 9 HB2 TRP 9 -19.071 7.008 6.319 67 HB3 TRP 9 HB3 TRP 9 -20.042 5.585 6.670 68 HD1 TRP 9 HD1 TRP 9 -19.095 7.839 3.677 69 HE1 TRP 9 HE1 TRP 9 -19.237 6.415 1.533 70 HE3 TRP 9 HE3 TRP 9 -20.979 3.533 5.683 71 HZ2 TRP 9 HZ2 TRP 9 -20.042 3.822 0.797 72 HZ3 TRP 9 HZ3 TRP 9 -21.406 1.625 4.188 73 HH2 TRP 9 HH2 TRP 9 -20.946 1.771 1.794 74 H SER 10 H SER 10 -23.065 6.723 7.939 75 HA SER 10 HA SER 10 -22.147 8.139 10.268 76 HB2 SER 10 HB2 SER 10 -24.138 7.016 11.339 77 HB3 SER 10 HB3 SER 10 -24.536 7.963 9.906 78 HG SER 10 HG SER 10 -25.519 6.131 9.430 79 HA PRO 11 HA PRO 11 -19.670 5.057 12.305 80 HB2 PRO 11 HB2 PRO 11 -21.125 4.801 14.700 81 HB3 PRO 11 HB3 PRO 11 -19.782 5.906 14.405 82 HG2 PRO 11 HG2 PRO 11 -22.714 6.413 14.306 83 HG3 PRO 11 HG3 PRO 11 -21.403 7.487 14.828 84 HD2 PRO 11 HD2 PRO 11 -22.599 7.828 12.468 85 HD3 PRO 11 HD3 PRO 11 -20.849 8.071 12.645 86 H GLU 12 H GLU 12 -23.155 4.666 12.416 87 HA GLU 12 HA GLU 12 -23.112 1.858 12.946 88 HB2 GLU 12 HB2 GLU 12 -25.338 3.600 11.868 89 HB3 GLU 12 HB3 GLU 12 -25.522 1.985 12.543 90 HG2 GLU 12 HG2 GLU 12 -24.849 2.752 14.714 91 HG3 GLU 12 HG3 GLU 12 -24.462 4.350 14.074 92 H GLU 13 H GLU 13 -23.151 3.882 10.099 93 HA GLU 13 HA GLU 13 -23.824 1.746 8.295 94 HB2 GLU 13 HB2 GLU 13 -24.223 4.297 7.998 95 HB3 GLU 13 HB3 GLU 13 -22.550 4.331 7.459 96 HG2 GLU 13 HG2 GLU 13 -24.066 4.170 5.574 97 HG3 GLU 13 HG3 GLU 13 -23.070 2.720 5.705 98 H GLU 14 H GLU 14 -20.890 3.372 9.382 99 HA GLU 14 HA GLU 14 -19.110 2.123 7.585 100 HB2 GLU 14 HB2 GLU 14 -18.570 3.110 10.394 101 HB3 GLU 14 HB3 GLU 14 -17.347 2.744 9.182 102 HG2 GLU 14 HG2 GLU 14 -18.264 4.520 7.751 103 HG3 GLU 14 HG3 GLU 14 -19.438 4.904 9.007 104 H ALA 15 H ALA 15 -20.357 1.169 10.745 105 HA ALA 15 HA ALA 15 -18.817 -1.199 10.994 106 HB1 ALA 15 HB1 ALA 15 -20.434 -1.842 12.700 107 HB2 ALA 15 HB2 ALA 15 -21.510 -0.547 12.179 108 HB3 ALA 15 HB3 ALA 15 -19.946 -0.160 12.896 109 H HIS 16 H HIS 16 -21.818 -0.433 9.420 110 HA HIS 16 HA HIS 16 -22.547 -3.085 8.721 111 HB2 HIS 16 HB2 HIS 16 -24.226 -1.324 8.865 112 HB3 HIS 16 HB3 HIS 16 -23.416 -0.411 7.599 113 HD1 HIS 16 HD1 HIS 16 -25.140 -0.413 5.823 114 HD2 HIS 16 HD2 HIS 16 -24.414 -4.230 7.320 115 HE1 HIS 16 HE1 HIS 16 -26.446 -1.990 4.350 116 HE2 HIS 16 HE2 HIS 16 -26.183 -4.247 5.433 117 H LEU 17 H LEU 17 -20.509 -0.622 7.372 118 HA LEU 17 HA LEU 17 -20.297 -1.667 4.754 119 HB2 LEU 17 HB2 LEU 17 -19.632 0.631 5.437 120 HB3 LEU 17 HB3 LEU 17 -18.279 -0.049 6.316 121 HG LEU 17 HG LEU 17 -17.276 -0.830 4.241 122 HD11 LEU 17 HD11 LEU 17 -19.730 0.341 2.950 123 HD12 LEU 17 HD12 LEU 17 -19.223 -1.349 2.942 124 HD13 LEU 17 HD13 LEU 17 -18.275 -0.139 2.082 125 HD21 LEU 17 HD21 LEU 17 -18.141 2.050 4.170 126 HD22 LEU 17 HD22 LEU 17 -16.835 1.361 3.207 127 HD23 LEU 17 HD23 LEU 17 -16.712 1.393 4.965 128 H ARG 18 H ARG 18 -18.282 -2.040 7.673 129 HA ARG 18 HA ARG 18 -16.681 -4.084 6.493 130 HB2 ARG 18 HB2 ARG 18 -15.765 -4.434 8.713 131 HB3 ARG 18 HB3 ARG 18 -15.851 -2.715 8.369 132 HG2 ARG 18 HG2 ARG 18 -17.875 -2.550 9.729 133 HG3 ARG 18 HG3 ARG 18 -17.765 -4.272 10.091 134 HD2 ARG 18 HD2 ARG 18 -15.589 -3.912 11.147 135 HD3 ARG 18 HD3 ARG 18 -15.690 -2.194 10.769 136 HE ARG 18 HE ARG 18 -17.876 -3.228 12.356 137 HH11 ARG 18 HH11 ARG 18 -14.692 -1.777 12.384 138 HH12 ARG 18 HH12 ARG 18 -14.864 -1.113 13.975 139 HH21 ARG 18 HH21 ARG 18 -18.112 -2.348 14.462 140 HH22 ARG 18 HH22 ARG 18 -16.810 -1.435 15.158 141 H GLU 19 H GLU 19 -19.658 -3.949 8.302 142 HA GLU 19 HA GLU 19 -20.054 -6.504 9.138 143 HB2 GLU 19 HB2 GLU 19 -21.703 -4.814 9.546 144 HB3 GLU 19 HB3 GLU 19 -22.014 -4.640 7.827 145 HG2 GLU 19 HG2 GLU 19 -23.805 -5.842 8.917 146 HG3 GLU 19 HG3 GLU 19 -22.969 -6.875 7.760 147 H LEU 20 H LEU 20 -20.737 -5.215 5.927 148 HA LEU 20 HA LEU 20 -21.572 -7.718 4.852 149 HB2 LEU 20 HB2 LEU 20 -21.641 -4.994 4.121 150 HB3 LEU 20 HB3 LEU 20 -20.807 -5.842 2.834 151 HG LEU 20 HG LEU 20 -23.471 -6.771 3.871 152 HD11 LEU 20 HD11 LEU 20 -23.001 -4.910 1.555 153 HD12 LEU 20 HD12 LEU 20 -23.632 -4.420 3.123 154 HD13 LEU 20 HD13 LEU 20 -24.548 -5.540 2.116 155 HD21 LEU 20 HD21 LEU 20 -23.574 -7.803 1.633 156 HD22 LEU 20 HD22 LEU 20 -22.232 -8.401 2.612 157 HD23 LEU 20 HD23 LEU 20 -21.933 -7.232 1.326 158 H TYR 21 H TYR 21 -18.529 -6.015 5.053 159 HA TYR 21 HA TYR 21 -17.187 -7.544 3.051 160 HB2 TYR 21 HB2 TYR 21 -16.277 -5.383 3.765 161 HB3 TYR 21 HB3 TYR 21 -16.057 -5.999 5.400 162 HD1 TYR 21 HD1 TYR 21 -14.134 -7.260 5.983 163 HD2 TYR 21 HD2 TYR 21 -14.875 -6.334 1.902 164 HE1 TYR 21 HE1 TYR 21 -11.885 -8.064 5.399 165 HE2 TYR 21 HE2 TYR 21 -12.627 -7.133 1.308 166 HH TYR 21 HH TYR 21 -10.452 -7.496 2.364 167 H LEU 22 H LEU 22 -17.343 -7.683 6.574 168 HA LEU 22 HA LEU 22 -15.635 -9.897 6.899 169 HB2 LEU 22 HB2 LEU 22 -17.911 -9.100 8.712 170 HB3 LEU 22 HB3 LEU 22 -16.463 -9.983 9.150 171 HG LEU 22 HG LEU 22 -16.534 -7.100 8.265 172 HD11 LEU 22 HD11 LEU 22 -16.123 -8.269 11.005 173 HD12 LEU 22 HD12 LEU 22 -17.560 -7.411 10.447 174 HD13 LEU 22 HD13 LEU 22 -16.018 -6.563 10.572 175 HD21 LEU 22 HD21 LEU 22 -14.442 -8.285 7.710 176 HD22 LEU 22 HD22 LEU 22 -14.249 -8.685 9.416 177 HD23 LEU 22 HD23 LEU 22 -14.225 -6.998 8.894 178 H ALA 23 H ALA 23 -18.887 -9.639 5.869 179 HA ALA 23 HA ALA 23 -19.650 -12.327 6.521 180 HB1 ALA 23 HB1 ALA 23 -21.291 -10.493 6.385 181 HB2 ALA 23 HB2 ALA 23 -21.693 -11.840 5.319 182 HB3 ALA 23 HB3 ALA 23 -20.983 -10.370 4.654 183 H ASN 24 H ASN 24 -18.537 -10.659 3.560 184 HA ASN 24 HA ASN 24 -18.719 -13.240 2.167 185 HB2 ASN 24 HB2 ASN 24 -18.850 -10.412 1.145 186 HB3 ASN 24 HB3 ASN 24 -18.609 -11.790 0.074 187 HD21 ASN 24 HD21 ASN 24 -20.828 -10.136 2.170 188 HD22 ASN 24 HD22 ASN 24 -22.253 -10.982 1.664 189 H LYS 25 H LYS 25 -16.419 -11.539 3.697 190 HA LYS 25 HA LYS 25 -14.365 -11.216 1.810 191 HB2 LYS 25 HB2 LYS 25 -12.829 -11.231 3.774 192 HB3 LYS 25 HB3 LYS 25 -14.183 -10.120 3.930 193 HG2 LYS 25 HG2 LYS 25 -15.325 -11.648 5.401 194 HG3 LYS 25 HG3 LYS 25 -14.072 -12.864 5.162 195 HD2 LYS 25 HD2 LYS 25 -13.485 -10.141 6.295 196 HD3 LYS 25 HD3 LYS 25 -13.960 -11.505 7.308 197 HE2 LYS 25 HE2 LYS 25 -11.565 -11.401 5.475 198 HE3 LYS 25 HE3 LYS 25 -11.533 -11.255 7.230 199 HZ1 LYS 25 HZ1 LYS 25 -12.627 -13.535 7.229 200 HZ2 LYS 25 HZ2 LYS 25 -10.996 -13.464 6.806 201 HZ3 LYS 25 HZ3 LYS 25 -12.168 -13.638 5.603 202 H ASP 26 H ASP 26 -15.360 -14.005 3.685 203 HA ASP 26 HA ASP 26 -13.018 -15.489 2.782 204 HB2 ASP 26 HB2 ASP 26 -13.841 -17.262 4.331 205 HB3 ASP 26 HB3 ASP 26 -13.501 -15.728 5.121 206 H VAL 27 H VAL 27 -15.727 -14.723 1.332 207 HA VAL 27 HA VAL 27 -16.370 -17.366 0.286 208 HB VAL 27 HB VAL 27 -17.412 -14.664 -0.603 209 HG11 VAL 27 HG11 VAL 27 -17.597 -16.400 -2.318 210 HG12 VAL 27 HG12 VAL 27 -19.184 -15.947 -1.698 211 HG13 VAL 27 HG13 VAL 27 -18.428 -17.452 -1.171 212 HG21 VAL 27 HG21 VAL 27 -18.647 -16.689 1.261 213 HG22 VAL 27 HG22 VAL 27 -19.437 -15.232 0.662 214 HG23 VAL 27 HG23 VAL 27 -18.024 -15.106 1.709 215 H GLU 28 H GLU 28 -14.920 -18.175 -1.073 216 HA GLU 28 HA GLU 28 -13.107 -16.438 -2.490 217 HB2 GLU 28 HB2 GLU 28 -13.306 -19.452 -2.431 218 HB3 GLU 28 HB3 GLU 28 -11.985 -18.530 -3.137 219 HG2 GLU 28 HG2 GLU 28 -12.765 -18.389 -0.237 220 HG3 GLU 28 HG3 GLU 28 -11.527 -19.467 -0.873 221 H GLY 29 H GLY 29 -13.027 -16.061 -4.635 222 HA2 GLY 29 HA2 GLY 29 -13.451 -16.509 -6.908 223 HA3 GLY 29 HA3 GLY 29 -14.720 -17.622 -6.431 224 H GLN 30 H GLN 30 -15.654 -15.358 -4.534 225 HA GLN 30 HA GLN 30 -17.331 -14.085 -6.568 226 HB2 GLN 30 HB2 GLN 30 -18.559 -15.135 -4.760 227 HB3 GLN 30 HB3 GLN 30 -17.624 -14.250 -3.561 228 HG2 GLN 30 HG2 GLN 30 -18.545 -12.138 -4.555 229 HG3 GLN 30 HG3 GLN 30 -19.631 -13.137 -5.490 230 HE21 GLN 30 HE21 GLN 30 -18.868 -11.875 -2.444 231 HE22 GLN 30 HE22 GLN 30 -20.310 -12.350 -1.629 232 H ASP 31 H ASP 31 -17.489 -11.885 -6.811 233 HA ASP 31 HA ASP 31 -15.481 -10.123 -5.920 234 HB2 ASP 31 HB2 ASP 31 -18.276 -9.690 -6.964 235 HB3 ASP 31 HB3 ASP 31 -17.266 -8.337 -6.462 236 H VAL 32 H VAL 32 -15.163 -10.085 -3.721 237 HA VAL 32 HA VAL 32 -17.177 -10.163 -1.785 238 HB VAL 32 HB VAL 32 -14.744 -10.502 -1.298 239 HG11 VAL 32 HG11 VAL 32 -13.784 -8.654 -2.514 240 HG12 VAL 32 HG12 VAL 32 -13.388 -8.483 -0.803 241 HG13 VAL 32 HG13 VAL 32 -14.666 -7.495 -1.519 242 HG21 VAL 32 HG21 VAL 32 -14.808 -9.354 0.908 243 HG22 VAL 32 HG22 VAL 32 -16.281 -10.246 0.527 244 HG23 VAL 32 HG23 VAL 32 -16.249 -8.491 0.367 245 H VAL 33 H VAL 33 -15.801 -7.494 -3.603 246 HA VAL 33 HA VAL 33 -16.878 -5.497 -1.893 247 HB VAL 33 HB VAL 33 -14.857 -5.218 -3.356 248 HG11 VAL 33 HG11 VAL 33 -16.903 -4.748 -5.511 249 HG12 VAL 33 HG12 VAL 33 -15.760 -6.088 -5.442 250 HG13 VAL 33 HG13 VAL 33 -15.171 -4.438 -5.637 251 HG21 VAL 33 HG21 VAL 33 -15.536 -2.811 -3.942 252 HG22 VAL 33 HG22 VAL 33 -15.593 -3.317 -2.254 253 HG23 VAL 33 HG23 VAL 33 -17.079 -3.229 -3.197 254 H GLU 34 H GLU 34 -17.937 -6.970 -4.938 255 HA GLU 34 HA GLU 34 -20.101 -5.169 -5.283 256 HB2 GLU 34 HB2 GLU 34 -19.445 -7.831 -6.489 257 HB3 GLU 34 HB3 GLU 34 -21.005 -7.073 -6.781 258 HG2 GLU 34 HG2 GLU 34 -19.661 -5.017 -7.486 259 HG3 GLU 34 HG3 GLU 34 -18.279 -6.110 -7.562 260 H ALA 35 H ALA 35 -19.650 -8.069 -3.444 261 HA ALA 35 HA ALA 35 -22.343 -8.504 -2.749 262 HB1 ALA 35 HB1 ALA 35 -19.864 -8.933 -1.076 263 HB2 ALA 35 HB2 ALA 35 -20.551 -10.093 -2.214 264 HB3 ALA 35 HB3 ALA 35 -21.454 -9.633 -0.770 265 H ILE 36 H ILE 36 -19.816 -6.434 -1.432 266 HA ILE 36 HA ILE 36 -21.381 -5.448 0.728 267 HB ILE 36 HB ILE 36 -18.911 -4.213 -0.485 268 HG12 ILE 36 HG12 ILE 36 -19.073 -6.169 1.809 269 HG13 ILE 36 HG13 ILE 36 -18.713 -6.646 0.154 270 HG21 ILE 36 HG21 ILE 36 -18.593 -3.262 1.753 271 HG22 ILE 36 HG22 ILE 36 -20.116 -3.984 2.274 272 HG23 ILE 36 HG23 ILE 36 -20.114 -2.732 1.033 273 HD11 ILE 36 HD11 ILE 36 -17.096 -4.825 1.900 274 HD12 ILE 36 HD12 ILE 36 -16.756 -5.148 0.203 275 HD13 ILE 36 HD13 ILE 36 -16.684 -6.456 1.379 276 H LEU 37 H LEU 37 -20.135 -3.792 -2.183 277 HA LEU 37 HA LEU 37 -21.514 -1.412 -1.541 278 HB2 LEU 37 HB2 LEU 37 -20.856 -0.702 -3.874 279 HB3 LEU 37 HB3 LEU 37 -19.571 -1.107 -2.760 280 HG LEU 37 HG LEU 37 -19.478 -3.381 -3.892 281 HD11 LEU 37 HD11 LEU 37 -21.273 -1.938 -5.826 282 HD12 LEU 37 HD12 LEU 37 -21.538 -3.496 -5.048 283 HD13 LEU 37 HD13 LEU 37 -20.287 -3.325 -6.278 284 HD21 LEU 37 HD21 LEU 37 -18.237 -2.424 -5.862 285 HD22 LEU 37 HD22 LEU 37 -17.743 -1.840 -4.275 286 HD23 LEU 37 HD23 LEU 37 -18.753 -0.834 -5.302 287 H ALA 38 H ALA 38 -22.604 -4.199 -3.201 288 HA ALA 38 HA ALA 38 -24.719 -2.726 -4.544 289 HB1 ALA 38 HB1 ALA 38 -23.600 -4.618 -5.672 290 HB2 ALA 38 HB2 ALA 38 -25.351 -4.794 -5.563 291 HB3 ALA 38 HB3 ALA 38 -24.306 -5.703 -4.471 292 H HIS 39 H HIS 39 -24.295 -4.691 -1.673 293 HA HIS 39 HA HIS 39 -27.131 -5.185 -1.414 294 HB2 HIS 39 HB2 HIS 39 -24.733 -5.918 0.206 295 HB3 HIS 39 HB3 HIS 39 -26.330 -6.012 0.940 296 HD1 HIS 39 HD1 HIS 39 -27.641 -8.082 0.485 297 HD2 HIS 39 HD2 HIS 39 -24.436 -7.627 -2.108 298 HE1 HIS 39 HE1 HIS 39 -27.581 -10.186 -0.889 299 HE2 HIS 39 HE2 HIS 39 -25.729 -9.825 -2.555 300 H LEU 40 H LEU 40 -24.836 -2.856 -0.134 301 HA LEU 40 HA LEU 40 -26.867 -1.902 1.707 302 HB2 LEU 40 HB2 LEU 40 -25.001 -0.078 2.121 303 HB3 LEU 40 HB3 LEU 40 -24.959 -1.654 2.876 304 HG LEU 40 HG LEU 40 -23.397 -2.356 0.982 305 HD11 LEU 40 HD11 LEU 40 -23.711 -0.626 -0.609 306 HD12 LEU 40 HD12 LEU 40 -22.079 -0.447 0.041 307 HD13 LEU 40 HD13 LEU 40 -23.368 0.622 0.588 308 HD21 LEU 40 HD21 LEU 40 -21.456 -1.383 2.109 309 HD22 LEU 40 HD22 LEU 40 -22.648 -1.989 3.258 310 HD23 LEU 40 HD23 LEU 40 -22.517 -0.257 2.953 311 H ASN 41 H ASN 41 -28.460 -1.205 0.328 312 HA ASN 41 HA ASN 41 -27.872 0.848 -1.635 313 HB2 ASN 41 HB2 ASN 41 -30.436 -0.490 -0.764 314 HB3 ASN 41 HB3 ASN 41 -30.401 0.830 -1.929 315 HD21 ASN 41 HD21 ASN 41 -29.466 0.492 -3.950 316 HD22 ASN 41 HD22 ASN 41 -29.182 -1.098 -4.568 317 H THR 42 H THR 42 -27.180 1.505 0.961 318 HA THR 42 HA THR 42 -29.145 3.530 1.759 319 HB THR 42 HB THR 42 -28.590 2.119 3.593 320 HG1 THR 42 HG1 THR 42 -27.226 3.650 4.922 321 HG21 THR 42 HG21 THR 42 -26.281 1.684 4.324 322 HG22 THR 42 HG22 THR 42 -25.683 2.574 2.921 323 HG23 THR 42 HG23 THR 42 -26.588 1.077 2.698 324 H VAL 43 H VAL 43 -26.277 3.064 0.087 325 HA VAL 43 HA VAL 43 -25.683 5.931 0.184 326 HB VAL 43 HB VAL 43 -23.215 5.226 -0.162 327 HG11 VAL 43 HG11 VAL 43 -22.816 5.203 2.243 328 HG12 VAL 43 HG12 VAL 43 -24.529 4.886 2.529 329 HG13 VAL 43 HG13 VAL 43 -24.021 6.409 1.800 330 HG21 VAL 43 HG21 VAL 43 -23.579 2.849 -0.460 331 HG22 VAL 43 HG22 VAL 43 -24.318 2.735 1.136 332 HG23 VAL 43 HG23 VAL 43 -22.604 3.129 0.983 333 HA PRO 44 HA PRO 44 -25.785 5.032 -4.289 334 HB2 PRO 44 HB2 PRO 44 -26.487 7.854 -4.488 335 HB3 PRO 44 HB3 PRO 44 -27.395 6.445 -5.041 336 HG2 PRO 44 HG2 PRO 44 -28.198 8.000 -2.961 337 HG3 PRO 44 HG3 PRO 44 -28.574 6.273 -3.082 338 HD2 PRO 44 HD2 PRO 44 -26.472 7.649 -1.458 339 HD3 PRO 44 HD3 PRO 44 -27.513 6.277 -1.024 340 H ARG 45 H ARG 45 -23.518 4.842 -4.153 341 HA ARG 45 HA ARG 45 -22.045 7.321 -4.675 342 HB2 ARG 45 HB2 ARG 45 -21.209 5.192 -2.694 343 HB3 ARG 45 HB3 ARG 45 -20.208 6.546 -3.200 344 HG2 ARG 45 HG2 ARG 45 -21.856 8.097 -2.262 345 HG3 ARG 45 HG3 ARG 45 -22.823 6.725 -1.715 346 HD2 ARG 45 HD2 ARG 45 -21.513 7.528 0.133 347 HD3 ARG 45 HD3 ARG 45 -20.880 5.965 -0.371 348 HE ARG 45 HE ARG 45 -19.151 7.273 -1.604 349 HH11 ARG 45 HH11 ARG 45 -20.722 8.628 1.228 350 HH12 ARG 45 HH12 ARG 45 -19.406 9.698 1.589 351 HH21 ARG 45 HH21 ARG 45 -17.439 8.717 -1.139 352 HH22 ARG 45 HH22 ARG 45 -17.549 9.757 0.243 353 H THR 46 H THR 46 -19.769 6.767 -5.443 354 HA THR 46 HA THR 46 -19.961 4.820 -7.526 355 HB THR 46 HB THR 46 -18.669 7.003 -7.656 356 HG1 THR 46 HG1 THR 46 -17.684 6.081 -9.283 357 HG21 THR 46 HG21 THR 46 -16.695 5.416 -6.013 358 HG22 THR 46 HG22 THR 46 -17.444 6.958 -5.596 359 HG23 THR 46 HG23 THR 46 -16.284 6.872 -6.921 360 H ARG 47 H ARG 47 -18.394 3.048 -7.791 361 HA ARG 47 HA ARG 47 -18.674 1.303 -5.596 362 HB2 ARG 47 HB2 ARG 47 -16.882 0.938 -8.000 363 HB3 ARG 47 HB3 ARG 47 -17.516 -0.328 -6.961 364 HG2 ARG 47 HG2 ARG 47 -19.065 1.412 -8.868 365 HG3 ARG 47 HG3 ARG 47 -18.764 -0.320 -8.995 366 HD2 ARG 47 HD2 ARG 47 -20.004 -0.534 -6.788 367 HD3 ARG 47 HD3 ARG 47 -20.521 1.129 -7.033 368 HE ARG 47 HE ARG 47 -21.065 -0.509 -9.304 369 HH11 ARG 47 HH11 ARG 47 -22.236 0.351 -6.107 370 HH12 ARG 47 HH12 ARG 47 -23.870 -0.133 -6.436 371 HH21 ARG 47 HH21 ARG 47 -23.229 -1.160 -9.726 372 HH22 ARG 47 HH22 ARG 47 -24.429 -1.004 -8.480 373 H LYS 48 H LYS 48 -16.051 3.272 -6.728 374 HA LYS 48 HA LYS 48 -13.863 2.171 -5.436 375 HB2 LYS 48 HB2 LYS 48 -13.669 3.929 -7.095 376 HB3 LYS 48 HB3 LYS 48 -14.507 5.058 -6.042 377 HG2 LYS 48 HG2 LYS 48 -12.629 4.849 -4.426 378 HG3 LYS 48 HG3 LYS 48 -11.782 3.864 -5.619 379 HD2 LYS 48 HD2 LYS 48 -11.040 6.195 -5.696 380 HD3 LYS 48 HD3 LYS 48 -11.827 5.720 -7.201 381 HE2 LYS 48 HE2 LYS 48 -13.834 6.877 -6.594 382 HE3 LYS 48 HE3 LYS 48 -13.233 7.174 -4.965 383 HZ1 LYS 48 HZ1 LYS 48 -13.035 9.143 -6.320 384 HZ2 LYS 48 HZ2 LYS 48 -12.117 8.312 -7.471 385 HZ3 LYS 48 HZ3 LYS 48 -11.495 8.572 -5.922 386 H GLN 49 H GLN 49 -16.457 4.098 -4.105 387 HA GLN 49 HA GLN 49 -15.024 5.096 -1.871 388 HB2 GLN 49 HB2 GLN 49 -17.999 4.825 -2.301 389 HB3 GLN 49 HB3 GLN 49 -17.240 5.756 -1.015 390 HG2 GLN 49 HG2 GLN 49 -16.804 6.264 -3.945 391 HG3 GLN 49 HG3 GLN 49 -17.997 7.103 -2.962 392 HE21 GLN 49 HE21 GLN 49 -17.001 9.086 -3.391 393 HE22 GLN 49 HE22 GLN 49 -15.508 9.538 -2.639 394 H ILE 50 H ILE 50 -17.145 2.299 -2.314 395 HA ILE 50 HA ILE 50 -17.146 1.519 0.410 396 HB ILE 50 HB ILE 50 -17.775 0.078 -2.143 397 HG12 ILE 50 HG12 ILE 50 -19.953 -0.246 -0.742 398 HG13 ILE 50 HG13 ILE 50 -19.289 1.033 0.265 399 HG21 ILE 50 HG21 ILE 50 -16.661 -1.611 -0.845 400 HG22 ILE 50 HG22 ILE 50 -18.398 -1.919 -0.825 401 HG23 ILE 50 HG23 ILE 50 -17.614 -1.194 0.579 402 HD11 ILE 50 HD11 ILE 50 -19.205 2.504 -1.705 403 HD12 ILE 50 HD12 ILE 50 -20.837 1.943 -1.333 404 HD13 ILE 50 HD13 ILE 50 -19.942 1.215 -2.665 405 H ILE 51 H ILE 51 -15.201 0.492 -2.372 406 HA ILE 51 HA ILE 51 -13.510 -1.349 -1.188 407 HB ILE 51 HB ILE 51 -12.812 0.739 -3.262 408 HG12 ILE 51 HG12 ILE 51 -13.601 -2.155 -3.613 409 HG13 ILE 51 HG13 ILE 51 -14.665 -0.782 -3.893 410 HG21 ILE 51 HG21 ILE 51 -10.961 -0.753 -3.876 411 HG22 ILE 51 HG22 ILE 51 -11.348 -1.779 -2.497 412 HG23 ILE 51 HG23 ILE 51 -10.804 -0.121 -2.237 413 HD11 ILE 51 HD11 ILE 51 -13.780 -1.638 -5.978 414 HD12 ILE 51 HD12 ILE 51 -12.132 -1.401 -5.395 415 HD13 ILE 51 HD13 ILE 51 -13.177 -0.009 -5.672 416 H HIS 52 H HIS 52 -13.172 2.145 -1.418 417 HA HIS 52 HA HIS 52 -10.609 2.319 -0.354 418 HB2 HIS 52 HB2 HIS 52 -12.756 4.164 -1.071 419 HB3 HIS 52 HB3 HIS 52 -11.708 4.758 0.215 420 HD1 HIS 52 HD1 HIS 52 -10.107 6.292 -0.852 421 HD2 HIS 52 HD2 HIS 52 -10.681 2.844 -3.118 422 HE1 HIS 52 HE1 HIS 52 -8.446 6.429 -2.720 423 HE2 HIS 52 HE2 HIS 52 -8.776 4.323 -4.060 424 H HIS 53 H HIS 53 -13.733 2.893 1.320 425 HA HIS 53 HA HIS 53 -12.551 3.671 3.746 426 HB2 HIS 53 HB2 HIS 53 -15.238 2.402 3.258 427 HB3 HIS 53 HB3 HIS 53 -14.736 3.100 4.790 428 HD1 HIS 53 HD1 HIS 53 -13.438 5.707 3.734 429 HD2 HIS 53 HD2 HIS 53 -17.108 4.187 2.481 430 HE1 HIS 53 HE1 HIS 53 -14.708 7.682 2.845 431 HE2 HIS 53 HE2 HIS 53 -17.008 6.785 2.359 432 H LEU 54 H LEU 54 -13.233 0.504 2.461 433 HA LEU 54 HA LEU 54 -13.041 -0.906 4.912 434 HB2 LEU 54 HB2 LEU 54 -12.764 -1.770 2.044 435 HB3 LEU 54 HB3 LEU 54 -12.667 -2.891 3.387 436 HG LEU 54 HG LEU 54 -15.061 -1.134 2.882 437 HD11 LEU 54 HD11 LEU 54 -14.665 -2.651 0.996 438 HD12 LEU 54 HD12 LEU 54 -16.119 -3.069 1.899 439 HD13 LEU 54 HD13 LEU 54 -14.647 -4.014 2.112 440 HD21 LEU 54 HD21 LEU 54 -16.186 -2.641 4.404 441 HD22 LEU 54 HD22 LEU 54 -14.751 -1.982 5.190 442 HD23 LEU 54 HD23 LEU 54 -14.732 -3.626 4.557 443 H VAL 55 H VAL 55 -10.710 -0.281 2.303 444 HA VAL 55 HA VAL 55 -8.598 -1.634 3.699 445 HB VAL 55 HB VAL 55 -7.140 -0.971 1.945 446 HG11 VAL 55 HG11 VAL 55 -8.666 -2.691 1.300 447 HG12 VAL 55 HG12 VAL 55 -8.433 -1.618 -0.079 448 HG13 VAL 55 HG13 VAL 55 -9.905 -1.509 0.887 449 HG21 VAL 55 HG21 VAL 55 -7.699 1.405 1.837 450 HG22 VAL 55 HG22 VAL 55 -9.235 1.015 1.061 451 HG23 VAL 55 HG23 VAL 55 -7.715 0.670 0.232 452 H GLN 56 H GLN 56 -9.973 1.484 3.707 453 HA GLN 56 HA GLN 56 -7.807 2.891 4.889 454 HB2 GLN 56 HB2 GLN 56 -10.737 3.402 4.554 455 HB3 GLN 56 HB3 GLN 56 -9.797 4.433 5.615 456 HG2 GLN 56 HG2 GLN 56 -8.460 5.215 3.855 457 HG3 GLN 56 HG3 GLN 56 -8.985 3.930 2.772 458 HE21 GLN 56 HE21 GLN 56 -9.623 5.342 1.188 459 HE22 GLN 56 HE22 GLN 56 -11.030 6.348 1.336 460 H MET 57 H MET 57 -10.512 1.020 6.135 461 HA MET 57 HA MET 57 -9.907 1.745 8.860 462 HB2 MET 57 HB2 MET 57 -11.930 -0.061 7.590 463 HB3 MET 57 HB3 MET 57 -11.642 -0.130 9.325 464 HG2 MET 57 HG2 MET 57 -12.163 2.265 9.488 465 HG3 MET 57 HG3 MET 57 -12.500 2.294 7.761 466 HE1 MET 57 HE1 MET 57 -15.799 0.351 7.405 467 HE2 MET 57 HE2 MET 57 -14.153 -0.171 7.041 468 HE3 MET 57 HE3 MET 57 -14.663 1.473 6.657 469 H GLY 58 H GLY 58 -8.257 -0.071 6.824 470 HA2 GLY 58 HA2 GLY 58 -6.480 -1.481 7.193 471 HA3 GLY 58 HA3 GLY 58 -6.754 -1.277 8.914 472 H LEU 59 H LEU 59 -9.587 -2.295 7.525 473 HA LEU 59 HA LEU 59 -9.243 -4.945 8.626 474 HB2 LEU 59 HB2 LEU 59 -11.638 -5.237 8.123 475 HB3 LEU 59 HB3 LEU 59 -11.313 -3.822 9.101 476 HG LEU 59 HG LEU 59 -11.367 -2.583 6.783 477 HD11 LEU 59 HD11 LEU 59 -11.545 -4.633 5.459 478 HD12 LEU 59 HD12 LEU 59 -12.920 -3.559 5.220 479 HD13 LEU 59 HD13 LEU 59 -13.088 -4.990 6.237 480 HD21 LEU 59 HD21 LEU 59 -13.813 -3.561 8.241 481 HD22 LEU 59 HD22 LEU 59 -13.782 -2.220 7.100 482 HD23 LEU 59 HD23 LEU 59 -12.873 -2.116 8.607 483 H ALA 60 H ALA 60 -9.027 -3.401 5.622 484 HA ALA 60 HA ALA 60 -8.814 -6.021 4.270 485 HB1 ALA 60 HB1 ALA 60 -10.539 -4.685 3.249 486 HB2 ALA 60 HB2 ALA 60 -9.153 -4.771 2.159 487 HB3 ALA 60 HB3 ALA 60 -9.440 -3.314 3.105 488 H ASP 61 H ASP 61 -7.198 -5.935 2.394 489 HA ASP 61 HA ASP 61 -4.657 -5.122 3.456 490 HB2 ASP 61 HB2 ASP 61 -4.910 -7.175 2.099 491 HB3 ASP 61 HB3 ASP 61 -5.356 -6.189 0.710 492 H SER 62 H SER 62 -6.126 -4.450 0.306 493 HA SER 62 HA SER 62 -5.754 -1.641 0.483 494 HB2 SER 62 HB2 SER 62 -4.091 -1.470 -1.335 495 HB3 SER 62 HB3 SER 62 -3.421 -2.229 0.102 496 HG SER 62 HG SER 62 -3.556 -4.219 -0.889 497 H VAL 63 H VAL 63 -6.041 -0.706 -1.877 498 HA VAL 63 HA VAL 63 -8.540 -1.603 -2.827 499 HB VAL 63 HB VAL 63 -6.485 0.218 -4.098 500 HG11 VAL 63 HG11 VAL 63 -9.356 -0.221 -4.914 501 HG12 VAL 63 HG12 VAL 63 -7.933 -0.721 -5.826 502 HG13 VAL 63 HG13 VAL 63 -8.267 0.994 -5.580 503 HG21 VAL 63 HG21 VAL 63 -9.022 0.794 -2.575 504 HG22 VAL 63 HG22 VAL 63 -8.003 2.003 -3.358 505 HG23 VAL 63 HG23 VAL 63 -7.373 1.058 -2.010 506 H LYS 64 H LYS 64 -5.289 -2.459 -3.564 507 HA LYS 64 HA LYS 64 -5.683 -3.443 -6.191 508 HB2 LYS 64 HB2 LYS 64 -3.544 -4.302 -4.262 509 HB3 LYS 64 HB3 LYS 64 -3.475 -4.332 -6.009 510 HG2 LYS 64 HG2 LYS 64 -3.618 -1.845 -5.996 511 HG3 LYS 64 HG3 LYS 64 -3.480 -1.904 -4.240 512 HD2 LYS 64 HD2 LYS 64 -1.449 -2.916 -6.227 513 HD3 LYS 64 HD3 LYS 64 -1.317 -1.447 -5.263 514 HE2 LYS 64 HE2 LYS 64 -1.408 -4.275 -4.214 515 HE3 LYS 64 HE3 LYS 64 0.019 -3.248 -4.309 516 HZ1 LYS 64 HZ1 LYS 64 -2.373 -2.819 -2.599 517 HZ2 LYS 64 HZ2 LYS 64 -1.116 -1.700 -2.766 518 HZ3 LYS 64 HZ3 LYS 64 -0.810 -3.217 -2.085 519 H ASP 65 H ASP 65 -6.237 -4.790 -3.044 520 HA ASP 65 HA ASP 65 -6.244 -7.532 -3.880 521 HB2 ASP 65 HB2 ASP 65 -5.840 -6.869 -1.532 522 HB3 ASP 65 HB3 ASP 65 -7.493 -6.272 -1.426 523 H PHE 66 H PHE 66 -8.570 -4.959 -3.626 524 HA PHE 66 HA PHE 66 -10.860 -6.591 -4.265 525 HB2 PHE 66 HB2 PHE 66 -10.431 -3.592 -4.289 526 HB3 PHE 66 HB3 PHE 66 -11.968 -4.363 -4.642 527 HD1 PHE 66 HD1 PHE 66 -9.382 -4.673 -1.966 528 HD2 PHE 66 HD2 PHE 66 -13.472 -4.147 -2.983 529 HE1 PHE 66 HE1 PHE 66 -9.956 -4.576 0.414 530 HE2 PHE 66 HE2 PHE 66 -14.061 -4.061 -0.601 531 HZ PHE 66 HZ PHE 66 -12.300 -4.269 1.108 532 H GLN 67 H GLN 67 -8.776 -4.278 -5.861 533 HA GLN 67 HA GLN 67 -9.447 -5.301 -8.494 534 HB2 GLN 67 HB2 GLN 67 -10.116 -2.544 -7.469 535 HB3 GLN 67 HB3 GLN 67 -9.784 -2.808 -9.185 536 HG2 GLN 67 HG2 GLN 67 -11.619 -4.398 -9.318 537 HG3 GLN 67 HG3 GLN 67 -11.915 -4.218 -7.589 538 HE21 GLN 67 HE21 GLN 67 -14.041 -3.582 -8.016 539 HE22 GLN 67 HE22 GLN 67 -14.404 -1.988 -8.581 540 H ARG 68 H ARG 68 -7.302 -5.895 -8.816 541 HA ARG 68 HA ARG 68 -5.167 -4.125 -8.129 542 HB2 ARG 68 HB2 ARG 68 -4.999 -6.646 -8.199 543 HB3 ARG 68 HB3 ARG 68 -4.983 -6.522 -9.953 544 HG2 ARG 68 HG2 ARG 68 -2.921 -5.375 -9.955 545 HG3 ARG 68 HG3 ARG 68 -2.997 -5.087 -8.214 546 HD2 ARG 68 HD2 ARG 68 -1.443 -6.836 -8.528 547 HD3 ARG 68 HD3 ARG 68 -2.911 -7.586 -7.916 548 HE ARG 68 HE ARG 68 -2.076 -7.648 -10.746 549 HH11 ARG 68 HH11 ARG 68 -3.702 -9.106 -8.004 550 HH12 ARG 68 HH12 ARG 68 -3.956 -10.626 -8.796 551 HH21 ARG 68 HH21 ARG 68 -2.396 -9.656 -11.790 552 HH22 ARG 68 HH22 ARG 68 -3.201 -10.943 -10.947 553 H LYS 69 H LYS 69 -6.080 -2.329 -9.238 554 HA LYS 69 HA LYS 69 -4.540 -1.895 -11.662 555 HB2 LYS 69 HB2 LYS 69 -6.787 -2.569 -12.481 556 HB3 LYS 69 HB3 LYS 69 -7.514 -1.302 -11.509 557 HG2 LYS 69 HG2 LYS 69 -6.317 0.384 -12.841 558 HG3 LYS 69 HG3 LYS 69 -5.644 -0.905 -13.838 559 HD2 LYS 69 HD2 LYS 69 -7.816 -1.522 -14.627 560 HD3 LYS 69 HD3 LYS 69 -8.597 -0.436 -13.477 561 HE2 LYS 69 HE2 LYS 69 -6.759 0.446 -15.695 562 HE3 LYS 69 HE3 LYS 69 -8.520 0.456 -15.794 563 HZ1 LYS 69 HZ1 LYS 69 -7.634 2.631 -15.200 564 HZ2 LYS 69 HZ2 LYS 69 -6.901 1.981 -13.824 565 HZ3 LYS 69 HZ3 LYS 69 -8.585 2.007 -13.949 566 H GLY 70 H GLY 70 -4.736 -1.179 -8.731 567 HA2 GLY 70 HA2 GLY 70 -5.248 1.708 -8.950 568 HA3 GLY 70 HA3 GLY 70 -5.619 0.759 -7.519 569 H THR 71 H THR 71 -2.686 0.621 -9.504 570 HA THR 71 HA THR 71 -1.098 1.145 -7.150 571 HB THR 71 HB THR 71 0.829 1.088 -8.886 572 HG1 THR 71 HG1 THR 71 0.169 -0.206 -10.763 573 HG21 THR 71 HG21 THR 71 0.838 -1.365 -8.854 574 HG22 THR 71 HG22 THR 71 -0.856 -1.370 -8.369 575 HG23 THR 71 HG23 THR 71 0.369 -0.706 -7.289 576 H HIS 72 H HIS 72 -1.710 3.206 -6.595 577 HA HIS 72 HA HIS 72 -1.447 5.528 -8.089 578 HB2 HIS 72 HB2 HIS 72 -1.147 6.676 -6.005 579 HB3 HIS 72 HB3 HIS 72 -2.162 5.286 -5.627 580 HD1 HIS 72 HD1 HIS 72 -0.781 3.151 -4.645 581 HD2 HIS 72 HD2 HIS 72 1.140 6.816 -4.586 582 HE1 HIS 72 HE1 HIS 72 1.286 2.804 -3.288 583 HE2 HIS 72 HE2 HIS 72 2.127 5.144 -2.862 584 H ILE 73 H ILE 73 0.420 6.792 -8.649 585 HA ILE 73 HA ILE 73 2.888 5.271 -8.358 586 HB ILE 73 HB ILE 73 1.232 5.394 -10.700 587 HG12 ILE 73 HG12 ILE 73 2.161 3.412 -9.429 588 HG13 ILE 73 HG13 ILE 73 2.316 3.342 -11.191 589 HG21 ILE 73 HG21 ILE 73 4.028 6.344 -10.978 590 HG22 ILE 73 HG22 ILE 73 2.554 6.990 -11.699 591 HG23 ILE 73 HG23 ILE 73 3.222 5.464 -12.280 592 HD11 ILE 73 HD11 ILE 73 4.645 3.961 -11.039 593 HD12 ILE 73 HD12 ILE 73 4.328 2.572 -9.998 594 HD13 ILE 73 HD13 ILE 73 4.501 4.180 -9.298 595 H VAL 74 H VAL 74 4.743 6.276 -8.642 596 HA VAL 74 HA VAL 74 4.846 9.099 -8.204 597 HB VAL 74 HB VAL 74 6.990 8.721 -7.542 598 HG11 VAL 74 HG11 VAL 74 6.369 5.804 -7.959 599 HG12 VAL 74 HG12 VAL 74 5.698 6.784 -6.650 600 HG13 VAL 74 HG13 VAL 74 7.441 6.527 -6.754 601 HG21 VAL 74 HG21 VAL 74 8.666 7.475 -8.796 602 HG22 VAL 74 HG22 VAL 74 7.809 8.593 -9.857 603 HG23 VAL 74 HG23 VAL 74 7.420 6.872 -9.891 604 H LEU 75 H LEU 75 5.762 10.642 -9.635 605 HA LEU 75 HA LEU 75 4.862 10.397 -12.246 606 HB2 LEU 75 HB2 LEU 75 5.364 12.528 -11.049 607 HB3 LEU 75 HB3 LEU 75 7.071 12.220 -11.342 608 HG LEU 75 HG LEU 75 6.486 12.091 -13.801 609 HD11 LEU 75 HD11 LEU 75 4.418 13.234 -14.479 610 HD12 LEU 75 HD12 LEU 75 3.939 13.339 -12.784 611 HD13 LEU 75 HD13 LEU 75 4.099 11.763 -13.556 612 HD21 LEU 75 HD21 LEU 75 6.490 14.521 -14.072 613 HD22 LEU 75 HD22 LEU 75 7.629 14.003 -12.829 614 HD23 LEU 75 HD23 LEU 75 6.082 14.710 -12.367 615 H TRP 76 H TRP 76 5.538 8.739 -13.432 616 HA TRP 76 HA TRP 76 8.419 8.292 -13.758 617 HB2 TRP 76 HB2 TRP 76 5.993 6.639 -14.448 618 HB3 TRP 76 HB3 TRP 76 7.592 6.253 -15.075 619 HD1 TRP 76 HD1 TRP 76 5.363 5.684 -12.224 620 HE1 TRP 76 HE1 TRP 76 6.556 4.364 -10.370 621 HE3 TRP 76 HE3 TRP 76 10.142 6.125 -13.904 622 HZ2 TRP 76 HZ2 TRP 76 9.168 3.597 -9.722 623 HZ3 TRP 76 HZ3 TRP 76 11.945 5.061 -12.604 624 HH2 TRP 76 HH2 TRP 76 11.462 3.832 -10.550 625 H THR 77 H THR 77 9.245 9.576 -15.289 626 HA THR 77 HA THR 77 7.805 9.830 -17.831 627 HB THR 77 HB THR 77 9.452 11.601 -18.360 628 HG1 THR 77 HG1 THR 77 10.825 12.316 -16.617 629 HG21 THR 77 HG21 THR 77 8.663 13.252 -16.690 630 HG22 THR 77 HG22 THR 77 8.019 11.924 -15.722 631 HG23 THR 77 HG23 THR 77 7.359 12.248 -17.324 632 H GLY 78 H GLY 78 9.600 9.949 -19.731 633 HA2 GLY 78 HA2 GLY 78 10.550 7.353 -20.091 634 HA3 GLY 78 HA3 GLY 78 11.100 8.753 -21.000 635 H ASP 79 H ASP 79 12.305 10.242 -19.048 636 HA ASP 79 HA ASP 79 14.818 8.917 -18.801 637 HB2 ASP 79 HB2 ASP 79 13.913 11.510 -17.527 638 HB3 ASP 79 HB3 ASP 79 15.576 10.970 -17.711 639 H GLN 80 H GLN 80 12.216 9.749 -16.566 640 HA GLN 80 HA GLN 80 13.582 9.074 -14.182 641 HB2 GLN 80 HB2 GLN 80 11.281 10.360 -14.692 642 HB3 GLN 80 HB3 GLN 80 10.622 8.779 -14.319 643 HG2 GLN 80 HG2 GLN 80 12.505 10.192 -12.475 644 HG3 GLN 80 HG3 GLN 80 10.771 10.505 -12.461 645 HE21 GLN 80 HE21 GLN 80 9.365 8.890 -11.796 646 HE22 GLN 80 HE22 GLN 80 9.915 7.521 -10.896 647 H GLU 81 H GLU 81 11.573 7.201 -16.424 648 HA GLU 81 HA GLU 81 11.471 4.880 -14.766 649 HB2 GLU 81 HB2 GLU 81 9.827 5.393 -16.581 650 HB3 GLU 81 HB3 GLU 81 11.081 5.024 -17.757 651 HG2 GLU 81 HG2 GLU 81 11.215 2.752 -16.960 652 HG3 GLU 81 HG3 GLU 81 10.045 3.101 -15.690 653 H LEU 82 H LEU 82 13.585 6.000 -17.344 654 HA LEU 82 HA LEU 82 15.144 3.678 -17.629 655 HB2 LEU 82 HB2 LEU 82 15.309 5.560 -19.177 656 HB3 LEU 82 HB3 LEU 82 15.955 6.573 -17.898 657 HG LEU 82 HG LEU 82 17.867 4.883 -17.749 658 HD11 LEU 82 HD11 LEU 82 18.315 3.607 -19.781 659 HD12 LEU 82 HD12 LEU 82 16.760 4.110 -20.442 660 HD13 LEU 82 HD13 LEU 82 16.820 3.090 -19.005 661 HD21 LEU 82 HD21 LEU 82 19.065 5.937 -19.604 662 HD22 LEU 82 HD22 LEU 82 18.156 7.100 -18.642 663 HD23 LEU 82 HD23 LEU 82 17.539 6.580 -20.210 664 H GLU 83 H GLU 83 15.269 6.361 -15.382 665 HA GLU 83 HA GLU 83 17.642 5.881 -14.064 666 HB2 GLU 83 HB2 GLU 83 16.264 7.829 -13.625 667 HB3 GLU 83 HB3 GLU 83 14.992 6.821 -12.952 668 HG2 GLU 83 HG2 GLU 83 16.535 6.159 -11.142 669 HG3 GLU 83 HG3 GLU 83 17.730 7.281 -11.796 670 H LEU 84 H LEU 84 14.432 4.518 -13.337 671 HA LEU 84 HA LEU 84 15.227 2.852 -11.229 672 HB2 LEU 84 HB2 LEU 84 12.885 3.324 -11.714 673 HB3 LEU 84 HB3 LEU 84 13.009 2.463 -13.235 674 HG LEU 84 HG LEU 84 13.516 0.379 -11.924 675 HD11 LEU 84 HD11 LEU 84 12.908 0.345 -9.555 676 HD12 LEU 84 HD12 LEU 84 12.672 2.092 -9.592 677 HD13 LEU 84 HD13 LEU 84 14.278 1.413 -9.858 678 HD21 LEU 84 HD21 LEU 84 11.202 -0.017 -11.272 679 HD22 LEU 84 HD22 LEU 84 11.295 0.812 -12.826 680 HD23 LEU 84 HD23 LEU 84 10.872 1.712 -11.368 681 H GLN 85 H GLN 85 14.916 2.201 -14.700 682 HA GLN 85 HA GLN 85 15.536 -0.501 -14.692 683 HB2 GLN 85 HB2 GLN 85 14.693 0.756 -16.651 684 HB3 GLN 85 HB3 GLN 85 16.261 1.533 -16.812 685 HG2 GLN 85 HG2 GLN 85 16.529 -1.338 -16.749 686 HG3 GLN 85 HG3 GLN 85 15.406 -0.830 -18.005 687 HE21 GLN 85 HE21 GLN 85 18.108 1.112 -16.920 688 HE22 GLN 85 HE22 GLN 85 19.018 0.987 -18.380 689 H ARG 86 H ARG 86 17.750 2.278 -14.992 690 HA ARG 86 HA ARG 86 20.083 0.684 -15.247 691 HB2 ARG 86 HB2 ARG 86 19.794 3.547 -14.323 692 HB3 ARG 86 HB3 ARG 86 21.314 2.772 -14.753 693 HG2 ARG 86 HG2 ARG 86 20.433 2.415 -17.042 694 HG3 ARG 86 HG3 ARG 86 18.981 3.306 -16.579 695 HD2 ARG 86 HD2 ARG 86 20.558 4.751 -17.757 696 HD3 ARG 86 HD3 ARG 86 20.328 5.279 -16.092 697 HE ARG 86 HE ARG 86 22.682 3.752 -17.015 698 HH11 ARG 86 HH11 ARG 86 21.236 6.251 -15.021 699 HH12 ARG 86 HH12 ARG 86 22.745 6.718 -14.305 700 HH21 ARG 86 HH21 ARG 86 24.661 4.386 -16.077 701 HH22 ARG 86 HH22 ARG 86 24.684 5.653 -14.890 702 H LEU 87 H LEU 87 18.641 2.364 -12.464 703 HA LEU 87 HA LEU 87 20.717 1.752 -10.661 704 HB2 LEU 87 HB2 LEU 87 18.792 3.486 -10.512 705 HB3 LEU 87 HB3 LEU 87 17.875 2.172 -9.802 706 HG LEU 87 HG LEU 87 19.663 1.963 -8.058 707 HD11 LEU 87 HD11 LEU 87 21.174 3.878 -7.757 708 HD12 LEU 87 HD12 LEU 87 20.632 4.527 -9.305 709 HD13 LEU 87 HD13 LEU 87 21.499 2.991 -9.245 710 HD21 LEU 87 HD21 LEU 87 17.568 3.173 -7.642 711 HD22 LEU 87 HD22 LEU 87 18.318 4.656 -8.235 712 HD23 LEU 87 HD23 LEU 87 18.925 3.885 -6.769 713 H PHE 88 H PHE 88 17.638 0.125 -11.343 714 HA PHE 88 HA PHE 88 17.662 -1.918 -9.509 715 HB2 PHE 88 HB2 PHE 88 15.802 -1.671 -10.948 716 HB3 PHE 88 HB3 PHE 88 16.799 -1.814 -12.388 717 HD1 PHE 88 HD1 PHE 88 16.994 -3.833 -13.471 718 HD2 PHE 88 HD2 PHE 88 15.598 -3.771 -9.452 719 HE1 PHE 88 HE1 PHE 88 16.448 -6.218 -13.633 720 HE2 PHE 88 HE2 PHE 88 15.047 -6.169 -9.612 721 HZ PHE 88 HZ PHE 88 15.479 -7.388 -11.705 722 H GLU 89 H GLU 89 19.337 -1.883 -12.645 723 HA GLU 89 HA GLU 89 20.410 -4.501 -12.427 724 HB2 GLU 89 HB2 GLU 89 21.337 -2.151 -14.079 725 HB3 GLU 89 HB3 GLU 89 21.786 -3.834 -14.341 726 HG2 GLU 89 HG2 GLU 89 18.926 -3.051 -14.280 727 HG3 GLU 89 HG3 GLU 89 19.883 -2.756 -15.738 728 H GLU 90 H GLU 90 21.326 -1.461 -11.204 729 HA GLU 90 HA GLU 90 24.124 -1.977 -10.921 730 HB2 GLU 90 HB2 GLU 90 22.221 0.150 -10.037 731 HB3 GLU 90 HB3 GLU 90 23.892 0.155 -9.461 732 HG2 GLU 90 HG2 GLU 90 23.010 0.217 -12.341 733 HG3 GLU 90 HG3 GLU 90 23.528 1.614 -11.405 734 H PHE 91 H PHE 91 21.296 -2.191 -8.806 735 HA PHE 91 HA PHE 91 23.074 -2.984 -6.597 736 HB2 PHE 91 HB2 PHE 91 20.240 -1.937 -6.543 737 HB3 PHE 91 HB3 PHE 91 21.102 -2.522 -5.124 738 HD1 PHE 91 HD1 PHE 91 20.011 0.340 -6.399 739 HD2 PHE 91 HD2 PHE 91 23.725 -1.425 -5.324 740 HE1 PHE 91 HE1 PHE 91 20.963 2.578 -6.041 741 HE2 PHE 91 HE2 PHE 91 24.691 0.808 -4.968 742 HZ PHE 91 HZ PHE 91 23.305 2.813 -5.324 743 H ARG 92 H ARG 92 21.450 -4.516 -8.921 744 HA ARG 92 HA ARG 92 19.842 -6.307 -7.386 745 HB2 ARG 92 HB2 ARG 92 19.534 -7.570 -9.448 746 HB3 ARG 92 HB3 ARG 92 19.259 -5.855 -9.695 747 HG2 ARG 92 HG2 ARG 92 21.430 -5.627 -10.735 748 HG3 ARG 92 HG3 ARG 92 21.775 -7.331 -10.426 749 HD2 ARG 92 HD2 ARG 92 19.469 -6.328 -12.086 750 HD3 ARG 92 HD3 ARG 92 21.015 -6.862 -12.752 751 HE ARG 92 HE ARG 92 20.220 -8.970 -11.254 752 HH11 ARG 92 HH11 ARG 92 18.687 -7.102 -13.801 753 HH12 ARG 92 HH12 ARG 92 17.693 -8.431 -14.328 754 HH21 ARG 92 HH21 ARG 92 18.936 -10.703 -11.965 755 HH22 ARG 92 HH22 ARG 92 17.838 -10.476 -13.291 756 H ASP 93 H ASP 93 23.160 -6.122 -7.880 757 HA ASP 93 HA ASP 93 23.752 -8.918 -7.709 758 HB2 ASP 93 HB2 ASP 93 25.418 -6.441 -7.277 759 HB3 ASP 93 HB3 ASP 93 26.064 -8.065 -7.056 760 H SER 94 H SER 94 22.336 -6.921 -5.554 761 HA SER 94 HA SER 94 23.512 -8.254 -3.217 762 HB2 SER 94 HB2 SER 94 23.364 -5.717 -3.286 763 HB3 SER 94 HB3 SER 94 21.612 -5.896 -3.220 764 HG SER 94 HG SER 94 23.536 -6.614 -1.271 765 H ASP 95 H ASP 95 21.676 -8.549 -1.430 766 HA ASP 95 HA ASP 95 19.925 -10.520 -2.571 767 HB2 ASP 95 HB2 ASP 95 19.339 -11.093 -0.306 768 HB3 ASP 95 HB3 ASP 95 21.075 -10.821 -0.373 769 H ASP 96 H ASP 96 19.565 -7.287 -1.263 770 HA ASP 96 HA ASP 96 16.742 -7.365 -2.095 771 HB2 ASP 96 HB2 ASP 96 17.011 -7.246 0.396 772 HB3 ASP 96 HB3 ASP 96 17.857 -5.719 0.186 773 H VAL 97 H VAL 97 16.940 -6.429 -4.049 774 HA VAL 97 HA VAL 97 18.768 -4.266 -4.498 775 HB VAL 97 HB VAL 97 18.337 -5.876 -6.280 776 HG11 VAL 97 HG11 VAL 97 16.226 -5.855 -7.529 777 HG12 VAL 97 HG12 VAL 97 15.538 -4.772 -6.316 778 HG13 VAL 97 HG13 VAL 97 16.017 -6.409 -5.867 779 HG21 VAL 97 HG21 VAL 97 19.068 -3.649 -6.911 780 HG22 VAL 97 HG22 VAL 97 17.393 -3.103 -6.985 781 HG23 VAL 97 HG23 VAL 97 17.979 -4.312 -8.129 782 H LEU 98 H LEU 98 15.336 -4.579 -3.909 783 HA LEU 98 HA LEU 98 14.574 -2.082 -4.982 784 HB2 LEU 98 HB2 LEU 98 13.294 -4.305 -3.759 785 HB3 LEU 98 HB3 LEU 98 12.746 -2.846 -2.953 786 HG LEU 98 HG LEU 98 12.186 -1.902 -5.202 787 HD11 LEU 98 HD11 LEU 98 13.562 -3.211 -6.641 788 HD12 LEU 98 HD12 LEU 98 11.876 -3.555 -7.032 789 HD13 LEU 98 HD13 LEU 98 12.813 -4.705 -6.081 790 HD21 LEU 98 HD21 LEU 98 10.475 -2.837 -3.767 791 HD22 LEU 98 HD22 LEU 98 10.801 -4.449 -4.404 792 HD23 LEU 98 HD23 LEU 98 10.138 -3.199 -5.458 793 H GLY 99 H GLY 99 15.377 -3.093 -1.671 794 HA2 GLY 99 HA2 GLY 99 14.658 -0.656 -0.427 795 HA3 GLY 99 HA3 GLY 99 15.793 -1.839 0.213 796 H HIS 100 H HIS 100 17.533 -1.656 -2.128 797 HA HIS 100 HA HIS 100 19.150 0.538 -1.227 798 HB2 HIS 100 HB2 HIS 100 19.516 -1.411 -3.521 799 HB3 HIS 100 HB3 HIS 100 20.714 -0.215 -3.041 800 HD1 HIS 100 HD1 HIS 100 22.458 -2.018 -2.422 801 HD2 HIS 100 HD2 HIS 100 18.906 -2.312 -0.286 802 HE1 HIS 100 HE1 HIS 100 22.904 -3.673 -0.586 803 HE2 HIS 100 HE2 HIS 100 20.683 -3.981 0.558 804 H ILE 101 H ILE 101 17.059 -0.178 -3.929 805 HA ILE 101 HA ILE 101 17.528 2.060 -5.543 806 HB ILE 101 HB ILE 101 14.876 0.695 -5.001 807 HG12 ILE 101 HG12 ILE 101 16.535 -0.907 -5.783 808 HG13 ILE 101 HG13 ILE 101 15.341 -0.605 -7.041 809 HG21 ILE 101 HG21 ILE 101 14.621 2.882 -6.062 810 HG22 ILE 101 HG22 ILE 101 14.164 1.573 -7.152 811 HG23 ILE 101 HG23 ILE 101 15.716 2.386 -7.353 812 HD11 ILE 101 HD11 ILE 101 16.905 0.861 -8.183 813 HD12 ILE 101 HD12 ILE 101 17.596 -0.743 -7.942 814 HD13 ILE 101 HD13 ILE 101 18.095 0.594 -6.912 815 H MET 102 H MET 102 15.233 1.581 -2.891 816 HA MET 102 HA MET 102 14.059 4.158 -3.053 817 HB2 MET 102 HB2 MET 102 14.105 2.421 -0.589 818 HB3 MET 102 HB3 MET 102 12.866 3.565 -1.095 819 HG2 MET 102 HG2 MET 102 12.045 2.142 -2.732 820 HG3 MET 102 HG3 MET 102 13.500 1.151 -2.742 821 HE1 MET 102 HE1 MET 102 10.034 1.798 -1.242 822 HE2 MET 102 HE2 MET 102 11.044 2.498 0.025 823 HE3 MET 102 HE3 MET 102 10.109 1.037 0.349 824 H LYS 103 H LYS 103 16.723 2.824 -1.207 825 HA LYS 103 HA LYS 103 16.812 5.031 0.633 826 HB2 LYS 103 HB2 LYS 103 17.641 2.432 0.729 827 HB3 LYS 103 HB3 LYS 103 19.160 3.273 0.464 828 HG2 LYS 103 HG2 LYS 103 18.859 3.008 2.811 829 HG3 LYS 103 HG3 LYS 103 18.629 4.715 2.423 830 HD2 LYS 103 HD2 LYS 103 16.216 4.435 2.491 831 HD3 LYS 103 HD3 LYS 103 16.405 2.704 2.779 832 HE2 LYS 103 HE2 LYS 103 17.359 4.901 4.612 833 HE3 LYS 103 HE3 LYS 103 15.892 3.947 4.835 834 HZ1 LYS 103 HZ1 LYS 103 17.700 3.088 6.172 835 HZ2 LYS 103 HZ2 LYS 103 18.664 2.883 4.802 836 HZ3 LYS 103 HZ3 LYS 103 17.264 1.957 4.995 837 H ASN 104 H ASN 104 18.130 4.389 -2.460 838 HA ASN 104 HA ASN 104 20.132 6.531 -2.075 839 HB2 ASN 104 HB2 ASN 104 20.969 4.184 -2.591 840 HB3 ASN 104 HB3 ASN 104 20.242 4.373 -4.182 841 HD21 ASN 104 HD21 ASN 104 22.139 4.309 -5.303 842 HD22 ASN 104 HD22 ASN 104 23.328 5.559 -5.225 843 H ILE 105 H ILE 105 17.170 6.411 -3.121 844 HA ILE 105 HA ILE 105 17.639 7.346 -5.851 845 HB ILE 105 HB ILE 105 15.993 5.520 -5.408 846 HG12 ILE 105 HG12 ILE 105 14.238 6.453 -6.934 847 HG13 ILE 105 HG13 ILE 105 15.038 8.016 -6.791 848 HG21 ILE 105 HG21 ILE 105 13.772 6.097 -4.598 849 HG22 ILE 105 HG22 ILE 105 14.317 7.739 -4.273 850 HG23 ILE 105 HG23 ILE 105 14.999 6.390 -3.368 851 HD11 ILE 105 HD11 ILE 105 16.288 5.501 -7.864 852 HD12 ILE 105 HD12 ILE 105 17.061 7.080 -7.758 853 HD13 ILE 105 HD13 ILE 105 15.679 6.845 -8.827 854 H THR 106 H THR 106 16.442 9.126 -6.680 855 HA THR 106 HA THR 106 16.604 11.425 -4.981 856 HB THR 106 HB THR 106 17.246 11.227 -7.442 857 HG1 THR 106 HG1 THR 106 16.200 13.457 -7.811 858 HG21 THR 106 HG21 THR 106 15.494 11.748 -9.088 859 HG22 THR 106 HG22 THR 106 14.275 11.641 -7.821 860 HG23 THR 106 HG23 THR 106 15.191 10.209 -8.283 861 H ALA 107 H ALA 107 14.093 9.291 -5.983 862 HA ALA 107 HA ALA 107 11.996 11.268 -5.433 863 HB1 ALA 107 HB1 ALA 107 11.789 8.563 -6.756 864 HB2 ALA 107 HB2 ALA 107 11.894 10.108 -7.602 865 HB3 ALA 107 HB3 ALA 107 10.490 9.745 -6.596 866 H LYS 108 H LYS 108 10.008 10.380 -4.329 867 HA LYS 108 HA LYS 108 10.752 8.625 -2.129 868 HB2 LYS 108 HB2 LYS 108 8.125 10.033 -2.633 869 HB3 LYS 108 HB3 LYS 108 8.588 9.196 -1.160 870 HG2 LYS 108 HG2 LYS 108 10.202 11.500 -2.158 871 HG3 LYS 108 HG3 LYS 108 8.706 11.773 -1.271 872 HD2 LYS 108 HD2 LYS 108 10.488 11.875 0.303 873 HD3 LYS 108 HD3 LYS 108 9.644 10.354 0.573 874 HE2 LYS 108 HE2 LYS 108 11.380 9.094 -0.353 875 HE3 LYS 108 HE3 LYS 108 12.079 10.487 -1.181 876 HZ1 LYS 108 HZ1 LYS 108 12.731 11.372 0.967 877 HZ2 LYS 108 HZ2 LYS 108 13.382 9.832 0.742 878 HZ3 LYS 108 HZ3 LYS 108 12.048 10.043 1.758 879 H ARG 109 H ARG 109 10.760 6.572 -2.682 880 HA ARG 109 HA ARG 109 8.588 5.589 -4.412 881 HB2 ARG 109 HB2 ARG 109 11.383 4.473 -4.090 882 HB3 ARG 109 HB3 ARG 109 10.138 3.852 -5.164 883 HG2 ARG 109 HG2 ARG 109 10.517 6.612 -5.728 884 HG3 ARG 109 HG3 ARG 109 12.093 5.819 -5.683 885 HD2 ARG 109 HD2 ARG 109 10.399 4.072 -7.073 886 HD3 ARG 109 HD3 ARG 109 10.034 5.682 -7.686 887 HE ARG 109 HE ARG 109 12.539 4.229 -7.951 888 HH11 ARG 109 HH11 ARG 109 10.855 7.267 -8.312 889 HH12 ARG 109 HH12 ARG 109 11.955 7.881 -9.508 890 HH21 ARG 109 HH21 ARG 109 14.010 5.067 -9.520 891 HH22 ARG 109 HH22 ARG 109 13.763 6.669 -10.157 892 H SER 110 H SER 110 7.177 4.352 -3.334 893 HA SER 110 HA SER 110 8.182 2.652 -1.179 894 HB2 SER 110 HB2 SER 110 5.783 2.087 -0.798 895 HB3 SER 110 HB3 SER 110 6.112 3.813 -0.652 896 HG SER 110 HG SER 110 4.324 2.666 -2.166 897 H ARG 111 H ARG 111 7.761 0.334 -1.269 898 HA ARG 111 HA ARG 111 8.843 -0.663 -3.652 899 HB2 ARG 111 HB2 ARG 111 7.591 -2.084 -1.314 900 HB3 ARG 111 HB3 ARG 111 8.373 -2.923 -2.650 901 HG2 ARG 111 HG2 ARG 111 10.449 -1.676 -2.161 902 HG3 ARG 111 HG3 ARG 111 9.649 -0.954 -0.765 903 HD2 ARG 111 HD2 ARG 111 9.431 -3.069 0.299 904 HD3 ARG 111 HD3 ARG 111 9.935 -3.921 -1.160 905 HE ARG 111 HE ARG 111 12.068 -2.369 -0.624 906 HH11 ARG 111 HH11 ARG 111 10.170 -4.506 1.392 907 HH12 ARG 111 HH12 ARG 111 11.514 -5.007 2.362 908 HH21 ARG 111 HH21 ARG 111 13.861 -3.040 0.659 909 HH22 ARG 111 HH22 ARG 111 13.612 -4.176 1.939 910 H ALA 112 H ALA 112 5.533 -0.558 -2.514 911 HA ALA 112 HA ALA 112 4.304 -2.293 -4.286 912 HB1 ALA 112 HB1 ALA 112 3.227 0.356 -3.328 913 HB2 ALA 112 HB2 ALA 112 3.157 -1.160 -2.432 914 HB3 ALA 112 HB3 ALA 112 2.280 -0.995 -3.952 915 H ARG 113 H ARG 113 5.436 1.001 -4.813 916 HA ARG 113 HA ARG 113 4.147 1.173 -7.411 917 HB2 ARG 113 HB2 ARG 113 6.211 3.136 -6.528 918 HB3 ARG 113 HB3 ARG 113 4.734 3.401 -7.439 919 HG2 ARG 113 HG2 ARG 113 3.435 3.049 -5.372 920 HG3 ARG 113 HG3 ARG 113 4.956 2.906 -4.481 921 HD2 ARG 113 HD2 ARG 113 5.514 5.165 -5.630 922 HD3 ARG 113 HD3 ARG 113 3.765 5.282 -5.843 923 HE ARG 113 HE ARG 113 4.544 4.695 -3.134 924 HH11 ARG 113 HH11 ARG 113 4.075 7.269 -5.479 925 HH12 ARG 113 HH12 ARG 113 3.838 8.500 -4.284 926 HH21 ARG 113 HH21 ARG 113 4.217 6.346 -1.545 927 HH22 ARG 113 HH22 ARG 113 3.911 7.975 -2.056 928 H ILE 114 H ILE 114 7.250 0.445 -6.047 929 HA ILE 114 HA ILE 114 8.783 0.853 -8.410 930 HB ILE 114 HB ILE 114 9.402 -0.816 -5.969 931 HG12 ILE 114 HG12 ILE 114 10.334 1.947 -6.746 932 HG13 ILE 114 HG13 ILE 114 9.073 1.609 -5.565 933 HG21 ILE 114 HG21 ILE 114 11.740 -0.711 -6.716 934 HG22 ILE 114 HG22 ILE 114 11.227 0.095 -8.197 935 HG23 ILE 114 HG23 ILE 114 10.717 -1.565 -7.874 936 HD11 ILE 114 HD11 ILE 114 11.953 0.764 -5.356 937 HD12 ILE 114 HD12 ILE 114 10.691 0.423 -4.169 938 HD13 ILE 114 HD13 ILE 114 11.189 2.088 -4.480 939 H VAL 115 H VAL 115 7.414 -2.009 -6.813 940 HA VAL 115 HA VAL 115 8.452 -3.842 -8.693 941 HB VAL 115 HB VAL 115 6.997 -5.496 -7.739 942 HG11 VAL 115 HG11 VAL 115 7.957 -3.666 -5.558 943 HG12 VAL 115 HG12 VAL 115 8.973 -4.785 -6.463 944 HG13 VAL 115 HG13 VAL 115 7.680 -5.404 -5.433 945 HG21 VAL 115 HG21 VAL 115 5.608 -3.280 -6.240 946 HG22 VAL 115 HG22 VAL 115 5.276 -5.007 -6.103 947 HG23 VAL 115 HG23 VAL 115 4.931 -4.160 -7.612 948 H ASP 116 H ASP 116 5.414 -2.063 -8.489 949 HA ASP 116 HA ASP 116 4.047 -3.222 -10.611 950 HB2 ASP 116 HB2 ASP 116 2.927 -1.643 -9.242 951 HB3 ASP 116 HB3 ASP 116 4.107 -0.385 -9.589 952 H LYS 117 H LYS 117 6.451 -0.610 -10.637 953 HA LYS 117 HA LYS 117 6.326 -0.321 -13.461 954 HB2 LYS 117 HB2 LYS 117 7.885 0.880 -11.267 955 HB3 LYS 117 HB3 LYS 117 8.662 0.868 -12.852 956 HG2 LYS 117 HG2 LYS 117 5.907 1.942 -12.301 957 HG3 LYS 117 HG3 LYS 117 7.371 2.924 -12.393 958 HD2 LYS 117 HD2 LYS 117 7.708 2.246 -14.699 959 HD3 LYS 117 HD3 LYS 117 6.300 1.186 -14.622 960 HE2 LYS 117 HE2 LYS 117 4.872 3.138 -14.213 961 HE3 LYS 117 HE3 LYS 117 6.285 4.184 -14.317 962 HZ1 LYS 117 HZ1 LYS 117 5.134 4.194 -16.398 963 HZ2 LYS 117 HZ2 LYS 117 5.161 2.508 -16.488 964 HZ3 LYS 117 HZ3 LYS 117 6.609 3.381 -16.607 965 H LEU 118 H LEU 118 8.406 -2.131 -11.268 966 HA LEU 118 HA LEU 118 10.409 -2.817 -13.124 967 HB2 LEU 118 HB2 LEU 118 9.946 -3.342 -10.467 968 HB3 LEU 118 HB3 LEU 118 9.736 -4.921 -11.212 969 HG LEU 118 HG LEU 118 11.994 -4.577 -12.296 970 HD11 LEU 118 HD11 LEU 118 13.500 -2.977 -11.248 971 HD12 LEU 118 HD12 LEU 118 12.177 -2.371 -10.252 972 HD13 LEU 118 HD13 LEU 118 12.133 -2.158 -12.003 973 HD21 LEU 118 HD21 LEU 118 11.688 -6.079 -10.441 974 HD22 LEU 118 HD22 LEU 118 11.807 -4.741 -9.296 975 HD23 LEU 118 HD23 LEU 118 13.211 -5.209 -10.260 976 H LEU 119 H LEU 119 7.426 -4.486 -12.193 977 HA LEU 119 HA LEU 119 7.801 -6.676 -13.985 978 HB2 LEU 119 HB2 LEU 119 5.491 -5.640 -12.382 979 HB3 LEU 119 HB3 LEU 119 5.249 -6.914 -13.561 980 HG LEU 119 HG LEU 119 7.003 -8.259 -12.358 981 HD11 LEU 119 HD11 LEU 119 7.435 -7.690 -9.999 982 HD12 LEU 119 HD12 LEU 119 6.654 -6.126 -10.254 983 HD13 LEU 119 HD13 LEU 119 8.140 -6.527 -11.122 984 HD21 LEU 119 HD21 LEU 119 5.490 -8.974 -10.587 985 HD22 LEU 119 HD22 LEU 119 4.638 -8.714 -12.107 986 HD23 LEU 119 HD23 LEU 119 4.527 -7.516 -10.818 987 H ALA 120 H ALA 120 6.723 -3.482 -14.340 988 HA ALA 120 HA ALA 120 5.093 -4.008 -16.660 989 HB1 ALA 120 HB1 ALA 120 4.639 -2.206 -14.997 990 HB2 ALA 120 HB2 ALA 120 4.657 -1.673 -16.681 991 HB3 ALA 120 HB3 ALA 120 6.042 -1.346 -15.637 992 H LEU 121 H LEU 121 8.293 -2.679 -15.940 993 HA LEU 121 HA LEU 121 9.164 -2.458 -18.637 994 HB2 LEU 121 HB2 LEU 121 10.539 -2.773 -15.990 995 HB3 LEU 121 HB3 LEU 121 11.458 -2.931 -17.470 996 HG LEU 121 HG LEU 121 10.903 -0.646 -18.093 997 HD11 LEU 121 HD11 LEU 121 9.413 -0.541 -15.481 998 HD12 LEU 121 HD12 LEU 121 8.704 -0.450 -17.094 999 HD13 LEU 121 HD13 LEU 121 9.760 0.840 -16.521 1000 HD21 LEU 121 HD21 LEU 121 12.895 -1.020 -16.798 1001 HD22 LEU 121 HD22 LEU 121 11.970 -0.973 -15.298 1002 HD23 LEU 121 HD23 LEU 121 12.141 0.489 -16.277 1003 H GLY 122 H GLY 122 8.641 -5.034 -16.448 1004 HA2 GLY 122 HA2 GLY 122 8.645 -7.302 -16.758 1005 HA3 GLY 122 HA3 GLY 122 9.130 -7.039 -18.432 1006 H LEU 123 H LEU 123 10.835 -5.780 -15.650 1007 HA LEU 123 HA LEU 123 13.286 -7.034 -16.457 1008 HB2 LEU 123 HB2 LEU 123 12.500 -5.428 -14.020 1009 HB3 LEU 123 HB3 LEU 123 14.132 -6.023 -14.301 1010 HG LEU 123 HG LEU 123 12.650 -4.101 -16.103 1011 HD11 LEU 123 HD11 LEU 123 14.247 -2.432 -15.285 1012 HD12 LEU 123 HD12 LEU 123 14.880 -3.612 -14.137 1013 HD13 LEU 123 HD13 LEU 123 13.215 -3.048 -13.994 1014 HD21 LEU 123 HD21 LEU 123 15.489 -5.114 -16.165 1015 HD22 LEU 123 HD22 LEU 123 14.856 -3.803 -17.162 1016 HD23 LEU 123 HD23 LEU 123 14.225 -5.438 -17.353 1017 H VAL 124 H VAL 124 10.691 -7.630 -14.348 1018 HA VAL 124 HA VAL 124 11.718 -10.305 -13.732 1019 HB VAL 124 HB VAL 124 10.816 -10.129 -11.425 1020 HG11 VAL 124 HG11 VAL 124 12.677 -8.860 -10.486 1021 HG12 VAL 124 HG12 VAL 124 12.983 -8.127 -12.059 1022 HG13 VAL 124 HG13 VAL 124 13.215 -9.860 -11.834 1023 HG21 VAL 124 HG21 VAL 124 9.257 -8.299 -11.808 1024 HG22 VAL 124 HG22 VAL 124 10.605 -7.191 -12.076 1025 HG23 VAL 124 HG23 VAL 124 10.360 -7.914 -10.488 1026 H ALA 125 H ALA 125 9.932 -11.760 -13.054 1027 HA ALA 125 HA ALA 125 7.415 -10.939 -14.325 1028 HB1 ALA 125 HB1 ALA 125 6.878 -13.317 -14.441 1029 HB2 ALA 125 HB2 ALA 125 8.378 -13.702 -13.590 1030 HB3 ALA 125 HB3 ALA 125 8.434 -12.980 -15.200 1031 H GLU 126 H GLU 126 8.841 -11.370 -11.320 1032 HA GLU 126 HA GLU 126 6.306 -11.026 -9.974 1033 HB2 GLU 126 HB2 GLU 126 6.632 -12.906 -8.455 1034 HB3 GLU 126 HB3 GLU 126 6.510 -13.467 -10.116 1035 HG2 GLU 126 HG2 GLU 126 8.970 -13.625 -10.206 1036 HG3 GLU 126 HG3 GLU 126 9.035 -13.162 -8.510 1037 H ARG 127 H ARG 127 6.773 -10.894 -7.507 1038 HA ARG 127 HA ARG 127 8.805 -8.868 -7.228 1039 HB2 ARG 127 HB2 ARG 127 6.712 -9.957 -5.352 1040 HB3 ARG 127 HB3 ARG 127 7.912 -8.784 -4.839 1041 HG2 ARG 127 HG2 ARG 127 5.938 -7.588 -5.363 1042 HG3 ARG 127 HG3 ARG 127 7.104 -7.271 -6.643 1043 HD2 ARG 127 HD2 ARG 127 4.900 -7.630 -7.584 1044 HD3 ARG 127 HD3 ARG 127 5.985 -8.936 -8.057 1045 HE ARG 127 HE ARG 127 4.445 -9.531 -5.704 1046 HH11 ARG 127 HH11 ARG 127 4.426 -9.570 -9.212 1047 HH12 ARG 127 HH12 ARG 127 3.231 -10.821 -9.322 1048 HH21 ARG 127 HH21 ARG 127 2.850 -11.167 -5.855 1049 HH22 ARG 127 HH22 ARG 127 2.322 -11.710 -7.417 1050 H ARG 128 H ARG 128 8.520 -12.203 -6.617 1051 HA ARG 128 HA ARG 128 10.125 -12.601 -4.397 1052 HB2 ARG 128 HB2 ARG 128 8.891 -14.421 -5.125 1053 HB3 ARG 128 HB3 ARG 128 9.419 -14.246 -6.788 1054 HG2 ARG 128 HG2 ARG 128 11.580 -15.153 -6.250 1055 HG3 ARG 128 HG3 ARG 128 11.168 -15.199 -4.531 1056 HD2 ARG 128 HD2 ARG 128 9.765 -16.729 -6.719 1057 HD3 ARG 128 HD3 ARG 128 10.944 -17.405 -5.596 1058 HE ARG 128 HE ARG 128 9.233 -16.588 -3.841 1059 HH11 ARG 128 HH11 ARG 128 8.418 -17.889 -6.992 1060 HH12 ARG 128 HH12 ARG 128 6.907 -18.547 -6.460 1061 HH21 ARG 128 HH21 ARG 128 7.236 -17.428 -3.156 1062 HH22 ARG 128 HH22 ARG 128 6.225 -18.277 -4.282 1063 H GLU 129 H GLU 129 11.123 -12.096 -7.750 1064 HA GLU 129 HA GLU 129 13.787 -13.035 -7.332 1065 HB2 GLU 129 HB2 GLU 129 12.578 -11.425 -9.572 1066 HB3 GLU 129 HB3 GLU 129 14.198 -12.104 -9.591 1067 HG2 GLU 129 HG2 GLU 129 11.652 -13.677 -9.327 1068 HG3 GLU 129 HG3 GLU 129 12.588 -13.482 -10.808 1069 H LEU 130 H LEU 130 12.261 -10.057 -6.678 1070 HA LEU 130 HA LEU 130 14.756 -8.554 -6.855 1071 HB2 LEU 130 HB2 LEU 130 12.911 -6.831 -5.760 1072 HB3 LEU 130 HB3 LEU 130 13.356 -6.931 -7.450 1073 HG LEU 130 HG LEU 130 11.097 -8.553 -6.301 1074 HD11 LEU 130 HD11 LEU 130 11.002 -5.796 -7.500 1075 HD12 LEU 130 HD12 LEU 130 10.599 -6.240 -5.840 1076 HD13 LEU 130 HD13 LEU 130 9.601 -6.815 -7.177 1077 HD21 LEU 130 HD21 LEU 130 10.339 -8.585 -8.625 1078 HD22 LEU 130 HD22 LEU 130 11.954 -9.274 -8.468 1079 HD23 LEU 130 HD23 LEU 130 11.752 -7.638 -9.100 1080 H TYR 131 H TYR 131 13.090 -10.399 -4.645 1081 HA TYR 131 HA TYR 131 14.702 -9.288 -2.433 1082 HB2 TYR 131 HB2 TYR 131 12.157 -10.897 -2.112 1083 HB3 TYR 131 HB3 TYR 131 13.038 -10.026 -0.863 1084 HD1 TYR 131 HD1 TYR 131 13.281 -7.384 -1.431 1085 HD2 TYR 131 HD2 TYR 131 10.210 -9.964 -2.843 1086 HE1 TYR 131 HE1 TYR 131 11.797 -5.444 -1.743 1087 HE2 TYR 131 HE2 TYR 131 8.727 -8.041 -3.168 1088 HH TYR 131 HH TYR 131 8.468 -5.753 -2.283 1089 H LYS 132 H LYS 132 15.935 -10.878 -4.115 1090 HA LYS 132 HA LYS 132 15.679 -13.640 -3.134 1091 HB2 LYS 132 HB2 LYS 132 14.781 -13.082 -5.482 1092 HB3 LYS 132 HB3 LYS 132 16.463 -12.882 -5.942 1093 HG2 LYS 132 HG2 LYS 132 15.917 -15.054 -6.580 1094 HG3 LYS 132 HG3 LYS 132 16.812 -15.246 -5.069 1095 HD2 LYS 132 HD2 LYS 132 14.807 -15.610 -3.838 1096 HD3 LYS 132 HD3 LYS 132 13.806 -15.128 -5.209 1097 HE2 LYS 132 HE2 LYS 132 15.560 -17.573 -5.028 1098 HE3 LYS 132 HE3 LYS 132 13.797 -17.539 -4.975 1099 HZ1 LYS 132 HZ1 LYS 132 14.343 -18.111 -7.160 1100 HZ2 LYS 132 HZ2 LYS 132 15.569 -16.957 -7.269 1101 HZ3 LYS 132 HZ3 LYS 132 13.950 -16.463 -7.259 1102 H LYS 133 H LYS 133 17.598 -14.781 -2.854 1103 HA LYS 133 HA LYS 133 20.061 -13.321 -2.773 1104 HB2 LYS 133 HB2 LYS 133 19.652 -16.318 -2.675 1105 HB3 LYS 133 HB3 LYS 133 21.098 -15.447 -2.183 1106 HG2 LYS 133 HG2 LYS 133 19.714 -14.301 -0.441 1107 HG3 LYS 133 HG3 LYS 133 18.397 -15.396 -0.861 1108 HD2 LYS 133 HD2 LYS 133 19.478 -16.350 1.016 1109 HD3 LYS 133 HD3 LYS 133 19.985 -17.302 -0.378 1110 HE2 LYS 133 HE2 LYS 133 22.093 -16.100 -0.466 1111 HE3 LYS 133 HE3 LYS 133 21.581 -15.060 0.862 1112 HZ1 LYS 133 HZ1 LYS 133 23.010 -16.742 1.719 1113 HZ2 LYS 133 HZ2 LYS 133 22.120 -17.974 0.983 1114 HZ3 LYS 133 HZ3 LYS 133 21.444 -17.091 2.254 1115 H ARG 134 H ARG 134 21.908 -13.698 -4.113 1116 HA ARG 134 HA ARG 134 21.158 -13.970 -6.867 1117 HB2 ARG 134 HB2 ARG 134 23.548 -13.066 -5.396 1118 HB3 ARG 134 HB3 ARG 134 23.851 -13.773 -6.975 1119 HG2 ARG 134 HG2 ARG 134 23.560 -11.262 -6.882 1120 HG3 ARG 134 HG3 ARG 134 22.598 -12.126 -8.079 1121 HD2 ARG 134 HD2 ARG 134 21.422 -11.604 -5.393 1122 HD3 ARG 134 HD3 ARG 134 21.534 -10.271 -6.542 1123 HE ARG 134 HE ARG 134 20.362 -12.606 -7.707 1124 HH11 ARG 134 HH11 ARG 134 19.685 -9.821 -5.699 1125 HH12 ARG 134 HH12 ARG 134 17.993 -9.809 -6.071 1126 HH21 ARG 134 HH21 ARG 134 18.145 -12.589 -8.214 1127 HH22 ARG 134 HH22 ARG 134 17.105 -11.382 -7.519 1128 H GLN 135 H GLN 135 20.469 -16.093 -6.940 1129 HA GLN 135 HA GLN 135 22.276 -18.276 -6.539 1130 HB2 GLN 135 HB2 GLN 135 20.539 -19.654 -7.527 1131 HB3 GLN 135 HB3 GLN 135 19.808 -18.531 -6.391 1132 HG2 GLN 135 HG2 GLN 135 19.162 -17.082 -8.266 1133 HG3 GLN 135 HG3 GLN 135 19.859 -18.249 -9.386 1134 HE21 GLN 135 HE21 GLN 135 17.159 -17.301 -9.271 1135 HE22 GLN 135 HE22 GLN 135 16.149 -18.684 -9.001 1136 H LYS 136 H LYS 136 23.556 -19.300 -8.011 1137 HA LYS 136 HA LYS 136 23.686 -18.092 -10.678 1138 HB2 LYS 136 HB2 LYS 136 25.650 -19.825 -9.173 1139 HB3 LYS 136 HB3 LYS 136 25.835 -19.433 -10.877 1140 HG2 LYS 136 HG2 LYS 136 27.182 -17.888 -9.765 1141 HG3 LYS 136 HG3 LYS 136 25.718 -16.993 -10.159 1142 HD2 LYS 136 HD2 LYS 136 24.896 -17.417 -7.865 1143 HD3 LYS 136 HD3 LYS 136 26.434 -18.197 -7.490 1144 HE2 LYS 136 HE2 LYS 136 26.044 -15.328 -8.337 1145 HE3 LYS 136 HE3 LYS 136 26.423 -15.891 -6.711 1146 HZ1 LYS 136 HZ1 LYS 136 28.399 -15.105 -7.816 1147 HZ2 LYS 136 HZ2 LYS 136 28.157 -16.172 -9.103 1148 HZ3 LYS 136 HZ3 LYS 136 28.519 -16.774 -7.567 1149 H LYS 137 H LYS 137 21.671 -19.117 -11.148 1150 HA LYS 137 HA LYS 137 21.981 -21.801 -12.204 1151 HB2 LYS 137 HB2 LYS 137 21.215 -22.045 -9.833 1152 HB3 LYS 137 HB3 LYS 137 19.791 -21.102 -10.232 1153 HG2 LYS 137 HG2 LYS 137 20.329 -23.522 -11.848 1154 HG3 LYS 137 HG3 LYS 137 19.789 -23.743 -10.186 1155 HD2 LYS 137 HD2 LYS 137 17.790 -22.494 -10.596 1156 HD3 LYS 137 HD3 LYS 137 18.359 -22.011 -12.196 1157 HE2 LYS 137 HE2 LYS 137 16.691 -23.816 -12.289 1158 HE3 LYS 137 HE3 LYS 137 18.245 -24.299 -12.964 1159 HZ1 LYS 137 HZ1 LYS 137 18.744 -25.451 -10.905 1160 HZ2 LYS 137 HZ2 LYS 137 17.295 -26.021 -11.565 1161 HZ3 LYS 137 HZ3 LYS 137 17.264 -24.969 -10.243 1162 H LEU 138 H LEU 138 20.538 -22.217 -13.919 1163 HA LEU 138 HA LEU 138 19.448 -19.903 -15.193 1164 HB2 LEU 138 HB2 LEU 138 20.401 -21.718 -16.506 1165 HB3 LEU 138 HB3 LEU 138 19.202 -22.832 -15.877 1166 HG LEU 138 HG LEU 138 17.429 -21.456 -16.987 1167 HD11 LEU 138 HD11 LEU 138 19.794 -20.086 -18.252 1168 HD12 LEU 138 HD12 LEU 138 18.631 -19.354 -17.147 1169 HD13 LEU 138 HD13 LEU 138 18.109 -19.895 -18.743 1170 HD21 LEU 138 HD21 LEU 138 17.876 -22.287 -19.236 1171 HD22 LEU 138 HD22 LEU 138 18.270 -23.498 -18.016 1172 HD23 LEU 138 HD23 LEU 138 19.558 -22.583 -18.797 1173 H ALA 139 H ALA 139 17.829 -19.051 -13.938 1174 HA ALA 139 HA ALA 139 15.384 -20.682 -13.767 1175 HB1 ALA 139 HB1 ALA 139 14.787 -19.511 -11.713 1176 HB2 ALA 139 HB2 ALA 139 16.294 -18.599 -11.782 1177 HB3 ALA 139 HB3 ALA 139 16.330 -20.345 -11.534 1178 H SER 140 H SER 140 13.512 -19.737 -14.444 1179 HA SER 140 HA SER 140 13.604 -16.878 -15.119 1180 HB2 SER 140 HB2 SER 140 12.250 -19.064 -16.725 1181 HB3 SER 140 HB3 SER 140 12.204 -17.340 -17.090 1182 HG SER 140 HG SER 140 14.744 -18.018 -16.808 1183 H SER 141 H SER 141 12.635 -16.420 -13.135 1184 HA SER 141 HA SER 141 10.137 -17.716 -12.435 1185 HB2 SER 141 HB2 SER 141 11.482 -15.440 -10.977 1186 HB3 SER 141 HB3 SER 141 10.376 -16.646 -10.322 1187 HG SER 141 HG SER 141 13.047 -16.735 -10.495 Start of MODEL 16 1 H1 ASP 1 HT1 ASP 1 -32.095 11.543 -10.007 2 H2 ASP 1 HT2 ASP 1 -32.907 10.106 -9.658 3 H3 ASP 1 HT3 ASP 1 -32.264 10.361 -11.201 4 HA ASP 1 HA ASP 1 -30.895 8.844 -9.909 5 HB2 ASP 1 HB2 ASP 1 -29.677 11.541 -10.524 6 HB3 ASP 1 HB3 ASP 1 -28.738 10.094 -10.171 7 HA PRO 2 HA PRO 2 -30.678 10.061 -5.570 8 HB2 PRO 2 HB2 PRO 2 -29.648 7.402 -5.066 9 HB3 PRO 2 HB3 PRO 2 -31.208 8.083 -4.602 10 HG2 PRO 2 HG2 PRO 2 -30.919 6.102 -6.456 11 HG3 PRO 2 HG3 PRO 2 -32.263 7.255 -6.450 12 HD2 PRO 2 HD2 PRO 2 -29.781 7.244 -8.125 13 HD3 PRO 2 HD3 PRO 2 -31.452 7.643 -8.580 14 H SER 3 H SER 3 -28.329 9.339 -7.793 15 HA SER 3 HA SER 3 -26.064 9.045 -6.073 16 HB2 SER 3 HB2 SER 3 -24.808 9.283 -8.269 17 HB3 SER 3 HB3 SER 3 -25.942 7.940 -8.159 18 HG SER 3 HG SER 3 -26.253 10.401 -9.527 19 H ARG 4 H ARG 4 -27.335 11.289 -5.273 20 HA ARG 4 HA ARG 4 -25.951 13.626 -6.312 21 HB2 ARG 4 HB2 ARG 4 -27.804 13.319 -3.931 22 HB3 ARG 4 HB3 ARG 4 -27.201 14.845 -4.561 23 HG2 ARG 4 HG2 ARG 4 -28.390 14.450 -6.660 24 HG3 ARG 4 HG3 ARG 4 -28.998 12.919 -6.027 25 HD2 ARG 4 HD2 ARG 4 -29.545 15.655 -4.876 26 HD3 ARG 4 HD3 ARG 4 -30.666 14.701 -5.840 27 HE ARG 4 HE ARG 4 -29.648 13.616 -3.308 28 HH11 ARG 4 HH11 ARG 4 -32.332 14.844 -5.202 29 HH12 ARG 4 HH12 ARG 4 -33.538 14.271 -4.095 30 HH21 ARG 4 HH21 ARG 4 -31.233 12.866 -1.850 31 HH22 ARG 4 HH22 ARG 4 -32.914 13.151 -2.183 32 H ARG 5 H ARG 5 -25.439 14.983 -3.883 33 HA ARG 5 HA ARG 5 -22.933 14.349 -3.114 34 HB2 ARG 5 HB2 ARG 5 -23.867 16.329 -2.227 35 HB3 ARG 5 HB3 ARG 5 -25.205 15.470 -1.485 36 HG2 ARG 5 HG2 ARG 5 -23.569 16.296 0.153 37 HG3 ARG 5 HG3 ARG 5 -23.742 14.543 0.192 38 HD2 ARG 5 HD2 ARG 5 -21.402 15.184 0.376 39 HD3 ARG 5 HD3 ARG 5 -21.695 14.309 -1.124 40 HE ARG 5 HE ARG 5 -21.921 16.898 -1.874 41 HH11 ARG 5 HH11 ARG 5 -19.469 15.134 -0.107 42 HH12 ARG 5 HH12 ARG 5 -18.164 16.122 -0.677 43 HH21 ARG 5 HH21 ARG 5 -20.205 18.196 -2.634 44 HH22 ARG 5 HH22 ARG 5 -18.578 17.847 -2.139 45 H ALA 6 H ALA 6 -22.097 12.485 -2.600 46 HA ALA 6 HA ALA 6 -23.419 10.228 -1.715 47 HB1 ALA 6 HB1 ALA 6 -21.214 10.174 -2.753 48 HB2 ALA 6 HB2 ALA 6 -21.213 9.317 -1.210 49 HB3 ALA 6 HB3 ALA 6 -20.514 10.933 -1.322 50 HA PRO 7 HA PRO 7 -24.481 11.292 2.472 51 HB2 PRO 7 HB2 PRO 7 -24.536 8.338 2.736 52 HB3 PRO 7 HB3 PRO 7 -25.781 9.527 3.139 53 HG2 PRO 7 HG2 PRO 7 -25.971 7.968 0.966 54 HG3 PRO 7 HG3 PRO 7 -26.565 9.636 0.973 55 HD2 PRO 7 HD2 PRO 7 -24.132 8.493 -0.290 56 HD3 PRO 7 HD3 PRO 7 -25.139 9.862 -0.802 57 H THR 8 H THR 8 -22.941 11.881 3.868 58 HA THR 8 HA THR 8 -20.479 10.597 4.260 59 HB THR 8 HB THR 8 -21.981 12.308 6.258 60 HG1 THR 8 HG1 THR 8 -21.771 13.612 4.523 61 HG21 THR 8 HG21 THR 8 -19.028 11.762 5.925 62 HG22 THR 8 HG22 THR 8 -20.058 11.109 7.198 63 HG23 THR 8 HG23 THR 8 -19.754 12.844 7.117 64 H TRP 9 H TRP 9 -20.141 8.649 5.074 65 HA TRP 9 HA TRP 9 -22.131 6.954 5.972 66 HB2 TRP 9 HB2 TRP 9 -19.174 6.743 6.563 67 HB3 TRP 9 HB3 TRP 9 -20.342 5.433 6.664 68 HD1 TRP 9 HD1 TRP 9 -18.742 7.744 4.022 69 HE1 TRP 9 HE1 TRP 9 -18.694 6.485 1.789 70 HE3 TRP 9 HE3 TRP 9 -21.269 3.518 5.402 71 HZ2 TRP 9 HZ2 TRP 9 -19.578 4.041 0.738 72 HZ3 TRP 9 HZ3 TRP 9 -21.622 1.762 3.718 73 HH2 TRP 9 HH2 TRP 9 -20.795 2.017 1.433 74 H SER 10 H SER 10 -23.187 6.783 7.790 75 HA SER 10 HA SER 10 -22.397 8.147 10.180 76 HB2 SER 10 HB2 SER 10 -24.371 6.854 11.149 77 HB3 SER 10 HB3 SER 10 -24.747 7.917 9.795 78 HG SER 10 HG SER 10 -24.640 6.059 8.428 79 HA PRO 11 HA PRO 11 -19.835 5.203 12.283 80 HB2 PRO 11 HB2 PRO 11 -21.931 5.056 14.403 81 HB3 PRO 11 HB3 PRO 11 -20.194 5.338 14.559 82 HG2 PRO 11 HG2 PRO 11 -21.910 7.349 14.793 83 HG3 PRO 11 HG3 PRO 11 -20.370 7.568 13.948 84 HD2 PRO 11 HD2 PRO 11 -23.118 7.297 12.834 85 HD3 PRO 11 HD3 PRO 11 -21.747 8.255 12.239 86 H GLU 12 H GLU 12 -23.287 4.427 12.507 87 HA GLU 12 HA GLU 12 -22.944 1.625 12.779 88 HB2 GLU 12 HB2 GLU 12 -24.963 2.919 13.457 89 HB3 GLU 12 HB3 GLU 12 -25.344 3.152 11.758 90 HG2 GLU 12 HG2 GLU 12 -25.489 0.686 11.516 91 HG3 GLU 12 HG3 GLU 12 -25.268 0.548 13.260 92 H GLU 13 H GLU 13 -23.033 3.778 10.081 93 HA GLU 13 HA GLU 13 -23.801 1.865 8.107 94 HB2 GLU 13 HB2 GLU 13 -23.809 4.548 8.203 95 HB3 GLU 13 HB3 GLU 13 -22.310 4.303 7.322 96 HG2 GLU 13 HG2 GLU 13 -23.374 3.387 5.500 97 HG3 GLU 13 HG3 GLU 13 -24.788 2.899 6.440 98 H GLU 14 H GLU 14 -20.706 3.348 9.078 99 HA GLU 14 HA GLU 14 -19.136 1.821 7.259 100 HB2 GLU 14 HB2 GLU 14 -18.367 3.180 9.850 101 HB3 GLU 14 HB3 GLU 14 -17.221 2.468 8.721 102 HG2 GLU 14 HG2 GLU 14 -18.132 4.027 6.977 103 HG3 GLU 14 HG3 GLU 14 -19.028 4.822 8.270 104 H ALA 15 H ALA 15 -20.408 1.257 10.466 105 HA ALA 15 HA ALA 15 -18.955 -1.075 11.096 106 HB1 ALA 15 HB1 ALA 15 -20.774 -1.570 12.652 107 HB2 ALA 15 HB2 ALA 15 -21.770 -0.328 11.891 108 HB3 ALA 15 HB3 ALA 15 -20.299 0.126 12.750 109 H HIS 16 H HIS 16 -21.870 -0.516 9.241 110 HA HIS 16 HA HIS 16 -22.411 -3.251 8.681 111 HB2 HIS 16 HB2 HIS 16 -24.091 -1.324 8.652 112 HB3 HIS 16 HB3 HIS 16 -23.392 -0.867 7.103 113 HD1 HIS 16 HD1 HIS 16 -26.284 -1.529 7.009 114 HD2 HIS 16 HD2 HIS 16 -23.349 -4.441 6.640 115 HE1 HIS 16 HE1 HIS 16 -27.391 -3.473 5.863 116 HE2 HIS 16 HE2 HIS 16 -25.659 -5.300 5.864 117 H LEU 17 H LEU 17 -20.576 -0.674 7.212 118 HA LEU 17 HA LEU 17 -20.150 -1.827 4.679 119 HB2 LEU 17 HB2 LEU 17 -19.667 0.551 5.375 120 HB3 LEU 17 HB3 LEU 17 -18.244 -0.047 6.203 121 HG LEU 17 HG LEU 17 -17.320 -0.821 4.060 122 HD11 LEU 17 HD11 LEU 17 -19.330 -1.307 2.845 123 HD12 LEU 17 HD12 LEU 17 -18.417 -0.082 1.966 124 HD13 LEU 17 HD13 LEU 17 -19.828 0.382 2.914 125 HD21 LEU 17 HD21 LEU 17 -16.762 1.408 4.859 126 HD22 LEU 17 HD22 LEU 17 -18.182 2.066 4.046 127 HD23 LEU 17 HD23 LEU 17 -16.862 1.377 3.099 128 H ARG 18 H ARG 18 -18.212 -1.913 7.668 129 HA ARG 18 HA ARG 18 -16.400 -3.871 6.676 130 HB2 ARG 18 HB2 ARG 18 -15.599 -4.062 8.954 131 HB3 ARG 18 HB3 ARG 18 -15.841 -2.366 8.575 132 HG2 ARG 18 HG2 ARG 18 -18.067 -2.543 9.740 133 HG3 ARG 18 HG3 ARG 18 -17.551 -4.134 10.296 134 HD2 ARG 18 HD2 ARG 18 -16.109 -1.538 10.821 135 HD3 ARG 18 HD3 ARG 18 -17.152 -2.377 11.964 136 HE ARG 18 HE ARG 18 -14.930 -3.937 10.964 137 HH11 ARG 18 HH11 ARG 18 -16.135 -1.830 13.483 138 HH12 ARG 18 HH12 ARG 18 -14.902 -2.272 14.619 139 HH21 ARG 18 HH21 ARG 18 -13.306 -4.533 12.470 140 HH22 ARG 18 HH22 ARG 18 -13.301 -3.813 14.048 141 H GLU 19 H GLU 19 -19.451 -3.927 8.392 142 HA GLU 19 HA GLU 19 -19.604 -6.455 9.375 143 HB2 GLU 19 HB2 GLU 19 -21.340 -4.747 9.658 144 HB3 GLU 19 HB3 GLU 19 -21.796 -4.939 7.974 145 HG2 GLU 19 HG2 GLU 19 -23.368 -6.074 9.389 146 HG3 GLU 19 HG3 GLU 19 -22.468 -7.245 8.428 147 H LEU 20 H LEU 20 -20.617 -5.398 6.175 148 HA LEU 20 HA LEU 20 -21.239 -7.957 5.168 149 HB2 LEU 20 HB2 LEU 20 -21.174 -5.215 4.235 150 HB3 LEU 20 HB3 LEU 20 -20.640 -6.333 2.993 151 HG LEU 20 HG LEU 20 -23.189 -6.827 4.487 152 HD11 LEU 20 HD11 LEU 20 -23.250 -4.524 3.576 153 HD12 LEU 20 HD12 LEU 20 -24.410 -5.605 2.812 154 HD13 LEU 20 HD13 LEU 20 -22.915 -5.185 1.975 155 HD21 LEU 20 HD21 LEU 20 -22.282 -8.641 3.163 156 HD22 LEU 20 HD22 LEU 20 -22.147 -7.582 1.759 157 HD23 LEU 20 HD23 LEU 20 -23.739 -8.006 2.397 158 H TYR 21 H TYR 21 -18.277 -6.051 5.172 159 HA TYR 21 HA TYR 21 -17.026 -7.584 3.121 160 HB2 TYR 21 HB2 TYR 21 -16.275 -5.314 3.534 161 HB3 TYR 21 HB3 TYR 21 -15.820 -5.736 5.184 162 HD1 TYR 21 HD1 TYR 21 -15.149 -6.840 1.683 163 HD2 TYR 21 HD2 TYR 21 -13.605 -6.231 5.597 164 HE1 TYR 21 HE1 TYR 21 -12.915 -7.515 0.903 165 HE2 TYR 21 HE2 TYR 21 -11.370 -6.898 4.829 166 HH TYR 21 HH TYR 21 -10.607 -7.306 1.503 167 H LEU 22 H LEU 22 -17.016 -7.652 6.629 168 HA LEU 22 HA LEU 22 -15.014 -9.614 6.939 169 HB2 LEU 22 HB2 LEU 22 -17.377 -9.130 8.750 170 HB3 LEU 22 HB3 LEU 22 -15.842 -9.853 9.188 171 HG LEU 22 HG LEU 22 -16.228 -6.988 8.340 172 HD11 LEU 22 HD11 LEU 22 -17.216 -7.378 10.494 173 HD12 LEU 22 HD12 LEU 22 -15.720 -6.462 10.677 174 HD13 LEU 22 HD13 LEU 22 -15.752 -8.185 11.056 175 HD21 LEU 22 HD21 LEU 22 -13.928 -6.665 9.012 176 HD22 LEU 22 HD22 LEU 22 -14.031 -7.875 7.732 177 HD23 LEU 22 HD23 LEU 22 -13.778 -8.378 9.403 178 H ALA 23 H ALA 23 -18.359 -9.774 6.062 179 HA ALA 23 HA ALA 23 -18.574 -12.611 6.544 180 HB1 ALA 23 HB1 ALA 23 -20.525 -11.188 6.802 181 HB2 ALA 23 HB2 ALA 23 -20.793 -12.407 5.557 182 HB3 ALA 23 HB3 ALA 23 -20.440 -10.740 5.098 183 H ASN 24 H ASN 24 -18.557 -10.566 3.571 184 HA ASN 24 HA ASN 24 -18.673 -12.938 1.955 185 HB2 ASN 24 HB2 ASN 24 -18.579 -10.005 1.301 186 HB3 ASN 24 HB3 ASN 24 -18.478 -11.235 0.048 187 HD21 ASN 24 HD21 ASN 24 -20.415 -11.506 2.965 188 HD22 ASN 24 HD22 ASN 24 -21.949 -11.440 2.171 189 H LYS 25 H LYS 25 -16.093 -11.497 3.472 190 HA LYS 25 HA LYS 25 -14.141 -11.639 1.412 191 HB2 LYS 25 HB2 LYS 25 -12.476 -11.742 3.282 192 HB3 LYS 25 HB3 LYS 25 -13.572 -10.374 3.350 193 HG2 LYS 25 HG2 LYS 25 -14.776 -11.282 5.138 194 HG3 LYS 25 HG3 LYS 25 -14.090 -12.886 4.898 195 HD2 LYS 25 HD2 LYS 25 -13.222 -11.494 6.869 196 HD3 LYS 25 HD3 LYS 25 -12.030 -12.275 5.830 197 HE2 LYS 25 HE2 LYS 25 -12.850 -9.484 5.196 198 HE3 LYS 25 HE3 LYS 25 -11.804 -9.747 6.590 199 HZ1 LYS 25 HZ1 LYS 25 -10.450 -9.335 4.681 200 HZ2 LYS 25 HZ2 LYS 25 -11.241 -10.523 3.776 201 HZ3 LYS 25 HZ3 LYS 25 -10.277 -10.969 5.089 202 H ASP 26 H ASP 26 -15.732 -14.020 3.266 203 HA ASP 26 HA ASP 26 -13.704 -16.029 2.625 204 HB2 ASP 26 HB2 ASP 26 -16.009 -15.998 4.546 205 HB3 ASP 26 HB3 ASP 26 -15.272 -17.519 4.052 206 H VAL 27 H VAL 27 -16.212 -14.704 1.107 207 HA VAL 27 HA VAL 27 -17.199 -17.208 -0.043 208 HB VAL 27 HB VAL 27 -18.130 -14.378 -0.580 209 HG11 VAL 27 HG11 VAL 27 -20.076 -15.458 -1.621 210 HG12 VAL 27 HG12 VAL 27 -19.343 -17.037 -1.339 211 HG13 VAL 27 HG13 VAL 27 -18.574 -15.891 -2.437 212 HG21 VAL 27 HG21 VAL 27 -18.571 -15.044 1.730 213 HG22 VAL 27 HG22 VAL 27 -19.372 -16.508 1.160 214 HG23 VAL 27 HG23 VAL 27 -20.067 -14.926 0.804 215 H GLU 28 H GLU 28 -15.891 -17.981 -1.537 216 HA GLU 28 HA GLU 28 -14.533 -16.118 -3.337 217 HB2 GLU 28 HB2 GLU 28 -14.001 -19.025 -2.716 218 HB3 GLU 28 HB3 GLU 28 -13.132 -18.101 -3.934 219 HG2 GLU 28 HG2 GLU 28 -12.393 -16.534 -2.182 220 HG3 GLU 28 HG3 GLU 28 -13.207 -17.533 -0.980 221 H GLY 29 H GLY 29 -14.536 -16.487 -5.582 222 HA2 GLY 29 HA2 GLY 29 -15.551 -17.247 -7.574 223 HA3 GLY 29 HA3 GLY 29 -16.740 -18.120 -6.607 224 H GLN 30 H GLN 30 -16.392 -15.231 -5.197 225 HA GLN 30 HA GLN 30 -18.387 -13.864 -6.863 226 HB2 GLN 30 HB2 GLN 30 -19.555 -14.791 -4.928 227 HB3 GLN 30 HB3 GLN 30 -18.364 -14.088 -3.841 228 HG2 GLN 30 HG2 GLN 30 -19.069 -11.835 -4.735 229 HG3 GLN 30 HG3 GLN 30 -20.420 -12.661 -5.505 230 HE21 GLN 30 HE21 GLN 30 -19.001 -11.661 -2.490 231 HE22 GLN 30 HE22 GLN 30 -20.425 -11.870 -1.546 232 H ASP 31 H ASP 31 -18.196 -11.633 -6.931 233 HA ASP 31 HA ASP 31 -15.687 -10.446 -6.310 234 HB2 ASP 31 HB2 ASP 31 -17.419 -9.711 -8.086 235 HB3 ASP 31 HB3 ASP 31 -18.260 -8.949 -6.732 236 H VAL 32 H VAL 32 -15.049 -9.477 -4.400 237 HA VAL 32 HA VAL 32 -16.899 -9.669 -2.204 238 HB VAL 32 HB VAL 32 -14.348 -10.104 -2.082 239 HG11 VAL 32 HG11 VAL 32 -14.408 -7.113 -1.699 240 HG12 VAL 32 HG12 VAL 32 -13.551 -8.006 -2.961 241 HG13 VAL 32 HG13 VAL 32 -13.049 -8.163 -1.276 242 HG21 VAL 32 HG21 VAL 32 -15.864 -8.552 0.009 243 HG22 VAL 32 HG22 VAL 32 -14.347 -9.403 0.309 244 HG23 VAL 32 HG23 VAL 32 -15.783 -10.306 -0.175 245 H VAL 33 H VAL 33 -15.347 -7.004 -4.003 246 HA VAL 33 HA VAL 33 -16.324 -5.020 -2.213 247 HB VAL 33 HB VAL 33 -14.324 -4.612 -3.610 248 HG11 VAL 33 HG11 VAL 33 -16.284 -4.495 -5.882 249 HG12 VAL 33 HG12 VAL 33 -14.945 -5.624 -5.688 250 HG13 VAL 33 HG13 VAL 33 -14.625 -3.915 -5.956 251 HG21 VAL 33 HG21 VAL 33 -14.894 -2.298 -4.238 252 HG22 VAL 33 HG22 VAL 33 -15.485 -2.734 -2.634 253 HG23 VAL 33 HG23 VAL 33 -16.598 -2.679 -4.000 254 H GLU 34 H GLU 34 -17.375 -6.235 -5.368 255 HA GLU 34 HA GLU 34 -19.530 -4.451 -5.662 256 HB2 GLU 34 HB2 GLU 34 -18.448 -6.226 -7.319 257 HB3 GLU 34 HB3 GLU 34 -19.747 -7.239 -6.708 258 HG2 GLU 34 HG2 GLU 34 -20.268 -4.503 -7.818 259 HG3 GLU 34 HG3 GLU 34 -20.156 -5.922 -8.857 260 H ALA 35 H ALA 35 -19.197 -7.602 -4.125 261 HA ALA 35 HA ALA 35 -21.811 -8.069 -3.346 262 HB1 ALA 35 HB1 ALA 35 -19.327 -8.618 -1.732 263 HB2 ALA 35 HB2 ALA 35 -19.971 -9.655 -3.009 264 HB3 ALA 35 HB3 ALA 35 -20.899 -9.393 -1.532 265 H ILE 36 H ILE 36 -19.285 -6.275 -1.615 266 HA ILE 36 HA ILE 36 -20.782 -5.615 0.643 267 HB ILE 36 HB ILE 36 -18.705 -3.787 -0.560 268 HG12 ILE 36 HG12 ILE 36 -17.622 -5.896 -0.572 269 HG13 ILE 36 HG13 ILE 36 -17.069 -5.080 0.885 270 HG21 ILE 36 HG21 ILE 36 -19.850 -2.847 1.319 271 HG22 ILE 36 HG22 ILE 36 -18.220 -3.296 1.816 272 HG23 ILE 36 HG23 ILE 36 -19.592 -4.308 2.267 273 HD11 ILE 36 HD11 ILE 36 -17.560 -7.459 1.225 274 HD12 ILE 36 HD12 ILE 36 -19.243 -7.153 0.796 275 HD13 ILE 36 HD13 ILE 36 -18.550 -6.405 2.235 276 H LEU 37 H LEU 37 -20.045 -3.498 -2.129 277 HA LEU 37 HA LEU 37 -21.841 -1.489 -1.255 278 HB2 LEU 37 HB2 LEU 37 -21.525 -0.586 -3.620 279 HB3 LEU 37 HB3 LEU 37 -20.137 -0.684 -2.566 280 HG LEU 37 HG LEU 37 -19.639 -2.921 -3.771 281 HD11 LEU 37 HD11 LEU 37 -21.551 -1.599 -5.698 282 HD12 LEU 37 HD12 LEU 37 -21.685 -3.209 -4.989 283 HD13 LEU 37 HD13 LEU 37 -20.404 -2.859 -6.151 284 HD21 LEU 37 HD21 LEU 37 -18.377 -1.739 -5.453 285 HD22 LEU 37 HD22 LEU 37 -18.313 -0.875 -3.918 286 HD23 LEU 37 HD23 LEU 37 -19.362 -0.296 -5.212 287 H ALA 38 H ALA 38 -22.359 -4.330 -3.088 288 HA ALA 38 HA ALA 38 -24.776 -3.600 -4.380 289 HB1 ALA 38 HB1 ALA 38 -25.152 -6.002 -4.630 290 HB2 ALA 38 HB2 ALA 38 -23.853 -6.326 -3.481 291 HB3 ALA 38 HB3 ALA 38 -23.487 -5.573 -5.036 292 H HIS 39 H HIS 39 -24.096 -5.196 -1.286 293 HA HIS 39 HA HIS 39 -26.917 -5.468 -0.717 294 HB2 HIS 39 HB2 HIS 39 -24.467 -6.126 0.919 295 HB3 HIS 39 HB3 HIS 39 -26.111 -6.389 1.485 296 HD1 HIS 39 HD1 HIS 39 -27.118 -8.602 0.913 297 HD2 HIS 39 HD2 HIS 39 -23.829 -7.693 -1.454 298 HE1 HIS 39 HE1 HIS 39 -26.679 -10.667 -0.454 299 HE2 HIS 39 HE2 HIS 39 -24.828 -10.012 -2.031 300 H LEU 40 H LEU 40 -24.396 -3.182 -0.033 301 HA LEU 40 HA LEU 40 -25.872 -1.828 2.022 302 HB2 LEU 40 HB2 LEU 40 -23.444 -1.213 0.413 303 HB3 LEU 40 HB3 LEU 40 -24.295 0.122 1.149 304 HG LEU 40 HG LEU 40 -22.758 -0.268 2.756 305 HD11 LEU 40 HD11 LEU 40 -23.678 -1.437 4.621 306 HD12 LEU 40 HD12 LEU 40 -24.762 -2.348 3.574 307 HD13 LEU 40 HD13 LEU 40 -24.978 -0.607 3.767 308 HD21 LEU 40 HD21 LEU 40 -22.837 -3.168 2.017 309 HD22 LEU 40 HD22 LEU 40 -21.875 -2.508 3.340 310 HD23 LEU 40 HD23 LEU 40 -21.562 -2.001 1.679 311 H ASN 41 H ASN 41 -27.951 -1.758 0.959 312 HA ASN 41 HA ASN 41 -28.195 0.014 -1.335 313 HB2 ASN 41 HB2 ASN 41 -30.589 -0.524 -1.203 314 HB3 ASN 41 HB3 ASN 41 -29.627 -1.998 -1.151 315 HD21 ASN 41 HD21 ASN 41 -31.884 -0.018 0.491 316 HD22 ASN 41 HD22 ASN 41 -32.087 -1.022 1.882 317 H THR 42 H THR 42 -27.062 1.077 1.023 318 HA THR 42 HA THR 42 -29.125 2.930 1.971 319 HB THR 42 HB THR 42 -28.108 1.680 3.773 320 HG1 THR 42 HG1 THR 42 -26.756 4.036 4.253 321 HG21 THR 42 HG21 THR 42 -25.712 1.833 4.293 322 HG22 THR 42 HG22 THR 42 -25.452 2.751 2.809 323 HG23 THR 42 HG23 THR 42 -25.992 1.074 2.726 324 H VAL 43 H VAL 43 -26.301 2.668 0.060 325 HA VAL 43 HA VAL 43 -26.102 5.588 -0.101 326 HB VAL 43 HB VAL 43 -23.591 5.323 -0.323 327 HG11 VAL 43 HG11 VAL 43 -23.216 5.302 2.109 328 HG12 VAL 43 HG12 VAL 43 -24.873 4.740 2.341 329 HG13 VAL 43 HG13 VAL 43 -24.570 6.329 1.640 330 HG21 VAL 43 HG21 VAL 43 -24.176 2.655 0.957 331 HG22 VAL 43 HG22 VAL 43 -22.579 3.381 0.778 332 HG23 VAL 43 HG23 VAL 43 -23.501 2.918 -0.652 333 HA PRO 44 HA PRO 44 -25.915 4.530 -4.506 334 HB2 PRO 44 HB2 PRO 44 -26.343 7.375 -4.894 335 HB3 PRO 44 HB3 PRO 44 -27.392 6.032 -5.348 336 HG2 PRO 44 HG2 PRO 44 -28.025 7.809 -3.390 337 HG3 PRO 44 HG3 PRO 44 -28.580 6.126 -3.389 338 HD2 PRO 44 HD2 PRO 44 -26.325 7.377 -1.864 339 HD3 PRO 44 HD3 PRO 44 -27.526 6.182 -1.327 340 H ARG 45 H ARG 45 -23.666 4.129 -4.388 341 HA ARG 45 HA ARG 45 -21.978 6.460 -4.914 342 HB2 ARG 45 HB2 ARG 45 -21.441 4.401 -2.761 343 HB3 ARG 45 HB3 ARG 45 -20.259 5.580 -3.321 344 HG2 ARG 45 HG2 ARG 45 -21.674 7.396 -2.580 345 HG3 ARG 45 HG3 ARG 45 -22.920 6.253 -2.078 346 HD2 ARG 45 HD2 ARG 45 -21.812 6.809 -0.097 347 HD3 ARG 45 HD3 ARG 45 -21.127 5.253 -0.548 348 HE ARG 45 HE ARG 45 -19.213 6.555 -1.457 349 HH11 ARG 45 HH11 ARG 45 -21.270 7.956 1.014 350 HH12 ARG 45 HH12 ARG 45 -20.026 8.988 1.641 351 HH21 ARG 45 HH21 ARG 45 -17.566 7.928 -0.600 352 HH22 ARG 45 HH22 ARG 45 -17.944 8.982 0.727 353 H THR 46 H THR 46 -19.658 5.642 -5.420 354 HA THR 46 HA THR 46 -19.993 3.545 -7.425 355 HB THR 46 HB THR 46 -19.096 5.748 -8.140 356 HG1 THR 46 HG1 THR 46 -17.633 4.823 -9.497 357 HG21 THR 46 HG21 THR 46 -17.823 6.316 -6.135 358 HG22 THR 46 HG22 THR 46 -16.791 6.355 -7.565 359 HG23 THR 46 HG23 THR 46 -16.710 4.987 -6.456 360 H ARG 47 H ARG 47 -17.987 2.214 -7.828 361 HA ARG 47 HA ARG 47 -17.610 0.465 -5.692 362 HB2 ARG 47 HB2 ARG 47 -16.245 0.856 -8.332 363 HB3 ARG 47 HB3 ARG 47 -15.593 -0.299 -7.180 364 HG2 ARG 47 HG2 ARG 47 -17.058 -1.323 -8.874 365 HG3 ARG 47 HG3 ARG 47 -17.618 -1.584 -7.230 366 HD2 ARG 47 HD2 ARG 47 -19.468 -1.061 -8.734 367 HD3 ARG 47 HD3 ARG 47 -19.276 0.185 -7.501 368 HE ARG 47 HE ARG 47 -17.829 1.004 -9.738 369 HH11 ARG 47 HH11 ARG 47 -21.164 0.262 -8.977 370 HH12 ARG 47 HH12 ARG 47 -21.808 1.491 -10.015 371 HH21 ARG 47 HH21 ARG 47 -18.682 2.627 -11.118 372 HH22 ARG 47 HH22 ARG 47 -20.404 2.835 -11.225 373 H LYS 48 H LYS 48 -15.534 3.014 -6.928 374 HA LYS 48 HA LYS 48 -13.192 2.531 -5.548 375 HB2 LYS 48 HB2 LYS 48 -13.452 4.172 -7.345 376 HB3 LYS 48 HB3 LYS 48 -14.428 5.182 -6.292 377 HG2 LYS 48 HG2 LYS 48 -12.394 5.270 -4.764 378 HG3 LYS 48 HG3 LYS 48 -11.494 4.599 -6.126 379 HD2 LYS 48 HD2 LYS 48 -11.252 6.973 -6.215 380 HD3 LYS 48 HD3 LYS 48 -12.351 6.507 -7.513 381 HE2 LYS 48 HE2 LYS 48 -14.260 7.061 -5.992 382 HE3 LYS 48 HE3 LYS 48 -13.087 7.680 -4.834 383 HZ1 LYS 48 HZ1 LYS 48 -13.991 9.466 -6.138 384 HZ2 LYS 48 HZ2 LYS 48 -13.550 8.703 -7.578 385 HZ3 LYS 48 HZ3 LYS 48 -12.357 9.272 -6.525 386 H GLN 49 H GLN 49 -16.147 3.982 -4.389 387 HA GLN 49 HA GLN 49 -14.914 5.344 -2.199 388 HB2 GLN 49 HB2 GLN 49 -17.819 4.826 -2.840 389 HB3 GLN 49 HB3 GLN 49 -17.251 5.879 -1.549 390 HG2 GLN 49 HG2 GLN 49 -16.132 7.290 -3.151 391 HG3 GLN 49 HG3 GLN 49 -16.605 6.227 -4.469 392 HE21 GLN 49 HE21 GLN 49 -17.502 8.816 -2.429 393 HE22 GLN 49 HE22 GLN 49 -19.070 9.097 -3.102 394 H ILE 50 H ILE 50 -16.769 2.337 -2.525 395 HA ILE 50 HA ILE 50 -16.780 1.773 0.267 396 HB ILE 50 HB ILE 50 -17.272 0.060 -2.155 397 HG12 ILE 50 HG12 ILE 50 -19.481 -0.226 -0.778 398 HG13 ILE 50 HG13 ILE 50 -18.923 1.208 0.072 399 HG21 ILE 50 HG21 ILE 50 -17.137 -0.888 0.700 400 HG22 ILE 50 HG22 ILE 50 -16.131 -1.417 -0.646 401 HG23 ILE 50 HG23 ILE 50 -17.850 -1.805 -0.627 402 HD11 ILE 50 HD11 ILE 50 -19.382 1.021 -2.895 403 HD12 ILE 50 HD12 ILE 50 -18.920 2.466 -1.992 404 HD13 ILE 50 HD13 ILE 50 -20.498 1.723 -1.726 405 H ILE 51 H ILE 51 -14.729 0.759 -2.431 406 HA ILE 51 HA ILE 51 -13.002 -1.015 -1.247 407 HB ILE 51 HB ILE 51 -12.292 1.185 -3.193 408 HG12 ILE 51 HG12 ILE 51 -12.996 -1.707 -3.687 409 HG13 ILE 51 HG13 ILE 51 -14.061 -0.336 -3.975 410 HG21 ILE 51 HG21 ILE 51 -10.775 -1.354 -2.632 411 HG22 ILE 51 HG22 ILE 51 -10.332 0.241 -2.030 412 HG23 ILE 51 HG23 ILE 51 -10.318 -0.078 -3.765 413 HD11 ILE 51 HD11 ILE 51 -12.520 0.517 -5.656 414 HD12 ILE 51 HD12 ILE 51 -13.046 -1.123 -6.036 415 HD13 ILE 51 HD13 ILE 51 -11.441 -0.847 -5.359 416 H HIS 52 H HIS 52 -12.864 2.497 -1.199 417 HA HIS 52 HA HIS 52 -10.319 2.673 -0.020 418 HB2 HIS 52 HB2 HIS 52 -12.497 4.558 -0.681 419 HB3 HIS 52 HB3 HIS 52 -11.335 5.085 0.535 420 HD1 HIS 52 HD1 HIS 52 -9.890 6.685 -0.710 421 HD2 HIS 52 HD2 HIS 52 -10.496 3.145 -2.826 422 HE1 HIS 52 HE1 HIS 52 -8.326 6.784 -2.660 423 HE2 HIS 52 HE2 HIS 52 -8.537 4.548 -3.778 424 H HIS 53 H HIS 53 -13.560 3.108 1.469 425 HA HIS 53 HA HIS 53 -12.571 3.923 3.968 426 HB2 HIS 53 HB2 HIS 53 -15.162 2.506 3.349 427 HB3 HIS 53 HB3 HIS 53 -14.776 3.251 4.896 428 HD1 HIS 53 HD1 HIS 53 -13.770 5.929 4.251 429 HD2 HIS 53 HD2 HIS 53 -16.855 4.148 2.106 430 HE1 HIS 53 HE1 HIS 53 -14.911 7.812 3.046 431 HE2 HIS 53 HE2 HIS 53 -16.577 6.675 1.547 432 H LEU 54 H LEU 54 -13.124 0.719 2.697 433 HA LEU 54 HA LEU 54 -12.974 -0.627 5.182 434 HB2 LEU 54 HB2 LEU 54 -12.677 -1.563 2.337 435 HB3 LEU 54 HB3 LEU 54 -12.585 -2.655 3.706 436 HG LEU 54 HG LEU 54 -14.980 -0.903 3.155 437 HD11 LEU 54 HD11 LEU 54 -16.046 -2.975 2.313 438 HD12 LEU 54 HD12 LEU 54 -14.466 -3.761 2.360 439 HD13 LEU 54 HD13 LEU 54 -14.738 -2.389 1.287 440 HD21 LEU 54 HD21 LEU 54 -14.647 -1.723 5.479 441 HD22 LEU 54 HD22 LEU 54 -14.688 -3.374 4.861 442 HD23 LEU 54 HD23 LEU 54 -16.110 -2.342 4.715 443 H VAL 55 H VAL 55 -10.560 0.019 2.655 444 HA VAL 55 HA VAL 55 -8.488 -1.284 4.176 445 HB VAL 55 HB VAL 55 -6.947 -0.598 2.468 446 HG11 VAL 55 HG11 VAL 55 -8.065 -1.506 0.462 447 HG12 VAL 55 HG12 VAL 55 -9.608 -1.401 1.315 448 HG13 VAL 55 HG13 VAL 55 -8.339 -2.469 1.914 449 HG21 VAL 55 HG21 VAL 55 -7.664 1.710 2.139 450 HG22 VAL 55 HG22 VAL 55 -9.144 1.150 1.360 451 HG23 VAL 55 HG23 VAL 55 -7.581 0.852 0.600 452 H GLN 56 H GLN 56 -9.823 1.882 3.880 453 HA GLN 56 HA GLN 56 -7.746 3.326 5.166 454 HB2 GLN 56 HB2 GLN 56 -10.648 3.823 4.622 455 HB3 GLN 56 HB3 GLN 56 -9.767 4.907 5.675 456 HG2 GLN 56 HG2 GLN 56 -8.204 5.414 3.878 457 HG3 GLN 56 HG3 GLN 56 -9.033 4.272 2.823 458 HE21 GLN 56 HE21 GLN 56 -9.484 5.849 1.328 459 HE22 GLN 56 HE22 GLN 56 -10.696 7.059 1.584 460 H MET 57 H MET 57 -10.516 1.499 6.302 461 HA MET 57 HA MET 57 -10.112 2.298 9.041 462 HB2 MET 57 HB2 MET 57 -11.959 0.342 7.707 463 HB3 MET 57 HB3 MET 57 -11.819 0.417 9.458 464 HG2 MET 57 HG2 MET 57 -12.464 2.788 9.388 465 HG3 MET 57 HG3 MET 57 -12.650 2.672 7.641 466 HE1 MET 57 HE1 MET 57 -14.135 0.110 6.947 467 HE2 MET 57 HE2 MET 57 -14.685 1.704 6.431 468 HE3 MET 57 HE3 MET 57 -15.824 0.570 7.156 469 H GLY 58 H GLY 58 -8.354 0.433 7.095 470 HA2 GLY 58 HA2 GLY 58 -6.571 -0.934 7.546 471 HA3 GLY 58 HA3 GLY 58 -6.844 -0.609 9.249 472 H LEU 59 H LEU 59 -9.601 -1.809 7.777 473 HA LEU 59 HA LEU 59 -9.175 -4.386 9.054 474 HB2 LEU 59 HB2 LEU 59 -11.574 -4.738 8.698 475 HB3 LEU 59 HB3 LEU 59 -11.245 -3.260 9.577 476 HG LEU 59 HG LEU 59 -11.426 -2.182 7.174 477 HD11 LEU 59 HD11 LEU 59 -13.007 -3.280 5.757 478 HD12 LEU 59 HD12 LEU 59 -13.212 -4.590 6.919 479 HD13 LEU 59 HD13 LEU 59 -11.676 -4.391 6.074 480 HD21 LEU 59 HD21 LEU 59 -13.810 -1.799 7.612 481 HD22 LEU 59 HD22 LEU 59 -12.820 -1.606 9.058 482 HD23 LEU 59 HD23 LEU 59 -13.774 -3.071 8.830 483 H ALA 60 H ALA 60 -9.102 -2.933 6.005 484 HA ALA 60 HA ALA 60 -8.920 -5.592 4.733 485 HB1 ALA 60 HB1 ALA 60 -10.805 -4.340 3.850 486 HB2 ALA 60 HB2 ALA 60 -9.555 -4.524 2.619 487 HB3 ALA 60 HB3 ALA 60 -9.745 -2.986 3.460 488 H ASP 61 H ASP 61 -7.316 -5.830 3.088 489 HA ASP 61 HA ASP 61 -4.794 -4.869 3.891 490 HB2 ASP 61 HB2 ASP 61 -5.251 -7.035 2.704 491 HB3 ASP 61 HB3 ASP 61 -5.520 -6.108 1.230 492 H SER 62 H SER 62 -6.253 -4.452 0.682 493 HA SER 62 HA SER 62 -5.587 -1.649 0.553 494 HB2 SER 62 HB2 SER 62 -4.188 -3.597 -1.289 495 HB3 SER 62 HB3 SER 62 -4.050 -1.844 -1.339 496 HG SER 62 HG SER 62 -3.215 -3.544 0.794 497 H VAL 63 H VAL 63 -6.000 -0.903 -1.835 498 HA VAL 63 HA VAL 63 -8.638 -1.648 -2.488 499 HB VAL 63 HB VAL 63 -8.431 -0.121 -4.285 500 HG11 VAL 63 HG11 VAL 63 -7.879 1.893 -3.125 501 HG12 VAL 63 HG12 VAL 63 -6.833 1.008 -2.020 502 HG13 VAL 63 HG13 VAL 63 -8.574 0.767 -1.960 503 HG21 VAL 63 HG21 VAL 63 -5.495 -0.037 -3.803 504 HG22 VAL 63 HG22 VAL 63 -6.394 0.920 -4.981 505 HG23 VAL 63 HG23 VAL 63 -6.298 -0.830 -5.155 506 H LYS 64 H LYS 64 -5.556 -2.643 -3.561 507 HA LYS 64 HA LYS 64 -5.783 -3.886 -5.961 508 HB2 LYS 64 HB2 LYS 64 -4.677 -5.404 -3.632 509 HB3 LYS 64 HB3 LYS 64 -4.088 -5.367 -5.280 510 HG2 LYS 64 HG2 LYS 64 -3.326 -3.050 -4.903 511 HG3 LYS 64 HG3 LYS 64 -3.848 -3.189 -3.223 512 HD2 LYS 64 HD2 LYS 64 -1.618 -4.628 -4.628 513 HD3 LYS 64 HD3 LYS 64 -1.554 -3.670 -3.154 514 HE2 LYS 64 HE2 LYS 64 -2.872 -6.374 -3.452 515 HE3 LYS 64 HE3 LYS 64 -1.314 -6.068 -2.699 516 HZ1 LYS 64 HZ1 LYS 64 -2.824 -6.258 -0.950 517 HZ2 LYS 64 HZ2 LYS 64 -4.004 -5.322 -1.708 518 HZ3 LYS 64 HZ3 LYS 64 -2.596 -4.592 -1.104 519 H ASP 65 H ASP 65 -6.751 -5.137 -2.863 520 HA ASP 65 HA ASP 65 -7.504 -7.700 -3.787 521 HB2 ASP 65 HB2 ASP 65 -8.215 -6.363 -1.170 522 HB3 ASP 65 HB3 ASP 65 -8.063 -8.092 -1.485 523 H PHE 66 H PHE 66 -9.028 -4.746 -4.031 524 HA PHE 66 HA PHE 66 -11.705 -5.960 -4.053 525 HB2 PHE 66 HB2 PHE 66 -10.874 -3.052 -4.001 526 HB3 PHE 66 HB3 PHE 66 -12.535 -3.619 -4.091 527 HD1 PHE 66 HD1 PHE 66 -9.500 -4.014 -1.979 528 HD2 PHE 66 HD2 PHE 66 -13.744 -3.738 -2.140 529 HE1 PHE 66 HE1 PHE 66 -9.593 -4.050 0.470 530 HE2 PHE 66 HE2 PHE 66 -13.840 -3.787 0.305 531 HZ PHE 66 HZ PHE 66 -11.759 -3.933 1.619 532 H GLN 67 H GLN 67 -9.590 -3.768 -5.944 533 HA GLN 67 HA GLN 67 -10.866 -4.624 -8.394 534 HB2 GLN 67 HB2 GLN 67 -11.299 -1.884 -7.268 535 HB3 GLN 67 HB3 GLN 67 -11.375 -2.180 -9.008 536 HG2 GLN 67 HG2 GLN 67 -13.010 -4.091 -8.284 537 HG3 GLN 67 HG3 GLN 67 -13.167 -3.098 -6.840 538 HE21 GLN 67 HE21 GLN 67 -15.105 -3.756 -8.939 539 HE22 GLN 67 HE22 GLN 67 -15.659 -2.235 -9.549 540 H ARG 68 H ARG 68 -8.220 -3.029 -6.878 541 HA ARG 68 HA ARG 68 -7.297 -1.773 -9.279 542 HB2 ARG 68 HB2 ARG 68 -6.725 -0.874 -7.055 543 HB3 ARG 68 HB3 ARG 68 -5.751 -2.296 -6.738 544 HG2 ARG 68 HG2 ARG 68 -4.007 -1.323 -7.688 545 HG3 ARG 68 HG3 ARG 68 -4.896 -1.198 -9.208 546 HD2 ARG 68 HD2 ARG 68 -4.947 0.789 -6.937 547 HD3 ARG 68 HD3 ARG 68 -4.118 0.992 -8.480 548 HE ARG 68 HE ARG 68 -6.622 0.599 -9.298 549 HH11 ARG 68 HH11 ARG 68 -5.356 2.688 -6.790 550 HH12 ARG 68 HH12 ARG 68 -6.640 3.844 -6.935 551 HH21 ARG 68 HH21 ARG 68 -8.316 2.096 -9.480 552 HH22 ARG 68 HH22 ARG 68 -8.333 3.502 -8.462 553 H LYS 69 H LYS 69 -7.152 -3.264 -10.837 554 HA LYS 69 HA LYS 69 -5.779 -5.746 -10.590 555 HB2 LYS 69 HB2 LYS 69 -7.618 -5.016 -12.258 556 HB3 LYS 69 HB3 LYS 69 -6.306 -4.296 -13.176 557 HG2 LYS 69 HG2 LYS 69 -6.103 -7.160 -12.381 558 HG3 LYS 69 HG3 LYS 69 -7.175 -6.710 -13.706 559 HD2 LYS 69 HD2 LYS 69 -5.292 -5.628 -14.846 560 HD3 LYS 69 HD3 LYS 69 -4.226 -6.107 -13.523 561 HE2 LYS 69 HE2 LYS 69 -4.603 -8.441 -14.008 562 HE3 LYS 69 HE3 LYS 69 -5.794 -8.029 -15.241 563 HZ1 LYS 69 HZ1 LYS 69 -4.042 -6.953 -16.514 564 HZ2 LYS 69 HZ2 LYS 69 -3.669 -8.576 -16.232 565 HZ3 LYS 69 HZ3 LYS 69 -2.901 -7.369 -15.336 566 H GLY 70 H GLY 70 -4.804 -2.519 -10.995 567 HA2 GLY 70 HA2 GLY 70 -2.187 -2.981 -12.034 568 HA3 GLY 70 HA3 GLY 70 -2.706 -1.583 -11.092 569 H THR 71 H THR 71 -2.451 -5.063 -10.454 570 HA THR 71 HA THR 71 -1.607 -4.493 -7.753 571 HB THR 71 HB THR 71 -1.717 -7.262 -8.777 572 HG1 THR 71 HG1 THR 71 -3.936 -5.490 -8.591 573 HG21 THR 71 HG21 THR 71 -2.656 -5.874 -6.280 574 HG22 THR 71 HG22 THR 71 -1.211 -6.865 -6.454 575 HG23 THR 71 HG23 THR 71 -2.810 -7.604 -6.580 576 H HIS 72 H HIS 72 0.427 -4.403 -7.158 577 HA HIS 72 HA HIS 72 2.529 -5.427 -8.852 578 HB2 HIS 72 HB2 HIS 72 4.051 -4.405 -7.307 579 HB3 HIS 72 HB3 HIS 72 2.715 -3.287 -7.526 580 HD1 HIS 72 HD1 HIS 72 4.557 -3.180 -5.044 581 HD2 HIS 72 HD2 HIS 72 0.927 -5.181 -5.182 582 HE1 HIS 72 HE1 HIS 72 3.823 -3.431 -2.663 583 HE2 HIS 72 HE2 HIS 72 1.456 -4.255 -2.819 584 H ILE 73 H ILE 73 0.438 -7.098 -7.253 585 HA ILE 73 HA ILE 73 1.942 -8.553 -5.342 586 HB ILE 73 HB ILE 73 -0.722 -9.019 -6.591 587 HG12 ILE 73 HG12 ILE 73 -0.136 -7.650 -4.437 588 HG13 ILE 73 HG13 ILE 73 -1.545 -8.710 -4.440 589 HG21 ILE 73 HG21 ILE 73 0.856 -11.081 -5.081 590 HG22 ILE 73 HG22 ILE 73 0.193 -11.219 -6.710 591 HG23 ILE 73 HG23 ILE 73 -0.890 -11.161 -5.320 592 HD11 ILE 73 HD11 ILE 73 1.170 -9.390 -3.323 593 HD12 ILE 73 HD12 ILE 73 -0.250 -10.437 -3.306 594 HD13 ILE 73 HD13 ILE 73 -0.254 -8.931 -2.386 595 H VAL 74 H VAL 74 3.532 -9.729 -5.746 596 HA VAL 74 HA VAL 74 3.943 -11.222 -8.157 597 HB VAL 74 HB VAL 74 5.996 -11.865 -7.156 598 HG11 VAL 74 HG11 VAL 74 6.904 -9.751 -6.223 599 HG12 VAL 74 HG12 VAL 74 5.253 -9.126 -6.100 600 HG13 VAL 74 HG13 VAL 74 5.942 -9.504 -7.682 601 HG21 VAL 74 HG21 VAL 74 4.879 -11.074 -4.463 602 HG22 VAL 74 HG22 VAL 74 6.488 -11.723 -4.776 603 HG23 VAL 74 HG23 VAL 74 5.065 -12.729 -5.042 604 H LEU 75 H LEU 75 3.625 -13.470 -8.343 605 HA LEU 75 HA LEU 75 1.233 -14.406 -7.397 606 HB2 LEU 75 HB2 LEU 75 2.178 -16.693 -8.079 607 HB3 LEU 75 HB3 LEU 75 2.078 -15.434 -9.298 608 HG LEU 75 HG LEU 75 4.616 -15.197 -8.067 609 HD11 LEU 75 HD11 LEU 75 4.006 -18.011 -8.936 610 HD12 LEU 75 HD12 LEU 75 4.341 -17.478 -7.288 611 HD13 LEU 75 HD13 LEU 75 5.594 -17.367 -8.522 612 HD21 LEU 75 HD21 LEU 75 4.068 -14.558 -10.353 613 HD22 LEU 75 HD22 LEU 75 3.812 -16.253 -10.776 614 HD23 LEU 75 HD23 LEU 75 5.420 -15.692 -10.319 615 H TRP 76 H TRP 76 0.893 -14.327 -5.187 616 HA TRP 76 HA TRP 76 2.849 -15.595 -3.438 617 HB2 TRP 76 HB2 TRP 76 0.540 -13.732 -2.976 618 HB3 TRP 76 HB3 TRP 76 1.211 -14.661 -1.636 619 HD1 TRP 76 HD1 TRP 76 1.558 -11.425 -3.245 620 HE1 TRP 76 HE1 TRP 76 3.773 -10.273 -2.617 621 HE3 TRP 76 HE3 TRP 76 3.999 -15.428 -1.242 622 HZ2 TRP 76 HZ2 TRP 76 6.229 -10.978 -1.429 623 HZ3 TRP 76 HZ3 TRP 76 6.278 -15.106 -0.382 624 HH2 TRP 76 HH2 TRP 76 7.371 -12.932 -0.481 625 H THR 77 H THR 77 2.643 -17.689 -3.253 626 HA THR 77 HA THR 77 -0.026 -18.855 -2.886 627 HB THR 77 HB THR 77 1.110 -21.032 -3.312 628 HG1 THR 77 HG1 THR 77 3.330 -20.342 -4.471 629 HG21 THR 77 HG21 THR 77 1.585 -18.985 -5.486 630 HG22 THR 77 HG22 THR 77 0.048 -19.789 -5.165 631 HG23 THR 77 HG23 THR 77 1.438 -20.728 -5.708 632 H GLY 78 H GLY 78 -0.075 -20.680 -1.246 633 HA2 GLY 78 HA2 GLY 78 0.668 -19.815 1.290 634 HA3 GLY 78 HA3 GLY 78 0.257 -21.475 0.885 635 H ASP 79 H ASP 79 2.454 -21.739 -1.019 636 HA ASP 79 HA ASP 79 4.522 -22.451 0.835 637 HB2 ASP 79 HB2 ASP 79 4.269 -22.667 -2.154 638 HB3 ASP 79 HB3 ASP 79 5.783 -23.036 -1.332 639 H GLN 80 H GLN 80 4.211 -20.030 -1.776 640 HA GLN 80 HA GLN 80 6.867 -19.085 -1.448 641 HB2 GLN 80 HB2 GLN 80 5.626 -18.687 -3.535 642 HB3 GLN 80 HB3 GLN 80 4.510 -17.630 -2.670 643 HG2 GLN 80 HG2 GLN 80 6.303 -16.093 -2.160 644 HG3 GLN 80 HG3 GLN 80 7.475 -17.168 -2.915 645 HE21 GLN 80 HE21 GLN 80 4.949 -14.864 -3.426 646 HE22 GLN 80 HE22 GLN 80 5.197 -14.652 -5.121 647 H GLU 81 H GLU 81 3.772 -18.120 -0.028 648 HA GLU 81 HA GLU 81 4.745 -15.782 1.241 649 HB2 GLU 81 HB2 GLU 81 2.415 -17.571 1.975 650 HB3 GLU 81 HB3 GLU 81 2.725 -15.990 2.686 651 HG2 GLU 81 HG2 GLU 81 2.520 -14.968 0.463 652 HG3 GLU 81 HG3 GLU 81 2.165 -16.553 -0.218 653 H LEU 82 H LEU 82 4.589 -19.164 2.227 654 HA LEU 82 HA LEU 82 5.696 -18.767 4.817 655 HB2 LEU 82 HB2 LEU 82 4.488 -20.814 4.201 656 HB3 LEU 82 HB3 LEU 82 5.744 -21.208 3.042 657 HG LEU 82 HG LEU 82 7.345 -21.186 5.057 658 HD11 LEU 82 HD11 LEU 82 6.295 -21.744 7.198 659 HD12 LEU 82 HD12 LEU 82 4.707 -21.456 6.489 660 HD13 LEU 82 HD13 LEU 82 5.856 -20.128 6.649 661 HD21 LEU 82 HD21 LEU 82 6.732 -23.187 3.839 662 HD22 LEU 82 HD22 LEU 82 5.246 -23.328 4.781 663 HD23 LEU 82 HD23 LEU 82 6.813 -23.515 5.570 664 H GLU 83 H GLU 83 7.021 -19.336 1.618 665 HA GLU 83 HA GLU 83 9.682 -19.840 2.343 666 HB2 GLU 83 HB2 GLU 83 8.519 -20.073 0.042 667 HB3 GLU 83 HB3 GLU 83 8.938 -18.378 -0.179 668 HG2 GLU 83 HG2 GLU 83 10.605 -19.803 -1.196 669 HG3 GLU 83 HG3 GLU 83 11.298 -18.918 0.164 670 H LEU 84 H LEU 84 7.937 -16.828 1.720 671 HA LEU 84 HA LEU 84 10.154 -15.099 1.946 672 HB2 LEU 84 HB2 LEU 84 8.001 -14.354 1.028 673 HB3 LEU 84 HB3 LEU 84 7.260 -14.535 2.608 674 HG LEU 84 HG LEU 84 8.841 -12.792 3.478 675 HD11 LEU 84 HD11 LEU 84 10.002 -11.365 1.889 676 HD12 LEU 84 HD12 LEU 84 9.463 -12.388 0.557 677 HD13 LEU 84 HD13 LEU 84 10.571 -13.030 1.768 678 HD21 LEU 84 HD21 LEU 84 7.047 -11.938 1.211 679 HD22 LEU 84 HD22 LEU 84 7.638 -10.909 2.512 680 HD23 LEU 84 HD23 LEU 84 6.542 -12.243 2.872 681 H GLN 85 H GLN 85 7.987 -16.523 4.325 682 HA GLN 85 HA GLN 85 8.807 -15.032 6.560 683 HB2 GLN 85 HB2 GLN 85 6.797 -16.435 6.534 684 HB3 GLN 85 HB3 GLN 85 7.793 -17.875 6.382 685 HG2 GLN 85 HG2 GLN 85 8.839 -17.192 8.597 686 HG3 GLN 85 HG3 GLN 85 7.498 -16.059 8.740 687 HE21 GLN 85 HE21 GLN 85 8.436 -19.370 8.676 688 HE22 GLN 85 HE22 GLN 85 6.947 -20.007 9.254 689 H ARG 86 H ARG 86 9.804 -18.286 5.485 690 HA ARG 86 HA ARG 86 11.835 -18.699 7.356 691 HB2 ARG 86 HB2 ARG 86 11.671 -19.709 4.504 692 HB3 ARG 86 HB3 ARG 86 12.739 -20.355 5.744 693 HG2 ARG 86 HG2 ARG 86 10.679 -20.882 7.089 694 HG3 ARG 86 HG3 ARG 86 9.736 -20.456 5.661 695 HD2 ARG 86 HD2 ARG 86 11.901 -22.549 5.662 696 HD3 ARG 86 HD3 ARG 86 10.207 -22.911 5.971 697 HE ARG 86 HE ARG 86 11.045 -21.643 3.435 698 HH11 ARG 86 HH11 ARG 86 9.508 -24.281 5.181 699 HH12 ARG 86 HH12 ARG 86 8.893 -25.037 3.749 700 HH21 ARG 86 HH21 ARG 86 10.224 -22.654 1.542 701 HH22 ARG 86 HH22 ARG 86 9.260 -24.094 1.691 702 H LEU 87 H LEU 87 11.931 -17.172 4.199 703 HA LEU 87 HA LEU 87 14.709 -16.758 4.009 704 HB2 LEU 87 HB2 LEU 87 12.977 -16.657 2.193 705 HB3 LEU 87 HB3 LEU 87 12.473 -15.110 2.832 706 HG LEU 87 HG LEU 87 14.870 -14.334 2.375 707 HD11 LEU 87 HD11 LEU 87 14.812 -16.808 0.652 708 HD12 LEU 87 HD12 LEU 87 15.872 -16.538 2.038 709 HD13 LEU 87 HD13 LEU 87 16.031 -15.534 0.595 710 HD21 LEU 87 HD21 LEU 87 12.890 -13.663 1.108 711 HD22 LEU 87 HD22 LEU 87 13.072 -15.087 0.084 712 HD23 LEU 87 HD23 LEU 87 14.308 -13.830 0.073 713 H PHE 88 H PHE 88 12.084 -14.651 5.118 714 HA PHE 88 HA PHE 88 13.619 -12.356 5.607 715 HB2 PHE 88 HB2 PHE 88 11.405 -11.834 5.462 716 HB3 PHE 88 HB3 PHE 88 10.890 -13.316 6.246 717 HD1 PHE 88 HD1 PHE 88 12.307 -9.946 6.907 718 HD2 PHE 88 HD2 PHE 88 10.241 -13.327 8.467 719 HE1 PHE 88 HE1 PHE 88 11.780 -8.680 8.955 720 HE2 PHE 88 HE2 PHE 88 9.726 -12.073 10.514 721 HZ PHE 88 HZ PHE 88 10.501 -9.755 10.760 722 H GLU 89 H GLU 89 12.664 -14.988 7.786 723 HA GLU 89 HA GLU 89 13.607 -13.832 10.165 724 HB2 GLU 89 HB2 GLU 89 13.404 -16.739 9.382 725 HB3 GLU 89 HB3 GLU 89 13.622 -16.153 11.022 726 HG2 GLU 89 HG2 GLU 89 11.470 -14.996 10.888 727 HG3 GLU 89 HG3 GLU 89 11.277 -15.582 9.236 728 H GLU 90 H GLU 90 15.186 -15.702 7.688 729 HA GLU 90 HA GLU 90 17.554 -16.174 9.227 730 HB2 GLU 90 HB2 GLU 90 16.623 -16.773 6.460 731 HB3 GLU 90 HB3 GLU 90 18.322 -16.980 6.870 732 HG2 GLU 90 HG2 GLU 90 16.041 -18.259 8.340 733 HG3 GLU 90 HG3 GLU 90 16.970 -19.040 7.063 734 H PHE 91 H PHE 91 16.573 -13.847 6.771 735 HA PHE 91 HA PHE 91 19.312 -12.910 6.524 736 HB2 PHE 91 HB2 PHE 91 16.781 -12.322 5.043 737 HB3 PHE 91 HB3 PHE 91 18.140 -11.207 4.928 738 HD1 PHE 91 HD1 PHE 91 20.452 -12.378 4.450 739 HD2 PHE 91 HD2 PHE 91 16.648 -14.018 3.502 740 HE1 PHE 91 HE1 PHE 91 21.501 -13.793 2.737 741 HE2 PHE 91 HE2 PHE 91 17.691 -15.442 1.787 742 HZ PHE 91 HZ PHE 91 20.118 -15.328 1.403 743 H ARG 92 H ARG 92 16.718 -12.237 8.557 744 HA ARG 92 HA ARG 92 17.277 -9.440 8.879 745 HB2 ARG 92 HB2 ARG 92 15.726 -9.414 10.661 746 HB3 ARG 92 HB3 ARG 92 15.066 -10.502 9.455 747 HG2 ARG 92 HG2 ARG 92 15.688 -12.416 10.737 748 HG3 ARG 92 HG3 ARG 92 16.582 -11.417 11.885 749 HD2 ARG 92 HD2 ARG 92 13.610 -11.272 11.388 750 HD3 ARG 92 HD3 ARG 92 14.376 -12.091 12.749 751 HE ARG 92 HE ARG 92 15.205 -9.384 12.618 752 HH11 ARG 92 HH11 ARG 92 12.481 -11.383 13.528 753 HH12 ARG 92 HH12 ARG 92 11.876 -10.248 14.694 754 HH21 ARG 92 HH21 ARG 92 14.404 -7.875 14.142 755 HH22 ARG 92 HH22 ARG 92 12.978 -8.266 15.050 756 H ASP 93 H ASP 93 18.807 -12.261 9.811 757 HA ASP 93 HA ASP 93 20.182 -11.168 12.092 758 HB2 ASP 93 HB2 ASP 93 19.830 -13.610 11.789 759 HB3 ASP 93 HB3 ASP 93 20.891 -13.569 10.385 760 H SER 94 H SER 94 20.231 -10.427 8.916 761 HA SER 94 HA SER 94 23.098 -9.791 8.853 762 HB2 SER 94 HB2 SER 94 21.077 -9.756 6.595 763 HB3 SER 94 HB3 SER 94 22.817 -9.511 6.442 764 HG SER 94 HG SER 94 22.014 -11.839 7.721 765 H ASP 95 H ASP 95 22.935 -7.702 6.956 766 HA ASP 95 HA ASP 95 22.310 -5.565 8.791 767 HB2 ASP 95 HB2 ASP 95 23.469 -4.126 7.160 768 HB3 ASP 95 HB3 ASP 95 24.439 -5.521 7.613 769 H ASP 96 H ASP 96 21.387 -6.357 5.436 770 HA ASP 96 HA ASP 96 18.907 -4.827 5.900 771 HB2 ASP 96 HB2 ASP 96 20.466 -3.751 4.228 772 HB3 ASP 96 HB3 ASP 96 20.276 -5.182 3.222 773 H VAL 97 H VAL 97 17.539 -6.447 6.377 774 HA VAL 97 HA VAL 97 17.777 -9.076 5.513 775 HB VAL 97 HB VAL 97 16.460 -8.545 7.457 776 HG11 VAL 97 HG11 VAL 97 14.199 -7.558 7.246 777 HG12 VAL 97 HG12 VAL 97 14.590 -7.150 5.577 778 HG13 VAL 97 HG13 VAL 97 15.516 -6.438 6.898 779 HG21 VAL 97 HG21 VAL 97 15.935 -10.607 6.244 780 HG22 VAL 97 HG22 VAL 97 14.699 -9.743 5.331 781 HG23 VAL 97 HG23 VAL 97 14.523 -9.950 7.074 782 H LEU 98 H LEU 98 15.919 -6.410 4.066 783 HA LEU 98 HA LEU 98 14.537 -8.207 2.314 784 HB2 LEU 98 HB2 LEU 98 14.412 -5.341 2.906 785 HB3 LEU 98 HB3 LEU 98 14.047 -5.763 1.240 786 HG LEU 98 HG LEU 98 12.407 -7.447 2.153 787 HD11 LEU 98 HD11 LEU 98 11.526 -6.952 4.422 788 HD12 LEU 98 HD12 LEU 98 12.948 -5.944 4.696 789 HD13 LEU 98 HD13 LEU 98 13.133 -7.674 4.401 790 HD21 LEU 98 HD21 LEU 98 11.587 -5.445 1.168 791 HD22 LEU 98 HD22 LEU 98 11.972 -4.508 2.612 792 HD23 LEU 98 HD23 LEU 98 10.687 -5.717 2.658 793 H GLY 99 H GLY 99 17.169 -5.864 1.934 794 HA2 GLY 99 HA2 GLY 99 17.487 -6.059 -0.834 795 HA3 GLY 99 HA3 GLY 99 18.790 -5.744 0.311 796 H HIS 100 H HIS 100 18.610 -8.179 1.732 797 HA HIS 100 HA HIS 100 20.154 -9.818 -0.066 798 HB2 HIS 100 HB2 HIS 100 19.346 -10.174 2.827 799 HB3 HIS 100 HB3 HIS 100 20.288 -11.366 1.944 800 HD1 HIS 100 HD1 HIS 100 22.763 -11.056 1.992 801 HD2 HIS 100 HD2 HIS 100 20.735 -7.588 3.030 802 HE1 HIS 100 HE1 HIS 100 24.531 -9.453 2.773 803 HE2 HIS 100 HE2 HIS 100 23.243 -7.465 3.646 804 H ILE 101 H ILE 101 16.979 -9.860 1.416 805 HA ILE 101 HA ILE 101 16.021 -12.338 0.586 806 HB ILE 101 HB ILE 101 14.711 -9.674 1.014 807 HG12 ILE 101 HG12 ILE 101 14.393 -12.355 2.372 808 HG13 ILE 101 HG13 ILE 101 15.357 -11.009 2.967 809 HG21 ILE 101 HG21 ILE 101 12.494 -10.747 0.702 810 HG22 ILE 101 HG22 ILE 101 13.317 -12.129 -0.019 811 HG23 ILE 101 HG23 ILE 101 13.416 -10.547 -0.788 812 HD11 ILE 101 HD11 ILE 101 13.344 -9.663 3.205 813 HD12 ILE 101 HD12 ILE 101 13.217 -11.165 4.118 814 HD13 ILE 101 HD13 ILE 101 12.374 -10.997 2.581 815 H MET 102 H MET 102 15.792 -9.222 -1.115 816 HA MET 102 HA MET 102 14.318 -10.184 -3.292 817 HB2 MET 102 HB2 MET 102 16.161 -7.791 -3.308 818 HB3 MET 102 HB3 MET 102 14.760 -8.064 -4.340 819 HG2 MET 102 HG2 MET 102 13.258 -7.756 -2.559 820 HG3 MET 102 HG3 MET 102 14.539 -7.867 -1.356 821 HE1 MET 102 HE1 MET 102 14.228 -5.738 -4.736 822 HE2 MET 102 HE2 MET 102 13.584 -4.257 -4.020 823 HE3 MET 102 HE3 MET 102 12.668 -5.766 -3.912 824 H LYS 103 H LYS 103 17.752 -10.159 -2.709 825 HA LYS 103 HA LYS 103 18.319 -10.661 -5.525 826 HB2 LYS 103 HB2 LYS 103 20.241 -10.407 -3.208 827 HB3 LYS 103 HB3 LYS 103 20.661 -10.430 -4.913 828 HG2 LYS 103 HG2 LYS 103 19.048 -8.302 -3.519 829 HG3 LYS 103 HG3 LYS 103 20.734 -8.173 -4.016 830 HD2 LYS 103 HD2 LYS 103 20.093 -8.387 -6.345 831 HD3 LYS 103 HD3 LYS 103 18.407 -8.619 -5.883 832 HE2 LYS 103 HE2 LYS 103 18.346 -6.379 -4.924 833 HE3 LYS 103 HE3 LYS 103 20.041 -6.142 -5.344 834 HZ1 LYS 103 HZ1 LYS 103 18.530 -5.109 -6.946 835 HZ2 LYS 103 HZ2 LYS 103 17.853 -6.617 -7.293 836 HZ3 LYS 103 HZ3 LYS 103 19.472 -6.313 -7.671 837 H ASN 104 H ASN 104 18.061 -12.396 -2.528 838 HA ASN 104 HA ASN 104 19.603 -14.648 -3.573 839 HB2 ASN 104 HB2 ASN 104 19.999 -13.897 -1.249 840 HB3 ASN 104 HB3 ASN 104 18.336 -14.299 -0.849 841 HD21 ASN 104 HD21 ASN 104 17.778 -16.411 -0.504 842 HD22 ASN 104 HD22 ASN 104 18.916 -17.708 -0.474 843 H ILE 105 H ILE 105 16.299 -13.711 -3.185 844 HA ILE 105 HA ILE 105 15.437 -16.487 -3.092 845 HB ILE 105 HB ILE 105 14.289 -14.830 -1.671 846 HG12 ILE 105 HG12 ILE 105 11.966 -15.533 -2.215 847 HG13 ILE 105 HG13 ILE 105 12.563 -16.190 -3.735 848 HG21 ILE 105 HG21 ILE 105 14.320 -12.905 -3.144 849 HG22 ILE 105 HG22 ILE 105 12.665 -13.278 -2.659 850 HG23 ILE 105 HG23 ILE 105 13.236 -13.729 -4.265 851 HD11 ILE 105 HD11 ILE 105 13.393 -17.092 -0.985 852 HD12 ILE 105 HD12 ILE 105 13.956 -17.768 -2.513 853 HD13 ILE 105 HD13 ILE 105 12.261 -17.923 -2.049 854 H THR 106 H THR 106 13.927 -17.336 -4.516 855 HA THR 106 HA THR 106 14.675 -17.281 -7.153 856 HB THR 106 HB THR 106 13.561 -19.142 -6.032 857 HG1 THR 106 HG1 THR 106 13.461 -19.259 -8.247 858 HG21 THR 106 HG21 THR 106 11.084 -17.424 -6.192 859 HG22 THR 106 HG22 THR 106 11.887 -17.994 -4.728 860 HG23 THR 106 HG23 THR 106 11.086 -19.143 -5.799 861 H ALA 107 H ALA 107 12.291 -15.276 -5.554 862 HA ALA 107 HA ALA 107 11.419 -14.277 -8.191 863 HB1 ALA 107 HB1 ALA 107 9.944 -14.186 -5.564 864 HB2 ALA 107 HB2 ALA 107 9.601 -15.273 -6.912 865 HB3 ALA 107 HB3 ALA 107 9.363 -13.534 -7.096 866 H LYS 108 H LYS 108 11.971 -12.232 -8.707 867 HA LYS 108 HA LYS 108 13.209 -10.523 -6.760 868 HB2 LYS 108 HB2 LYS 108 12.643 -10.375 -9.666 869 HB3 LYS 108 HB3 LYS 108 12.717 -8.840 -8.821 870 HG2 LYS 108 HG2 LYS 108 14.866 -9.241 -9.705 871 HG3 LYS 108 HG3 LYS 108 14.974 -9.522 -7.970 872 HD2 LYS 108 HD2 LYS 108 14.477 -11.798 -9.853 873 HD3 LYS 108 HD3 LYS 108 16.109 -11.186 -9.603 874 HE2 LYS 108 HE2 LYS 108 15.892 -11.604 -7.199 875 HE3 LYS 108 HE3 LYS 108 14.258 -12.214 -7.454 876 HZ1 LYS 108 HZ1 LYS 108 15.210 -13.963 -8.863 877 HZ2 LYS 108 HZ2 LYS 108 15.790 -14.033 -7.273 878 HZ3 LYS 108 HZ3 LYS 108 16.766 -13.403 -8.505 879 H ARG 109 H ARG 109 11.938 -9.818 -5.187 880 HA ARG 109 HA ARG 109 9.271 -8.788 -5.891 881 HB2 ARG 109 HB2 ARG 109 10.191 -9.721 -3.170 882 HB3 ARG 109 HB3 ARG 109 8.544 -9.358 -3.675 883 HG2 ARG 109 HG2 ARG 109 8.573 -11.266 -5.190 884 HG3 ARG 109 HG3 ARG 109 10.235 -11.626 -4.713 885 HD2 ARG 109 HD2 ARG 109 9.405 -11.855 -2.359 886 HD3 ARG 109 HD3 ARG 109 7.763 -11.729 -2.993 887 HE ARG 109 HE ARG 109 8.323 -13.757 -4.338 888 HH11 ARG 109 HH11 ARG 109 10.014 -13.085 -1.343 889 HH12 ARG 109 HH12 ARG 109 10.425 -14.743 -1.055 890 HH21 ARG 109 HH21 ARG 109 8.883 -15.941 -3.974 891 HH22 ARG 109 HH22 ARG 109 9.784 -16.368 -2.557 892 H SER 110 H SER 110 8.712 -6.770 -5.246 893 HA SER 110 HA SER 110 10.899 -4.983 -4.769 894 HB2 SER 110 HB2 SER 110 7.944 -4.343 -4.833 895 HB3 SER 110 HB3 SER 110 9.281 -3.213 -5.049 896 HG SER 110 HG SER 110 9.760 -5.003 -6.821 897 H ARG 111 H ARG 111 10.886 -3.321 -3.091 898 HA ARG 111 HA ARG 111 10.910 -4.438 -0.532 899 HB2 ARG 111 HB2 ARG 111 10.875 -1.549 -1.411 900 HB3 ARG 111 HB3 ARG 111 11.151 -2.061 0.249 901 HG2 ARG 111 HG2 ARG 111 12.855 -3.084 -1.991 902 HG3 ARG 111 HG3 ARG 111 13.183 -1.529 -1.229 903 HD2 ARG 111 HD2 ARG 111 13.457 -2.583 0.915 904 HD3 ARG 111 HD3 ARG 111 12.943 -4.135 0.260 905 HE ARG 111 HE ARG 111 14.994 -4.053 -1.127 906 HH11 ARG 111 HH11 ARG 111 14.847 -2.195 1.851 907 HH12 ARG 111 HH12 ARG 111 16.562 -2.242 2.106 908 HH21 ARG 111 HH21 ARG 111 17.261 -4.012 -0.819 909 HH22 ARG 111 HH22 ARG 111 17.925 -3.243 0.586 910 H ALA 112 H ALA 112 8.599 -2.140 -1.955 911 HA ALA 112 HA ALA 112 6.902 -1.997 0.292 912 HB1 ALA 112 HB1 ALA 112 5.283 -0.977 -1.227 913 HB2 ALA 112 HB2 ALA 112 6.248 -1.491 -2.609 914 HB3 ALA 112 HB3 ALA 112 6.894 -0.310 -1.472 915 H ARG 113 H ARG 113 7.270 -4.380 -2.157 916 HA ARG 113 HA ARG 113 4.639 -5.525 -1.832 917 HB2 ARG 113 HB2 ARG 113 6.654 -5.707 -3.755 918 HB3 ARG 113 HB3 ARG 113 6.648 -7.286 -2.987 919 HG2 ARG 113 HG2 ARG 113 4.073 -6.092 -3.877 920 HG3 ARG 113 HG3 ARG 113 5.160 -6.804 -5.068 921 HD2 ARG 113 HD2 ARG 113 3.490 -8.400 -4.292 922 HD3 ARG 113 HD3 ARG 113 5.116 -8.914 -3.874 923 HE ARG 113 HE ARG 113 4.562 -8.757 -1.663 924 HH11 ARG 113 HH11 ARG 113 2.168 -6.975 -3.493 925 HH12 ARG 113 HH12 ARG 113 1.078 -6.833 -2.149 926 HH21 ARG 113 HH21 ARG 113 3.121 -8.553 0.079 927 HH22 ARG 113 HH22 ARG 113 1.622 -7.688 -0.124 928 H ILE 114 H ILE 114 7.954 -6.361 -0.935 929 HA ILE 114 HA ILE 114 7.373 -8.774 0.343 930 HB ILE 114 HB ILE 114 9.618 -6.810 0.714 931 HG12 ILE 114 HG12 ILE 114 9.520 -9.540 -0.583 932 HG13 ILE 114 HG13 ILE 114 9.339 -8.021 -1.455 933 HG21 ILE 114 HG21 ILE 114 9.277 -9.525 1.975 934 HG22 ILE 114 HG22 ILE 114 9.424 -7.971 2.806 935 HG23 ILE 114 HG23 ILE 114 10.798 -8.637 1.915 936 HD11 ILE 114 HD11 ILE 114 11.583 -7.354 -0.825 937 HD12 ILE 114 HD12 ILE 114 11.606 -8.926 -1.625 938 HD13 ILE 114 HD13 ILE 114 11.772 -8.827 0.127 939 H VAL 115 H VAL 115 7.704 -5.503 1.693 940 HA VAL 115 HA VAL 115 7.252 -6.313 4.354 941 HB VAL 115 HB VAL 115 7.053 -4.014 4.930 942 HG11 VAL 115 HG11 VAL 115 9.062 -3.070 3.926 943 HG12 VAL 115 HG12 VAL 115 9.001 -4.297 2.660 944 HG13 VAL 115 HG13 VAL 115 9.280 -4.772 4.335 945 HG21 VAL 115 HG21 VAL 115 6.818 -2.205 3.334 946 HG22 VAL 115 HG22 VAL 115 5.454 -3.317 3.191 947 HG23 VAL 115 HG23 VAL 115 6.757 -3.363 2.003 948 H ASP 116 H ASP 116 5.089 -5.238 1.795 949 HA ASP 116 HA ASP 116 2.711 -4.997 3.246 950 HB2 ASP 116 HB2 ASP 116 2.963 -4.241 0.944 951 HB3 ASP 116 HB3 ASP 116 3.181 -5.898 0.398 952 H LYS 117 H LYS 117 4.333 -7.804 1.894 953 HA LYS 117 HA LYS 117 2.156 -9.592 2.483 954 HB2 LYS 117 HB2 LYS 117 3.638 -10.027 0.592 955 HB3 LYS 117 HB3 LYS 117 5.013 -10.153 1.674 956 HG2 LYS 117 HG2 LYS 117 4.132 -12.326 0.856 957 HG3 LYS 117 HG3 LYS 117 4.190 -12.178 2.611 958 HD2 LYS 117 HD2 LYS 117 2.126 -13.248 1.791 959 HD3 LYS 117 HD3 LYS 117 1.816 -11.772 2.701 960 HE2 LYS 117 HE2 LYS 117 1.498 -10.557 0.598 961 HE3 LYS 117 HE3 LYS 117 1.834 -12.035 -0.306 962 HZ1 LYS 117 HZ1 LYS 117 -0.094 -13.062 0.828 963 HZ2 LYS 117 HZ2 LYS 117 -0.518 -11.744 -0.156 964 HZ3 LYS 117 HZ3 LYS 117 -0.455 -11.554 1.519 965 H LEU 118 H LEU 118 5.251 -8.753 3.962 966 HA LEU 118 HA LEU 118 5.282 -10.609 6.058 967 HB2 LEU 118 HB2 LEU 118 6.699 -8.284 5.321 968 HB3 LEU 118 HB3 LEU 118 6.140 -8.023 6.963 969 HG LEU 118 HG LEU 118 7.189 -10.240 7.557 970 HD11 LEU 118 HD11 LEU 118 7.338 -11.175 5.316 971 HD12 LEU 118 HD12 LEU 118 8.938 -11.064 6.054 972 HD13 LEU 118 HD13 LEU 118 8.442 -9.885 4.840 973 HD21 LEU 118 HD21 LEU 118 8.196 -8.115 8.127 974 HD22 LEU 118 HD22 LEU 118 8.956 -8.030 6.533 975 HD23 LEU 118 HD23 LEU 118 9.436 -9.287 7.677 976 H LEU 119 H LEU 119 3.787 -7.453 5.767 977 HA LEU 119 HA LEU 119 2.693 -7.282 8.366 978 HB2 LEU 119 HB2 LEU 119 2.258 -5.917 5.745 979 HB3 LEU 119 HB3 LEU 119 1.078 -5.676 7.021 980 HG LEU 119 HG LEU 119 2.846 -3.892 6.855 981 HD11 LEU 119 HD11 LEU 119 3.170 -3.729 9.271 982 HD12 LEU 119 HD12 LEU 119 2.642 -5.403 9.450 983 HD13 LEU 119 HD13 LEU 119 1.517 -4.182 8.856 984 HD21 LEU 119 HD21 LEU 119 5.033 -4.383 7.924 985 HD22 LEU 119 HD22 LEU 119 4.809 -5.216 6.385 986 HD23 LEU 119 HD23 LEU 119 4.625 -6.100 7.901 987 H ALA 120 H ALA 120 1.709 -8.877 5.485 988 HA ALA 120 HA ALA 120 -1.062 -9.144 6.224 989 HB1 ALA 120 HB1 ALA 120 -1.324 -10.309 4.166 990 HB2 ALA 120 HB2 ALA 120 0.412 -10.605 4.047 991 HB3 ALA 120 HB3 ALA 120 -0.213 -8.964 3.873 992 H LEU 121 H LEU 121 1.824 -11.197 6.188 993 HA LEU 121 HA LEU 121 0.615 -13.472 7.379 994 HB2 LEU 121 HB2 LEU 121 3.405 -12.446 7.088 995 HB3 LEU 121 HB3 LEU 121 3.104 -13.737 8.231 996 HG LEU 121 HG LEU 121 2.255 -15.147 6.426 997 HD11 LEU 121 HD11 LEU 121 2.549 -14.460 4.088 998 HD12 LEU 121 HD12 LEU 121 2.981 -12.840 4.636 999 HD13 LEU 121 HD13 LEU 121 1.361 -13.470 4.932 1000 HD21 LEU 121 HD21 LEU 121 4.417 -15.457 5.269 1001 HD22 LEU 121 HD22 LEU 121 4.587 -15.277 7.017 1002 HD23 LEU 121 HD23 LEU 121 4.964 -13.924 5.952 1003 H GLY 122 H GLY 122 1.591 -10.409 8.520 1004 HA2 GLY 122 HA2 GLY 122 1.490 -9.429 10.583 1005 HA3 GLY 122 HA3 GLY 122 0.684 -10.880 11.179 1006 H LEU 123 H LEU 123 3.796 -10.805 9.588 1007 HA LEU 123 HA LEU 123 5.117 -12.133 11.751 1008 HB2 LEU 123 HB2 LEU 123 6.112 -10.809 9.226 1009 HB3 LEU 123 HB3 LEU 123 7.177 -11.618 10.362 1010 HG LEU 123 HG LEU 123 4.939 -12.923 8.808 1011 HD11 LEU 123 HD11 LEU 123 7.932 -13.094 8.496 1012 HD12 LEU 123 HD12 LEU 123 6.808 -12.317 7.383 1013 HD13 LEU 123 HD13 LEU 123 6.751 -14.063 7.615 1014 HD21 LEU 123 HD21 LEU 123 5.257 -13.992 10.965 1015 HD22 LEU 123 HD22 LEU 123 6.992 -14.106 10.674 1016 HD23 LEU 123 HD23 LEU 123 5.867 -15.024 9.673 1017 H VAL 124 H VAL 124 4.599 -8.936 10.671 1018 HA VAL 124 HA VAL 124 5.817 -7.850 13.102 1019 HB VAL 124 HB VAL 124 6.730 -5.937 11.798 1020 HG11 VAL 124 HG11 VAL 124 8.234 -7.714 12.484 1021 HG12 VAL 124 HG12 VAL 124 8.690 -7.126 10.885 1022 HG13 VAL 124 HG13 VAL 124 7.820 -8.651 11.050 1023 HG21 VAL 124 HG21 VAL 124 6.985 -6.136 9.385 1024 HG22 VAL 124 HG22 VAL 124 5.282 -6.186 9.835 1025 HG23 VAL 124 HG23 VAL 124 6.125 -7.675 9.407 1026 H ALA 125 H ALA 125 5.161 -5.423 13.239 1027 HA ALA 125 HA ALA 125 2.363 -5.182 12.312 1028 HB1 ALA 125 HB1 ALA 125 2.541 -5.411 14.742 1029 HB2 ALA 125 HB2 ALA 125 1.935 -3.818 14.288 1030 HB3 ALA 125 HB3 ALA 125 3.612 -4.011 14.797 1031 H GLU 126 H GLU 126 5.464 -3.998 12.051 1032 HA GLU 126 HA GLU 126 4.562 -1.685 10.541 1033 HB2 GLU 126 HB2 GLU 126 6.145 -0.188 11.736 1034 HB3 GLU 126 HB3 GLU 126 4.840 -0.758 12.772 1035 HG2 GLU 126 HG2 GLU 126 6.448 -2.569 13.531 1036 HG3 GLU 126 HG3 GLU 126 7.709 -1.627 12.739 1037 H ARG 127 H ARG 127 6.497 -0.664 9.418 1038 HA ARG 127 HA ARG 127 8.121 -2.771 8.310 1039 HB2 ARG 127 HB2 ARG 127 7.735 0.129 7.708 1040 HB3 ARG 127 HB3 ARG 127 9.182 -0.667 7.113 1041 HG2 ARG 127 HG2 ARG 127 7.489 -0.674 5.413 1042 HG3 ARG 127 HG3 ARG 127 7.785 -2.319 5.966 1043 HD2 ARG 127 HD2 ARG 127 5.392 -1.883 5.673 1044 HD3 ARG 127 HD3 ARG 127 5.786 -2.224 7.356 1045 HE ARG 127 HE ARG 127 5.821 0.573 6.839 1046 HH11 ARG 127 HH11 ARG 127 3.624 -2.110 7.340 1047 HH12 ARG 127 HH12 ARG 127 2.371 -1.124 8.020 1048 HH21 ARG 127 HH21 ARG 127 4.165 1.872 7.715 1049 HH22 ARG 127 HH22 ARG 127 2.674 1.143 8.228 1050 H ARG 128 H ARG 128 8.406 -0.487 10.808 1051 HA ARG 128 HA ARG 128 11.165 0.028 10.755 1052 HB2 ARG 128 HB2 ARG 128 9.486 1.354 12.000 1053 HB3 ARG 128 HB3 ARG 128 9.304 0.022 13.133 1054 HG2 ARG 128 HG2 ARG 128 11.684 0.255 13.734 1055 HG3 ARG 128 HG3 ARG 128 11.786 1.658 12.665 1056 HD2 ARG 128 HD2 ARG 128 9.927 2.682 14.003 1057 HD3 ARG 128 HD3 ARG 128 10.103 1.346 15.141 1058 HE ARG 128 HE ARG 128 12.559 2.749 14.621 1059 HH11 ARG 128 HH11 ARG 128 9.659 2.672 16.578 1060 HH12 ARG 128 HH12 ARG 128 10.354 3.595 17.872 1061 HH21 ARG 128 HH21 ARG 128 13.472 3.987 16.295 1062 HH22 ARG 128 HH22 ARG 128 12.528 4.366 17.703 1063 H GLU 129 H GLU 129 9.417 -2.764 11.803 1064 HA GLU 129 HA GLU 129 11.391 -3.631 13.702 1065 HB2 GLU 129 HB2 GLU 129 9.092 -5.131 12.451 1066 HB3 GLU 129 HB3 GLU 129 10.079 -5.691 13.790 1067 HG2 GLU 129 HG2 GLU 129 9.290 -3.909 15.189 1068 HG3 GLU 129 HG3 GLU 129 8.395 -3.212 13.840 1069 H LEU 130 H LEU 130 10.900 -4.031 10.305 1070 HA LEU 130 HA LEU 130 12.478 -6.448 10.142 1071 HB2 LEU 130 HB2 LEU 130 12.235 -5.422 7.560 1072 HB3 LEU 130 HB3 LEU 130 11.285 -6.702 8.280 1073 HG LEU 130 HG LEU 130 10.496 -3.806 8.498 1074 HD11 LEU 130 HD11 LEU 130 10.675 -4.378 6.141 1075 HD12 LEU 130 HD12 LEU 130 8.989 -4.203 6.626 1076 HD13 LEU 130 HD13 LEU 130 9.680 -5.811 6.406 1077 HD21 LEU 130 HD21 LEU 130 8.264 -4.779 8.861 1078 HD22 LEU 130 HD22 LEU 130 9.424 -5.295 10.086 1079 HD23 LEU 130 HD23 LEU 130 8.971 -6.393 8.782 1080 H TYR 131 H TYR 131 13.387 -3.639 10.990 1081 HA TYR 131 HA TYR 131 15.888 -3.720 9.465 1082 HB2 TYR 131 HB2 TYR 131 14.442 -1.298 10.566 1083 HB3 TYR 131 HB3 TYR 131 16.081 -1.261 9.922 1084 HD1 TYR 131 HD1 TYR 131 16.483 -1.387 7.540 1085 HD2 TYR 131 HD2 TYR 131 12.525 -1.661 9.075 1086 HE1 TYR 131 HE1 TYR 131 15.585 -1.065 5.272 1087 HE2 TYR 131 HE2 TYR 131 11.611 -1.342 6.811 1088 HH TYR 131 HH TYR 131 13.500 -1.589 4.025 1089 H LYS 132 H LYS 132 17.654 -3.833 10.602 1090 HA LYS 132 HA LYS 132 17.870 -5.269 12.816 1091 HB2 LYS 132 HB2 LYS 132 19.618 -4.444 11.117 1092 HB3 LYS 132 HB3 LYS 132 19.950 -3.173 12.276 1093 HG2 LYS 132 HG2 LYS 132 21.508 -5.033 12.506 1094 HG3 LYS 132 HG3 LYS 132 20.528 -4.867 13.960 1095 HD2 LYS 132 HD2 LYS 132 19.131 -6.706 13.300 1096 HD3 LYS 132 HD3 LYS 132 19.929 -6.802 11.729 1097 HE2 LYS 132 HE2 LYS 132 22.007 -7.450 12.789 1098 HE3 LYS 132 HE3 LYS 132 21.288 -7.252 14.384 1099 HZ1 LYS 132 HZ1 LYS 132 19.847 -9.084 13.994 1100 HZ2 LYS 132 HZ2 LYS 132 21.409 -9.583 13.580 1101 HZ3 LYS 132 HZ3 LYS 132 20.298 -9.185 12.366 1102 H LYS 133 H LYS 133 19.804 -2.968 14.091 1103 HA LYS 133 HA LYS 133 18.637 -2.970 16.605 1104 HB2 LYS 133 HB2 LYS 133 20.463 -0.891 15.401 1105 HB3 LYS 133 HB3 LYS 133 20.151 -1.089 17.113 1106 HG2 LYS 133 HG2 LYS 133 21.308 -3.116 17.233 1107 HG3 LYS 133 HG3 LYS 133 21.296 -3.335 15.489 1108 HD2 LYS 133 HD2 LYS 133 22.763 -1.094 16.864 1109 HD3 LYS 133 HD3 LYS 133 23.502 -2.649 16.482 1110 HE2 LYS 133 HE2 LYS 133 22.957 -2.279 14.098 1111 HE3 LYS 133 HE3 LYS 133 22.317 -0.694 14.513 1112 HZ1 LYS 133 HZ1 LYS 133 25.120 -1.582 14.891 1113 HZ2 LYS 133 HZ2 LYS 133 24.510 -0.065 15.311 1114 HZ3 LYS 133 HZ3 LYS 133 24.568 -0.529 13.690 1115 H ARG 134 H ARG 134 18.041 -0.827 17.793 1116 HA ARG 134 HA ARG 134 15.588 0.050 16.702 1117 HB2 ARG 134 HB2 ARG 134 17.170 0.828 19.116 1118 HB3 ARG 134 HB3 ARG 134 15.787 1.796 18.635 1119 HG2 ARG 134 HG2 ARG 134 15.123 0.201 20.305 1120 HG3 ARG 134 HG3 ARG 134 14.372 -0.208 18.762 1121 HD2 ARG 134 HD2 ARG 134 15.247 -2.171 19.999 1122 HD3 ARG 134 HD3 ARG 134 15.947 -1.970 18.394 1123 HE ARG 134 HE ARG 134 17.504 -0.762 20.492 1124 HH11 ARG 134 HH11 ARG 134 16.829 -3.729 18.770 1125 HH12 ARG 134 HH12 ARG 134 18.392 -4.417 19.074 1126 HH21 ARG 134 HH21 ARG 134 19.578 -1.665 20.895 1127 HH22 ARG 134 HH22 ARG 134 19.950 -3.248 20.291 1128 H GLN 135 H GLN 135 16.335 0.772 14.691 1129 HA GLN 135 HA GLN 135 17.753 3.233 14.429 1130 HB2 GLN 135 HB2 GLN 135 16.486 2.917 12.028 1131 HB3 GLN 135 HB3 GLN 135 18.051 2.242 12.445 1132 HG2 GLN 135 HG2 GLN 135 16.661 0.575 11.398 1133 HG3 GLN 135 HG3 GLN 135 16.983 0.133 13.068 1134 HE21 GLN 135 HE21 GLN 135 15.247 -1.217 13.228 1135 HE22 GLN 135 HE22 GLN 135 13.598 -0.681 13.216 1136 H LYS 136 H LYS 136 16.854 5.048 13.176 1137 HA LYS 136 HA LYS 136 14.020 5.607 13.737 1138 HB2 LYS 136 HB2 LYS 136 16.384 7.490 13.997 1139 HB3 LYS 136 HB3 LYS 136 14.707 8.013 14.047 1140 HG2 LYS 136 HG2 LYS 136 14.305 6.714 16.035 1141 HG3 LYS 136 HG3 LYS 136 15.940 6.057 15.973 1142 HD2 LYS 136 HD2 LYS 136 15.326 8.996 16.233 1143 HD3 LYS 136 HD3 LYS 136 15.598 7.930 17.613 1144 HE2 LYS 136 HE2 LYS 136 17.815 7.340 16.560 1145 HE3 LYS 136 HE3 LYS 136 17.535 8.659 15.426 1146 HZ1 LYS 136 HZ1 LYS 136 17.423 10.192 17.284 1147 HZ2 LYS 136 HZ2 LYS 136 18.895 9.359 17.288 1148 HZ3 LYS 136 HZ3 LYS 136 17.677 8.924 18.375 1149 H LYS 137 H LYS 137 14.367 8.242 12.260 1150 HA LYS 137 HA LYS 137 14.064 7.151 9.637 1151 HB2 LYS 137 HB2 LYS 137 13.465 9.345 8.908 1152 HB3 LYS 137 HB3 LYS 137 12.712 9.072 10.464 1153 HG2 LYS 137 HG2 LYS 137 15.182 10.735 9.988 1154 HG3 LYS 137 HG3 LYS 137 13.551 11.363 10.180 1155 HD2 LYS 137 HD2 LYS 137 14.154 11.605 12.332 1156 HD3 LYS 137 HD3 LYS 137 13.807 9.880 12.443 1157 HE2 LYS 137 HE2 LYS 137 15.967 10.368 13.443 1158 HE3 LYS 137 HE3 LYS 137 16.177 9.389 11.992 1159 HZ1 LYS 137 HZ1 LYS 137 16.561 12.333 12.153 1160 HZ2 LYS 137 HZ2 LYS 137 16.765 11.388 10.768 1161 HZ3 LYS 137 HZ3 LYS 137 17.795 11.179 12.091 1162 H LEU 138 H LEU 138 16.081 6.189 9.321 1163 HA LEU 138 HA LEU 138 17.935 8.024 8.035 1164 HB2 LEU 138 HB2 LEU 138 19.898 7.164 8.986 1165 HB3 LEU 138 HB3 LEU 138 18.826 7.441 10.341 1166 HG LEU 138 HG LEU 138 19.151 4.713 9.100 1167 HD11 LEU 138 HD11 LEU 138 20.705 5.904 11.398 1168 HD12 LEU 138 HD12 LEU 138 21.357 5.493 9.812 1169 HD13 LEU 138 HD13 LEU 138 20.760 4.220 10.876 1170 HD21 LEU 138 HD21 LEU 138 17.198 5.004 10.508 1171 HD22 LEU 138 HD22 LEU 138 18.200 5.667 11.797 1172 HD23 LEU 138 HD23 LEU 138 18.382 3.980 11.317 1173 H ALA 139 H ALA 139 19.552 6.635 6.667 1174 HA ALA 139 HA ALA 139 18.087 4.978 4.926 1175 HB1 ALA 139 HB1 ALA 139 20.149 6.182 4.282 1176 HB2 ALA 139 HB2 ALA 139 20.217 4.466 3.884 1177 HB3 ALA 139 HB3 ALA 139 21.083 5.080 5.293 1178 H SER 140 H SER 140 18.648 2.653 4.475 1179 HA SER 140 HA SER 140 18.038 1.074 6.688 1180 HB2 SER 140 HB2 SER 140 17.633 0.470 4.288 1181 HB3 SER 140 HB3 SER 140 19.356 0.130 4.131 1182 HG SER 140 HG SER 140 18.419 -1.801 4.599 1183 H SER 141 H SER 141 19.303 0.902 8.413 1184 HA SER 141 HA SER 141 21.952 -0.175 8.203 1185 HB2 SER 141 HB2 SER 141 22.105 2.398 7.847 1186 HB3 SER 141 HB3 SER 141 21.705 2.511 9.561 1187 HG SER 141 HG SER 141 23.987 1.404 8.332 Start of MODEL 17 1 H1 ASP 1 HT1 ASP 1 -21.261 6.128 -8.852 2 H2 ASP 1 HT2 ASP 1 -21.087 7.642 -8.118 3 H3 ASP 1 HT3 ASP 1 -20.493 7.386 -9.685 4 HA ASP 1 HA ASP 1 -22.758 7.013 -10.475 5 HB2 ASP 1 HB2 ASP 1 -24.632 7.490 -9.027 6 HB3 ASP 1 HB3 ASP 1 -23.620 6.291 -8.224 7 HA PRO 2 HA PRO 2 -22.697 11.502 -10.885 8 HB2 PRO 2 HB2 PRO 2 -24.215 11.683 -13.075 9 HB3 PRO 2 HB3 PRO 2 -22.598 10.977 -13.148 10 HG2 PRO 2 HG2 PRO 2 -25.241 9.652 -13.287 11 HG3 PRO 2 HG3 PRO 2 -23.685 9.135 -13.956 12 HD2 PRO 2 HD2 PRO 2 -24.928 8.282 -11.513 13 HD3 PRO 2 HD3 PRO 2 -23.357 7.786 -12.171 14 H SER 3 H SER 3 -24.871 9.841 -9.345 15 HA SER 3 HA SER 3 -27.347 11.154 -9.920 16 HB2 SER 3 HB2 SER 3 -26.488 9.258 -7.727 17 HB3 SER 3 HB3 SER 3 -28.140 9.836 -7.914 18 HG SER 3 HG SER 3 -28.009 8.971 -10.105 19 H ARG 4 H ARG 4 -25.207 11.143 -7.058 20 HA ARG 4 HA ARG 4 -25.836 13.936 -6.593 21 HB2 ARG 4 HB2 ARG 4 -26.401 13.367 -4.139 22 HB3 ARG 4 HB3 ARG 4 -27.652 13.126 -5.353 23 HG2 ARG 4 HG2 ARG 4 -26.987 10.717 -5.435 24 HG3 ARG 4 HG3 ARG 4 -25.927 11.029 -4.058 25 HD2 ARG 4 HD2 ARG 4 -28.839 11.737 -3.977 26 HD3 ARG 4 HD3 ARG 4 -28.294 10.104 -3.620 27 HE ARG 4 HE ARG 4 -26.924 12.132 -2.109 28 HH11 ARG 4 HH11 ARG 4 -29.751 10.072 -2.232 29 HH12 ARG 4 HH12 ARG 4 -30.027 10.131 -0.520 30 HH21 ARG 4 HH21 ARG 4 -27.285 12.200 0.146 31 HH22 ARG 4 HH22 ARG 4 -28.629 11.340 0.829 32 H ARG 5 H ARG 5 -24.722 14.395 -4.191 33 HA ARG 5 HA ARG 5 -21.970 13.635 -4.523 34 HB2 ARG 5 HB2 ARG 5 -21.457 15.070 -2.744 35 HB3 ARG 5 HB3 ARG 5 -22.835 15.844 -3.504 36 HG2 ARG 5 HG2 ARG 5 -24.248 15.355 -1.764 37 HG3 ARG 5 HG3 ARG 5 -23.282 13.978 -1.229 38 HD2 ARG 5 HD2 ARG 5 -23.021 15.771 0.355 39 HD3 ARG 5 HD3 ARG 5 -21.507 15.549 -0.525 40 HE ARG 5 HE ARG 5 -23.315 17.575 -1.563 41 HH11 ARG 5 HH11 ARG 5 -20.516 16.876 0.428 42 HH12 ARG 5 HH12 ARG 5 -19.915 18.502 0.364 43 HH21 ARG 5 HH21 ARG 5 -22.524 19.708 -1.635 44 HH22 ARG 5 HH22 ARG 5 -21.060 20.112 -0.791 45 H ALA 6 H ALA 6 -20.768 12.677 -2.638 46 HA ALA 6 HA ALA 6 -21.930 10.165 -1.989 47 HB1 ALA 6 HB1 ALA 6 -19.414 11.484 -0.989 48 HB2 ALA 6 HB2 ALA 6 -19.548 10.385 -2.364 49 HB3 ALA 6 HB3 ALA 6 -19.854 9.795 -0.728 50 HA PRO 7 HA PRO 7 -24.080 11.431 1.758 51 HB2 PRO 7 HB2 PRO 7 -24.092 8.505 2.149 52 HB3 PRO 7 HB3 PRO 7 -25.450 9.636 2.134 53 HG2 PRO 7 HG2 PRO 7 -25.008 7.944 0.111 54 HG3 PRO 7 HG3 PRO 7 -25.633 9.582 -0.167 55 HD2 PRO 7 HD2 PRO 7 -22.886 8.494 -0.585 56 HD3 PRO 7 HD3 PRO 7 -23.788 9.691 -1.538 57 H THR 8 H THR 8 -23.410 11.667 3.842 58 HA THR 8 HA THR 8 -20.744 10.869 4.512 59 HB THR 8 HB THR 8 -21.387 11.899 6.778 60 HG1 THR 8 HG1 THR 8 -23.750 11.670 6.090 61 HG21 THR 8 HG21 THR 8 -21.573 13.589 4.281 62 HG22 THR 8 HG22 THR 8 -20.080 13.068 5.061 63 HG23 THR 8 HG23 THR 8 -21.174 14.171 5.896 64 H TRP 9 H TRP 9 -20.071 9.296 5.877 65 HA TRP 9 HA TRP 9 -21.926 7.130 6.266 66 HB2 TRP 9 HB2 TRP 9 -18.982 7.380 6.893 67 HB3 TRP 9 HB3 TRP 9 -19.923 5.911 7.117 68 HD1 TRP 9 HD1 TRP 9 -18.540 8.174 4.349 69 HE1 TRP 9 HE1 TRP 9 -18.464 6.832 2.163 70 HE3 TRP 9 HE3 TRP 9 -20.935 3.926 5.906 71 HZ2 TRP 9 HZ2 TRP 9 -19.294 4.312 1.217 72 HZ3 TRP 9 HZ3 TRP 9 -21.261 2.098 4.283 73 HH2 TRP 9 HH2 TRP 9 -20.456 2.293 1.990 74 H SER 10 H SER 10 -23.122 6.871 8.002 75 HA SER 10 HA SER 10 -22.498 8.022 10.558 76 HB2 SER 10 HB2 SER 10 -24.838 7.646 9.929 77 HB3 SER 10 HB3 SER 10 -24.532 5.926 9.709 78 HG SER 10 HG SER 10 -25.509 6.360 11.728 79 HA PRO 11 HA PRO 11 -19.734 4.877 12.140 80 HB2 PRO 11 HB2 PRO 11 -20.909 4.537 14.658 81 HB3 PRO 11 HB3 PRO 11 -19.651 5.706 14.255 82 HG2 PRO 11 HG2 PRO 11 -22.598 6.090 14.469 83 HG3 PRO 11 HG3 PRO 11 -21.286 7.196 14.913 84 HD2 PRO 11 HD2 PRO 11 -22.720 7.564 12.683 85 HD3 PRO 11 HD3 PRO 11 -20.977 7.905 12.723 86 H GLU 12 H GLU 12 -23.203 4.522 12.428 87 HA GLU 12 HA GLU 12 -23.268 1.721 12.898 88 HB2 GLU 12 HB2 GLU 12 -25.369 3.482 11.626 89 HB3 GLU 12 HB3 GLU 12 -25.632 1.910 12.368 90 HG2 GLU 12 HG2 GLU 12 -25.179 2.761 14.536 91 HG3 GLU 12 HG3 GLU 12 -24.576 4.281 13.877 92 H GLU 13 H GLU 13 -23.017 3.714 10.066 93 HA GLU 13 HA GLU 13 -23.750 1.593 8.241 94 HB2 GLU 13 HB2 GLU 13 -24.280 4.071 7.926 95 HB3 GLU 13 HB3 GLU 13 -22.584 4.273 7.510 96 HG2 GLU 13 HG2 GLU 13 -23.885 4.069 5.503 97 HG3 GLU 13 HG3 GLU 13 -22.862 2.643 5.686 98 H GLU 14 H GLU 14 -20.823 3.320 9.248 99 HA GLU 14 HA GLU 14 -19.067 2.068 7.417 100 HB2 GLU 14 HB2 GLU 14 -18.450 3.149 10.179 101 HB3 GLU 14 HB3 GLU 14 -17.266 2.773 8.934 102 HG2 GLU 14 HG2 GLU 14 -18.397 4.464 7.477 103 HG3 GLU 14 HG3 GLU 14 -19.363 4.922 8.879 104 H ALA 15 H ALA 15 -20.288 1.131 10.577 105 HA ALA 15 HA ALA 15 -18.691 -1.205 10.851 106 HB1 ALA 15 HB1 ALA 15 -20.313 -1.870 12.561 107 HB2 ALA 15 HB2 ALA 15 -21.389 -0.568 12.050 108 HB3 ALA 15 HB3 ALA 15 -19.819 -0.190 12.763 109 H HIS 16 H HIS 16 -21.735 -0.485 9.315 110 HA HIS 16 HA HIS 16 -22.444 -3.127 8.604 111 HB2 HIS 16 HB2 HIS 16 -24.096 -1.306 8.697 112 HB3 HIS 16 HB3 HIS 16 -23.272 -0.482 7.380 113 HD1 HIS 16 HD1 HIS 16 -25.117 -0.534 5.705 114 HD2 HIS 16 HD2 HIS 16 -24.219 -4.303 7.228 115 HE1 HIS 16 HE1 HIS 16 -26.436 -2.177 4.316 116 HE2 HIS 16 HE2 HIS 16 -26.022 -4.419 5.382 117 H LEU 17 H LEU 17 -20.411 -0.673 7.231 118 HA LEU 17 HA LEU 17 -20.118 -1.764 4.646 119 HB2 LEU 17 HB2 LEU 17 -19.444 0.550 5.472 120 HB3 LEU 17 HB3 LEU 17 -18.030 -0.214 6.168 121 HG LEU 17 HG LEU 17 -17.308 -0.931 3.926 122 HD11 LEU 17 HD11 LEU 17 -18.454 0.061 1.959 123 HD12 LEU 17 HD12 LEU 17 -19.765 0.558 3.026 124 HD13 LEU 17 HD13 LEU 17 -19.411 -1.155 2.801 125 HD21 LEU 17 HD21 LEU 17 -16.701 1.264 3.086 126 HD22 LEU 17 HD22 LEU 17 -16.531 1.192 4.841 127 HD23 LEU 17 HD23 LEU 17 -17.920 2.009 4.122 128 H ARG 18 H ARG 18 -18.203 -2.115 7.626 129 HA ARG 18 HA ARG 18 -16.520 -4.132 6.504 130 HB2 ARG 18 HB2 ARG 18 -15.609 -4.396 8.705 131 HB3 ARG 18 HB3 ARG 18 -15.856 -2.678 8.440 132 HG2 ARG 18 HG2 ARG 18 -17.867 -2.727 9.782 133 HG3 ARG 18 HG3 ARG 18 -17.710 -4.469 9.992 134 HD2 ARG 18 HD2 ARG 18 -16.894 -3.449 11.974 135 HD3 ARG 18 HD3 ARG 18 -15.496 -4.046 11.084 136 HE ARG 18 HE ARG 18 -15.832 -1.410 10.320 137 HH11 ARG 18 HH11 ARG 18 -15.187 -3.169 13.270 138 HH12 ARG 18 HH12 ARG 18 -14.296 -1.877 14.003 139 HH21 ARG 18 HH21 ARG 18 -14.654 0.309 11.282 140 HH22 ARG 18 HH22 ARG 18 -14.016 0.109 12.884 141 H GLU 19 H GLU 19 -19.558 -3.995 8.166 142 HA GLU 19 HA GLU 19 -19.878 -6.549 9.099 143 HB2 GLU 19 HB2 GLU 19 -21.513 -4.820 9.517 144 HB3 GLU 19 HB3 GLU 19 -21.927 -4.764 7.810 145 HG2 GLU 19 HG2 GLU 19 -23.603 -5.938 9.133 146 HG3 GLU 19 HG3 GLU 19 -22.859 -6.978 7.922 147 H LEU 20 H LEU 20 -20.814 -5.306 5.928 148 HA LEU 20 HA LEU 20 -21.581 -7.806 4.849 149 HB2 LEU 20 HB2 LEU 20 -21.684 -5.091 4.121 150 HB3 LEU 20 HB3 LEU 20 -20.802 -5.896 2.841 151 HG LEU 20 HG LEU 20 -23.446 -6.953 3.791 152 HD11 LEU 20 HD11 LEU 20 -23.003 -4.881 1.649 153 HD12 LEU 20 HD12 LEU 20 -23.768 -4.599 3.210 154 HD13 LEU 20 HD13 LEU 20 -24.530 -5.670 2.035 155 HD21 LEU 20 HD21 LEU 20 -22.107 -8.427 2.408 156 HD22 LEU 20 HD22 LEU 20 -21.926 -7.159 1.196 157 HD23 LEU 20 HD23 LEU 20 -23.515 -7.859 1.509 158 H TYR 21 H TYR 21 -18.546 -6.129 5.077 159 HA TYR 21 HA TYR 21 -17.185 -7.620 3.050 160 HB2 TYR 21 HB2 TYR 21 -16.362 -5.417 3.743 161 HB3 TYR 21 HB3 TYR 21 -16.105 -6.011 5.379 162 HD1 TYR 21 HD1 TYR 21 -14.138 -7.241 5.949 163 HD2 TYR 21 HD2 TYR 21 -14.914 -6.240 1.889 164 HE1 TYR 21 HE1 TYR 21 -11.850 -7.923 5.351 165 HE2 TYR 21 HE2 TYR 21 -12.632 -6.918 1.281 166 HH TYR 21 HH TYR 21 -10.512 -7.285 2.216 167 H LEU 22 H LEU 22 -17.171 -7.686 6.588 168 HA LEU 22 HA LEU 22 -15.433 -9.864 6.892 169 HB2 LEU 22 HB2 LEU 22 -17.660 -9.057 8.769 170 HB3 LEU 22 HB3 LEU 22 -16.205 -9.944 9.178 171 HG LEU 22 HG LEU 22 -16.294 -7.066 8.266 172 HD11 LEU 22 HD11 LEU 22 -15.654 -6.532 10.558 173 HD12 LEU 22 HD12 LEU 22 -15.807 -8.235 10.997 174 HD13 LEU 22 HD13 LEU 22 -17.227 -7.326 10.484 175 HD21 LEU 22 HD21 LEU 22 -13.960 -6.965 8.742 176 HD22 LEU 22 HD22 LEU 22 -14.230 -8.319 7.642 177 HD23 LEU 22 HD23 LEU 22 -13.956 -8.618 9.359 178 H ALA 23 H ALA 23 -18.804 -9.688 6.151 179 HA ALA 23 HA ALA 23 -19.421 -12.414 6.723 180 HB1 ALA 23 HB1 ALA 23 -20.850 -10.461 4.920 181 HB2 ALA 23 HB2 ALA 23 -21.142 -10.665 6.647 182 HB3 ALA 23 HB3 ALA 23 -21.497 -11.983 5.531 183 H ASN 24 H ASN 24 -18.847 -10.647 3.660 184 HA ASN 24 HA ASN 24 -18.878 -13.208 2.252 185 HB2 ASN 24 HB2 ASN 24 -19.104 -10.358 1.294 186 HB3 ASN 24 HB3 ASN 24 -19.005 -11.735 0.203 187 HD21 ASN 24 HD21 ASN 24 -20.951 -10.059 2.545 188 HD22 ASN 24 HD22 ASN 24 -22.437 -10.876 2.190 189 H LYS 25 H LYS 25 -16.494 -11.991 3.794 190 HA LYS 25 HA LYS 25 -14.568 -11.538 1.698 191 HB2 LYS 25 HB2 LYS 25 -12.904 -11.531 3.549 192 HB3 LYS 25 HB3 LYS 25 -14.216 -10.388 3.775 193 HG2 LYS 25 HG2 LYS 25 -15.276 -11.835 5.373 194 HG3 LYS 25 HG3 LYS 25 -14.079 -13.098 5.074 195 HD2 LYS 25 HD2 LYS 25 -13.380 -10.354 6.112 196 HD3 LYS 25 HD3 LYS 25 -13.717 -11.733 7.158 197 HE2 LYS 25 HE2 LYS 25 -11.580 -11.698 5.035 198 HE3 LYS 25 HE3 LYS 25 -11.294 -11.329 6.733 199 HZ1 LYS 25 HZ1 LYS 25 -11.732 -13.508 7.359 200 HZ2 LYS 25 HZ2 LYS 25 -10.859 -13.698 5.922 201 HZ3 LYS 25 HZ3 LYS 25 -12.545 -13.887 5.919 202 H ASP 26 H ASP 26 -15.832 -14.244 3.349 203 HA ASP 26 HA ASP 26 -13.510 -15.908 2.699 204 HB2 ASP 26 HB2 ASP 26 -15.813 -16.265 4.596 205 HB3 ASP 26 HB3 ASP 26 -14.783 -17.615 4.136 206 H VAL 27 H VAL 27 -15.957 -14.977 0.966 207 HA VAL 27 HA VAL 27 -16.894 -17.562 0.075 208 HB VAL 27 HB VAL 27 -18.358 -16.347 -1.399 209 HG11 VAL 27 HG11 VAL 27 -19.163 -16.645 0.845 210 HG12 VAL 27 HG12 VAL 27 -19.668 -15.057 0.261 211 HG13 VAL 27 HG13 VAL 27 -18.310 -15.198 1.376 212 HG21 VAL 27 HG21 VAL 27 -16.874 -14.549 -2.048 213 HG22 VAL 27 HG22 VAL 27 -16.983 -13.863 -0.426 214 HG23 VAL 27 HG23 VAL 27 -18.409 -13.906 -1.465 215 H GLU 28 H GLU 28 -16.392 -18.467 -1.876 216 HA GLU 28 HA GLU 28 -14.283 -17.101 -3.391 217 HB2 GLU 28 HB2 GLU 28 -14.547 -20.063 -2.863 218 HB3 GLU 28 HB3 GLU 28 -13.331 -19.324 -3.898 219 HG2 GLU 28 HG2 GLU 28 -12.603 -18.001 -1.870 220 HG3 GLU 28 HG3 GLU 28 -13.642 -19.063 -0.922 221 H GLY 29 H GLY 29 -14.447 -17.095 -5.566 222 HA2 GLY 29 HA2 GLY 29 -15.455 -17.527 -7.655 223 HA3 GLY 29 HA3 GLY 29 -16.735 -18.415 -6.831 224 H GLN 30 H GLN 30 -16.250 -15.778 -5.058 225 HA GLN 30 HA GLN 30 -17.998 -13.998 -6.585 226 HB2 GLN 30 HB2 GLN 30 -19.527 -15.117 -5.128 227 HB3 GLN 30 HB3 GLN 30 -18.420 -15.004 -3.767 228 HG2 GLN 30 HG2 GLN 30 -18.683 -12.475 -3.989 229 HG3 GLN 30 HG3 GLN 30 -20.062 -12.836 -5.024 230 HE21 GLN 30 HE21 GLN 30 -19.710 -11.609 -2.297 231 HE22 GLN 30 HE22 GLN 30 -20.846 -12.458 -1.302 232 H ASP 31 H ASP 31 -17.668 -11.806 -6.137 233 HA ASP 31 HA ASP 31 -15.239 -11.126 -4.705 234 HB2 ASP 31 HB2 ASP 31 -17.246 -9.447 -6.218 235 HB3 ASP 31 HB3 ASP 31 -15.863 -8.771 -5.368 236 H VAL 32 H VAL 32 -15.144 -10.265 -2.698 237 HA VAL 32 HA VAL 32 -17.463 -10.074 -1.073 238 HB VAL 32 HB VAL 32 -15.173 -10.427 -0.139 239 HG11 VAL 32 HG11 VAL 32 -13.925 -8.869 -1.524 240 HG12 VAL 32 HG12 VAL 32 -13.694 -8.504 0.184 241 HG13 VAL 32 HG13 VAL 32 -14.781 -7.512 -0.793 242 HG21 VAL 32 HG21 VAL 32 -15.450 -8.898 1.792 243 HG22 VAL 32 HG22 VAL 32 -16.929 -9.746 1.343 244 HG23 VAL 32 HG23 VAL 32 -16.713 -8.055 0.893 245 H VAL 33 H VAL 33 -15.566 -7.833 -2.955 246 HA VAL 33 HA VAL 33 -16.633 -5.394 -2.205 247 HB VAL 33 HB VAL 33 -16.204 -5.681 -5.089 248 HG11 VAL 33 HG11 VAL 33 -16.320 -3.530 -4.084 249 HG12 VAL 33 HG12 VAL 33 -14.680 -3.784 -4.676 250 HG13 VAL 33 HG13 VAL 33 -15.031 -3.928 -2.954 251 HG21 VAL 33 HG21 VAL 33 -13.671 -5.869 -4.709 252 HG22 VAL 33 HG22 VAL 33 -14.639 -7.339 -4.665 253 HG23 VAL 33 HG23 VAL 33 -14.104 -6.596 -3.161 254 H GLU 34 H GLU 34 -17.583 -7.459 -4.924 255 HA GLU 34 HA GLU 34 -19.692 -5.961 -5.904 256 HB2 GLU 34 HB2 GLU 34 -18.585 -8.055 -6.881 257 HB3 GLU 34 HB3 GLU 34 -19.681 -8.979 -5.865 258 HG2 GLU 34 HG2 GLU 34 -20.743 -8.910 -7.927 259 HG3 GLU 34 HG3 GLU 34 -21.547 -7.648 -6.993 260 H ALA 35 H ALA 35 -19.629 -8.352 -3.336 261 HA ALA 35 HA ALA 35 -22.385 -8.490 -2.801 262 HB1 ALA 35 HB1 ALA 35 -21.694 -9.329 -0.594 263 HB2 ALA 35 HB2 ALA 35 -20.036 -8.837 -0.942 264 HB3 ALA 35 HB3 ALA 35 -20.803 -10.102 -1.905 265 H ILE 36 H ILE 36 -19.827 -6.536 -1.303 266 HA ILE 36 HA ILE 36 -21.497 -5.189 0.510 267 HB ILE 36 HB ILE 36 -18.938 -4.109 -0.659 268 HG12 ILE 36 HG12 ILE 36 -19.246 -5.883 1.769 269 HG13 ILE 36 HG13 ILE 36 -18.745 -6.473 0.189 270 HG21 ILE 36 HG21 ILE 36 -18.751 -2.992 1.524 271 HG22 ILE 36 HG22 ILE 36 -20.319 -3.661 1.984 272 HG23 ILE 36 HG23 ILE 36 -20.208 -2.510 0.651 273 HD11 ILE 36 HD11 ILE 36 -16.791 -5.022 0.272 274 HD12 ILE 36 HD12 ILE 36 -16.848 -6.131 1.642 275 HD13 ILE 36 HD13 ILE 36 -17.296 -4.440 1.859 276 H LEU 37 H LEU 37 -20.065 -4.028 -2.534 277 HA LEU 37 HA LEU 37 -21.045 -1.453 -2.571 278 HB2 LEU 37 HB2 LEU 37 -20.968 -3.075 -5.090 279 HB3 LEU 37 HB3 LEU 37 -20.601 -1.385 -4.878 280 HG LEU 37 HG LEU 37 -18.856 -3.549 -3.728 281 HD11 LEU 37 HD11 LEU 37 -17.431 -3.273 -5.700 282 HD12 LEU 37 HD12 LEU 37 -18.640 -2.216 -6.423 283 HD13 LEU 37 HD13 LEU 37 -19.016 -3.912 -6.131 284 HD21 LEU 37 HD21 LEU 37 -18.351 -0.668 -4.438 285 HD22 LEU 37 HD22 LEU 37 -17.182 -1.788 -3.741 286 HD23 LEU 37 HD23 LEU 37 -18.602 -1.302 -2.814 287 H ALA 38 H ALA 38 -22.660 -4.394 -3.597 288 HA ALA 38 HA ALA 38 -24.823 -2.920 -4.838 289 HB1 ALA 38 HB1 ALA 38 -25.542 -5.058 -5.674 290 HB2 ALA 38 HB2 ALA 38 -24.393 -5.885 -4.620 291 HB3 ALA 38 HB3 ALA 38 -23.808 -4.861 -5.933 292 H HIS 39 H HIS 39 -24.307 -4.854 -1.936 293 HA HIS 39 HA HIS 39 -27.127 -5.305 -1.574 294 HB2 HIS 39 HB2 HIS 39 -24.694 -6.046 -0.010 295 HB3 HIS 39 HB3 HIS 39 -26.277 -6.134 0.753 296 HD1 HIS 39 HD1 HIS 39 -27.790 -8.050 0.103 297 HD2 HIS 39 HD2 HIS 39 -24.301 -7.886 -2.137 298 HE1 HIS 39 HE1 HIS 39 -27.736 -10.191 -1.213 299 HE2 HIS 39 HE2 HIS 39 -25.716 -9.975 -2.704 300 H LEU 40 H LEU 40 -24.818 -2.944 -0.375 301 HA LEU 40 HA LEU 40 -26.856 -2.015 1.484 302 HB2 LEU 40 HB2 LEU 40 -24.997 -0.249 2.014 303 HB3 LEU 40 HB3 LEU 40 -24.960 -1.855 2.693 304 HG LEU 40 HG LEU 40 -23.346 -2.455 0.816 305 HD11 LEU 40 HD11 LEU 40 -22.066 -0.592 -0.130 306 HD12 LEU 40 HD12 LEU 40 -23.210 0.547 0.584 307 HD13 LEU 40 HD13 LEU 40 -23.746 -0.581 -0.667 308 HD21 LEU 40 HD21 LEU 40 -22.681 -2.152 3.133 309 HD22 LEU 40 HD22 LEU 40 -22.536 -0.413 2.876 310 HD23 LEU 40 HD23 LEU 40 -21.451 -1.522 2.038 311 H ASN 41 H ASN 41 -28.338 -1.402 -0.094 312 HA ASN 41 HA ASN 41 -27.738 0.824 -1.838 313 HB2 ASN 41 HB2 ASN 41 -30.365 -0.533 -1.178 314 HB3 ASN 41 HB3 ASN 41 -30.169 0.733 -2.385 315 HD21 ASN 41 HD21 ASN 41 -29.689 -2.601 -1.637 316 HD22 ASN 41 HD22 ASN 41 -29.150 -3.090 -3.204 317 H THR 42 H THR 42 -27.113 1.428 0.707 318 HA THR 42 HA THR 42 -29.239 3.184 1.709 319 HB THR 42 HB THR 42 -28.484 1.643 3.385 320 HG1 THR 42 HG1 THR 42 -27.132 3.324 4.738 321 HG21 THR 42 HG21 THR 42 -25.665 2.562 2.814 322 HG22 THR 42 HG22 THR 42 -26.356 1.009 2.347 323 HG23 THR 42 HG23 THR 42 -26.149 1.403 4.055 324 H VAL 43 H VAL 43 -26.241 3.106 0.096 325 HA VAL 43 HA VAL 43 -25.977 6.012 0.371 326 HB VAL 43 HB VAL 43 -23.454 5.655 0.204 327 HG11 VAL 43 HG11 VAL 43 -24.819 4.841 2.755 328 HG12 VAL 43 HG12 VAL 43 -24.549 6.496 2.207 329 HG13 VAL 43 HG13 VAL 43 -23.174 5.460 2.597 330 HG21 VAL 43 HG21 VAL 43 -23.412 3.304 -0.344 331 HG22 VAL 43 HG22 VAL 43 -24.265 2.908 1.147 332 HG23 VAL 43 HG23 VAL 43 -22.625 3.550 1.214 333 HA PRO 44 HA PRO 44 -25.800 5.501 -4.164 334 HB2 PRO 44 HB2 PRO 44 -26.101 8.397 -4.094 335 HB3 PRO 44 HB3 PRO 44 -27.140 7.187 -4.849 336 HG2 PRO 44 HG2 PRO 44 -27.808 8.632 -2.620 337 HG3 PRO 44 HG3 PRO 44 -28.512 7.064 -3.043 338 HD2 PRO 44 HD2 PRO 44 -26.510 7.763 -0.983 339 HD3 PRO 44 HD3 PRO 44 -27.681 6.434 -1.015 340 H ARG 45 H ARG 45 -23.604 5.055 -4.304 341 HA ARG 45 HA ARG 45 -21.906 7.334 -4.777 342 HB2 ARG 45 HB2 ARG 45 -20.156 6.717 -3.231 343 HB3 ARG 45 HB3 ARG 45 -21.645 6.998 -2.344 344 HG2 ARG 45 HG2 ARG 45 -21.909 4.424 -2.555 345 HG3 ARG 45 HG3 ARG 45 -20.171 4.468 -2.850 346 HD2 ARG 45 HD2 ARG 45 -21.696 5.192 -0.399 347 HD3 ARG 45 HD3 ARG 45 -20.240 4.226 -0.563 348 HE ARG 45 HE ARG 45 -19.098 6.396 -1.058 349 HH11 ARG 45 HH11 ARG 45 -22.017 6.328 0.868 350 HH12 ARG 45 HH12 ARG 45 -21.632 7.782 1.733 351 HH21 ARG 45 HH21 ARG 45 -18.599 8.333 0.093 352 HH22 ARG 45 HH22 ARG 45 -19.712 8.910 1.295 353 H THR 46 H THR 46 -19.699 6.619 -5.494 354 HA THR 46 HA THR 46 -19.948 4.469 -7.358 355 HB THR 46 HB THR 46 -18.621 6.515 -7.834 356 HG1 THR 46 HG1 THR 46 -17.375 5.356 -9.126 357 HG21 THR 46 HG21 THR 46 -16.701 5.323 -5.842 358 HG22 THR 46 HG22 THR 46 -17.547 6.864 -5.694 359 HG23 THR 46 HG23 THR 46 -16.319 6.647 -6.941 360 H ARG 47 H ARG 47 -18.232 2.763 -7.470 361 HA ARG 47 HA ARG 47 -18.526 1.248 -5.059 362 HB2 ARG 47 HB2 ARG 47 -17.183 0.609 -7.693 363 HB3 ARG 47 HB3 ARG 47 -17.352 -0.540 -6.376 364 HG2 ARG 47 HG2 ARG 47 -19.083 -0.998 -7.931 365 HG3 ARG 47 HG3 ARG 47 -19.839 -0.224 -6.540 366 HD2 ARG 47 HD2 ARG 47 -20.748 0.660 -8.618 367 HD3 ARG 47 HD3 ARG 47 -19.862 1.910 -7.740 368 HE ARG 47 HE ARG 47 -18.220 0.558 -9.652 369 HH11 ARG 47 HH11 ARG 47 -20.658 3.060 -9.330 370 HH12 ARG 47 HH12 ARG 47 -20.132 3.922 -10.739 371 HH21 ARG 47 HH21 ARG 47 -17.537 1.694 -11.498 372 HH22 ARG 47 HH22 ARG 47 -18.360 3.143 -11.973 373 H LYS 48 H LYS 48 -16.050 3.081 -6.581 374 HA LYS 48 HA LYS 48 -13.730 2.194 -5.359 375 HB2 LYS 48 HB2 LYS 48 -13.776 3.891 -7.108 376 HB3 LYS 48 HB3 LYS 48 -14.603 5.007 -6.035 377 HG2 LYS 48 HG2 LYS 48 -12.587 4.935 -4.557 378 HG3 LYS 48 HG3 LYS 48 -11.782 4.005 -5.816 379 HD2 LYS 48 HD2 LYS 48 -11.175 6.333 -6.040 380 HD3 LYS 48 HD3 LYS 48 -12.190 5.865 -7.405 381 HE2 LYS 48 HE2 LYS 48 -14.143 6.844 -6.232 382 HE3 LYS 48 HE3 LYS 48 -13.063 7.387 -4.950 383 HZ1 LYS 48 HZ1 LYS 48 -13.436 9.187 -6.434 384 HZ2 LYS 48 HZ2 LYS 48 -13.054 8.248 -7.787 385 HZ3 LYS 48 HZ3 LYS 48 -11.847 8.665 -6.679 386 H GLN 49 H GLN 49 -16.332 4.154 -4.062 387 HA GLN 49 HA GLN 49 -14.973 5.206 -1.823 388 HB2 GLN 49 HB2 GLN 49 -17.921 4.708 -2.266 389 HB3 GLN 49 HB3 GLN 49 -17.253 5.674 -0.957 390 HG2 GLN 49 HG2 GLN 49 -16.665 6.316 -3.811 391 HG3 GLN 49 HG3 GLN 49 -18.146 6.873 -3.038 392 HE21 GLN 49 HE21 GLN 49 -17.569 9.018 -3.225 393 HE22 GLN 49 HE22 GLN 49 -16.327 9.737 -2.257 394 H ILE 50 H ILE 50 -16.986 2.325 -2.248 395 HA ILE 50 HA ILE 50 -17.039 1.547 0.452 396 HB ILE 50 HB ILE 50 -17.382 -0.003 -2.101 397 HG12 ILE 50 HG12 ILE 50 -19.700 -0.266 -0.735 398 HG13 ILE 50 HG13 ILE 50 -19.154 1.281 -0.101 399 HG21 ILE 50 HG21 ILE 50 -17.505 -1.079 0.705 400 HG22 ILE 50 HG22 ILE 50 -16.422 -1.588 -0.590 401 HG23 ILE 50 HG23 ILE 50 -18.150 -1.916 -0.706 402 HD11 ILE 50 HD11 ILE 50 -18.965 2.097 -2.452 403 HD12 ILE 50 HD12 ILE 50 -20.604 1.686 -1.947 404 HD13 ILE 50 HD13 ILE 50 -19.697 0.572 -2.979 405 H ILE 51 H ILE 51 -14.962 0.487 -2.220 406 HA ILE 51 HA ILE 51 -13.300 -1.251 -0.817 407 HB ILE 51 HB ILE 51 -12.515 0.554 -3.110 408 HG12 ILE 51 HG12 ILE 51 -13.578 -2.273 -3.179 409 HG13 ILE 51 HG13 ILE 51 -14.523 -0.837 -3.561 410 HG21 ILE 51 HG21 ILE 51 -10.803 -1.117 -3.585 411 HG22 ILE 51 HG22 ILE 51 -11.305 -2.035 -2.164 412 HG23 ILE 51 HG23 ILE 51 -10.599 -0.432 -1.971 413 HD11 ILE 51 HD11 ILE 51 -13.773 -1.946 -5.577 414 HD12 ILE 51 HD12 ILE 51 -12.095 -1.807 -5.050 415 HD13 ILE 51 HD13 ILE 51 -13.023 -0.356 -5.431 416 H HIS 52 H HIS 52 -13.123 2.225 -1.271 417 HA HIS 52 HA HIS 52 -10.528 2.569 -0.272 418 HB2 HIS 52 HB2 HIS 52 -12.742 4.302 -1.087 419 HB3 HIS 52 HB3 HIS 52 -11.710 5.001 0.159 420 HD1 HIS 52 HD1 HIS 52 -10.016 6.439 -0.896 421 HD2 HIS 52 HD2 HIS 52 -10.756 3.031 -3.175 422 HE1 HIS 52 HE1 HIS 52 -8.426 6.562 -2.832 423 HE2 HIS 52 HE2 HIS 52 -8.800 4.435 -4.126 424 H HIS 53 H HIS 53 -13.683 2.895 1.413 425 HA HIS 53 HA HIS 53 -12.459 3.764 3.835 426 HB2 HIS 53 HB2 HIS 53 -15.161 2.490 3.408 427 HB3 HIS 53 HB3 HIS 53 -14.620 3.210 4.920 428 HD1 HIS 53 HD1 HIS 53 -13.618 5.860 4.296 429 HD2 HIS 53 HD2 HIS 53 -16.787 4.188 2.175 430 HE1 HIS 53 HE1 HIS 53 -14.787 7.795 3.199 431 HE2 HIS 53 HE2 HIS 53 -16.498 6.739 1.709 432 H LEU 54 H LEU 54 -12.962 0.656 2.451 433 HA LEU 54 HA LEU 54 -12.882 -0.824 4.895 434 HB2 LEU 54 HB2 LEU 54 -12.606 -1.601 2.001 435 HB3 LEU 54 HB3 LEU 54 -12.443 -2.769 3.295 436 HG LEU 54 HG LEU 54 -14.916 -1.085 2.884 437 HD11 LEU 54 HD11 LEU 54 -14.502 -2.527 0.937 438 HD12 LEU 54 HD12 LEU 54 -15.920 -3.037 1.853 439 HD13 LEU 54 HD13 LEU 54 -14.404 -3.923 2.008 440 HD21 LEU 54 HD21 LEU 54 -14.460 -3.615 4.477 441 HD22 LEU 54 HD22 LEU 54 -15.962 -2.700 4.365 442 HD23 LEU 54 HD23 LEU 54 -14.557 -1.991 5.159 443 H VAL 55 H VAL 55 -10.556 -0.128 2.326 444 HA VAL 55 HA VAL 55 -8.416 -1.513 3.624 445 HB VAL 55 HB VAL 55 -6.988 -0.594 1.894 446 HG11 VAL 55 HG11 VAL 55 -8.200 -1.420 -0.083 447 HG12 VAL 55 HG12 VAL 55 -9.693 -1.417 0.857 448 HG13 VAL 55 HG13 VAL 55 -8.365 -2.489 1.309 449 HG21 VAL 55 HG21 VAL 55 -7.805 0.982 0.229 450 HG22 VAL 55 HG22 VAL 55 -7.886 1.694 1.841 451 HG23 VAL 55 HG23 VAL 55 -9.350 1.090 1.069 452 H GLN 56 H GLN 56 -9.752 1.647 3.750 453 HA GLN 56 HA GLN 56 -7.487 2.843 5.074 454 HB2 GLN 56 HB2 GLN 56 -10.210 3.749 4.246 455 HB3 GLN 56 HB3 GLN 56 -9.312 4.696 5.411 456 HG2 GLN 56 HG2 GLN 56 -7.465 4.905 3.809 457 HG3 GLN 56 HG3 GLN 56 -8.392 3.965 2.639 458 HE21 GLN 56 HE21 GLN 56 -10.215 4.868 1.702 459 HE22 GLN 56 HE22 GLN 56 -10.478 6.579 1.676 460 H MET 57 H MET 57 -10.222 1.010 5.976 461 HA MET 57 HA MET 57 -10.217 2.012 8.706 462 HB2 MET 57 HB2 MET 57 -12.334 1.462 7.481 463 HB3 MET 57 HB3 MET 57 -11.857 -0.227 7.514 464 HG2 MET 57 HG2 MET 57 -12.352 -0.469 9.714 465 HG3 MET 57 HG3 MET 57 -11.958 1.205 10.103 466 HE1 MET 57 HE1 MET 57 -14.191 0.367 7.056 467 HE2 MET 57 HE2 MET 57 -15.812 0.271 7.742 468 HE3 MET 57 HE3 MET 57 -14.632 -0.992 8.089 469 H GLY 58 H GLY 58 -8.258 0.073 7.061 470 HA2 GLY 58 HA2 GLY 58 -6.462 -1.114 7.892 471 HA3 GLY 58 HA3 GLY 58 -7.144 -0.951 9.500 472 H LEU 59 H LEU 59 -9.534 -2.207 7.587 473 HA LEU 59 HA LEU 59 -8.989 -4.881 8.583 474 HB2 LEU 59 HB2 LEU 59 -11.296 -5.392 7.872 475 HB3 LEU 59 HB3 LEU 59 -11.192 -4.073 9.019 476 HG LEU 59 HG LEU 59 -11.264 -2.589 6.848 477 HD11 LEU 59 HD11 LEU 59 -11.152 -4.508 5.307 478 HD12 LEU 59 HD12 LEU 59 -12.604 -3.534 5.086 479 HD13 LEU 59 HD13 LEU 59 -12.699 -5.076 5.935 480 HD21 LEU 59 HD21 LEU 59 -12.899 -2.509 8.620 481 HD22 LEU 59 HD22 LEU 59 -13.653 -3.989 8.030 482 HD23 LEU 59 HD23 LEU 59 -13.712 -2.520 7.056 483 H ALA 60 H ALA 60 -8.622 -3.088 5.767 484 HA ALA 60 HA ALA 60 -7.786 -5.527 4.364 485 HB1 ALA 60 HB1 ALA 60 -9.391 -3.293 3.122 486 HB2 ALA 60 HB2 ALA 60 -9.929 -4.950 3.390 487 HB3 ALA 60 HB3 ALA 60 -8.639 -4.618 2.234 488 H ASP 61 H ASP 61 -6.288 -4.936 2.478 489 HA ASP 61 HA ASP 61 -4.303 -3.134 3.568 490 HB2 ASP 61 HB2 ASP 61 -3.578 -5.291 2.701 491 HB3 ASP 61 HB3 ASP 61 -4.229 -4.899 1.115 492 H SER 62 H SER 62 -5.609 -3.479 0.255 493 HA SER 62 HA SER 62 -5.661 -0.590 -0.048 494 HB2 SER 62 HB2 SER 62 -3.849 -2.338 -1.729 495 HB3 SER 62 HB3 SER 62 -4.161 -0.627 -2.019 496 HG SER 62 HG SER 62 -2.706 -1.864 0.058 497 H VAL 63 H VAL 63 -6.368 -0.006 -2.337 498 HA VAL 63 HA VAL 63 -8.683 -1.352 -3.145 499 HB VAL 63 HB VAL 63 -6.851 0.542 -4.623 500 HG11 VAL 63 HG11 VAL 63 -9.484 -0.572 -5.587 501 HG12 VAL 63 HG12 VAL 63 -7.898 -0.836 -6.317 502 HG13 VAL 63 HG13 VAL 63 -8.618 0.775 -6.328 503 HG21 VAL 63 HG21 VAL 63 -8.098 1.479 -2.761 504 HG22 VAL 63 HG22 VAL 63 -9.605 0.874 -3.452 505 HG23 VAL 63 HG23 VAL 63 -8.686 2.121 -4.296 506 H LYS 64 H LYS 64 -5.356 -1.785 -3.889 507 HA LYS 64 HA LYS 64 -5.547 -3.341 -6.228 508 HB2 LYS 64 HB2 LYS 64 -3.373 -3.605 -4.179 509 HB3 LYS 64 HB3 LYS 64 -3.250 -3.746 -5.921 510 HG2 LYS 64 HG2 LYS 64 -3.475 -1.406 -6.228 511 HG3 LYS 64 HG3 LYS 64 -3.927 -1.163 -4.541 512 HD2 LYS 64 HD2 LYS 64 -1.706 -1.829 -3.826 513 HD3 LYS 64 HD3 LYS 64 -1.249 -2.169 -5.494 514 HE2 LYS 64 HE2 LYS 64 -0.346 -0.040 -4.922 515 HE3 LYS 64 HE3 LYS 64 -1.693 0.232 -6.023 516 HZ1 LYS 64 HZ1 LYS 64 -3.078 0.811 -4.136 517 HZ2 LYS 64 HZ2 LYS 64 -1.705 1.791 -4.177 518 HZ3 LYS 64 HZ3 LYS 64 -1.799 0.520 -3.069 519 H ASP 65 H ASP 65 -6.091 -4.063 -2.905 520 HA ASP 65 HA ASP 65 -5.657 -6.908 -3.124 521 HB2 ASP 65 HB2 ASP 65 -5.290 -5.709 -0.994 522 HB3 ASP 65 HB3 ASP 65 -6.997 -5.289 -0.941 523 H PHE 66 H PHE 66 -8.320 -4.669 -3.312 524 HA PHE 66 HA PHE 66 -10.348 -6.725 -3.584 525 HB2 PHE 66 HB2 PHE 66 -10.341 -3.729 -3.985 526 HB3 PHE 66 HB3 PHE 66 -11.754 -4.727 -4.297 527 HD1 PHE 66 HD1 PHE 66 -13.282 -4.951 -2.675 528 HD2 PHE 66 HD2 PHE 66 -9.291 -4.042 -1.582 529 HE1 PHE 66 HE1 PHE 66 -13.988 -4.763 -0.347 530 HE2 PHE 66 HE2 PHE 66 -9.978 -3.842 0.763 531 HZ PHE 66 HZ PHE 66 -12.330 -4.199 1.395 532 H GLN 67 H GLN 67 -8.681 -4.379 -5.542 533 HA GLN 67 HA GLN 67 -9.479 -5.745 -8.000 534 HB2 GLN 67 HB2 GLN 67 -9.972 -2.910 -7.166 535 HB3 GLN 67 HB3 GLN 67 -9.590 -3.231 -8.865 536 HG2 GLN 67 HG2 GLN 67 -11.481 -4.884 -8.870 537 HG3 GLN 67 HG3 GLN 67 -11.908 -4.289 -7.265 538 HE21 GLN 67 HE21 GLN 67 -13.908 -3.569 -8.007 539 HE22 GLN 67 HE22 GLN 67 -14.060 -2.138 -8.966 540 H ARG 68 H ARG 68 -7.289 -6.564 -7.921 541 HA ARG 68 HA ARG 68 -5.049 -4.869 -8.066 542 HB2 ARG 68 HB2 ARG 68 -3.891 -6.867 -9.056 543 HB3 ARG 68 HB3 ARG 68 -4.670 -7.145 -7.507 544 HG2 ARG 68 HG2 ARG 68 -6.617 -8.101 -8.797 545 HG3 ARG 68 HG3 ARG 68 -5.579 -8.046 -10.224 546 HD2 ARG 68 HD2 ARG 68 -3.919 -9.432 -9.012 547 HD3 ARG 68 HD3 ARG 68 -5.049 -9.552 -7.666 548 HE ARG 68 HE ARG 68 -5.628 -10.594 -10.364 549 HH11 ARG 68 HH11 ARG 68 -5.791 -10.877 -6.868 550 HH12 ARG 68 HH12 ARG 68 -6.562 -12.429 -6.909 551 HH21 ARG 68 HH21 ARG 68 -6.638 -12.646 -10.402 552 HH22 ARG 68 HH22 ARG 68 -7.045 -13.427 -8.903 553 H LYS 69 H LYS 69 -5.800 -3.242 -9.395 554 HA LYS 69 HA LYS 69 -5.732 -3.792 -12.285 555 HB2 LYS 69 HB2 LYS 69 -7.785 -2.733 -11.205 556 HB3 LYS 69 HB3 LYS 69 -6.788 -1.326 -10.889 557 HG2 LYS 69 HG2 LYS 69 -6.463 -0.973 -13.256 558 HG3 LYS 69 HG3 LYS 69 -7.361 -2.448 -13.621 559 HD2 LYS 69 HD2 LYS 69 -8.482 -0.024 -12.212 560 HD3 LYS 69 HD3 LYS 69 -8.745 -0.432 -13.906 561 HE2 LYS 69 HE2 LYS 69 -9.863 -2.497 -13.248 562 HE3 LYS 69 HE3 LYS 69 -9.564 -2.137 -11.552 563 HZ1 LYS 69 HZ1 LYS 69 -10.943 -0.157 -11.781 564 HZ2 LYS 69 HZ2 LYS 69 -11.811 -1.557 -12.159 565 HZ3 LYS 69 HZ3 LYS 69 -11.258 -0.546 -13.397 566 H GLY 70 H GLY 70 -4.557 -1.756 -9.690 567 HA2 GLY 70 HA2 GLY 70 -2.077 -1.362 -11.214 568 HA3 GLY 70 HA3 GLY 70 -2.805 -0.020 -10.330 569 H THR 71 H THR 71 -1.168 -3.093 -10.043 570 HA THR 71 HA THR 71 -1.611 -3.447 -7.271 571 HB THR 71 HB THR 71 0.494 -5.032 -7.638 572 HG1 THR 71 HG1 THR 71 -0.483 -5.133 -10.258 573 HG21 THR 71 HG21 THR 71 -2.241 -5.532 -8.819 574 HG22 THR 71 HG22 THR 71 -1.770 -5.783 -7.138 575 HG23 THR 71 HG23 THR 71 -1.056 -6.773 -8.412 576 H HIS 72 H HIS 72 0.148 -3.738 -5.705 577 HA HIS 72 HA HIS 72 1.839 -1.411 -5.515 578 HB2 HIS 72 HB2 HIS 72 2.246 -2.089 -3.307 579 HB3 HIS 72 HB3 HIS 72 0.639 -2.736 -3.594 580 HD1 HIS 72 HD1 HIS 72 0.624 -5.410 -4.239 581 HD2 HIS 72 HD2 HIS 72 4.079 -3.924 -2.491 582 HE1 HIS 72 HE1 HIS 72 1.942 -7.422 -3.532 583 HE2 HIS 72 HE2 HIS 72 3.850 -6.486 -2.187 584 H ILE 73 H ILE 73 2.112 -3.809 -7.483 585 HA ILE 73 HA ILE 73 4.504 -5.101 -6.582 586 HB ILE 73 HB ILE 73 2.405 -5.685 -8.495 587 HG12 ILE 73 HG12 ILE 73 2.722 -6.934 -6.440 588 HG13 ILE 73 HG13 ILE 73 2.941 -7.995 -7.826 589 HG21 ILE 73 HG21 ILE 73 3.861 -7.210 -9.869 590 HG22 ILE 73 HG22 ILE 73 5.237 -6.280 -9.262 591 HG23 ILE 73 HG23 ILE 73 3.987 -5.485 -10.216 592 HD11 ILE 73 HD11 ILE 73 5.404 -7.708 -7.559 593 HD12 ILE 73 HD12 ILE 73 4.606 -8.516 -6.210 594 HD13 ILE 73 HD13 ILE 73 5.084 -6.827 -6.063 595 H VAL 74 H VAL 74 6.387 -4.548 -6.997 596 HA VAL 74 HA VAL 74 7.445 -2.756 -8.810 597 HB VAL 74 HB VAL 74 8.919 -3.524 -7.157 598 HG11 VAL 74 HG11 VAL 74 9.403 -5.933 -6.768 599 HG12 VAL 74 HG12 VAL 74 8.156 -6.332 -7.950 600 HG13 VAL 74 HG13 VAL 74 7.721 -5.500 -6.460 601 HG21 VAL 74 HG21 VAL 74 9.712 -5.113 -9.597 602 HG22 VAL 74 HG22 VAL 74 10.781 -4.611 -8.288 603 HG23 VAL 74 HG23 VAL 74 10.048 -3.401 -9.340 604 H LEU 75 H LEU 75 7.864 -2.855 -10.986 605 HA LEU 75 HA LEU 75 6.505 -4.533 -12.668 606 HB2 LEU 75 HB2 LEU 75 7.953 -3.776 -14.466 607 HB3 LEU 75 HB3 LEU 75 7.528 -2.443 -13.413 608 HG LEU 75 HG LEU 75 10.090 -3.782 -12.789 609 HD11 LEU 75 HD11 LEU 75 10.133 -3.828 -15.220 610 HD12 LEU 75 HD12 LEU 75 11.278 -2.644 -14.590 611 HD13 LEU 75 HD13 LEU 75 9.740 -2.110 -15.269 612 HD21 LEU 75 HD21 LEU 75 9.414 -1.818 -11.555 613 HD22 LEU 75 HD22 LEU 75 9.201 -0.910 -13.050 614 HD23 LEU 75 HD23 LEU 75 10.811 -1.428 -12.553 615 H TRP 76 H TRP 76 6.579 -6.667 -12.709 616 HA TRP 76 HA TRP 76 9.148 -8.020 -12.326 617 HB2 TRP 76 HB2 TRP 76 6.300 -8.865 -11.910 618 HB3 TRP 76 HB3 TRP 76 7.556 -10.079 -12.136 619 HD1 TRP 76 HD1 TRP 76 5.873 -8.207 -9.493 620 HE1 TRP 76 HE1 TRP 76 7.161 -8.345 -7.274 621 HE3 TRP 76 HE3 TRP 76 10.299 -10.045 -11.245 622 HZ2 TRP 76 HZ2 TRP 76 9.716 -9.109 -6.386 623 HZ3 TRP 76 HZ3 TRP 76 12.117 -10.445 -9.639 624 HH2 TRP 76 HH2 TRP 76 11.829 -9.984 -7.264 625 H THR 77 H THR 77 10.156 -8.431 -14.147 626 HA THR 77 HA THR 77 8.663 -9.394 -16.470 627 HB THR 77 HB THR 77 10.824 -9.207 -17.658 628 HG1 THR 77 HG1 THR 77 12.620 -8.330 -16.507 629 HG21 THR 77 HG21 THR 77 11.071 -6.752 -17.536 630 HG22 THR 77 HG22 THR 77 10.114 -6.738 -16.053 631 HG23 THR 77 HG23 THR 77 9.373 -7.232 -17.576 632 H GLY 78 H GLY 78 9.305 -11.450 -17.441 633 HA2 GLY 78 HA2 GLY 78 9.435 -13.573 -15.657 634 HA3 GLY 78 HA3 GLY 78 9.854 -13.679 -17.361 635 H ASP 79 H ASP 79 12.029 -11.855 -17.254 636 HA ASP 79 HA ASP 79 14.150 -13.540 -16.434 637 HB2 ASP 79 HB2 ASP 79 14.454 -11.966 -18.251 638 HB3 ASP 79 HB3 ASP 79 14.103 -10.611 -17.185 639 H GLN 80 H GLN 80 12.859 -10.501 -15.083 640 HA GLN 80 HA GLN 80 14.670 -10.393 -12.914 641 HB2 GLN 80 HB2 GLN 80 13.361 -8.448 -13.772 642 HB3 GLN 80 HB3 GLN 80 11.914 -9.165 -13.079 643 HG2 GLN 80 HG2 GLN 80 12.925 -9.026 -10.852 644 HG3 GLN 80 HG3 GLN 80 14.347 -8.264 -11.557 645 HE21 GLN 80 HE21 GLN 80 11.010 -7.885 -10.711 646 HE22 GLN 80 HE22 GLN 80 10.929 -6.170 -10.919 647 H GLU 81 H GLU 81 11.529 -11.898 -13.340 648 HA GLU 81 HA GLU 81 11.015 -12.562 -10.647 649 HB2 GLU 81 HB2 GLU 81 10.208 -14.029 -13.172 650 HB3 GLU 81 HB3 GLU 81 9.524 -14.313 -11.575 651 HG2 GLU 81 HG2 GLU 81 8.661 -12.044 -11.523 652 HG3 GLU 81 HG3 GLU 81 9.379 -11.719 -13.097 653 H LEU 82 H LEU 82 12.795 -14.216 -13.203 654 HA LEU 82 HA LEU 82 13.464 -16.514 -11.698 655 HB2 LEU 82 HB2 LEU 82 13.674 -16.501 -14.109 656 HB3 LEU 82 HB3 LEU 82 14.863 -15.210 -14.032 657 HG LEU 82 HG LEU 82 16.333 -16.804 -12.730 658 HD11 LEU 82 HD11 LEU 82 14.610 -18.373 -12.039 659 HD12 LEU 82 HD12 LEU 82 15.870 -19.188 -12.968 660 HD13 LEU 82 HD13 LEU 82 14.321 -18.812 -13.724 661 HD21 LEU 82 HD21 LEU 82 17.110 -17.947 -14.727 662 HD22 LEU 82 HD22 LEU 82 16.708 -16.266 -15.071 663 HD23 LEU 82 HD23 LEU 82 15.600 -17.552 -15.551 664 H GLU 83 H GLU 83 15.080 -13.410 -12.213 665 HA GLU 83 HA GLU 83 17.429 -13.940 -10.805 666 HB2 GLU 83 HB2 GLU 83 15.925 -11.338 -11.122 667 HB3 GLU 83 HB3 GLU 83 17.550 -11.467 -10.460 668 HG2 GLU 83 HG2 GLU 83 16.667 -12.175 -13.244 669 HG3 GLU 83 HG3 GLU 83 17.701 -10.830 -12.756 670 H LEU 84 H LEU 84 14.258 -12.906 -9.680 671 HA LEU 84 HA LEU 84 14.938 -12.609 -6.955 672 HB2 LEU 84 HB2 LEU 84 12.830 -11.762 -7.760 673 HB3 LEU 84 HB3 LEU 84 12.331 -13.361 -8.278 674 HG LEU 84 HG LEU 84 12.287 -14.091 -5.911 675 HD11 LEU 84 HD11 LEU 84 13.933 -12.512 -5.033 676 HD12 LEU 84 HD12 LEU 84 12.418 -12.446 -4.134 677 HD13 LEU 84 HD13 LEU 84 12.803 -11.186 -5.306 678 HD21 LEU 84 HD21 LEU 84 10.235 -13.340 -6.953 679 HD22 LEU 84 HD22 LEU 84 10.615 -11.668 -6.545 680 HD23 LEU 84 HD23 LEU 84 10.280 -12.831 -5.265 681 H GLN 85 H GLN 85 13.630 -15.344 -8.793 682 HA GLN 85 HA GLN 85 13.364 -17.172 -6.725 683 HB2 GLN 85 HB2 GLN 85 12.689 -17.283 -9.247 684 HB3 GLN 85 HB3 GLN 85 14.263 -18.031 -9.457 685 HG2 GLN 85 HG2 GLN 85 12.184 -19.032 -7.552 686 HG3 GLN 85 HG3 GLN 85 12.330 -19.602 -9.204 687 HE21 GLN 85 HE21 GLN 85 15.237 -19.606 -9.202 688 HE22 GLN 85 HE22 GLN 85 15.733 -20.910 -8.174 689 H ARG 86 H ARG 86 16.123 -16.724 -8.934 690 HA ARG 86 HA ARG 86 17.657 -18.812 -7.825 691 HB2 ARG 86 HB2 ARG 86 18.590 -16.403 -9.386 692 HB3 ARG 86 HB3 ARG 86 19.522 -17.871 -9.108 693 HG2 ARG 86 HG2 ARG 86 17.606 -19.105 -10.241 694 HG3 ARG 86 HG3 ARG 86 17.045 -17.517 -10.763 695 HD2 ARG 86 HD2 ARG 86 19.778 -18.656 -11.330 696 HD3 ARG 86 HD3 ARG 86 18.425 -18.684 -12.456 697 HE ARG 86 HE ARG 86 18.621 -16.071 -11.995 698 HH11 ARG 86 HH11 ARG 86 21.095 -18.448 -12.656 699 HH12 ARG 86 HH12 ARG 86 22.162 -17.318 -13.422 700 HH21 ARG 86 HH21 ARG 86 19.991 -14.576 -13.043 701 HH22 ARG 86 HH22 ARG 86 21.536 -15.110 -13.648 702 H LEU 87 H LEU 87 17.613 -15.328 -7.133 703 HA LEU 87 HA LEU 87 19.786 -15.477 -5.274 704 HB2 LEU 87 HB2 LEU 87 18.113 -13.424 -6.377 705 HB3 LEU 87 HB3 LEU 87 18.178 -13.250 -4.632 706 HG LEU 87 HG LEU 87 20.649 -13.219 -4.747 707 HD11 LEU 87 HD11 LEU 87 20.190 -13.236 -7.724 708 HD12 LEU 87 HD12 LEU 87 20.983 -14.494 -6.776 709 HD13 LEU 87 HD13 LEU 87 21.728 -12.902 -6.929 710 HD21 LEU 87 HD21 LEU 87 19.372 -11.142 -4.732 711 HD22 LEU 87 HD22 LEU 87 19.290 -11.178 -6.492 712 HD23 LEU 87 HD23 LEU 87 20.845 -10.986 -5.686 713 H PHE 88 H PHE 88 16.328 -15.781 -5.087 714 HA PHE 88 HA PHE 88 15.971 -15.738 -2.327 715 HB2 PHE 88 HB2 PHE 88 14.011 -15.688 -3.568 716 HB3 PHE 88 HB3 PHE 88 14.534 -16.981 -4.638 717 HD1 PHE 88 HD1 PHE 88 13.537 -19.010 -4.428 718 HD2 PHE 88 HD2 PHE 88 13.691 -16.439 -1.042 719 HE1 PHE 88 HE1 PHE 88 12.204 -20.627 -3.145 720 HE2 PHE 88 HE2 PHE 88 12.361 -18.048 0.246 721 HZ PHE 88 HZ PHE 88 11.626 -20.153 -0.811 722 H GLU 89 H GLU 89 17.052 -18.346 -4.449 723 HA GLU 89 HA GLU 89 17.132 -20.275 -2.311 724 HB2 GLU 89 HB2 GLU 89 18.333 -20.337 -5.079 725 HB3 GLU 89 HB3 GLU 89 18.243 -21.709 -3.978 726 HG2 GLU 89 HG2 GLU 89 15.791 -21.513 -3.996 727 HG3 GLU 89 HG3 GLU 89 15.938 -20.207 -5.173 728 H GLU 90 H GLU 90 19.323 -18.085 -3.874 729 HA GLU 90 HA GLU 90 21.810 -18.904 -3.089 730 HB2 GLU 90 HB2 GLU 90 20.500 -16.305 -3.610 731 HB3 GLU 90 HB3 GLU 90 22.081 -16.244 -2.833 732 HG2 GLU 90 HG2 GLU 90 21.539 -17.734 -5.385 733 HG3 GLU 90 HG3 GLU 90 22.072 -16.055 -5.336 734 H PHE 91 H PHE 91 19.619 -16.823 -1.196 735 HA PHE 91 HA PHE 91 21.384 -17.220 1.130 736 HB2 PHE 91 HB2 PHE 91 19.386 -15.006 0.616 737 HB3 PHE 91 HB3 PHE 91 20.448 -15.132 2.013 738 HD1 PHE 91 HD1 PHE 91 22.928 -14.992 1.667 739 HD2 PHE 91 HD2 PHE 91 20.122 -14.039 -1.392 740 HE1 PHE 91 HE1 PHE 91 24.671 -13.756 0.456 741 HE2 PHE 91 HE2 PHE 91 21.867 -12.806 -2.608 742 HZ PHE 91 HZ PHE 91 24.145 -12.663 -1.686 743 H ARG 92 H ARG 92 19.050 -18.850 0.050 744 HA ARG 92 HA ARG 92 16.875 -18.587 1.837 745 HB2 ARG 92 HB2 ARG 92 16.618 -19.668 -0.304 746 HB3 ARG 92 HB3 ARG 92 17.807 -20.888 0.123 747 HG2 ARG 92 HG2 ARG 92 16.340 -21.917 1.655 748 HG3 ARG 92 HG3 ARG 92 15.223 -20.547 1.614 749 HD2 ARG 92 HD2 ARG 92 14.500 -21.059 -0.547 750 HD3 ARG 92 HD3 ARG 92 15.871 -22.119 -0.855 751 HE ARG 92 HE ARG 92 14.811 -23.826 0.297 752 HH11 ARG 92 HH11 ARG 92 12.957 -20.871 0.624 753 HH12 ARG 92 HH12 ARG 92 11.505 -21.689 1.092 754 HH21 ARG 92 HH21 ARG 92 12.913 -24.896 0.890 755 HH22 ARG 92 HH22 ARG 92 11.476 -23.987 1.240 756 H ASP 93 H ASP 93 19.917 -20.226 2.040 757 HA ASP 93 HA ASP 93 19.085 -21.809 4.331 758 HB2 ASP 93 HB2 ASP 93 20.635 -22.675 2.527 759 HB3 ASP 93 HB3 ASP 93 21.861 -21.585 3.164 760 H SER 94 H SER 94 19.576 -18.707 4.115 761 HA SER 94 HA SER 94 21.248 -18.467 6.524 762 HB2 SER 94 HB2 SER 94 20.203 -16.256 4.731 763 HB3 SER 94 HB3 SER 94 21.430 -16.113 5.991 764 HG SER 94 HG SER 94 22.367 -17.956 4.465 765 H ASP 95 H ASP 95 20.325 -16.514 7.974 766 HA ASP 95 HA ASP 95 17.741 -17.445 8.820 767 HB2 ASP 95 HB2 ASP 95 17.981 -16.095 10.746 768 HB3 ASP 95 HB3 ASP 95 19.597 -16.688 10.390 769 H ASP 96 H ASP 96 18.960 -14.775 6.971 770 HA ASP 96 HA ASP 96 16.190 -13.984 6.438 771 HB2 ASP 96 HB2 ASP 96 17.066 -12.303 7.976 772 HB3 ASP 96 HB3 ASP 96 18.473 -12.070 6.948 773 H VAL 97 H VAL 97 15.956 -14.664 4.419 774 HA VAL 97 HA VAL 97 18.105 -14.637 2.525 775 HB VAL 97 HB VAL 97 16.395 -16.401 2.480 776 HG11 VAL 97 HG11 VAL 97 14.431 -15.194 3.131 777 HG12 VAL 97 HG12 VAL 97 14.157 -15.910 1.541 778 HG13 VAL 97 HG13 VAL 97 14.518 -14.191 1.684 779 HG21 VAL 97 HG21 VAL 97 15.881 -16.343 0.051 780 HG22 VAL 97 HG22 VAL 97 17.577 -16.046 0.442 781 HG23 VAL 97 HG23 VAL 97 16.524 -14.699 0.004 782 H LEU 98 H LEU 98 15.309 -12.598 3.171 783 HA LEU 98 HA LEU 98 15.190 -11.475 0.574 784 HB2 LEU 98 HB2 LEU 98 13.713 -11.264 3.045 785 HB3 LEU 98 HB3 LEU 98 13.889 -9.702 2.265 786 HG LEU 98 HG LEU 98 12.961 -10.671 0.187 787 HD11 LEU 98 HD11 LEU 98 11.763 -12.829 0.352 788 HD12 LEU 98 HD12 LEU 98 12.538 -13.097 1.914 789 HD13 LEU 98 HD13 LEU 98 13.515 -12.981 0.451 790 HD21 LEU 98 HD21 LEU 98 11.493 -9.466 1.653 791 HD22 LEU 98 HD22 LEU 98 11.253 -10.898 2.651 792 HD23 LEU 98 HD23 LEU 98 10.641 -10.862 0.999 793 H GLY 99 H GLY 99 16.528 -10.235 3.639 794 HA2 GLY 99 HA2 GLY 99 17.078 -7.644 2.663 795 HA3 GLY 99 HA3 GLY 99 17.869 -8.413 4.036 796 H HIS 100 H HIS 100 18.745 -10.659 2.300 797 HA HIS 100 HA HIS 100 21.189 -9.372 1.429 798 HB2 HIS 100 HB2 HIS 100 20.375 -12.268 1.660 799 HB3 HIS 100 HB3 HIS 100 21.919 -11.759 0.984 800 HD1 HIS 100 HD1 HIS 100 23.773 -11.351 2.606 801 HD2 HIS 100 HD2 HIS 100 20.053 -11.486 4.458 802 HE1 HIS 100 HE1 HIS 100 24.243 -11.274 5.075 803 HE2 HIS 100 HE2 HIS 100 21.986 -11.476 6.174 804 H ILE 101 H ILE 101 18.346 -10.873 0.083 805 HA ILE 101 HA ILE 101 19.151 -10.981 -2.612 806 HB ILE 101 HB ILE 101 16.406 -10.381 -1.484 807 HG12 ILE 101 HG12 ILE 101 17.571 -12.983 -2.505 808 HG13 ILE 101 HG13 ILE 101 17.303 -12.583 -0.810 809 HG21 ILE 101 HG21 ILE 101 16.556 -9.619 -3.777 810 HG22 ILE 101 HG22 ILE 101 15.560 -11.073 -3.695 811 HG23 ILE 101 HG23 ILE 101 17.219 -11.173 -4.280 812 HD11 ILE 101 HD11 ILE 101 15.196 -12.891 -2.936 813 HD12 ILE 101 HD12 ILE 101 14.892 -12.392 -1.273 814 HD13 ILE 101 HD13 ILE 101 15.530 -14.000 -1.605 815 H MET 102 H MET 102 17.506 -8.450 -0.759 816 HA MET 102 HA MET 102 17.111 -6.662 -2.872 817 HB2 MET 102 HB2 MET 102 17.422 -5.989 0.059 818 HB3 MET 102 HB3 MET 102 16.622 -5.005 -1.163 819 HG2 MET 102 HG2 MET 102 14.805 -6.441 -1.311 820 HG3 MET 102 HG3 MET 102 15.675 -7.781 -0.583 821 HE1 MET 102 HE1 MET 102 13.754 -4.246 1.604 822 HE2 MET 102 HE2 MET 102 13.340 -4.798 -0.021 823 HE3 MET 102 HE3 MET 102 14.906 -4.040 0.280 824 H LYS 103 H LYS 103 19.846 -7.021 -0.668 825 HA LYS 103 HA LYS 103 21.082 -4.601 -1.660 826 HB2 LYS 103 HB2 LYS 103 21.804 -6.617 0.429 827 HB3 LYS 103 HB3 LYS 103 23.045 -5.545 -0.199 828 HG2 LYS 103 HG2 LYS 103 22.141 -4.623 1.824 829 HG3 LYS 103 HG3 LYS 103 21.669 -3.605 0.465 830 HD2 LYS 103 HD2 LYS 103 19.456 -4.588 0.460 831 HD3 LYS 103 HD3 LYS 103 19.921 -5.706 1.744 832 HE2 LYS 103 HE2 LYS 103 20.315 -3.791 3.237 833 HE3 LYS 103 HE3 LYS 103 19.793 -2.700 1.954 834 HZ1 LYS 103 HZ1 LYS 103 18.014 -3.152 3.524 835 HZ2 LYS 103 HZ2 LYS 103 18.120 -4.806 3.210 836 HZ3 LYS 103 HZ3 LYS 103 17.621 -3.746 1.992 837 H ASN 104 H ASN 104 21.026 -7.881 -2.583 838 HA ASN 104 HA ASN 104 23.589 -7.566 -4.004 839 HB2 ASN 104 HB2 ASN 104 22.169 -10.019 -2.995 840 HB3 ASN 104 HB3 ASN 104 23.418 -10.124 -4.231 841 HD21 ASN 104 HD21 ASN 104 24.798 -11.297 -2.940 842 HD22 ASN 104 HD22 ASN 104 25.635 -10.599 -1.595 843 H ILE 105 H ILE 105 20.547 -6.991 -4.706 844 HA ILE 105 HA ILE 105 20.697 -8.295 -7.342 845 HB ILE 105 HB ILE 105 18.739 -8.995 -6.066 846 HG12 ILE 105 HG12 ILE 105 16.991 -8.445 -7.759 847 HG13 ILE 105 HG13 ILE 105 18.106 -7.283 -8.466 848 HG21 ILE 105 HG21 ILE 105 17.940 -6.094 -6.118 849 HG22 ILE 105 HG22 ILE 105 18.374 -7.042 -4.695 850 HG23 ILE 105 HG23 ILE 105 16.907 -7.425 -5.595 851 HD11 ILE 105 HD11 ILE 105 19.676 -9.100 -8.944 852 HD12 ILE 105 HD12 ILE 105 18.110 -9.350 -9.716 853 HD13 ILE 105 HD13 ILE 105 18.530 -10.252 -8.261 854 H THR 106 H THR 106 19.994 -7.110 -9.160 855 HA THR 106 HA THR 106 21.199 -4.614 -9.367 856 HB THR 106 HB THR 106 20.895 -6.259 -11.191 857 HG1 THR 106 HG1 THR 106 20.390 -4.601 -12.803 858 HG21 THR 106 HG21 THR 106 18.560 -6.859 -10.828 859 HG22 THR 106 HG22 THR 106 18.802 -6.275 -12.475 860 HG23 THR 106 HG23 THR 106 18.060 -5.227 -11.268 861 H ALA 107 H ALA 107 17.839 -5.469 -8.751 862 HA ALA 107 HA ALA 107 17.165 -2.601 -8.760 863 HB1 ALA 107 HB1 ALA 107 14.834 -3.288 -9.005 864 HB2 ALA 107 HB2 ALA 107 15.330 -4.980 -8.996 865 HB3 ALA 107 HB3 ALA 107 15.826 -3.923 -10.318 866 H LYS 108 H LYS 108 16.765 -1.681 -6.837 867 HA LYS 108 HA LYS 108 16.708 -3.366 -4.488 868 HB2 LYS 108 HB2 LYS 108 17.036 -0.462 -5.018 869 HB3 LYS 108 HB3 LYS 108 16.347 -0.913 -3.465 870 HG2 LYS 108 HG2 LYS 108 18.817 -0.602 -3.454 871 HG3 LYS 108 HG3 LYS 108 18.275 -2.179 -2.882 872 HD2 LYS 108 HD2 LYS 108 18.736 -3.089 -5.157 873 HD3 LYS 108 HD3 LYS 108 19.425 -1.524 -5.593 874 HE2 LYS 108 HE2 LYS 108 20.383 -3.146 -3.250 875 HE3 LYS 108 HE3 LYS 108 21.065 -3.313 -4.870 876 HZ1 LYS 108 HZ1 LYS 108 22.361 -1.797 -3.514 877 HZ2 LYS 108 HZ2 LYS 108 21.010 -0.813 -3.266 878 HZ3 LYS 108 HZ3 LYS 108 21.664 -0.973 -4.817 879 H ARG 109 H ARG 109 14.877 -4.382 -4.186 880 HA ARG 109 HA ARG 109 12.341 -3.032 -4.737 881 HB2 ARG 109 HB2 ARG 109 12.781 -5.931 -4.013 882 HB3 ARG 109 HB3 ARG 109 11.337 -5.213 -4.716 883 HG2 ARG 109 HG2 ARG 109 12.464 -4.828 -6.793 884 HG3 ARG 109 HG3 ARG 109 14.008 -5.337 -6.102 885 HD2 ARG 109 HD2 ARG 109 12.877 -7.567 -5.633 886 HD3 ARG 109 HD3 ARG 109 11.582 -7.011 -6.689 887 HE ARG 109 HE ARG 109 13.357 -6.776 -8.436 888 HH11 ARG 109 HH11 ARG 109 13.724 -9.041 -5.792 889 HH12 ARG 109 HH12 ARG 109 14.769 -10.102 -6.669 890 HH21 ARG 109 HH21 ARG 109 14.742 -8.174 -9.607 891 HH22 ARG 109 HH22 ARG 109 15.344 -9.613 -8.854 892 H SER 110 H SER 110 10.546 -3.820 -3.147 893 HA SER 110 HA SER 110 11.515 -3.284 -0.440 894 HB2 SER 110 HB2 SER 110 9.809 -1.725 -1.265 895 HB3 SER 110 HB3 SER 110 8.715 -3.069 -1.583 896 HG SER 110 HG SER 110 9.652 -2.134 0.933 897 H ARG 111 H ARG 111 10.595 -4.452 1.330 898 HA ARG 111 HA ARG 111 10.838 -7.217 1.052 899 HB2 ARG 111 HB2 ARG 111 9.676 -5.505 3.239 900 HB3 ARG 111 HB3 ARG 111 9.814 -7.252 3.381 901 HG2 ARG 111 HG2 ARG 111 12.148 -5.432 2.837 902 HG3 ARG 111 HG3 ARG 111 11.662 -5.955 4.450 903 HD2 ARG 111 HD2 ARG 111 11.919 -8.301 3.720 904 HD3 ARG 111 HD3 ARG 111 12.495 -7.722 2.160 905 HE ARG 111 HE ARG 111 14.486 -7.028 3.155 906 HH11 ARG 111 HH11 ARG 111 12.275 -8.372 5.516 907 HH12 ARG 111 HH12 ARG 111 13.518 -8.722 6.673 908 HH21 ARG 111 HH21 ARG 111 16.122 -7.458 4.707 909 HH22 ARG 111 HH22 ARG 111 15.706 -8.218 6.206 910 H ALA 112 H ALA 112 7.886 -5.271 1.531 911 HA ALA 112 HA ALA 112 6.140 -7.479 1.648 912 HB1 ALA 112 HB1 ALA 112 4.350 -5.899 1.513 913 HB2 ALA 112 HB2 ALA 112 5.421 -4.671 0.844 914 HB3 ALA 112 HB3 ALA 112 5.630 -5.209 2.509 915 H ARG 113 H ARG 113 7.622 -5.918 -1.031 916 HA ARG 113 HA ARG 113 5.669 -6.876 -2.951 917 HB2 ARG 113 HB2 ARG 113 8.430 -5.737 -3.389 918 HB3 ARG 113 HB3 ARG 113 7.253 -6.083 -4.646 919 HG2 ARG 113 HG2 ARG 113 5.756 -4.414 -3.702 920 HG3 ARG 113 HG3 ARG 113 6.946 -4.064 -2.444 921 HD2 ARG 113 HD2 ARG 113 8.580 -3.580 -4.286 922 HD3 ARG 113 HD3 ARG 113 7.220 -3.666 -5.407 923 HE ARG 113 HE ARG 113 6.325 -1.903 -3.582 924 HH11 ARG 113 HH11 ARG 113 9.294 -2.052 -5.428 925 HH12 ARG 113 HH12 ARG 113 9.503 -0.336 -5.471 926 HH21 ARG 113 HH21 ARG 113 6.573 0.356 -3.677 927 HH22 ARG 113 HH22 ARG 113 7.962 1.033 -4.470 928 H ILE 114 H ILE 114 8.785 -7.778 -1.668 929 HA ILE 114 HA ILE 114 9.339 -9.722 -3.650 930 HB ILE 114 HB ILE 114 10.517 -9.282 -0.907 931 HG12 ILE 114 HG12 ILE 114 11.600 -8.773 -3.687 932 HG13 ILE 114 HG13 ILE 114 10.957 -7.545 -2.604 933 HG21 ILE 114 HG21 ILE 114 12.323 -10.821 -1.645 934 HG22 ILE 114 HG22 ILE 114 11.322 -11.264 -3.026 935 HG23 ILE 114 HG23 ILE 114 10.767 -11.615 -1.387 936 HD11 ILE 114 HD11 ILE 114 12.758 -7.976 -1.024 937 HD12 ILE 114 HD12 ILE 114 13.394 -7.566 -2.618 938 HD13 ILE 114 HD13 ILE 114 13.386 -9.244 -2.080 939 H VAL 115 H VAL 115 8.182 -9.910 -0.283 940 HA VAL 115 HA VAL 115 7.892 -12.715 -0.248 941 HB VAL 115 HB VAL 115 6.434 -12.412 1.707 942 HG11 VAL 115 HG11 VAL 115 8.073 -11.455 3.177 943 HG12 VAL 115 HG12 VAL 115 8.846 -10.626 1.825 944 HG13 VAL 115 HG13 VAL 115 8.887 -12.387 1.922 945 HG21 VAL 115 HG21 VAL 115 5.272 -10.364 1.001 946 HG22 VAL 115 HG22 VAL 115 6.765 -9.454 1.240 947 HG23 VAL 115 HG23 VAL 115 5.964 -10.214 2.616 948 H ASP 116 H ASP 116 5.681 -10.112 -1.127 949 HA ASP 116 HA ASP 116 3.358 -11.610 -1.485 950 HB2 ASP 116 HB2 ASP 116 3.343 -9.194 -1.506 951 HB3 ASP 116 HB3 ASP 116 4.364 -9.156 -2.940 952 H LYS 117 H LYS 117 6.017 -10.924 -3.709 953 HA LYS 117 HA LYS 117 4.897 -12.279 -5.921 954 HB2 LYS 117 HB2 LYS 117 6.753 -10.581 -6.017 955 HB3 LYS 117 HB3 LYS 117 7.832 -11.816 -5.383 956 HG2 LYS 117 HG2 LYS 117 8.115 -11.740 -7.739 957 HG3 LYS 117 HG3 LYS 117 7.257 -13.234 -7.352 958 HD2 LYS 117 HD2 LYS 117 5.124 -12.102 -7.921 959 HD3 LYS 117 HD3 LYS 117 6.045 -10.668 -8.395 960 HE2 LYS 117 HE2 LYS 117 7.217 -12.003 -10.080 961 HE3 LYS 117 HE3 LYS 117 6.271 -13.415 -9.621 962 HZ1 LYS 117 HZ1 LYS 117 5.087 -10.896 -10.655 963 HZ2 LYS 117 HZ2 LYS 117 4.288 -12.362 -10.389 964 HZ3 LYS 117 HZ3 LYS 117 5.448 -12.239 -11.620 965 H LEU 118 H LEU 118 7.111 -13.291 -3.341 966 HA LEU 118 HA LEU 118 7.771 -15.834 -4.288 967 HB2 LEU 118 HB2 LEU 118 7.852 -14.445 -1.738 968 HB3 LEU 118 HB3 LEU 118 7.512 -16.156 -1.547 969 HG LEU 118 HG LEU 118 9.560 -16.629 -2.919 970 HD11 LEU 118 HD11 LEU 118 10.068 -13.695 -2.479 971 HD12 LEU 118 HD12 LEU 118 9.744 -14.468 -4.029 972 HD13 LEU 118 HD13 LEU 118 11.216 -14.860 -3.140 973 HD21 LEU 118 HD21 LEU 118 11.098 -16.162 -1.061 974 HD22 LEU 118 HD22 LEU 118 9.565 -16.850 -0.522 975 HD23 LEU 118 HD23 LEU 118 9.871 -15.121 -0.338 976 H LEU 119 H LEU 119 5.059 -14.832 -2.242 977 HA LEU 119 HA LEU 119 3.972 -17.436 -1.923 978 HB2 LEU 119 HB2 LEU 119 2.966 -14.652 -1.483 979 HB3 LEU 119 HB3 LEU 119 1.846 -15.997 -1.399 980 HG LEU 119 HG LEU 119 2.640 -15.335 0.833 981 HD11 LEU 119 HD11 LEU 119 3.610 -18.052 -0.035 982 HD12 LEU 119 HD12 LEU 119 1.964 -17.635 0.438 983 HD13 LEU 119 HD13 LEU 119 3.268 -17.554 1.621 984 HD21 LEU 119 HD21 LEU 119 5.366 -16.168 -0.164 985 HD22 LEU 119 HD22 LEU 119 4.957 -15.811 1.515 986 HD23 LEU 119 HD23 LEU 119 4.869 -14.539 0.293 987 H ALA 120 H ALA 120 3.741 -15.028 -4.361 988 HA ALA 120 HA ALA 120 1.376 -16.120 -5.593 989 HB1 ALA 120 HB1 ALA 120 3.322 -14.110 -6.707 990 HB2 ALA 120 HB2 ALA 120 1.981 -13.708 -5.633 991 HB3 ALA 120 HB3 ALA 120 1.659 -14.395 -7.230 992 H LEU 121 H LEU 121 4.862 -16.167 -6.143 993 HA LEU 121 HA LEU 121 4.796 -17.775 -8.490 994 HB2 LEU 121 HB2 LEU 121 6.950 -17.402 -6.413 995 HB3 LEU 121 HB3 LEU 121 7.172 -18.257 -7.926 996 HG LEU 121 HG LEU 121 6.455 -15.336 -7.703 997 HD11 LEU 121 HD11 LEU 121 8.775 -14.926 -8.333 998 HD12 LEU 121 HD12 LEU 121 9.100 -16.659 -8.281 999 HD13 LEU 121 HD13 LEU 121 8.674 -15.797 -6.802 1000 HD21 LEU 121 HD21 LEU 121 5.697 -16.314 -9.783 1001 HD22 LEU 121 HD22 LEU 121 7.278 -17.047 -10.047 1002 HD23 LEU 121 HD23 LEU 121 7.102 -15.295 -10.083 1003 H GLY 122 H GLY 122 4.433 -18.411 -5.136 1004 HA2 GLY 122 HA2 GLY 122 3.914 -20.369 -4.043 1005 HA3 GLY 122 HA3 GLY 122 4.008 -21.219 -5.585 1006 H LEU 123 H LEU 123 6.519 -19.186 -4.237 1007 HA LEU 123 HA LEU 123 8.431 -21.339 -4.372 1008 HB2 LEU 123 HB2 LEU 123 8.632 -18.484 -3.411 1009 HB3 LEU 123 HB3 LEU 123 9.989 -19.598 -3.433 1010 HG LEU 123 HG LEU 123 8.451 -18.614 -5.839 1011 HD11 LEU 123 HD11 LEU 123 9.906 -16.919 -4.887 1012 HD12 LEU 123 HD12 LEU 123 10.550 -17.503 -6.421 1013 HD13 LEU 123 HD13 LEU 123 11.259 -18.050 -4.900 1014 HD21 LEU 123 HD21 LEU 123 10.182 -19.790 -7.143 1015 HD22 LEU 123 HD22 LEU 123 9.172 -20.888 -6.204 1016 HD23 LEU 123 HD23 LEU 123 10.800 -20.495 -5.649 1017 H VAL 124 H VAL 124 6.389 -19.872 -2.086 1018 HA VAL 124 HA VAL 124 7.220 -21.744 -0.010 1019 HB VAL 124 HB VAL 124 7.062 -19.934 1.713 1020 HG11 VAL 124 HG11 VAL 124 9.323 -19.055 1.326 1021 HG12 VAL 124 HG12 VAL 124 9.260 -19.646 -0.333 1022 HG13 VAL 124 HG13 VAL 124 9.226 -20.787 1.012 1023 HG21 VAL 124 HG21 VAL 124 5.834 -18.318 0.312 1024 HG22 VAL 124 HG22 VAL 124 7.282 -18.093 -0.670 1025 HG23 VAL 124 HG23 VAL 124 7.284 -17.620 1.029 1026 H ALA 125 H ALA 125 5.602 -21.434 1.908 1027 HA ALA 125 HA ALA 125 2.905 -21.033 0.768 1028 HB1 ALA 125 HB1 ALA 125 3.290 -23.351 1.347 1029 HB2 ALA 125 HB2 ALA 125 2.122 -22.644 2.465 1030 HB3 ALA 125 HB3 ALA 125 3.793 -22.890 2.972 1031 H GLU 126 H GLU 126 5.191 -20.072 3.097 1032 HA GLU 126 HA GLU 126 3.312 -18.136 4.190 1033 HB2 GLU 126 HB2 GLU 126 3.965 -18.643 6.504 1034 HB3 GLU 126 HB3 GLU 126 3.177 -20.021 5.743 1035 HG2 GLU 126 HG2 GLU 126 5.413 -20.978 5.288 1036 HG3 GLU 126 HG3 GLU 126 6.127 -19.648 6.193 1037 H ARG 127 H ARG 127 4.562 -16.559 5.662 1038 HA ARG 127 HA ARG 127 6.884 -15.700 4.204 1039 HB2 ARG 127 HB2 ARG 127 5.265 -14.546 6.428 1040 HB3 ARG 127 HB3 ARG 127 6.875 -13.906 6.131 1041 HG2 ARG 127 HG2 ARG 127 5.472 -12.517 4.903 1042 HG3 ARG 127 HG3 ARG 127 6.135 -13.627 3.709 1043 HD2 ARG 127 HD2 ARG 127 3.894 -13.586 3.151 1044 HD3 ARG 127 HD3 ARG 127 3.990 -15.012 4.182 1045 HE ARG 127 HE ARG 127 3.383 -12.934 5.881 1046 HH11 ARG 127 HH11 ARG 127 1.918 -14.389 3.055 1047 HH12 ARG 127 HH12 ARG 127 0.308 -13.918 3.484 1048 HH21 ARG 127 HH21 ARG 127 1.251 -12.300 6.451 1049 HH22 ARG 127 HH22 ARG 127 -0.074 -12.738 5.415 1050 H ARG 128 H ARG 128 6.385 -17.605 6.996 1051 HA ARG 128 HA ARG 128 8.670 -17.014 8.506 1052 HB2 ARG 128 HB2 ARG 128 6.862 -18.339 9.417 1053 HB3 ARG 128 HB3 ARG 128 7.133 -19.597 8.219 1054 HG2 ARG 128 HG2 ARG 128 9.440 -19.880 9.233 1055 HG3 ARG 128 HG3 ARG 128 8.867 -18.858 10.557 1056 HD2 ARG 128 HD2 ARG 128 7.868 -21.563 9.710 1057 HD3 ARG 128 HD3 ARG 128 8.521 -21.074 11.273 1058 HE ARG 128 HE ARG 128 5.884 -20.268 10.214 1059 HH11 ARG 128 HH11 ARG 128 8.014 -20.991 12.917 1060 HH12 ARG 128 HH12 ARG 128 6.782 -20.752 14.110 1061 HH21 ARG 128 HH21 ARG 128 4.273 -19.942 11.792 1062 HH22 ARG 128 HH22 ARG 128 4.654 -20.143 13.473 1063 H GLU 129 H GLU 129 8.194 -19.251 5.840 1064 HA GLU 129 HA GLU 129 10.428 -20.877 6.246 1065 HB2 GLU 129 HB2 GLU 129 9.005 -20.245 3.668 1066 HB3 GLU 129 HB3 GLU 129 10.021 -21.645 3.969 1067 HG2 GLU 129 HG2 GLU 129 8.487 -22.434 5.657 1068 HG3 GLU 129 HG3 GLU 129 7.508 -20.980 5.453 1069 H LEU 130 H LEU 130 10.180 -17.785 4.699 1070 HA LEU 130 HA LEU 130 12.603 -18.198 3.193 1071 HB2 LEU 130 HB2 LEU 130 12.075 -15.571 2.835 1072 HB3 LEU 130 HB3 LEU 130 11.416 -16.859 1.848 1073 HG LEU 130 HG LEU 130 9.909 -15.931 4.271 1074 HD11 LEU 130 HD11 LEU 130 8.734 -14.315 2.844 1075 HD12 LEU 130 HD12 LEU 130 9.889 -14.633 1.551 1076 HD13 LEU 130 HD13 LEU 130 10.432 -13.897 3.057 1077 HD21 LEU 130 HD21 LEU 130 9.170 -17.955 3.100 1078 HD22 LEU 130 HD22 LEU 130 9.088 -17.047 1.588 1079 HD23 LEU 130 HD23 LEU 130 7.996 -16.649 2.913 1080 H TYR 131 H TYR 131 11.577 -16.374 6.054 1081 HA TYR 131 HA TYR 131 14.353 -16.039 6.771 1082 HB2 TYR 131 HB2 TYR 131 14.350 -13.582 6.809 1083 HB3 TYR 131 HB3 TYR 131 14.186 -14.221 5.183 1084 HD1 TYR 131 HD1 TYR 131 11.028 -14.666 6.551 1085 HD2 TYR 131 HD2 TYR 131 13.618 -11.557 5.249 1086 HE1 TYR 131 HE1 TYR 131 9.089 -13.203 6.211 1087 HE2 TYR 131 HE2 TYR 131 11.684 -10.088 4.906 1088 HH TYR 131 HH TYR 131 8.567 -10.845 6.080 1089 H LYS 132 H LYS 132 12.023 -17.154 8.049 1090 HA LYS 132 HA LYS 132 12.605 -15.771 10.556 1091 HB2 LYS 132 HB2 LYS 132 10.254 -15.266 9.893 1092 HB3 LYS 132 HB3 LYS 132 9.914 -16.989 9.921 1093 HG2 LYS 132 HG2 LYS 132 9.175 -15.792 11.954 1094 HG3 LYS 132 HG3 LYS 132 10.309 -17.102 12.274 1095 HD2 LYS 132 HD2 LYS 132 10.810 -15.107 13.613 1096 HD3 LYS 132 HD3 LYS 132 12.125 -15.505 12.510 1097 HE2 LYS 132 HE2 LYS 132 11.365 -13.775 10.967 1098 HE3 LYS 132 HE3 LYS 132 10.014 -13.399 12.035 1099 HZ1 LYS 132 HZ1 LYS 132 11.583 -12.715 13.731 1100 HZ2 LYS 132 HZ2 LYS 132 11.855 -11.847 12.305 1101 HZ3 LYS 132 HZ3 LYS 132 12.887 -13.116 12.731 1102 H LYS 133 H LYS 133 14.327 -17.411 10.432 1103 HA LYS 133 HA LYS 133 13.545 -20.156 10.529 1104 HB2 LYS 133 HB2 LYS 133 16.167 -18.743 10.779 1105 HB3 LYS 133 HB3 LYS 133 16.032 -20.428 11.275 1106 HG2 LYS 133 HG2 LYS 133 16.830 -20.318 9.010 1107 HG3 LYS 133 HG3 LYS 133 15.206 -20.997 9.023 1108 HD2 LYS 133 HD2 LYS 133 14.382 -18.650 8.501 1109 HD3 LYS 133 HD3 LYS 133 16.067 -18.240 8.183 1110 HE2 LYS 133 HE2 LYS 133 14.370 -20.280 6.755 1111 HE3 LYS 133 HE3 LYS 133 15.042 -18.790 6.096 1112 HZ1 LYS 133 HZ1 LYS 133 16.335 -20.672 5.380 1113 HZ2 LYS 133 HZ2 LYS 133 16.580 -21.174 6.975 1114 HZ3 LYS 133 HZ3 LYS 133 17.269 -19.722 6.429 1115 H ARG 134 H ARG 134 12.030 -19.876 12.204 1116 HA ARG 134 HA ARG 134 13.289 -20.542 14.765 1117 HB2 ARG 134 HB2 ARG 134 10.733 -18.976 14.330 1118 HB3 ARG 134 HB3 ARG 134 11.266 -19.596 15.888 1119 HG2 ARG 134 HG2 ARG 134 13.016 -17.800 14.273 1120 HG3 ARG 134 HG3 ARG 134 11.739 -17.142 15.300 1121 HD2 ARG 134 HD2 ARG 134 13.922 -18.992 16.250 1122 HD3 ARG 134 HD3 ARG 134 13.976 -17.235 16.389 1123 HE ARG 134 HE ARG 134 11.769 -18.749 17.611 1124 HH11 ARG 134 HH11 ARG 134 14.563 -16.671 17.949 1125 HH12 ARG 134 HH12 ARG 134 14.196 -16.235 19.588 1126 HH21 ARG 134 HH21 ARG 134 11.282 -18.177 19.758 1127 HH22 ARG 134 HH22 ARG 134 12.325 -17.083 20.614 1128 H GLN 135 H GLN 135 13.238 -22.608 13.863 1129 HA GLN 135 HA GLN 135 10.569 -23.855 13.801 1130 HB2 GLN 135 HB2 GLN 135 13.092 -24.626 12.317 1131 HB3 GLN 135 HB3 GLN 135 11.648 -25.628 12.382 1132 HG2 GLN 135 HG2 GLN 135 11.678 -22.826 11.284 1133 HG3 GLN 135 HG3 GLN 135 11.939 -24.266 10.299 1134 HE21 GLN 135 HE21 GLN 135 10.123 -23.969 9.053 1135 HE22 GLN 135 HE22 GLN 135 8.514 -24.167 9.673 1136 H LYS 136 H LYS 136 10.350 -24.668 15.833 1137 HA LYS 136 HA LYS 136 12.589 -26.167 16.948 1138 HB2 LYS 136 HB2 LYS 136 9.882 -25.463 18.102 1139 HB3 LYS 136 HB3 LYS 136 11.121 -26.377 18.960 1140 HG2 LYS 136 HG2 LYS 136 12.662 -24.476 18.725 1141 HG3 LYS 136 HG3 LYS 136 11.390 -23.562 17.920 1142 HD2 LYS 136 HD2 LYS 136 10.029 -23.663 19.934 1143 HD3 LYS 136 HD3 LYS 136 11.277 -24.616 20.742 1144 HE2 LYS 136 HE2 LYS 136 12.860 -22.752 20.426 1145 HE3 LYS 136 HE3 LYS 136 11.571 -21.801 19.692 1146 HZ1 LYS 136 HZ1 LYS 136 10.353 -21.939 21.786 1147 HZ2 LYS 136 HZ2 LYS 136 11.864 -21.215 22.000 1148 HZ3 LYS 136 HZ3 LYS 136 11.619 -22.816 22.483 1149 H LYS 137 H LYS 137 11.839 -27.114 14.699 1150 HA LYS 137 HA LYS 137 11.100 -29.823 15.337 1151 HB2 LYS 137 HB2 LYS 137 8.969 -28.584 14.611 1152 HB3 LYS 137 HB3 LYS 137 9.727 -28.400 13.038 1153 HG2 LYS 137 HG2 LYS 137 9.368 -31.103 14.278 1154 HG3 LYS 137 HG3 LYS 137 8.070 -30.318 13.384 1155 HD2 LYS 137 HD2 LYS 137 9.348 -30.282 11.389 1156 HD3 LYS 137 HD3 LYS 137 10.822 -30.736 12.245 1157 HE2 LYS 137 HE2 LYS 137 9.867 -32.914 12.758 1158 HE3 LYS 137 HE3 LYS 137 8.373 -32.465 11.939 1159 HZ1 LYS 137 HZ1 LYS 137 9.831 -33.834 10.554 1160 HZ2 LYS 137 HZ2 LYS 137 11.038 -32.656 10.639 1161 HZ3 LYS 137 HZ3 LYS 137 9.573 -32.311 9.871 1162 H LEU 138 H LEU 138 12.289 -31.227 13.970 1163 HA LEU 138 HA LEU 138 14.440 -30.026 12.535 1164 HB2 LEU 138 HB2 LEU 138 13.527 -32.872 12.848 1165 HB3 LEU 138 HB3 LEU 138 14.853 -32.448 11.785 1166 HG LEU 138 HG LEU 138 15.987 -31.405 13.801 1167 HD11 LEU 138 HD11 LEU 138 13.879 -32.953 15.292 1168 HD12 LEU 138 HD12 LEU 138 14.032 -31.196 15.237 1169 HD13 LEU 138 HD13 LEU 138 15.291 -32.168 16.001 1170 HD21 LEU 138 HD21 LEU 138 16.766 -33.569 14.658 1171 HD22 LEU 138 HD22 LEU 138 16.698 -33.530 12.897 1172 HD23 LEU 138 HD23 LEU 138 15.442 -34.368 13.809 1173 H ALA 139 H ALA 139 13.633 -28.778 10.914 1174 HA ALA 139 HA ALA 139 12.263 -30.190 8.716 1175 HB1 ALA 139 HB1 ALA 139 10.970 -28.201 8.260 1176 HB2 ALA 139 HB2 ALA 139 11.803 -27.321 9.541 1177 HB3 ALA 139 HB3 ALA 139 10.736 -28.670 9.945 1178 H SER 140 H SER 140 12.353 -28.574 6.685 1179 HA SER 140 HA SER 140 15.124 -27.602 6.491 1180 HB2 SER 140 HB2 SER 140 14.559 -29.468 4.922 1181 HB3 SER 140 HB3 SER 140 13.305 -28.452 4.219 1182 HG SER 140 HG SER 140 15.103 -26.911 3.826 1183 H SER 141 H SER 141 14.517 -25.611 7.440 1184 HA SER 141 HA SER 141 13.090 -23.842 5.580 1185 HB2 SER 141 HB2 SER 141 13.083 -23.736 8.614 1186 HB3 SER 141 HB3 SER 141 12.335 -22.531 7.561 1187 HG SER 141 HG SER 141 11.446 -24.899 6.799 Start of MODEL 18 1 H1 ASP 1 HT1 ASP 1 -29.836 11.684 -10.266 2 H2 ASP 1 HT2 ASP 1 -29.603 10.606 -8.989 3 H3 ASP 1 HT3 ASP 1 -28.272 11.314 -9.751 4 HA ASP 1 HA ASP 1 -28.895 13.472 -8.987 5 HB2 ASP 1 HB2 ASP 1 -31.258 11.996 -7.872 6 HB3 ASP 1 HB3 ASP 1 -30.726 13.516 -7.164 7 HA PRO 2 HA PRO 2 -27.892 12.050 -4.593 8 HB2 PRO 2 HB2 PRO 2 -28.313 9.553 -3.723 9 HB3 PRO 2 HB3 PRO 2 -29.607 10.756 -3.767 10 HG2 PRO 2 HG2 PRO 2 -29.006 8.548 -5.705 11 HG3 PRO 2 HG3 PRO 2 -30.569 9.052 -5.034 12 HD2 PRO 2 HD2 PRO 2 -29.691 9.798 -7.499 13 HD3 PRO 2 HD3 PRO 2 -30.786 10.784 -6.516 14 H SER 3 H SER 3 -26.962 10.328 -7.316 15 HA SER 3 HA SER 3 -24.646 9.051 -6.147 16 HB2 SER 3 HB2 SER 3 -24.141 8.715 -8.687 17 HB3 SER 3 HB3 SER 3 -25.461 7.816 -7.942 18 HG SER 3 HG SER 3 -26.474 8.653 -9.621 19 H ARG 4 H ARG 4 -25.086 11.904 -5.948 20 HA ARG 4 HA ARG 4 -22.900 13.174 -7.377 21 HB2 ARG 4 HB2 ARG 4 -23.634 15.186 -6.141 22 HB3 ARG 4 HB3 ARG 4 -24.979 14.425 -6.982 23 HG2 ARG 4 HG2 ARG 4 -25.541 13.280 -4.805 24 HG3 ARG 4 HG3 ARG 4 -24.359 14.345 -4.045 25 HD2 ARG 4 HD2 ARG 4 -26.833 15.180 -5.548 26 HD3 ARG 4 HD3 ARG 4 -26.584 15.267 -3.805 27 HE ARG 4 HE ARG 4 -24.545 16.739 -4.882 28 HH11 ARG 4 HH11 ARG 4 -28.037 16.821 -5.078 29 HH12 ARG 4 HH12 ARG 4 -28.108 18.536 -5.319 30 HH21 ARG 4 HH21 ARG 4 -24.627 18.981 -5.218 31 HH22 ARG 4 HH22 ARG 4 -26.159 19.773 -5.399 32 H ARG 5 H ARG 5 -21.846 14.828 -5.330 33 HA ARG 5 HA ARG 5 -20.094 13.302 -3.834 34 HB2 ARG 5 HB2 ARG 5 -20.292 15.898 -4.027 35 HB3 ARG 5 HB3 ARG 5 -21.358 15.765 -2.638 36 HG2 ARG 5 HG2 ARG 5 -18.545 14.695 -2.678 37 HG3 ARG 5 HG3 ARG 5 -18.965 16.312 -2.120 38 HD2 ARG 5 HD2 ARG 5 -20.199 13.819 -0.968 39 HD3 ARG 5 HD3 ARG 5 -18.712 14.521 -0.339 40 HE ARG 5 HE ARG 5 -20.704 16.504 -0.468 41 HH11 ARG 5 HH11 ARG 5 -19.896 13.626 1.359 42 HH12 ARG 5 HH12 ARG 5 -20.644 14.188 2.819 43 HH21 ARG 5 HH21 ARG 5 -21.691 17.239 1.447 44 HH22 ARG 5 HH22 ARG 5 -21.681 16.237 2.862 45 H ALA 6 H ALA 6 -20.553 11.682 -2.524 46 HA ALA 6 HA ALA 6 -23.316 11.197 -1.938 47 HB1 ALA 6 HB1 ALA 6 -22.545 8.967 -1.350 48 HB2 ALA 6 HB2 ALA 6 -20.869 9.512 -1.445 49 HB3 ALA 6 HB3 ALA 6 -21.874 9.489 -2.894 50 HA PRO 7 HA PRO 7 -23.944 12.216 2.278 51 HB2 PRO 7 HB2 PRO 7 -24.565 9.563 3.123 52 HB3 PRO 7 HB3 PRO 7 -25.690 10.857 2.722 53 HG2 PRO 7 HG2 PRO 7 -24.738 8.598 1.061 54 HG3 PRO 7 HG3 PRO 7 -26.273 9.482 0.987 55 HD2 PRO 7 HD2 PRO 7 -24.389 9.824 -0.873 56 HD3 PRO 7 HD3 PRO 7 -25.365 11.194 -0.297 57 H THR 8 H THR 8 -22.637 12.455 3.950 58 HA THR 8 HA THR 8 -20.144 11.151 4.139 59 HB THR 8 HB THR 8 -21.580 12.675 6.325 60 HG1 THR 8 HG1 THR 8 -20.616 14.523 5.420 61 HG21 THR 8 HG21 THR 8 -18.641 12.254 5.768 62 HG22 THR 8 HG22 THR 8 -19.568 11.458 7.039 63 HG23 THR 8 HG23 THR 8 -19.320 13.203 7.090 64 H TRP 9 H TRP 9 -19.528 9.361 5.242 65 HA TRP 9 HA TRP 9 -21.529 7.497 5.977 66 HB2 TRP 9 HB2 TRP 9 -18.529 7.446 6.267 67 HB3 TRP 9 HB3 TRP 9 -19.563 6.103 6.730 68 HD1 TRP 9 HD1 TRP 9 -18.573 8.108 3.590 69 HE1 TRP 9 HE1 TRP 9 -18.817 6.561 1.554 70 HE3 TRP 9 HE3 TRP 9 -20.600 4.018 5.897 71 HZ2 TRP 9 HZ2 TRP 9 -19.737 3.964 0.991 72 HZ3 TRP 9 HZ3 TRP 9 -21.139 2.042 4.527 73 HH2 TRP 9 HH2 TRP 9 -20.716 2.021 2.126 74 H SER 10 H SER 10 -22.256 6.840 7.900 75 HA SER 10 HA SER 10 -21.228 8.120 10.309 76 HB2 SER 10 HB2 SER 10 -23.188 6.981 11.391 77 HB3 SER 10 HB3 SER 10 -23.645 8.098 10.106 78 HG SER 10 HG SER 10 -24.780 6.237 9.754 79 HA PRO 11 HA PRO 11 -18.748 4.616 11.449 80 HB2 PRO 11 HB2 PRO 11 -19.995 4.783 14.144 81 HB3 PRO 11 HB3 PRO 11 -18.288 4.807 13.693 82 HG2 PRO 11 HG2 PRO 11 -19.515 7.037 14.462 83 HG3 PRO 11 HG3 PRO 11 -18.328 7.062 13.145 84 HD2 PRO 11 HD2 PRO 11 -21.314 7.158 13.008 85 HD3 PRO 11 HD3 PRO 11 -20.111 8.021 12.027 86 H GLU 12 H GLU 12 -22.143 4.695 12.313 87 HA GLU 12 HA GLU 12 -22.523 1.942 12.797 88 HB2 GLU 12 HB2 GLU 12 -24.117 3.786 13.397 89 HB3 GLU 12 HB3 GLU 12 -24.528 3.921 11.695 90 HG2 GLU 12 HG2 GLU 12 -26.210 2.641 12.834 91 HG3 GLU 12 HG3 GLU 12 -25.325 1.594 11.725 92 H GLU 13 H GLU 13 -22.747 3.914 9.848 93 HA GLU 13 HA GLU 13 -23.600 1.709 8.229 94 HB2 GLU 13 HB2 GLU 13 -24.063 4.181 7.792 95 HB3 GLU 13 HB3 GLU 13 -22.405 4.284 7.213 96 HG2 GLU 13 HG2 GLU 13 -23.899 4.011 5.346 97 HG3 GLU 13 HG3 GLU 13 -22.910 2.563 5.526 98 H GLU 14 H GLU 14 -20.496 3.284 8.915 99 HA GLU 14 HA GLU 14 -19.002 1.792 7.020 100 HB2 GLU 14 HB2 GLU 14 -18.112 3.091 9.602 101 HB3 GLU 14 HB3 GLU 14 -17.021 2.410 8.404 102 HG2 GLU 14 HG2 GLU 14 -18.020 4.002 6.741 103 HG3 GLU 14 HG3 GLU 14 -18.847 4.774 8.093 104 H ALA 15 H ALA 15 -20.043 1.154 10.313 105 HA ALA 15 HA ALA 15 -18.607 -1.246 10.712 106 HB1 ALA 15 HB1 ALA 15 -21.289 -0.419 11.817 107 HB2 ALA 15 HB2 ALA 15 -19.716 -0.085 12.541 108 HB3 ALA 15 HB3 ALA 15 -20.295 -1.745 12.417 109 H HIS 16 H HIS 16 -21.605 -0.496 9.116 110 HA HIS 16 HA HIS 16 -22.360 -3.177 8.535 111 HB2 HIS 16 HB2 HIS 16 -24.033 -1.397 8.687 112 HB3 HIS 16 HB3 HIS 16 -23.278 -0.551 7.343 113 HD1 HIS 16 HD1 HIS 16 -25.174 -0.630 5.732 114 HD2 HIS 16 HD2 HIS 16 -24.197 -4.389 7.234 115 HE1 HIS 16 HE1 HIS 16 -26.547 -2.279 4.403 116 HE2 HIS 16 HE2 HIS 16 -26.119 -4.502 5.508 117 H LEU 17 H LEU 17 -20.419 -0.719 7.019 118 HA LEU 17 HA LEU 17 -20.222 -1.837 4.443 119 HB2 LEU 17 HB2 LEU 17 -19.491 0.464 5.164 120 HB3 LEU 17 HB3 LEU 17 -18.104 -0.282 5.932 121 HG LEU 17 HG LEU 17 -17.313 -1.077 3.746 122 HD11 LEU 17 HD11 LEU 17 -19.359 -1.382 2.564 123 HD12 LEU 17 HD12 LEU 17 -18.428 -0.152 1.711 124 HD13 LEU 17 HD13 LEU 17 -19.779 0.320 2.739 125 HD21 LEU 17 HD21 LEU 17 -17.947 1.866 3.825 126 HD22 LEU 17 HD22 LEU 17 -16.730 1.099 2.806 127 HD23 LEU 17 HD23 LEU 17 -16.550 1.078 4.560 128 H ARG 18 H ARG 18 -18.178 -2.177 7.335 129 HA ARG 18 HA ARG 18 -16.631 -4.275 6.165 130 HB2 ARG 18 HB2 ARG 18 -15.669 -4.569 8.390 131 HB3 ARG 18 HB3 ARG 18 -15.661 -2.884 7.907 132 HG2 ARG 18 HG2 ARG 18 -17.699 -2.548 9.299 133 HG3 ARG 18 HG3 ARG 18 -17.503 -4.205 9.876 134 HD2 ARG 18 HD2 ARG 18 -15.262 -3.636 10.706 135 HD3 ARG 18 HD3 ARG 18 -15.488 -1.978 10.157 136 HE ARG 18 HE ARG 18 -17.190 -3.225 12.220 137 HH11 ARG 18 HH11 ARG 18 -15.338 -0.501 11.009 138 HH12 ARG 18 HH12 ARG 18 -15.665 0.498 12.384 139 HH21 ARG 18 HH21 ARG 18 -17.601 -1.902 14.045 140 HH22 ARG 18 HH22 ARG 18 -16.948 -0.297 14.107 141 H GLU 19 H GLU 19 -19.553 -4.055 8.015 142 HA GLU 19 HA GLU 19 -19.920 -6.584 8.982 143 HB2 GLU 19 HB2 GLU 19 -21.543 -4.856 9.374 144 HB3 GLU 19 HB3 GLU 19 -21.908 -4.756 7.657 145 HG2 GLU 19 HG2 GLU 19 -23.673 -5.890 8.845 146 HG3 GLU 19 HG3 GLU 19 -22.872 -6.985 7.725 147 H LEU 20 H LEU 20 -20.715 -5.390 5.760 148 HA LEU 20 HA LEU 20 -21.546 -7.895 4.716 149 HB2 LEU 20 HB2 LEU 20 -21.476 -5.172 3.904 150 HB3 LEU 20 HB3 LEU 20 -20.724 -6.127 2.644 151 HG LEU 20 HG LEU 20 -23.397 -6.918 3.749 152 HD11 LEU 20 HD11 LEU 20 -24.453 -5.616 1.974 153 HD12 LEU 20 HD12 LEU 20 -22.888 -4.935 1.536 154 HD13 LEU 20 HD13 LEU 20 -23.597 -4.573 3.108 155 HD21 LEU 20 HD21 LEU 20 -22.061 -7.296 1.071 156 HD22 LEU 20 HD22 LEU 20 -23.643 -7.920 1.536 157 HD23 LEU 20 HD23 LEU 20 -22.190 -8.511 2.342 158 H TYR 21 H TYR 21 -18.474 -6.211 4.836 159 HA TYR 21 HA TYR 21 -17.189 -7.786 2.832 160 HB2 TYR 21 HB2 TYR 21 -16.290 -5.591 3.358 161 HB3 TYR 21 HB3 TYR 21 -16.034 -6.061 5.035 162 HD1 TYR 21 HD1 TYR 21 -15.051 -7.173 1.592 163 HD2 TYR 21 HD2 TYR 21 -13.913 -6.706 5.662 164 HE1 TYR 21 HE1 TYR 21 -12.780 -7.932 1.037 165 HE2 TYR 21 HE2 TYR 21 -11.638 -7.461 5.120 166 HH TYR 21 HH TYR 21 -10.505 -7.758 1.892 167 H LEU 22 H LEU 22 -17.082 -7.756 6.372 168 HA LEU 22 HA LEU 22 -15.313 -9.905 6.684 169 HB2 LEU 22 HB2 LEU 22 -17.550 -9.114 8.551 170 HB3 LEU 22 HB3 LEU 22 -16.107 -10.011 8.969 171 HG LEU 22 HG LEU 22 -16.261 -7.108 8.173 172 HD11 LEU 22 HD11 LEU 22 -15.407 -6.721 10.433 173 HD12 LEU 22 HD12 LEU 22 -15.495 -8.452 10.755 174 HD13 LEU 22 HD13 LEU 22 -16.969 -7.538 10.445 175 HD21 LEU 22 HD21 LEU 22 -13.812 -8.731 8.850 176 HD22 LEU 22 HD22 LEU 22 -13.869 -6.997 8.525 177 HD23 LEU 22 HD23 LEU 22 -14.244 -8.148 7.242 178 H ALA 23 H ALA 23 -18.713 -9.792 6.014 179 HA ALA 23 HA ALA 23 -19.265 -12.515 6.673 180 HB1 ALA 23 HB1 ALA 23 -21.006 -10.802 6.689 181 HB2 ALA 23 HB2 ALA 23 -21.413 -12.112 5.579 182 HB3 ALA 23 HB3 ALA 23 -20.809 -10.578 4.950 183 H ASN 24 H ASN 24 -18.568 -10.794 3.626 184 HA ASN 24 HA ASN 24 -18.904 -13.302 2.166 185 HB2 ASN 24 HB2 ASN 24 -18.785 -10.423 1.293 186 HB3 ASN 24 HB3 ASN 24 -18.734 -11.758 0.145 187 HD21 ASN 24 HD21 ASN 24 -20.681 -10.026 2.450 188 HD22 ASN 24 HD22 ASN 24 -22.199 -10.713 1.976 189 H LYS 25 H LYS 25 -16.359 -11.722 3.588 190 HA LYS 25 HA LYS 25 -14.409 -11.908 1.514 191 HB2 LYS 25 HB2 LYS 25 -12.753 -11.489 3.232 192 HB3 LYS 25 HB3 LYS 25 -14.123 -10.414 3.462 193 HG2 LYS 25 HG2 LYS 25 -14.946 -11.796 5.271 194 HG3 LYS 25 HG3 LYS 25 -13.645 -12.956 5.004 195 HD2 LYS 25 HD2 LYS 25 -13.215 -10.068 5.758 196 HD3 LYS 25 HD3 LYS 25 -13.257 -11.399 6.913 197 HE2 LYS 25 HE2 LYS 25 -11.325 -11.169 4.606 198 HE3 LYS 25 HE3 LYS 25 -10.963 -10.740 6.276 199 HZ1 LYS 25 HZ1 LYS 25 -10.175 -12.968 5.682 200 HZ2 LYS 25 HZ2 LYS 25 -11.762 -13.452 5.361 201 HZ3 LYS 25 HZ3 LYS 25 -11.315 -13.017 6.929 202 H ASP 26 H ASP 26 -15.955 -14.238 3.329 203 HA ASP 26 HA ASP 26 -13.684 -16.082 3.366 204 HB2 ASP 26 HB2 ASP 26 -15.252 -15.683 5.366 205 HB3 ASP 26 HB3 ASP 26 -16.438 -16.623 4.468 206 H VAL 27 H VAL 27 -15.698 -15.161 1.114 207 HA VAL 27 HA VAL 27 -16.389 -17.856 0.158 208 HB VAL 27 HB VAL 27 -17.708 -15.244 -0.622 209 HG11 VAL 27 HG11 VAL 27 -17.805 -16.930 -2.367 210 HG12 VAL 27 HG12 VAL 27 -19.400 -16.690 -1.654 211 HG13 VAL 27 HG13 VAL 27 -18.444 -18.107 -1.220 212 HG21 VAL 27 HG21 VAL 27 -18.180 -15.799 1.716 213 HG22 VAL 27 HG22 VAL 27 -18.725 -17.404 1.228 214 HG23 VAL 27 HG23 VAL 27 -19.618 -15.974 0.709 215 H GLU 28 H GLU 28 -14.897 -18.471 -1.256 216 HA GLU 28 HA GLU 28 -13.406 -16.559 -2.815 217 HB2 GLU 28 HB2 GLU 28 -13.384 -19.578 -2.776 218 HB3 GLU 28 HB3 GLU 28 -12.306 -18.595 -3.757 219 HG2 GLU 28 HG2 GLU 28 -11.414 -17.572 -1.711 220 HG3 GLU 28 HG3 GLU 28 -12.453 -18.631 -0.750 221 H GLY 29 H GLY 29 -13.542 -16.181 -4.971 222 HA2 GLY 29 HA2 GLY 29 -14.213 -16.606 -7.189 223 HA3 GLY 29 HA3 GLY 29 -15.375 -17.777 -6.588 224 H GLN 30 H GLN 30 -16.168 -15.634 -4.533 225 HA GLN 30 HA GLN 30 -18.127 -14.379 -6.278 226 HB2 GLN 30 HB2 GLN 30 -18.924 -15.446 -4.198 227 HB3 GLN 30 HB3 GLN 30 -17.939 -14.327 -3.260 228 HG2 GLN 30 HG2 GLN 30 -19.231 -12.470 -4.405 229 HG3 GLN 30 HG3 GLN 30 -20.332 -13.713 -4.947 230 HE21 GLN 30 HE21 GLN 30 -19.202 -11.882 -2.342 231 HE22 GLN 30 HE22 GLN 30 -20.420 -12.317 -1.203 232 H ASP 31 H ASP 31 -18.328 -12.212 -6.572 233 HA ASP 31 HA ASP 31 -16.131 -10.474 -6.096 234 HB2 ASP 31 HB2 ASP 31 -19.010 -9.911 -6.819 235 HB3 ASP 31 HB3 ASP 31 -17.744 -8.687 -6.793 236 H VAL 32 H VAL 32 -15.672 -10.366 -3.879 237 HA VAL 32 HA VAL 32 -17.622 -10.024 -1.885 238 HB VAL 32 HB VAL 32 -15.209 -10.691 -1.492 239 HG11 VAL 32 HG11 VAL 32 -14.069 -8.970 -2.730 240 HG12 VAL 32 HG12 VAL 32 -13.616 -8.854 -1.028 241 HG13 VAL 32 HG13 VAL 32 -14.783 -7.715 -1.714 242 HG21 VAL 32 HG21 VAL 32 -16.391 -8.508 0.217 243 HG22 VAL 32 HG22 VAL 32 -15.096 -9.597 0.714 244 HG23 VAL 32 HG23 VAL 32 -16.699 -10.239 0.352 245 H VAL 33 H VAL 33 -15.807 -7.713 -3.813 246 HA VAL 33 HA VAL 33 -16.644 -5.404 -2.472 247 HB VAL 33 HB VAL 33 -15.267 -4.331 -3.861 248 HG11 VAL 33 HG11 VAL 33 -13.721 -5.625 -5.183 249 HG12 VAL 33 HG12 VAL 33 -14.826 -6.997 -5.189 250 HG13 VAL 33 HG13 VAL 33 -14.079 -6.470 -3.679 251 HG21 VAL 33 HG21 VAL 33 -15.457 -4.219 -6.272 252 HG22 VAL 33 HG22 VAL 33 -17.048 -4.060 -5.529 253 HG23 VAL 33 HG23 VAL 33 -16.572 -5.584 -6.271 254 H GLU 34 H GLU 34 -17.928 -7.010 -5.396 255 HA GLU 34 HA GLU 34 -19.996 -5.129 -5.817 256 HB2 GLU 34 HB2 GLU 34 -19.142 -6.707 -7.548 257 HB3 GLU 34 HB3 GLU 34 -19.917 -8.024 -6.683 258 HG2 GLU 34 HG2 GLU 34 -21.276 -7.375 -8.549 259 HG3 GLU 34 HG3 GLU 34 -22.098 -6.957 -7.047 260 H ALA 35 H ALA 35 -19.749 -8.073 -3.943 261 HA ALA 35 HA ALA 35 -22.397 -8.407 -3.154 262 HB1 ALA 35 HB1 ALA 35 -20.610 -9.983 -2.568 263 HB2 ALA 35 HB2 ALA 35 -21.502 -9.462 -1.137 264 HB3 ALA 35 HB3 ALA 35 -19.909 -8.781 -1.480 265 H ILE 36 H ILE 36 -19.833 -6.423 -1.727 266 HA ILE 36 HA ILE 36 -21.458 -5.307 0.302 267 HB ILE 36 HB ILE 36 -18.934 -4.137 -0.869 268 HG12 ILE 36 HG12 ILE 36 -19.177 -5.983 1.511 269 HG13 ILE 36 HG13 ILE 36 -18.762 -6.547 -0.104 270 HG21 ILE 36 HG21 ILE 36 -20.310 -3.780 1.790 271 HG22 ILE 36 HG22 ILE 36 -20.121 -2.571 0.520 272 HG23 ILE 36 HG23 ILE 36 -18.707 -3.155 1.398 273 HD11 ILE 36 HD11 ILE 36 -16.786 -5.113 -0.081 274 HD12 ILE 36 HD12 ILE 36 -16.787 -6.268 1.250 275 HD13 ILE 36 HD13 ILE 36 -17.205 -4.581 1.546 276 H LEU 37 H LEU 37 -20.175 -3.906 -2.728 277 HA LEU 37 HA LEU 37 -21.253 -1.373 -2.584 278 HB2 LEU 37 HB2 LEU 37 -21.333 -2.877 -5.175 279 HB3 LEU 37 HB3 LEU 37 -21.059 -1.180 -4.927 280 HG LEU 37 HG LEU 37 -19.080 -3.321 -4.162 281 HD11 LEU 37 HD11 LEU 37 -19.299 -3.419 -6.526 282 HD12 LEU 37 HD12 LEU 37 -17.848 -2.479 -6.180 283 HD13 LEU 37 HD13 LEU 37 -19.333 -1.664 -6.659 284 HD21 LEU 37 HD21 LEU 37 -17.513 -1.460 -4.083 285 HD22 LEU 37 HD22 LEU 37 -18.832 -1.250 -2.931 286 HD23 LEU 37 HD23 LEU 37 -18.825 -0.338 -4.440 287 H ALA 38 H ALA 38 -22.861 -4.325 -3.591 288 HA ALA 38 HA ALA 38 -25.175 -2.885 -4.581 289 HB1 ALA 38 HB1 ALA 38 -24.247 -4.758 -5.840 290 HB2 ALA 38 HB2 ALA 38 -25.931 -5.029 -5.388 291 HB3 ALA 38 HB3 ALA 38 -24.638 -5.838 -4.501 292 H HIS 39 H HIS 39 -24.395 -5.037 -1.868 293 HA HIS 39 HA HIS 39 -27.168 -5.516 -1.295 294 HB2 HIS 39 HB2 HIS 39 -24.616 -6.326 0.031 295 HB3 HIS 39 HB3 HIS 39 -26.132 -6.474 0.913 296 HD1 HIS 39 HD1 HIS 39 -27.785 -8.284 0.137 297 HD2 HIS 39 HD2 HIS 39 -24.281 -8.116 -2.091 298 HE1 HIS 39 HE1 HIS 39 -27.765 -10.384 -1.244 299 HE2 HIS 39 HE2 HIS 39 -25.541 -10.349 -2.431 300 H LEU 40 H LEU 40 -24.812 -3.173 -0.203 301 HA LEU 40 HA LEU 40 -26.837 -2.226 1.679 302 HB2 LEU 40 HB2 LEU 40 -24.970 -0.469 2.216 303 HB3 LEU 40 HB3 LEU 40 -24.935 -2.069 2.911 304 HG LEU 40 HG LEU 40 -23.330 -2.653 0.974 305 HD11 LEU 40 HD11 LEU 40 -21.975 -0.736 0.208 306 HD12 LEU 40 HD12 LEU 40 -23.157 0.355 0.937 307 HD13 LEU 40 HD13 LEU 40 -23.631 -0.702 -0.398 308 HD21 LEU 40 HD21 LEU 40 -22.500 -0.789 3.191 309 HD22 LEU 40 HD22 LEU 40 -21.426 -1.852 2.281 310 HD23 LEU 40 HD23 LEU 40 -22.683 -2.540 3.309 311 H ASN 41 H ASN 41 -28.286 -1.626 0.083 312 HA ASN 41 HA ASN 41 -27.544 0.477 -1.781 313 HB2 ASN 41 HB2 ASN 41 -29.190 -1.527 -2.167 314 HB3 ASN 41 HB3 ASN 41 -30.354 -0.496 -1.343 315 HD21 ASN 41 HD21 ASN 41 -28.325 -0.860 -4.145 316 HD22 ASN 41 HD22 ASN 41 -29.133 0.308 -5.131 317 H THR 42 H THR 42 -27.189 1.106 0.846 318 HA THR 42 HA THR 42 -29.389 2.861 1.648 319 HB THR 42 HB THR 42 -28.672 1.413 3.413 320 HG1 THR 42 HG1 THR 42 -27.358 3.198 4.714 321 HG21 THR 42 HG21 THR 42 -26.354 1.261 4.183 322 HG22 THR 42 HG22 THR 42 -25.850 2.350 2.890 323 HG23 THR 42 HG23 THR 42 -26.503 0.760 2.497 324 H VAL 43 H VAL 43 -26.354 2.834 0.157 325 HA VAL 43 HA VAL 43 -26.150 5.746 0.408 326 HB VAL 43 HB VAL 43 -23.603 5.389 0.270 327 HG11 VAL 43 HG11 VAL 43 -23.407 5.215 2.704 328 HG12 VAL 43 HG12 VAL 43 -25.087 4.683 2.797 329 HG13 VAL 43 HG13 VAL 43 -24.707 6.311 2.227 330 HG21 VAL 43 HG21 VAL 43 -24.435 2.686 1.315 331 HG22 VAL 43 HG22 VAL 43 -22.789 3.320 1.317 332 HG23 VAL 43 HG23 VAL 43 -23.613 3.010 -0.210 333 HA PRO 44 HA PRO 44 -25.897 5.125 -4.089 334 HB2 PRO 44 HB2 PRO 44 -26.625 7.947 -4.168 335 HB3 PRO 44 HB3 PRO 44 -27.505 6.558 -4.810 336 HG2 PRO 44 HG2 PRO 44 -28.374 8.006 -2.676 337 HG3 PRO 44 HG3 PRO 44 -28.736 6.286 -2.894 338 HD2 PRO 44 HD2 PRO 44 -26.686 7.591 -1.149 339 HD3 PRO 44 HD3 PRO 44 -27.732 6.194 -0.813 340 H ARG 45 H ARG 45 -23.701 5.014 -4.345 341 HA ARG 45 HA ARG 45 -22.234 7.482 -4.611 342 HB2 ARG 45 HB2 ARG 45 -20.394 6.319 -3.071 343 HB3 ARG 45 HB3 ARG 45 -21.588 7.441 -2.436 344 HG2 ARG 45 HG2 ARG 45 -22.941 5.633 -1.636 345 HG3 ARG 45 HG3 ARG 45 -21.894 4.450 -2.422 346 HD2 ARG 45 HD2 ARG 45 -21.637 5.012 0.136 347 HD3 ARG 45 HD3 ARG 45 -20.239 4.683 -0.886 348 HE ARG 45 HE ARG 45 -19.696 6.954 -0.881 349 HH11 ARG 45 HH11 ARG 45 -22.519 6.337 1.116 350 HH12 ARG 45 HH12 ARG 45 -22.399 7.854 1.947 351 HH21 ARG 45 HH21 ARG 45 -19.540 8.919 0.234 352 HH22 ARG 45 HH22 ARG 45 -20.718 9.315 1.454 353 H THR 46 H THR 46 -19.827 6.926 -4.981 354 HA THR 46 HA THR 46 -19.746 5.143 -7.209 355 HB THR 46 HB THR 46 -17.424 5.872 -7.443 356 HG1 THR 46 HG1 THR 46 -16.530 7.284 -5.869 357 HG21 THR 46 HG21 THR 46 -19.277 8.119 -6.661 358 HG22 THR 46 HG22 THR 46 -19.152 7.379 -8.260 359 HG23 THR 46 HG23 THR 46 -17.800 8.304 -7.606 360 H ARG 47 H ARG 47 -18.442 3.281 -7.385 361 HA ARG 47 HA ARG 47 -18.710 1.603 -5.107 362 HB2 ARG 47 HB2 ARG 47 -17.162 0.972 -7.619 363 HB3 ARG 47 HB3 ARG 47 -17.955 -0.158 -6.531 364 HG2 ARG 47 HG2 ARG 47 -19.285 1.801 -8.395 365 HG3 ARG 47 HG3 ARG 47 -19.259 0.045 -8.537 366 HD2 ARG 47 HD2 ARG 47 -20.671 -0.221 -6.653 367 HD3 ARG 47 HD3 ARG 47 -20.455 1.457 -6.164 368 HE ARG 47 HE ARG 47 -21.630 1.896 -8.438 369 HH11 ARG 47 HH11 ARG 47 -22.354 -0.734 -6.244 370 HH12 ARG 47 HH12 ARG 47 -24.030 -0.801 -6.670 371 HH21 ARG 47 HH21 ARG 47 -23.843 1.822 -8.994 372 HH22 ARG 47 HH22 ARG 47 -24.877 0.646 -8.248 373 H LYS 48 H LYS 48 -16.141 3.383 -6.578 374 HA LYS 48 HA LYS 48 -13.851 2.351 -5.462 375 HB2 LYS 48 HB2 LYS 48 -13.842 4.190 -7.058 376 HB3 LYS 48 HB3 LYS 48 -14.611 5.245 -5.884 377 HG2 LYS 48 HG2 LYS 48 -12.579 4.925 -4.430 378 HG3 LYS 48 HG3 LYS 48 -11.822 4.135 -5.813 379 HD2 LYS 48 HD2 LYS 48 -11.139 6.434 -5.786 380 HD3 LYS 48 HD3 LYS 48 -12.238 6.196 -7.145 381 HE2 LYS 48 HE2 LYS 48 -14.069 7.158 -5.865 382 HE3 LYS 48 HE3 LYS 48 -13.019 7.326 -4.458 383 HZ1 LYS 48 HZ1 LYS 48 -12.594 8.692 -7.060 384 HZ2 LYS 48 HZ2 LYS 48 -11.676 8.901 -5.656 385 HZ3 LYS 48 HZ3 LYS 48 -13.287 9.407 -5.693 386 H GLN 49 H GLN 49 -16.326 4.333 -3.938 387 HA GLN 49 HA GLN 49 -14.814 5.112 -1.688 388 HB2 GLN 49 HB2 GLN 49 -17.814 4.838 -1.927 389 HB3 GLN 49 HB3 GLN 49 -16.959 5.719 -0.667 390 HG2 GLN 49 HG2 GLN 49 -15.957 7.094 -2.569 391 HG3 GLN 49 HG3 GLN 49 -17.209 6.383 -3.577 392 HE21 GLN 49 HE21 GLN 49 -18.221 8.300 -3.948 393 HE22 GLN 49 HE22 GLN 49 -19.092 9.166 -2.725 394 H ILE 50 H ILE 50 -17.043 2.397 -2.204 395 HA ILE 50 HA ILE 50 -17.080 1.434 0.413 396 HB ILE 50 HB ILE 50 -17.469 0.084 -2.235 397 HG12 ILE 50 HG12 ILE 50 -19.714 -0.357 -0.774 398 HG13 ILE 50 HG13 ILE 50 -19.162 1.150 -0.054 399 HG21 ILE 50 HG21 ILE 50 -17.438 -1.279 0.450 400 HG22 ILE 50 HG22 ILE 50 -16.434 -1.644 -0.953 401 HG23 ILE 50 HG23 ILE 50 -18.166 -1.971 -0.999 402 HD11 ILE 50 HD11 ILE 50 -19.110 2.134 -2.354 403 HD12 ILE 50 HD12 ILE 50 -20.711 1.673 -1.774 404 HD13 ILE 50 HD13 ILE 50 -19.872 0.642 -2.937 405 H ILE 51 H ILE 51 -14.938 0.483 -2.280 406 HA ILE 51 HA ILE 51 -13.364 -1.326 -0.830 407 HB ILE 51 HB ILE 51 -12.701 0.353 -3.251 408 HG12 ILE 51 HG12 ILE 51 -12.684 -1.983 -4.308 409 HG13 ILE 51 HG13 ILE 51 -13.453 -2.534 -2.827 410 HG21 ILE 51 HG21 ILE 51 -10.694 -1.023 -3.548 411 HG22 ILE 51 HG22 ILE 51 -10.997 -1.791 -1.991 412 HG23 ILE 51 HG23 ILE 51 -10.624 -0.071 -2.065 413 HD11 ILE 51 HD11 ILE 51 -15.032 -2.119 -4.660 414 HD12 ILE 51 HD12 ILE 51 -14.568 -0.419 -4.646 415 HD13 ILE 51 HD13 ILE 51 -15.354 -1.130 -3.237 416 H HIS 52 H HIS 52 -13.045 2.156 -1.334 417 HA HIS 52 HA HIS 52 -10.503 2.419 -0.168 418 HB2 HIS 52 HB2 HIS 52 -12.616 4.245 -1.080 419 HB3 HIS 52 HB3 HIS 52 -11.569 4.892 0.179 420 HD1 HIS 52 HD1 HIS 52 -9.682 6.152 -0.772 421 HD2 HIS 52 HD2 HIS 52 -10.783 2.962 -3.203 422 HE1 HIS 52 HE1 HIS 52 -8.114 6.222 -2.729 423 HE2 HIS 52 HE2 HIS 52 -8.718 4.220 -4.133 424 H HIS 53 H HIS 53 -13.753 2.832 1.273 425 HA HIS 53 HA HIS 53 -12.735 3.825 3.737 426 HB2 HIS 53 HB2 HIS 53 -15.386 2.498 3.163 427 HB3 HIS 53 HB3 HIS 53 -14.981 3.323 4.661 428 HD1 HIS 53 HD1 HIS 53 -13.883 5.926 3.859 429 HD2 HIS 53 HD2 HIS 53 -17.009 4.119 1.792 430 HE1 HIS 53 HE1 HIS 53 -14.956 7.770 2.529 431 HE2 HIS 53 HE2 HIS 53 -16.699 6.622 1.132 432 H LEU 54 H LEU 54 -13.138 0.657 2.457 433 HA LEU 54 HA LEU 54 -13.076 -0.717 4.961 434 HB2 LEU 54 HB2 LEU 54 -12.754 -1.578 2.101 435 HB3 LEU 54 HB3 LEU 54 -12.554 -2.705 3.426 436 HG LEU 54 HG LEU 54 -15.074 -1.116 2.936 437 HD11 LEU 54 HD11 LEU 54 -16.026 -3.170 2.067 438 HD12 LEU 54 HD12 LEU 54 -14.483 -3.995 2.274 439 HD13 LEU 54 HD13 LEU 54 -14.632 -2.686 1.102 440 HD21 LEU 54 HD21 LEU 54 -16.071 -2.688 4.514 441 HD22 LEU 54 HD22 LEU 54 -14.734 -1.812 5.261 442 HD23 LEU 54 HD23 LEU 54 -14.508 -3.478 4.729 443 H VAL 55 H VAL 55 -10.693 -0.108 2.398 444 HA VAL 55 HA VAL 55 -8.557 -1.328 3.853 445 HB VAL 55 HB VAL 55 -7.077 -0.443 2.152 446 HG11 VAL 55 HG11 VAL 55 -9.691 -1.457 1.050 447 HG12 VAL 55 HG12 VAL 55 -8.319 -2.425 1.590 448 HG13 VAL 55 HG13 VAL 55 -8.173 -1.411 0.155 449 HG21 VAL 55 HG21 VAL 55 -9.457 1.103 1.129 450 HG22 VAL 55 HG22 VAL 55 -7.876 1.004 0.355 451 HG23 VAL 55 HG23 VAL 55 -8.043 1.798 1.922 452 H GLN 56 H GLN 56 -10.056 1.736 3.892 453 HA GLN 56 HA GLN 56 -7.901 3.088 5.254 454 HB2 GLN 56 HB2 GLN 56 -10.672 3.779 4.391 455 HB3 GLN 56 HB3 GLN 56 -9.928 4.752 5.644 456 HG2 GLN 56 HG2 GLN 56 -8.102 5.324 4.167 457 HG3 GLN 56 HG3 GLN 56 -8.740 4.251 2.924 458 HE21 GLN 56 HE21 GLN 56 -10.575 4.841 1.804 459 HE22 GLN 56 HE22 GLN 56 -11.145 6.473 1.744 460 H MET 57 H MET 57 -10.464 1.000 6.118 461 HA MET 57 HA MET 57 -10.645 2.070 8.822 462 HB2 MET 57 HB2 MET 57 -12.678 1.457 7.482 463 HB3 MET 57 HB3 MET 57 -12.181 -0.224 7.614 464 HG2 MET 57 HG2 MET 57 -12.775 -0.375 9.799 465 HG3 MET 57 HG3 MET 57 -12.452 1.327 10.122 466 HE1 MET 57 HE1 MET 57 -14.908 -0.988 7.983 467 HE2 MET 57 HE2 MET 57 -14.492 0.396 6.973 468 HE3 MET 57 HE3 MET 57 -16.136 0.213 7.580 469 H GLY 58 H GLY 58 -8.472 0.267 7.419 470 HA2 GLY 58 HA2 GLY 58 -6.774 -0.981 8.337 471 HA3 GLY 58 HA3 GLY 58 -7.512 -0.706 9.905 472 H LEU 59 H LEU 59 -9.480 -2.163 7.497 473 HA LEU 59 HA LEU 59 -9.091 -4.772 8.787 474 HB2 LEU 59 HB2 LEU 59 -11.362 -5.315 7.935 475 HB3 LEU 59 HB3 LEU 59 -11.330 -4.005 9.097 476 HG LEU 59 HG LEU 59 -11.224 -2.545 6.878 477 HD11 LEU 59 HD11 LEU 59 -11.182 -4.494 5.395 478 HD12 LEU 59 HD12 LEU 59 -12.610 -3.493 5.139 479 HD13 LEU 59 HD13 LEU 59 -12.745 -5.002 6.035 480 HD21 LEU 59 HD21 LEU 59 -13.717 -3.769 8.031 481 HD22 LEU 59 HD22 LEU 59 -13.646 -2.303 7.054 482 HD23 LEU 59 HD23 LEU 59 -12.876 -2.345 8.640 483 H ALA 60 H ALA 60 -8.714 -2.992 5.949 484 HA ALA 60 HA ALA 60 -7.783 -5.407 4.559 485 HB1 ALA 60 HB1 ALA 60 -9.405 -3.190 3.301 486 HB2 ALA 60 HB2 ALA 60 -9.939 -4.849 3.571 487 HB3 ALA 60 HB3 ALA 60 -8.640 -4.516 2.425 488 H ASP 61 H ASP 61 -6.003 -5.007 3.121 489 HA ASP 61 HA ASP 61 -4.313 -2.936 4.169 490 HB2 ASP 61 HB2 ASP 61 -3.912 -5.228 2.304 491 HB3 ASP 61 HB3 ASP 61 -2.731 -3.923 2.298 492 H SER 62 H SER 62 -5.464 -3.670 0.847 493 HA SER 62 HA SER 62 -5.304 -0.830 0.233 494 HB2 SER 62 HB2 SER 62 -3.781 -2.831 -1.431 495 HB3 SER 62 HB3 SER 62 -3.802 -1.082 -1.631 496 HG SER 62 HG SER 62 -3.040 -1.412 0.817 497 H VAL 63 H VAL 63 -5.928 -0.463 -2.127 498 HA VAL 63 HA VAL 63 -8.514 -1.402 -2.589 499 HB VAL 63 HB VAL 63 -6.499 -0.072 -4.389 500 HG11 VAL 63 HG11 VAL 63 -8.283 0.350 -6.001 501 HG12 VAL 63 HG12 VAL 63 -9.386 -0.647 -5.051 502 HG13 VAL 63 HG13 VAL 63 -7.978 -1.379 -5.827 503 HG21 VAL 63 HG21 VAL 63 -9.002 0.896 -3.035 504 HG22 VAL 63 HG22 VAL 63 -7.985 1.859 -4.105 505 HG23 VAL 63 HG23 VAL 63 -7.342 1.269 -2.572 506 H LYS 64 H LYS 64 -5.447 -2.684 -3.469 507 HA LYS 64 HA LYS 64 -6.107 -4.226 -5.706 508 HB2 LYS 64 HB2 LYS 64 -4.045 -5.115 -3.738 509 HB3 LYS 64 HB3 LYS 64 -3.993 -5.150 -5.489 510 HG2 LYS 64 HG2 LYS 64 -3.761 -2.707 -5.527 511 HG3 LYS 64 HG3 LYS 64 -3.764 -2.694 -3.764 512 HD2 LYS 64 HD2 LYS 64 -1.781 -4.229 -3.855 513 HD3 LYS 64 HD3 LYS 64 -1.722 -3.930 -5.591 514 HE2 LYS 64 HE2 LYS 64 -1.465 -1.873 -3.404 515 HE3 LYS 64 HE3 LYS 64 -0.168 -2.478 -4.432 516 HZ1 LYS 64 HZ1 LYS 64 -0.960 -0.339 -5.198 517 HZ2 LYS 64 HZ2 LYS 64 -2.531 -0.937 -5.348 518 HZ3 LYS 64 HZ3 LYS 64 -1.308 -1.530 -6.351 519 H ASP 65 H ASP 65 -6.757 -4.700 -2.361 520 HA ASP 65 HA ASP 65 -7.068 -7.518 -2.297 521 HB2 ASP 65 HB2 ASP 65 -6.837 -6.050 -0.292 522 HB3 ASP 65 HB3 ASP 65 -8.439 -5.401 -0.613 523 H PHE 66 H PHE 66 -8.994 -4.900 -3.395 524 HA PHE 66 HA PHE 66 -11.353 -6.621 -3.752 525 HB2 PHE 66 HB2 PHE 66 -11.124 -3.605 -3.707 526 HB3 PHE 66 HB3 PHE 66 -12.620 -4.509 -3.893 527 HD1 PHE 66 HD1 PHE 66 -9.890 -3.676 -1.578 528 HD2 PHE 66 HD2 PHE 66 -13.761 -5.384 -2.015 529 HE1 PHE 66 HE1 PHE 66 -10.155 -3.685 0.863 530 HE2 PHE 66 HE2 PHE 66 -14.032 -5.398 0.424 531 HZ PHE 66 HZ PHE 66 -12.228 -4.545 1.871 532 H GLN 67 H GLN 67 -9.386 -4.126 -5.270 533 HA GLN 67 HA GLN 67 -10.271 -5.054 -7.911 534 HB2 GLN 67 HB2 GLN 67 -9.853 -2.184 -7.027 535 HB3 GLN 67 HB3 GLN 67 -10.163 -2.693 -8.684 536 HG2 GLN 67 HG2 GLN 67 -12.346 -3.549 -8.022 537 HG3 GLN 67 HG3 GLN 67 -12.032 -3.066 -6.355 538 HE21 GLN 67 HE21 GLN 67 -14.158 -2.233 -8.163 539 HE22 GLN 67 HE22 GLN 67 -14.037 -0.509 -8.278 540 H ARG 68 H ARG 68 -8.318 -6.317 -7.873 541 HA ARG 68 HA ARG 68 -5.757 -5.111 -7.801 542 HB2 ARG 68 HB2 ARG 68 -5.981 -7.483 -7.413 543 HB3 ARG 68 HB3 ARG 68 -6.702 -7.717 -9.000 544 HG2 ARG 68 HG2 ARG 68 -4.578 -7.027 -10.038 545 HG3 ARG 68 HG3 ARG 68 -3.866 -6.886 -8.427 546 HD2 ARG 68 HD2 ARG 68 -3.373 -9.034 -9.610 547 HD3 ARG 68 HD3 ARG 68 -4.120 -9.215 -8.024 548 HE ARG 68 HE ARG 68 -6.251 -9.264 -9.687 549 HH11 ARG 68 HH11 ARG 68 -3.228 -11.022 -9.740 550 HH12 ARG 68 HH12 ARG 68 -3.918 -12.441 -10.452 551 HH21 ARG 68 HH21 ARG 68 -7.173 -11.137 -10.599 552 HH22 ARG 68 HH22 ARG 68 -6.175 -12.519 -10.921 553 H LYS 69 H LYS 69 -6.009 -3.274 -9.124 554 HA LYS 69 HA LYS 69 -6.020 -3.835 -12.010 555 HB2 LYS 69 HB2 LYS 69 -6.522 -1.264 -10.501 556 HB3 LYS 69 HB3 LYS 69 -6.431 -1.380 -12.251 557 HG2 LYS 69 HG2 LYS 69 -8.451 -2.784 -10.511 558 HG3 LYS 69 HG3 LYS 69 -8.740 -1.317 -11.445 559 HD2 LYS 69 HD2 LYS 69 -7.988 -4.018 -12.567 560 HD3 LYS 69 HD3 LYS 69 -9.593 -3.291 -12.606 561 HE2 LYS 69 HE2 LYS 69 -7.113 -2.231 -13.965 562 HE3 LYS 69 HE3 LYS 69 -8.474 -3.027 -14.751 563 HZ1 LYS 69 HZ1 LYS 69 -8.621 -0.459 -13.272 564 HZ2 LYS 69 HZ2 LYS 69 -9.898 -1.216 -14.077 565 HZ3 LYS 69 HZ3 LYS 69 -8.586 -0.616 -14.954 566 H GLY 70 H GLY 70 -4.107 -2.702 -9.373 567 HA2 GLY 70 HA2 GLY 70 -1.834 -2.425 -11.170 568 HA3 GLY 70 HA3 GLY 70 -2.277 -1.006 -10.234 569 H THR 71 H THR 71 -0.313 -3.643 -10.320 570 HA THR 71 HA THR 71 0.193 -3.378 -7.436 571 HB THR 71 HB THR 71 1.325 -5.705 -7.742 572 HG1 THR 71 HG1 THR 71 0.539 -5.478 -10.121 573 HG21 THR 71 HG21 THR 71 -0.479 -5.344 -6.212 574 HG22 THR 71 HG22 THR 71 -0.821 -6.808 -7.136 575 HG23 THR 71 HG23 THR 71 -1.655 -5.302 -7.528 576 H HIS 72 H HIS 72 1.729 -1.847 -7.563 577 HA HIS 72 HA HIS 72 4.027 -1.721 -9.097 578 HB2 HIS 72 HB2 HIS 72 5.011 -0.504 -7.205 579 HB3 HIS 72 HB3 HIS 72 3.304 -0.075 -7.315 580 HD1 HIS 72 HD1 HIS 72 5.782 -1.342 -4.976 581 HD2 HIS 72 HD2 HIS 72 1.697 -1.767 -5.456 582 HE1 HIS 72 HE1 HIS 72 4.944 -2.565 -2.941 583 HE2 HIS 72 HE2 HIS 72 2.445 -2.413 -3.078 584 H ILE 73 H ILE 73 3.205 -3.620 -6.349 585 HA ILE 73 HA ILE 73 5.090 -5.703 -6.703 586 HB ILE 73 HB ILE 73 5.586 -3.558 -4.682 587 HG12 ILE 73 HG12 ILE 73 6.920 -4.383 -6.847 588 HG13 ILE 73 HG13 ILE 73 7.661 -3.557 -5.498 589 HG21 ILE 73 HG21 ILE 73 6.173 -6.445 -4.128 590 HG22 ILE 73 HG22 ILE 73 5.112 -5.380 -3.207 591 HG23 ILE 73 HG23 ILE 73 6.853 -5.092 -3.230 592 HD11 ILE 73 HD11 ILE 73 7.544 -6.535 -5.924 593 HD12 ILE 73 HD12 ILE 73 8.356 -5.721 -4.587 594 HD13 ILE 73 HD13 ILE 73 8.945 -5.512 -6.239 595 H VAL 74 H VAL 74 4.424 -7.450 -5.463 596 HA VAL 74 HA VAL 74 2.192 -6.990 -3.633 597 HB VAL 74 HB VAL 74 1.713 -9.399 -3.856 598 HG11 VAL 74 HG11 VAL 74 0.781 -9.264 -6.124 599 HG12 VAL 74 HG12 VAL 74 1.822 -7.874 -6.454 600 HG13 VAL 74 HG13 VAL 74 0.555 -7.754 -5.234 601 HG21 VAL 74 HG21 VAL 74 2.782 -10.716 -5.606 602 HG22 VAL 74 HG22 VAL 74 3.981 -10.142 -4.447 603 HG23 VAL 74 HG23 VAL 74 3.821 -9.351 -6.014 604 H LEU 75 H LEU 75 2.333 -8.090 -1.548 605 HA LEU 75 HA LEU 75 4.684 -7.504 -0.269 606 HB2 LEU 75 HB2 LEU 75 3.851 -8.887 1.610 607 HB3 LEU 75 HB3 LEU 75 2.659 -7.774 0.971 608 HG LEU 75 HG LEU 75 2.377 -10.282 -0.375 609 HD11 LEU 75 HD11 LEU 75 1.794 -11.715 1.494 610 HD12 LEU 75 HD12 LEU 75 2.285 -10.463 2.633 611 HD13 LEU 75 HD13 LEU 75 3.487 -11.228 1.595 612 HD21 LEU 75 HD21 LEU 75 0.112 -10.142 0.558 613 HD22 LEU 75 HD22 LEU 75 0.627 -8.606 -0.140 614 HD23 LEU 75 HD23 LEU 75 0.630 -8.824 1.610 615 H TRP 76 H TRP 76 6.558 -8.256 -1.036 616 HA TRP 76 HA TRP 76 6.765 -11.042 -1.819 617 HB2 TRP 76 HB2 TRP 76 8.263 -8.545 -2.462 618 HB3 TRP 76 HB3 TRP 76 9.173 -10.065 -2.499 619 HD1 TRP 76 HD1 TRP 76 7.432 -7.897 -4.724 620 HE1 TRP 76 HE1 TRP 76 6.575 -9.106 -6.826 621 HE3 TRP 76 HE3 TRP 76 7.847 -12.714 -3.117 622 HZ2 TRP 76 HZ2 TRP 76 6.127 -11.742 -7.693 623 HZ3 TRP 76 HZ3 TRP 76 7.181 -14.520 -4.644 624 HH2 TRP 76 HH2 TRP 76 6.339 -14.043 -6.878 625 H THR 77 H THR 77 7.189 -12.379 -0.267 626 HA THR 77 HA THR 77 9.315 -11.751 1.663 627 HB THR 77 HB THR 77 8.322 -13.567 3.048 628 HG1 THR 77 HG1 THR 77 6.127 -14.220 2.359 629 HG21 THR 77 HG21 THR 77 6.268 -12.352 3.710 630 HG22 THR 77 HG22 THR 77 6.399 -11.371 2.249 631 HG23 THR 77 HG23 THR 77 7.646 -11.272 3.494 632 H GLY 78 H GLY 78 10.575 -13.758 2.329 633 HA2 GLY 78 HA2 GLY 78 11.860 -14.930 0.153 634 HA3 GLY 78 HA3 GLY 78 11.914 -15.551 1.796 635 H ASP 79 H ASP 79 9.165 -16.128 2.075 636 HA ASP 79 HA ASP 79 9.002 -18.712 0.972 637 HB2 ASP 79 HB2 ASP 79 6.843 -16.937 2.130 638 HB3 ASP 79 HB3 ASP 79 6.627 -18.643 1.753 639 H GLN 80 H GLN 80 7.117 -15.793 0.230 640 HA GLN 80 HA GLN 80 5.665 -16.896 -1.896 641 HB2 GLN 80 HB2 GLN 80 5.125 -14.792 -0.613 642 HB3 GLN 80 HB3 GLN 80 6.382 -13.980 -1.538 643 HG2 GLN 80 HG2 GLN 80 5.182 -14.423 -3.597 644 HG3 GLN 80 HG3 GLN 80 3.942 -15.298 -2.701 645 HE21 GLN 80 HE21 GLN 80 5.290 -12.189 -3.430 646 HE22 GLN 80 HE22 GLN 80 3.997 -11.248 -2.780 647 H GLU 81 H GLU 81 8.769 -15.299 -1.759 648 HA GLU 81 HA GLU 81 9.172 -14.958 -4.541 649 HB2 GLU 81 HB2 GLU 81 10.420 -13.816 -2.682 650 HB3 GLU 81 HB3 GLU 81 11.254 -15.332 -2.386 651 HG2 GLU 81 HG2 GLU 81 12.307 -15.252 -4.526 652 HG3 GLU 81 HG3 GLU 81 11.335 -13.859 -5.003 653 H LEU 82 H LEU 82 10.098 -17.482 -2.246 654 HA LEU 82 HA LEU 82 11.468 -19.156 -4.025 655 HB2 LEU 82 HB2 LEU 82 11.615 -19.408 -1.618 656 HB3 LEU 82 HB3 LEU 82 9.910 -19.796 -1.520 657 HG LEU 82 HG LEU 82 11.380 -21.620 -3.266 658 HD11 LEU 82 HD11 LEU 82 13.183 -21.168 -1.691 659 HD12 LEU 82 HD12 LEU 82 12.534 -22.790 -1.445 660 HD13 LEU 82 HD13 LEU 82 12.097 -21.489 -0.337 661 HD21 LEU 82 HD21 LEU 82 10.174 -23.278 -1.932 662 HD22 LEU 82 HD22 LEU 82 9.097 -21.999 -2.493 663 HD23 LEU 82 HD23 LEU 82 9.657 -22.007 -0.821 664 H GLU 83 H GLU 83 8.042 -18.765 -3.363 665 HA GLU 83 HA GLU 83 7.070 -21.043 -4.688 666 HB2 GLU 83 HB2 GLU 83 5.801 -18.305 -4.571 667 HB3 GLU 83 HB3 GLU 83 4.987 -19.803 -4.981 668 HG2 GLU 83 HG2 GLU 83 5.386 -20.630 -2.713 669 HG3 GLU 83 HG3 GLU 83 6.169 -19.099 -2.309 670 H LEU 84 H LEU 84 7.525 -17.726 -5.891 671 HA LEU 84 HA LEU 84 6.510 -18.208 -8.454 672 HB2 LEU 84 HB2 LEU 84 6.772 -15.964 -7.479 673 HB3 LEU 84 HB3 LEU 84 8.514 -16.113 -7.614 674 HG LEU 84 HG LEU 84 8.333 -16.203 -10.060 675 HD11 LEU 84 HD11 LEU 84 6.209 -15.786 -11.166 676 HD12 LEU 84 HD12 LEU 84 5.384 -15.771 -9.608 677 HD13 LEU 84 HD13 LEU 84 6.129 -17.257 -10.196 678 HD21 LEU 84 HD21 LEU 84 7.667 -13.899 -10.440 679 HD22 LEU 84 HD22 LEU 84 8.595 -14.031 -8.945 680 HD23 LEU 84 HD23 LEU 84 6.839 -13.862 -8.883 681 H GLN 85 H GLN 85 9.819 -18.365 -7.213 682 HA GLN 85 HA GLN 85 11.192 -18.713 -9.599 683 HB2 GLN 85 HB2 GLN 85 12.342 -18.386 -7.501 684 HB3 GLN 85 HB3 GLN 85 11.688 -19.888 -6.863 685 HG2 GLN 85 HG2 GLN 85 12.943 -21.080 -8.684 686 HG3 GLN 85 HG3 GLN 85 13.736 -19.547 -9.027 687 HE21 GLN 85 HE21 GLN 85 13.370 -22.128 -6.777 688 HE22 GLN 85 HE22 GLN 85 14.725 -21.724 -5.793 689 H ARG 86 H ARG 86 9.773 -21.171 -7.472 690 HA ARG 86 HA ARG 86 10.642 -23.400 -8.920 691 HB2 ARG 86 HB2 ARG 86 8.266 -23.073 -7.097 692 HB3 ARG 86 HB3 ARG 86 8.840 -24.617 -7.707 693 HG2 ARG 86 HG2 ARG 86 10.969 -24.296 -6.568 694 HG3 ARG 86 HG3 ARG 86 10.424 -22.721 -5.986 695 HD2 ARG 86 HD2 ARG 86 9.077 -25.345 -5.361 696 HD3 ARG 86 HD3 ARG 86 10.212 -24.520 -4.294 697 HE ARG 86 HE ARG 86 8.605 -22.720 -4.102 698 HH11 ARG 86 HH11 ARG 86 7.411 -25.667 -5.566 699 HH12 ARG 86 HH12 ARG 86 5.765 -25.383 -5.095 700 HH21 ARG 86 HH21 ARG 86 6.417 -22.356 -3.471 701 HH22 ARG 86 HH22 ARG 86 5.202 -23.510 -3.917 702 H LEU 87 H LEU 87 7.441 -21.839 -8.908 703 HA LEU 87 HA LEU 87 6.300 -23.578 -10.795 704 HB2 LEU 87 HB2 LEU 87 5.571 -20.861 -9.800 705 HB3 LEU 87 HB3 LEU 87 4.701 -21.559 -11.151 706 HG LEU 87 HG LEU 87 4.305 -23.579 -9.611 707 HD11 LEU 87 HD11 LEU 87 4.275 -23.089 -7.231 708 HD12 LEU 87 HD12 LEU 87 4.990 -21.507 -7.534 709 HD13 LEU 87 HD13 LEU 87 5.913 -22.971 -7.876 710 HD21 LEU 87 HD21 LEU 87 2.337 -22.512 -8.655 711 HD22 LEU 87 HD22 LEU 87 2.584 -22.033 -10.334 712 HD23 LEU 87 HD23 LEU 87 3.012 -20.925 -9.031 713 H PHE 88 H PHE 88 8.001 -20.523 -11.179 714 HA PHE 88 HA PHE 88 7.497 -20.027 -13.855 715 HB2 PHE 88 HB2 PHE 88 8.623 -18.314 -12.774 716 HB3 PHE 88 HB3 PHE 88 9.768 -19.409 -12.016 717 HD1 PHE 88 HD1 PHE 88 11.857 -19.777 -12.934 718 HD2 PHE 88 HD2 PHE 88 8.836 -17.906 -15.272 719 HE1 PHE 88 HE1 PHE 88 13.518 -19.286 -14.671 720 HE2 PHE 88 HE2 PHE 88 10.494 -17.402 -17.014 721 HZ PHE 88 HZ PHE 88 12.837 -18.101 -16.713 722 H GLU 89 H GLU 89 9.981 -22.111 -12.416 723 HA GLU 89 HA GLU 89 11.238 -22.699 -14.900 724 HB2 GLU 89 HB2 GLU 89 11.341 -24.289 -12.345 725 HB3 GLU 89 HB3 GLU 89 12.495 -24.349 -13.663 726 HG2 GLU 89 HG2 GLU 89 13.232 -22.126 -13.205 727 HG3 GLU 89 HG3 GLU 89 11.955 -21.909 -12.011 728 H GLU 90 H GLU 90 8.616 -24.186 -13.070 729 HA GLU 90 HA GLU 90 8.857 -26.616 -14.639 730 HB2 GLU 90 HB2 GLU 90 7.055 -27.468 -13.155 731 HB3 GLU 90 HB3 GLU 90 8.513 -26.948 -12.320 732 HG2 GLU 90 HG2 GLU 90 7.475 -24.945 -11.591 733 HG3 GLU 90 HG3 GLU 90 6.055 -25.256 -12.585 734 H PHE 91 H PHE 91 6.955 -23.742 -14.649 735 HA PHE 91 HA PHE 91 5.201 -24.964 -16.668 736 HB2 PHE 91 HB2 PHE 91 4.958 -22.327 -15.205 737 HB3 PHE 91 HB3 PHE 91 3.854 -22.875 -16.464 738 HD1 PHE 91 HD1 PHE 91 2.970 -25.375 -16.026 739 HD2 PHE 91 HD2 PHE 91 4.260 -22.636 -13.039 740 HE1 PHE 91 HE1 PHE 91 1.630 -26.579 -14.351 741 HE2 PHE 91 HE2 PHE 91 2.924 -23.838 -11.359 742 HZ PHE 91 HZ PHE 91 1.609 -25.811 -12.013 743 H ARG 92 H ARG 92 8.105 -23.750 -16.647 744 HA ARG 92 HA ARG 92 8.076 -21.635 -18.529 745 HB2 ARG 92 HB2 ARG 92 9.969 -22.064 -17.032 746 HB3 ARG 92 HB3 ARG 92 10.271 -23.596 -17.833 747 HG2 ARG 92 HG2 ARG 92 11.012 -22.538 -19.803 748 HG3 ARG 92 HG3 ARG 92 10.376 -20.974 -19.292 749 HD2 ARG 92 HD2 ARG 92 11.997 -20.931 -17.452 750 HD3 ARG 92 HD3 ARG 92 12.652 -22.475 -17.994 751 HE ARG 92 HE ARG 92 12.903 -20.947 -20.195 752 HH11 ARG 92 HH11 ARG 92 13.869 -20.466 -16.869 753 HH12 ARG 92 HH12 ARG 92 15.138 -19.352 -17.258 754 HH21 ARG 92 HH21 ARG 92 14.603 -19.500 -20.726 755 HH22 ARG 92 HH22 ARG 92 15.557 -18.803 -19.461 756 H ASP 93 H ASP 93 7.783 -25.036 -18.817 757 HA ASP 93 HA ASP 93 8.395 -24.995 -21.673 758 HB2 ASP 93 HB2 ASP 93 8.163 -27.448 -21.558 759 HB3 ASP 93 HB3 ASP 93 9.344 -26.835 -20.406 760 H SER 94 H SER 94 5.878 -23.986 -20.098 761 HA SER 94 HA SER 94 3.856 -25.494 -21.598 762 HB2 SER 94 HB2 SER 94 3.507 -23.565 -19.289 763 HB3 SER 94 HB3 SER 94 2.229 -24.524 -20.040 764 HG SER 94 HG SER 94 4.194 -26.175 -19.374 765 H ASP 95 H ASP 95 1.864 -23.900 -22.054 766 HA ASP 95 HA ASP 95 2.802 -22.321 -24.205 767 HB2 ASP 95 HB2 ASP 95 0.438 -21.797 -24.616 768 HB3 ASP 95 HB3 ASP 95 0.661 -23.515 -24.309 769 H ASP 96 H ASP 96 1.473 -21.448 -21.051 770 HA ASP 96 HA ASP 96 2.899 -18.927 -21.338 771 HB2 ASP 96 HB2 ASP 96 0.513 -18.457 -21.938 772 HB3 ASP 96 HB3 ASP 96 0.049 -18.990 -20.323 773 H VAL 97 H VAL 97 4.298 -19.032 -19.778 774 HA VAL 97 HA VAL 97 4.037 -20.780 -17.592 775 HB VAL 97 HB VAL 97 6.233 -20.293 -18.373 776 HG11 VAL 97 HG11 VAL 97 7.275 -18.074 -18.139 777 HG12 VAL 97 HG12 VAL 97 5.707 -17.414 -17.682 778 HG13 VAL 97 HG13 VAL 97 5.942 -18.097 -19.292 779 HG21 VAL 97 HG21 VAL 97 6.140 -20.787 -16.028 780 HG22 VAL 97 HG22 VAL 97 5.816 -19.096 -15.642 781 HG23 VAL 97 HG23 VAL 97 7.383 -19.565 -16.309 782 H LEU 98 H LEU 98 3.492 -17.284 -17.874 783 HA LEU 98 HA LEU 98 3.308 -16.828 -15.077 784 HB2 LEU 98 HB2 LEU 98 2.203 -15.208 -17.364 785 HB3 LEU 98 HB3 LEU 98 2.235 -14.682 -15.693 786 HG LEU 98 HG LEU 98 4.854 -15.266 -16.080 787 HD11 LEU 98 HD11 LEU 98 5.496 -14.292 -18.243 788 HD12 LEU 98 HD12 LEU 98 3.794 -14.240 -18.704 789 HD13 LEU 98 HD13 LEU 98 4.581 -15.790 -18.417 790 HD21 LEU 98 HD21 LEU 98 3.499 -12.650 -16.719 791 HD22 LEU 98 HD22 LEU 98 5.185 -12.870 -16.250 792 HD23 LEU 98 HD23 LEU 98 3.895 -13.232 -15.102 793 H GLY 99 H GLY 99 0.863 -17.403 -17.580 794 HA2 GLY 99 HA2 GLY 99 -1.399 -17.038 -15.934 795 HA3 GLY 99 HA3 GLY 99 -1.351 -17.980 -17.422 796 H HIS 100 H HIS 100 0.520 -19.928 -16.649 797 HA HIS 100 HA HIS 100 -1.212 -21.672 -15.199 798 HB2 HIS 100 HB2 HIS 100 1.592 -22.004 -16.260 799 HB3 HIS 100 HB3 HIS 100 0.782 -23.263 -15.336 800 HD1 HIS 100 HD1 HIS 100 -0.477 -24.900 -16.691 801 HD2 HIS 100 HD2 HIS 100 -0.001 -21.291 -18.688 802 HE1 HIS 100 HE1 HIS 100 -1.415 -25.271 -18.988 803 HE2 HIS 100 HE2 HIS 100 -0.869 -23.163 -20.252 804 H ILE 101 H ILE 101 1.644 -19.778 -14.481 805 HA ILE 101 HA ILE 101 2.150 -20.621 -11.871 806 HB ILE 101 HB ILE 101 2.406 -17.904 -13.171 807 HG12 ILE 101 HG12 ILE 101 4.469 -19.895 -12.184 808 HG13 ILE 101 HG13 ILE 101 3.975 -19.694 -13.862 809 HG21 ILE 101 HG21 ILE 101 3.222 -18.650 -10.359 810 HG22 ILE 101 HG22 ILE 101 1.966 -17.500 -10.813 811 HG23 ILE 101 HG23 ILE 101 3.654 -17.155 -11.189 812 HD11 ILE 101 HD11 ILE 101 4.845 -17.415 -13.840 813 HD12 ILE 101 HD12 ILE 101 6.091 -18.589 -13.420 814 HD13 ILE 101 HD13 ILE 101 5.333 -17.620 -12.158 815 H MET 102 H MET 102 0.012 -18.003 -12.989 816 HA MET 102 HA MET 102 -0.934 -17.191 -10.510 817 HB2 MET 102 HB2 MET 102 -2.277 -17.114 -13.206 818 HB3 MET 102 HB3 MET 102 -2.917 -16.317 -11.774 819 HG2 MET 102 HG2 MET 102 -0.802 -15.032 -11.617 820 HG3 MET 102 HG3 MET 102 -0.307 -15.745 -13.154 821 HE1 MET 102 HE1 MET 102 -0.687 -12.635 -12.241 822 HE2 MET 102 HE2 MET 102 -1.290 -11.933 -13.744 823 HE3 MET 102 HE3 MET 102 0.038 -13.093 -13.784 824 H LYS 103 H LYS 103 -2.199 -19.710 -12.633 825 HA LYS 103 HA LYS 103 -4.543 -20.185 -11.096 826 HB2 LYS 103 HB2 LYS 103 -3.146 -21.627 -13.309 827 HB3 LYS 103 HB3 LYS 103 -4.390 -22.473 -12.400 828 HG2 LYS 103 HG2 LYS 103 -5.263 -21.459 -14.447 829 HG3 LYS 103 HG3 LYS 103 -6.021 -20.784 -13.005 830 HD2 LYS 103 HD2 LYS 103 -4.696 -18.801 -13.161 831 HD3 LYS 103 HD3 LYS 103 -3.715 -19.497 -14.452 832 HE2 LYS 103 HE2 LYS 103 -5.336 -17.910 -15.334 833 HE3 LYS 103 HE3 LYS 103 -5.655 -19.540 -15.920 834 HZ1 LYS 103 HZ1 LYS 103 -7.449 -19.760 -14.384 835 HZ2 LYS 103 HZ2 LYS 103 -7.661 -18.309 -15.225 836 HZ3 LYS 103 HZ3 LYS 103 -7.080 -18.285 -13.636 837 H ASN 104 H ASN 104 -1.273 -21.478 -10.982 838 HA ASN 104 HA ASN 104 -2.168 -23.490 -9.034 839 HB2 ASN 104 HB2 ASN 104 0.376 -23.253 -10.634 840 HB3 ASN 104 HB3 ASN 104 0.163 -24.429 -9.341 841 HD21 ASN 104 HD21 ASN 104 -0.713 -23.516 -12.558 842 HD22 ASN 104 HD22 ASN 104 -1.530 -24.986 -12.975 843 H ILE 105 H ILE 105 -1.190 -20.416 -8.823 844 HA ILE 105 HA ILE 105 0.601 -20.895 -6.552 845 HB ILE 105 HB ILE 105 1.433 -19.381 -8.326 846 HG12 ILE 105 HG12 ILE 105 2.153 -17.544 -6.821 847 HG13 ILE 105 HG13 ILE 105 0.987 -18.110 -5.631 848 HG21 ILE 105 HG21 ILE 105 -0.738 -17.515 -7.404 849 HG22 ILE 105 HG22 ILE 105 -0.712 -18.371 -8.945 850 HG23 ILE 105 HG23 ILE 105 0.516 -17.155 -8.590 851 HD11 ILE 105 HD11 ILE 105 2.165 -20.227 -5.472 852 HD12 ILE 105 HD12 ILE 105 3.230 -18.869 -5.120 853 HD13 ILE 105 HD13 ILE 105 3.324 -19.679 -6.683 854 H THR 106 H THR 106 0.258 -19.920 -4.577 855 HA THR 106 HA THR 106 -2.480 -19.721 -3.833 856 HB THR 106 HB THR 106 -0.317 -20.559 -2.536 857 HG1 THR 106 HG1 THR 106 -1.836 -20.951 -1.129 858 HG21 THR 106 HG21 THR 106 0.319 -18.993 -0.752 859 HG22 THR 106 HG22 THR 106 -0.656 -17.737 -1.512 860 HG23 THR 106 HG23 THR 106 0.761 -18.378 -2.344 861 H ALA 107 H ALA 107 0.147 -17.408 -4.311 862 HA ALA 107 HA ALA 107 -1.478 -15.182 -3.415 863 HB1 ALA 107 HB1 ALA 107 1.280 -15.245 -4.634 864 HB2 ALA 107 HB2 ALA 107 0.903 -15.165 -2.911 865 HB3 ALA 107 HB3 ALA 107 0.488 -13.816 -3.972 866 H LYS 108 H LYS 108 -2.712 -13.966 -4.699 867 HA LYS 108 HA LYS 108 -2.629 -14.431 -7.570 868 HB2 LYS 108 HB2 LYS 108 -4.475 -12.670 -5.945 869 HB3 LYS 108 HB3 LYS 108 -4.670 -13.083 -7.640 870 HG2 LYS 108 HG2 LYS 108 -4.683 -15.130 -5.435 871 HG3 LYS 108 HG3 LYS 108 -6.137 -14.330 -6.025 872 HD2 LYS 108 HD2 LYS 108 -6.217 -16.168 -7.357 873 HD3 LYS 108 HD3 LYS 108 -5.162 -15.180 -8.363 874 HE2 LYS 108 HE2 LYS 108 -4.276 -17.422 -8.188 875 HE3 LYS 108 HE3 LYS 108 -3.206 -16.297 -7.360 876 HZ1 LYS 108 HZ1 LYS 108 -3.569 -18.343 -6.096 877 HZ2 LYS 108 HZ2 LYS 108 -5.228 -18.023 -6.031 878 HZ3 LYS 108 HZ3 LYS 108 -4.140 -16.991 -5.252 879 H ARG 109 H ARG 109 -0.980 -13.412 -8.492 880 HA ARG 109 HA ARG 109 -0.433 -10.623 -7.718 881 HB2 ARG 109 HB2 ARG 109 1.497 -12.458 -9.141 882 HB3 ARG 109 HB3 ARG 109 1.853 -10.966 -8.280 883 HG2 ARG 109 HG2 ARG 109 1.390 -12.034 -6.161 884 HG3 ARG 109 HG3 ARG 109 0.904 -13.517 -6.982 885 HD2 ARG 109 HD2 ARG 109 3.233 -13.559 -7.983 886 HD3 ARG 109 HD3 ARG 109 3.649 -12.285 -6.836 887 HE ARG 109 HE ARG 109 3.006 -13.903 -5.059 888 HH11 ARG 109 HH11 ARG 109 3.932 -15.086 -8.225 889 HH12 ARG 109 HH12 ARG 109 4.461 -16.623 -7.638 890 HH21 ARG 109 HH21 ARG 109 3.692 -15.969 -4.285 891 HH22 ARG 109 HH22 ARG 109 4.333 -17.119 -5.405 892 H SER 110 H SER 110 0.457 -9.293 -9.552 893 HA SER 110 HA SER 110 -1.049 -9.870 -11.996 894 HB2 SER 110 HB2 SER 110 -1.433 -7.668 -10.964 895 HB3 SER 110 HB3 SER 110 0.286 -7.307 -11.084 896 HG SER 110 HG SER 110 -1.669 -7.411 -13.082 897 H ARG 111 H ARG 111 0.012 -9.528 -14.076 898 HA ARG 111 HA ARG 111 2.403 -11.018 -14.173 899 HB2 ARG 111 HB2 ARG 111 0.797 -9.552 -16.227 900 HB3 ARG 111 HB3 ARG 111 2.373 -10.214 -16.646 901 HG2 ARG 111 HG2 ARG 111 1.606 -12.441 -15.948 902 HG3 ARG 111 HG3 ARG 111 0.020 -11.765 -15.574 903 HD2 ARG 111 HD2 ARG 111 -0.402 -11.251 -17.834 904 HD3 ARG 111 HD3 ARG 111 1.278 -11.523 -18.287 905 HE ARG 111 HE ARG 111 0.659 -13.951 -17.494 906 HH11 ARG 111 HH11 ARG 111 -1.369 -11.712 -19.264 907 HH12 ARG 111 HH12 ARG 111 -2.110 -12.938 -20.239 908 HH21 ARG 111 HH21 ARG 111 -0.307 -15.594 -18.813 909 HH22 ARG 111 HH22 ARG 111 -1.533 -15.142 -19.956 910 H ALA 112 H ALA 112 1.795 -7.548 -14.476 911 HA ALA 112 HA ALA 112 4.308 -6.708 -15.321 912 HB1 ALA 112 HB1 ALA 112 3.784 -4.560 -14.282 913 HB2 ALA 112 HB2 ALA 112 2.475 -5.314 -13.372 914 HB3 ALA 112 HB3 ALA 112 2.382 -5.212 -15.130 915 H ARG 113 H ARG 113 3.198 -7.573 -12.111 916 HA ARG 113 HA ARG 113 5.693 -6.800 -10.878 917 HB2 ARG 113 HB2 ARG 113 3.654 -6.338 -9.693 918 HB3 ARG 113 HB3 ARG 113 3.127 -8.003 -9.829 919 HG2 ARG 113 HG2 ARG 113 4.048 -7.033 -7.583 920 HG3 ARG 113 HG3 ARG 113 4.397 -8.691 -8.069 921 HD2 ARG 113 HD2 ARG 113 6.324 -7.442 -7.154 922 HD3 ARG 113 HD3 ARG 113 6.591 -8.102 -8.761 923 HE ARG 113 HE ARG 113 5.750 -5.319 -8.622 924 HH11 ARG 113 HH11 ARG 113 8.376 -7.607 -8.954 925 HH12 ARG 113 HH12 ARG 113 9.497 -6.433 -9.576 926 HH21 ARG 113 HH21 ARG 113 7.219 -3.772 -9.430 927 HH22 ARG 113 HH22 ARG 113 8.836 -4.253 -9.849 928 H ILE 114 H ILE 114 4.227 -9.680 -12.163 929 HA ILE 114 HA ILE 114 6.030 -11.517 -10.908 930 HB ILE 114 HB ILE 114 4.379 -11.838 -13.420 931 HG12 ILE 114 HG12 ILE 114 3.934 -12.890 -10.621 932 HG13 ILE 114 HG13 ILE 114 3.095 -11.506 -11.317 933 HG21 ILE 114 HG21 ILE 114 5.864 -13.923 -11.820 934 HG22 ILE 114 HG22 ILE 114 6.298 -13.356 -13.432 935 HG23 ILE 114 HG23 ILE 114 4.793 -14.242 -13.183 936 HD11 ILE 114 HD11 ILE 114 2.189 -13.008 -13.073 937 HD12 ILE 114 HD12 ILE 114 1.674 -13.432 -11.439 938 HD13 ILE 114 HD13 ILE 114 2.939 -14.368 -12.235 939 H VAL 115 H VAL 115 5.889 -9.998 -14.129 940 HA VAL 115 HA VAL 115 8.140 -11.328 -15.160 941 HB VAL 115 HB VAL 115 8.172 -9.669 -16.947 942 HG11 VAL 115 HG11 VAL 115 5.357 -10.440 -16.186 943 HG12 VAL 115 HG12 VAL 115 6.516 -11.473 -17.018 944 HG13 VAL 115 HG13 VAL 115 5.918 -10.012 -17.802 945 HG21 VAL 115 HG21 VAL 115 6.064 -8.183 -15.381 946 HG22 VAL 115 HG22 VAL 115 6.664 -7.771 -16.987 947 HG23 VAL 115 HG23 VAL 115 7.736 -7.661 -15.591 948 H ASP 116 H ASP 116 7.826 -8.263 -13.442 949 HA ASP 116 HA ASP 116 10.511 -7.427 -13.772 950 HB2 ASP 116 HB2 ASP 116 8.670 -5.913 -13.053 951 HB3 ASP 116 HB3 ASP 116 8.602 -6.770 -11.521 952 H LYS 117 H LYS 117 8.882 -9.519 -11.489 953 HA LYS 117 HA LYS 117 10.967 -9.525 -9.557 954 HB2 LYS 117 HB2 LYS 117 8.578 -10.091 -9.083 955 HB3 LYS 117 HB3 LYS 117 8.808 -11.597 -9.959 956 HG2 LYS 117 HG2 LYS 117 8.950 -11.926 -7.554 957 HG3 LYS 117 HG3 LYS 117 10.479 -12.303 -8.345 958 HD2 LYS 117 HD2 LYS 117 11.387 -10.147 -7.672 959 HD3 LYS 117 HD3 LYS 117 9.842 -9.701 -6.944 960 HE2 LYS 117 HE2 LYS 117 10.045 -11.455 -5.317 961 HE3 LYS 117 HE3 LYS 117 11.491 -12.073 -6.105 962 HZ1 LYS 117 HZ1 LYS 117 11.217 -9.482 -4.695 963 HZ2 LYS 117 HZ2 LYS 117 12.591 -9.950 -5.560 964 HZ3 LYS 117 HZ3 LYS 117 12.116 -10.827 -4.190 965 H LEU 118 H LEU 118 10.239 -11.532 -12.377 966 HA LEU 118 HA LEU 118 12.100 -13.587 -11.891 967 HB2 LEU 118 HB2 LEU 118 11.357 -12.385 -14.553 968 HB3 LEU 118 HB3 LEU 118 12.190 -13.904 -14.315 969 HG LEU 118 HG LEU 118 9.310 -13.253 -13.806 970 HD11 LEU 118 HD11 LEU 118 10.770 -15.417 -15.317 971 HD12 LEU 118 HD12 LEU 118 10.019 -13.986 -16.023 972 HD13 LEU 118 HD13 LEU 118 9.015 -15.210 -15.240 973 HD21 LEU 118 HD21 LEU 118 9.032 -15.395 -12.721 974 HD22 LEU 118 HD22 LEU 118 10.191 -14.433 -11.806 975 HD23 LEU 118 HD23 LEU 118 10.757 -15.728 -12.860 976 H LEU 119 H LEU 119 12.426 -10.480 -13.516 977 HA LEU 119 HA LEU 119 15.099 -10.709 -14.327 978 HB2 LEU 119 HB2 LEU 119 13.262 -8.418 -13.759 979 HB3 LEU 119 HB3 LEU 119 14.962 -8.103 -14.060 980 HG LEU 119 HG LEU 119 13.556 -7.831 -16.084 981 HD11 LEU 119 HD11 LEU 119 14.991 -9.107 -17.589 982 HD12 LEU 119 HD12 LEU 119 15.560 -10.076 -16.228 983 HD13 LEU 119 HD13 LEU 119 15.922 -8.351 -16.295 984 HD21 LEU 119 HD21 LEU 119 12.728 -9.859 -17.232 985 HD22 LEU 119 HD22 LEU 119 11.881 -9.539 -15.720 986 HD23 LEU 119 HD23 LEU 119 13.108 -10.805 -15.793 987 H ALA 120 H ALA 120 13.678 -9.976 -11.270 988 HA ALA 120 HA ALA 120 16.012 -8.790 -10.112 989 HB1 ALA 120 HB1 ALA 120 13.566 -9.865 -8.730 990 HB2 ALA 120 HB2 ALA 120 13.694 -8.253 -9.434 991 HB3 ALA 120 HB3 ALA 120 14.738 -8.713 -8.084 992 H LEU 121 H LEU 121 14.468 -11.971 -10.016 993 HA LEU 121 HA LEU 121 16.417 -13.130 -8.277 994 HB2 LEU 121 HB2 LEU 121 14.238 -14.177 -10.035 995 HB3 LEU 121 HB3 LEU 121 15.435 -15.286 -9.402 996 HG LEU 121 HG LEU 121 14.797 -14.680 -7.121 997 HD11 LEU 121 HD11 LEU 121 12.851 -13.327 -6.676 998 HD12 LEU 121 HD12 LEU 121 12.643 -13.013 -8.399 999 HD13 LEU 121 HD13 LEU 121 14.055 -12.381 -7.550 1000 HD21 LEU 121 HD21 LEU 121 12.590 -15.747 -7.157 1001 HD22 LEU 121 HD22 LEU 121 13.739 -16.561 -8.220 1002 HD23 LEU 121 HD23 LEU 121 12.513 -15.495 -8.903 1003 H GLY 122 H GLY 122 16.226 -12.465 -11.640 1004 HA2 GLY 122 HA2 GLY 122 17.800 -12.776 -13.312 1005 HA3 GLY 122 HA3 GLY 122 18.821 -13.625 -12.153 1006 H LEU 123 H LEU 123 15.467 -14.406 -12.777 1007 HA LEU 123 HA LEU 123 16.153 -17.132 -13.405 1008 HB2 LEU 123 HB2 LEU 123 13.527 -15.654 -13.319 1009 HB3 LEU 123 HB3 LEU 123 13.665 -17.365 -13.687 1010 HG LEU 123 HG LEU 123 14.447 -16.038 -11.091 1011 HD11 LEU 123 HD11 LEU 123 12.168 -17.880 -11.790 1012 HD12 LEU 123 HD12 LEU 123 12.052 -16.172 -11.360 1013 HD13 LEU 123 HD13 LEU 123 12.591 -17.347 -10.164 1014 HD21 LEU 123 HD21 LEU 123 14.543 -18.943 -11.904 1015 HD22 LEU 123 HD22 LEU 123 14.805 -18.328 -10.272 1016 HD23 LEU 123 HD23 LEU 123 15.926 -17.902 -11.563 1017 H VAL 124 H VAL 124 15.408 -14.237 -15.012 1018 HA VAL 124 HA VAL 124 15.898 -15.515 -17.608 1019 HB VAL 124 HB VAL 124 14.259 -13.999 -18.672 1020 HG11 VAL 124 HG11 VAL 124 13.685 -16.336 -18.105 1021 HG12 VAL 124 HG12 VAL 124 12.286 -15.265 -18.099 1022 HG13 VAL 124 HG13 VAL 124 13.013 -15.772 -16.575 1023 HG21 VAL 124 HG21 VAL 124 13.450 -13.383 -15.833 1024 HG22 VAL 124 HG22 VAL 124 12.569 -12.884 -17.275 1025 HG23 VAL 124 HG23 VAL 124 14.190 -12.263 -16.975 1026 H ALA 125 H ALA 125 16.445 -13.862 -19.255 1027 HA ALA 125 HA ALA 125 18.182 -11.816 -18.044 1028 HB1 ALA 125 HB1 ALA 125 18.127 -12.903 -20.860 1029 HB2 ALA 125 HB2 ALA 125 19.267 -13.354 -19.593 1030 HB3 ALA 125 HB3 ALA 125 19.272 -11.714 -20.240 1031 H GLU 126 H GLU 126 15.279 -12.241 -19.752 1032 HA GLU 126 HA GLU 126 14.753 -9.413 -19.869 1033 HB2 GLU 126 HB2 GLU 126 14.391 -9.350 -22.285 1034 HB3 GLU 126 HB3 GLU 126 16.065 -9.745 -21.915 1035 HG2 GLU 126 HG2 GLU 126 15.588 -12.111 -22.312 1036 HG3 GLU 126 HG3 GLU 126 13.920 -11.706 -22.694 1037 H ARG 127 H ARG 127 12.537 -9.171 -21.176 1038 HA ARG 127 HA ARG 127 10.698 -10.906 -19.809 1039 HB2 ARG 127 HB2 ARG 127 10.458 -8.457 -21.483 1040 HB3 ARG 127 HB3 ARG 127 9.042 -9.478 -21.302 1041 HG2 ARG 127 HG2 ARG 127 9.006 -7.695 -19.681 1042 HG3 ARG 127 HG3 ARG 127 9.181 -9.249 -18.876 1043 HD2 ARG 127 HD2 ARG 127 10.630 -7.574 -17.868 1044 HD3 ARG 127 HD3 ARG 127 11.580 -8.847 -18.631 1045 HE ARG 127 HE ARG 127 11.505 -7.033 -20.583 1046 HH11 ARG 127 HH11 ARG 127 12.097 -6.593 -17.157 1047 HH12 ARG 127 HH12 ARG 127 13.219 -5.295 -17.388 1048 HH21 ARG 127 HH21 ARG 127 12.991 -5.329 -20.889 1049 HH22 ARG 127 HH22 ARG 127 13.719 -4.566 -19.510 1050 H ARG 128 H ARG 128 12.030 -10.711 -22.973 1051 HA ARG 128 HA ARG 128 10.128 -11.964 -24.548 1052 HB2 ARG 128 HB2 ARG 128 11.856 -11.048 -25.733 1053 HB3 ARG 128 HB3 ARG 128 13.078 -11.634 -24.623 1054 HG2 ARG 128 HG2 ARG 128 12.797 -13.901 -25.569 1055 HG3 ARG 128 HG3 ARG 128 11.655 -13.230 -26.741 1056 HD2 ARG 128 HD2 ARG 128 13.337 -11.815 -27.676 1057 HD3 ARG 128 HD3 ARG 128 14.470 -12.221 -26.392 1058 HE ARG 128 HE ARG 128 13.536 -14.298 -28.254 1059 HH11 ARG 128 HH11 ARG 128 16.115 -12.420 -26.807 1060 HH12 ARG 128 HH12 ARG 128 17.375 -13.295 -27.609 1061 HH21 ARG 128 HH21 ARG 128 15.202 -15.470 -29.301 1062 HH22 ARG 128 HH22 ARG 128 16.858 -15.036 -29.022 1063 H GLU 129 H GLU 129 12.439 -13.450 -22.330 1064 HA GLU 129 HA GLU 129 12.190 -16.071 -23.381 1065 HB2 GLU 129 HB2 GLU 129 13.044 -15.237 -20.610 1066 HB3 GLU 129 HB3 GLU 129 13.323 -16.798 -21.364 1067 HG2 GLU 129 HG2 GLU 129 14.612 -15.563 -23.148 1068 HG3 GLU 129 HG3 GLU 129 14.523 -14.151 -22.096 1069 H LEU 130 H LEU 130 10.277 -14.214 -21.201 1070 HA LEU 130 HA LEU 130 8.859 -16.606 -20.303 1071 HB2 LEU 130 HB2 LEU 130 7.654 -14.779 -18.854 1072 HB3 LEU 130 HB3 LEU 130 9.215 -15.424 -18.390 1073 HG LEU 130 HG LEU 130 9.125 -12.943 -20.053 1074 HD11 LEU 130 HD11 LEU 130 7.531 -12.455 -18.330 1075 HD12 LEU 130 HD12 LEU 130 9.041 -11.620 -17.964 1076 HD13 LEU 130 HD13 LEU 130 8.610 -13.090 -17.090 1077 HD21 LEU 130 HD21 LEU 130 10.935 -13.907 -17.833 1078 HD22 LEU 130 HD22 LEU 130 11.168 -12.452 -18.799 1079 HD23 LEU 130 HD23 LEU 130 11.273 -14.041 -19.561 1080 H TYR 131 H TYR 131 8.749 -14.934 -22.904 1081 HA TYR 131 HA TYR 131 5.814 -15.068 -23.065 1082 HB2 TYR 131 HB2 TYR 131 7.666 -13.314 -24.708 1083 HB3 TYR 131 HB3 TYR 131 5.925 -13.437 -24.922 1084 HD1 TYR 131 HD1 TYR 131 7.873 -11.021 -24.191 1085 HD2 TYR 131 HD2 TYR 131 5.145 -13.428 -21.990 1086 HE1 TYR 131 HE1 TYR 131 7.549 -9.183 -22.588 1087 HE2 TYR 131 HE2 TYR 131 4.816 -11.604 -20.385 1088 HH TYR 131 HH TYR 131 5.966 -9.623 -19.598 1089 H LYS 132 H LYS 132 5.614 -17.098 -23.719 1090 HA LYS 132 HA LYS 132 7.620 -18.600 -24.853 1091 HB2 LYS 132 HB2 LYS 132 4.656 -19.095 -24.759 1092 HB3 LYS 132 HB3 LYS 132 5.824 -20.298 -25.280 1093 HG2 LYS 132 HG2 LYS 132 5.866 -18.972 -22.578 1094 HG3 LYS 132 HG3 LYS 132 5.096 -20.523 -22.910 1095 HD2 LYS 132 HD2 LYS 132 8.028 -19.904 -23.318 1096 HD3 LYS 132 HD3 LYS 132 7.349 -20.783 -21.948 1097 HE2 LYS 132 HE2 LYS 132 6.498 -22.498 -23.493 1098 HE3 LYS 132 HE3 LYS 132 7.222 -21.627 -24.845 1099 HZ1 LYS 132 HZ1 LYS 132 8.586 -23.492 -24.039 1100 HZ2 LYS 132 HZ2 LYS 132 8.747 -22.718 -22.543 1101 HZ3 LYS 132 HZ3 LYS 132 9.388 -22.008 -23.938 1102 H LYS 133 H LYS 133 8.537 -18.054 -26.687 1103 HA LYS 133 HA LYS 133 6.987 -17.819 -29.121 1104 HB2 LYS 133 HB2 LYS 133 9.980 -18.030 -28.706 1105 HB3 LYS 133 HB3 LYS 133 9.187 -17.671 -30.232 1106 HG2 LYS 133 HG2 LYS 133 9.120 -15.951 -27.763 1107 HG3 LYS 133 HG3 LYS 133 10.092 -15.662 -29.207 1108 HD2 LYS 133 HD2 LYS 133 8.040 -15.460 -30.534 1109 HD3 LYS 133 HD3 LYS 133 7.076 -15.732 -29.082 1110 HE2 LYS 133 HE2 LYS 133 8.117 -13.714 -28.081 1111 HE3 LYS 133 HE3 LYS 133 8.929 -13.416 -29.619 1112 HZ1 LYS 133 HZ1 LYS 133 6.917 -12.121 -29.462 1113 HZ2 LYS 133 HZ2 LYS 133 5.997 -13.510 -29.179 1114 HZ3 LYS 133 HZ3 LYS 133 6.746 -13.285 -30.678 1115 H ARG 134 H ARG 134 6.760 -19.449 -30.633 1116 HA ARG 134 HA ARG 134 7.129 -22.110 -29.759 1117 HB2 ARG 134 HB2 ARG 134 6.310 -22.841 -31.915 1118 HB3 ARG 134 HB3 ARG 134 5.320 -21.525 -31.316 1119 HG2 ARG 134 HG2 ARG 134 7.488 -21.190 -33.383 1120 HG3 ARG 134 HG3 ARG 134 5.793 -21.481 -33.767 1121 HD2 ARG 134 HD2 ARG 134 5.322 -19.406 -32.330 1122 HD3 ARG 134 HD3 ARG 134 7.050 -19.082 -32.480 1123 HE ARG 134 HE ARG 134 6.382 -19.387 -35.032 1124 HH11 ARG 134 HH11 ARG 134 4.820 -17.576 -32.467 1125 HH12 ARG 134 HH12 ARG 134 4.146 -16.395 -33.539 1126 HH21 ARG 134 HH21 ARG 134 5.508 -17.829 -36.440 1127 HH22 ARG 134 HH22 ARG 134 4.545 -16.533 -35.803 1128 H GLN 135 H GLN 135 9.335 -21.959 -29.186 1129 HA GLN 135 HA GLN 135 11.054 -22.803 -31.393 1130 HB2 GLN 135 HB2 GLN 135 12.979 -21.694 -30.232 1131 HB3 GLN 135 HB3 GLN 135 11.803 -20.583 -30.915 1132 HG2 GLN 135 HG2 GLN 135 10.822 -20.281 -28.678 1133 HG3 GLN 135 HG3 GLN 135 12.054 -21.353 -28.013 1134 HE21 GLN 135 HE21 GLN 135 12.879 -19.731 -26.675 1135 HE22 GLN 135 HE22 GLN 135 13.830 -18.431 -27.302 1136 H LYS 136 H LYS 136 11.394 -24.920 -31.041 1137 HA LYS 136 HA LYS 136 11.760 -25.795 -28.278 1138 HB2 LYS 136 HB2 LYS 136 11.184 -27.290 -30.804 1139 HB3 LYS 136 HB3 LYS 136 11.881 -28.122 -29.422 1140 HG2 LYS 136 HG2 LYS 136 9.923 -27.090 -28.097 1141 HG3 LYS 136 HG3 LYS 136 9.198 -26.834 -29.685 1142 HD2 LYS 136 HD2 LYS 136 9.372 -29.205 -30.174 1143 HD3 LYS 136 HD3 LYS 136 10.173 -29.487 -28.632 1144 HE2 LYS 136 HE2 LYS 136 7.849 -30.122 -28.474 1145 HE3 LYS 136 HE3 LYS 136 8.148 -28.706 -27.468 1146 HZ1 LYS 136 HZ1 LYS 136 6.095 -28.523 -28.742 1147 HZ2 LYS 136 HZ2 LYS 136 6.962 -28.645 -30.187 1148 HZ3 LYS 136 HZ3 LYS 136 7.196 -27.316 -29.169 1149 H LYS 137 H LYS 137 13.684 -24.536 -28.288 1150 HA LYS 137 HA LYS 137 15.960 -26.253 -28.695 1151 HB2 LYS 137 HB2 LYS 137 17.332 -24.412 -29.675 1152 HB3 LYS 137 HB3 LYS 137 16.084 -25.005 -30.752 1153 HG2 LYS 137 HG2 LYS 137 16.033 -22.701 -31.039 1154 HG3 LYS 137 HG3 LYS 137 14.689 -23.018 -29.946 1155 HD2 LYS 137 HD2 LYS 137 15.913 -21.066 -29.203 1156 HD3 LYS 137 HD3 LYS 137 16.120 -22.377 -28.042 1157 HE2 LYS 137 HE2 LYS 137 18.231 -21.251 -28.400 1158 HE3 LYS 137 HE3 LYS 137 18.312 -22.888 -29.038 1159 HZ1 LYS 137 HZ1 LYS 137 17.862 -20.435 -30.646 1160 HZ2 LYS 137 HZ2 LYS 137 17.977 -22.008 -31.259 1161 HZ3 LYS 137 HZ3 LYS 137 19.320 -21.281 -30.535 1162 H LEU 138 H LEU 138 17.728 -25.622 -27.274 1163 HA LEU 138 HA LEU 138 17.000 -25.082 -24.712 1164 HB2 LEU 138 HB2 LEU 138 19.617 -24.280 -25.984 1165 HB3 LEU 138 HB3 LEU 138 19.340 -24.466 -24.264 1166 HG LEU 138 HG LEU 138 19.176 -26.694 -26.300 1167 HD11 LEU 138 HD11 LEU 138 21.244 -27.497 -25.286 1168 HD12 LEU 138 HD12 LEU 138 21.294 -26.075 -24.245 1169 HD13 LEU 138 HD13 LEU 138 21.460 -25.894 -25.990 1170 HD21 LEU 138 HD21 LEU 138 19.085 -28.156 -24.327 1171 HD22 LEU 138 HD22 LEU 138 17.692 -27.078 -24.416 1172 HD23 LEU 138 HD23 LEU 138 19.004 -26.733 -23.288 1173 H ALA 139 H ALA 139 15.780 -23.458 -24.071 1174 HA ALA 139 HA ALA 139 15.843 -20.923 -25.405 1175 HB1 ALA 139 HB1 ALA 139 14.197 -21.767 -23.029 1176 HB2 ALA 139 HB2 ALA 139 13.729 -21.971 -24.716 1177 HB3 ALA 139 HB3 ALA 139 13.929 -20.351 -24.046 1178 H SER 140 H SER 140 18.000 -20.327 -24.833 1179 HA SER 140 HA SER 140 17.966 -18.807 -22.321 1180 HB2 SER 140 HB2 SER 140 20.412 -20.107 -23.554 1181 HB3 SER 140 HB3 SER 140 20.354 -19.191 -22.047 1182 HG SER 140 HG SER 140 18.514 -21.084 -21.900 1183 H SER 141 H SER 141 17.770 -16.745 -22.880 1184 HA SER 141 HA SER 141 18.794 -15.890 -25.490 1185 HB2 SER 141 HB2 SER 141 16.993 -14.354 -23.603 1186 HB3 SER 141 HB3 SER 141 17.273 -14.039 -25.317 1187 HG SER 141 HG SER 141 15.955 -16.263 -24.150 Start of MODEL 19 1 H1 ASP 1 HT1 ASP 1 -22.135 11.296 -5.866 2 H2 ASP 1 HT2 ASP 1 -20.789 11.018 -4.880 3 H3 ASP 1 HT3 ASP 1 -21.521 9.726 -5.683 4 HA ASP 1 HA ASP 1 -20.057 11.980 -6.897 5 HB2 ASP 1 HB2 ASP 1 -19.186 9.266 -7.541 6 HB3 ASP 1 HB3 ASP 1 -18.242 10.656 -7.017 7 HA PRO 2 HA PRO 2 -21.553 9.472 -10.594 8 HB2 PRO 2 HB2 PRO 2 -22.990 7.215 -10.382 9 HB3 PRO 2 HB3 PRO 2 -21.232 7.233 -10.196 10 HG2 PRO 2 HG2 PRO 2 -23.356 7.095 -8.111 11 HG3 PRO 2 HG3 PRO 2 -21.788 6.276 -8.171 12 HD2 PRO 2 HD2 PRO 2 -22.341 8.560 -6.708 13 HD3 PRO 2 HD3 PRO 2 -20.721 8.029 -7.194 14 H SER 3 H SER 3 -24.139 9.120 -8.146 15 HA SER 3 HA SER 3 -26.016 10.187 -10.141 16 HB2 SER 3 HB2 SER 3 -26.579 7.953 -9.269 17 HB3 SER 3 HB3 SER 3 -26.600 8.596 -7.630 18 HG SER 3 HG SER 3 -28.235 9.692 -9.656 19 H ARG 4 H ARG 4 -25.412 10.301 -6.621 20 HA ARG 4 HA ARG 4 -26.303 13.109 -6.677 21 HB2 ARG 4 HB2 ARG 4 -26.731 11.111 -4.447 22 HB3 ARG 4 HB3 ARG 4 -27.185 12.806 -4.399 23 HG2 ARG 4 HG2 ARG 4 -28.750 12.397 -6.275 24 HG3 ARG 4 HG3 ARG 4 -28.337 10.682 -6.194 25 HD2 ARG 4 HD2 ARG 4 -29.103 10.617 -3.867 26 HD3 ARG 4 HD3 ARG 4 -29.541 12.320 -3.967 27 HE ARG 4 HE ARG 4 -30.822 10.762 -5.987 28 HH11 ARG 4 HH11 ARG 4 -30.973 11.746 -2.631 29 HH12 ARG 4 HH12 ARG 4 -32.669 11.416 -2.473 30 HH21 ARG 4 HH21 ARG 4 -33.071 10.325 -5.787 31 HH22 ARG 4 HH22 ARG 4 -33.859 10.597 -4.265 32 H ARG 5 H ARG 5 -25.539 14.223 -4.552 33 HA ARG 5 HA ARG 5 -22.722 14.127 -4.372 34 HB2 ARG 5 HB2 ARG 5 -24.203 16.096 -3.824 35 HB3 ARG 5 HB3 ARG 5 -24.659 15.270 -2.345 36 HG2 ARG 5 HG2 ARG 5 -21.780 15.809 -2.932 37 HG3 ARG 5 HG3 ARG 5 -22.814 17.086 -2.294 38 HD2 ARG 5 HD2 ARG 5 -22.343 14.393 -1.019 39 HD3 ARG 5 HD3 ARG 5 -21.604 15.913 -0.518 40 HE ARG 5 HE ARG 5 -24.500 15.895 -0.534 41 HH11 ARG 5 HH11 ARG 5 -21.588 15.413 1.342 42 HH12 ARG 5 HH12 ARG 5 -22.387 15.610 2.870 43 HH21 ARG 5 HH21 ARG 5 -25.555 16.144 1.496 44 HH22 ARG 5 HH22 ARG 5 -24.626 16.026 2.958 45 H ALA 6 H ALA 6 -21.412 12.922 -3.125 46 HA ALA 6 HA ALA 6 -22.286 10.508 -2.076 47 HB1 ALA 6 HB1 ALA 6 -19.998 10.854 -2.780 48 HB2 ALA 6 HB2 ALA 6 -20.044 10.293 -1.107 49 HB3 ALA 6 HB3 ALA 6 -19.742 11.994 -1.460 50 HA PRO 7 HA PRO 7 -24.081 11.735 1.859 51 HB2 PRO 7 HB2 PRO 7 -23.832 8.806 2.251 52 HB3 PRO 7 HB3 PRO 7 -25.248 9.846 2.440 53 HG2 PRO 7 HG2 PRO 7 -25.010 8.202 0.351 54 HG3 PRO 7 HG3 PRO 7 -25.733 9.815 0.177 55 HD2 PRO 7 HD2 PRO 7 -23.020 8.848 -0.609 56 HD3 PRO 7 HD3 PRO 7 -24.089 10.010 -1.421 57 H THR 8 H THR 8 -23.593 10.972 4.186 58 HA THR 8 HA THR 8 -20.683 10.772 4.504 59 HB THR 8 HB THR 8 -22.732 11.691 6.531 60 HG1 THR 8 HG1 THR 8 -21.217 13.050 4.574 61 HG21 THR 8 HG21 THR 8 -19.720 11.947 6.504 62 HG22 THR 8 HG22 THR 8 -20.645 10.836 7.513 63 HG23 THR 8 HG23 THR 8 -20.806 12.576 7.742 64 H TRP 9 H TRP 9 -19.847 8.949 5.295 65 HA TRP 9 HA TRP 9 -21.560 6.783 6.075 66 HB2 TRP 9 HB2 TRP 9 -18.563 7.085 5.931 67 HB3 TRP 9 HB3 TRP 9 -19.334 5.626 6.542 68 HD1 TRP 9 HD1 TRP 9 -18.868 7.624 3.301 69 HE1 TRP 9 HE1 TRP 9 -19.359 6.068 1.313 70 HE3 TRP 9 HE3 TRP 9 -20.579 3.542 5.856 71 HZ2 TRP 9 HZ2 TRP 9 -20.333 3.461 0.878 72 HZ3 TRP 9 HZ3 TRP 9 -21.272 1.557 4.574 73 HH2 TRP 9 HH2 TRP 9 -21.151 1.518 2.140 74 H SER 10 H SER 10 -22.577 7.169 7.959 75 HA SER 10 HA SER 10 -21.338 8.127 10.316 76 HB2 SER 10 HB2 SER 10 -23.781 6.349 10.086 77 HB3 SER 10 HB3 SER 10 -23.377 7.428 11.420 78 HG SER 10 HG SER 10 -24.744 8.623 10.249 79 HA PRO 11 HA PRO 11 -18.948 4.725 11.857 80 HB2 PRO 11 HB2 PRO 11 -20.649 4.963 14.308 81 HB3 PRO 11 HB3 PRO 11 -18.888 4.850 14.167 82 HG2 PRO 11 HG2 PRO 11 -20.027 7.197 14.633 83 HG3 PRO 11 HG3 PRO 11 -18.671 7.073 13.500 84 HD2 PRO 11 HD2 PRO 11 -21.578 7.429 12.946 85 HD3 PRO 11 HD3 PRO 11 -20.172 8.064 12.067 86 H GLU 12 H GLU 12 -22.423 4.538 12.657 87 HA GLU 12 HA GLU 12 -22.585 1.754 12.949 88 HB2 GLU 12 HB2 GLU 12 -24.799 3.406 11.743 89 HB3 GLU 12 HB3 GLU 12 -24.937 1.957 12.723 90 HG2 GLU 12 HG2 GLU 12 -25.565 3.594 14.198 91 HG3 GLU 12 HG3 GLU 12 -23.851 3.413 14.570 92 H GLU 13 H GLU 13 -22.862 3.806 10.098 93 HA GLU 13 HA GLU 13 -23.654 1.704 8.349 94 HB2 GLU 13 HB2 GLU 13 -23.976 4.277 8.103 95 HB3 GLU 13 HB3 GLU 13 -22.362 4.245 7.409 96 HG2 GLU 13 HG2 GLU 13 -24.025 4.165 5.664 97 HG3 GLU 13 HG3 GLU 13 -23.127 2.647 5.718 98 H GLU 14 H GLU 14 -20.585 3.148 9.282 99 HA GLU 14 HA GLU 14 -19.010 1.744 7.363 100 HB2 GLU 14 HB2 GLU 14 -18.210 2.912 10.036 101 HB3 GLU 14 HB3 GLU 14 -17.094 2.342 8.803 102 HG2 GLU 14 HG2 GLU 14 -18.043 4.043 7.254 103 HG3 GLU 14 HG3 GLU 14 -18.982 4.673 8.609 104 H ALA 15 H ALA 15 -20.117 1.063 10.634 105 HA ALA 15 HA ALA 15 -18.707 -1.380 10.963 106 HB1 ALA 15 HB1 ALA 15 -21.322 -0.531 12.208 107 HB2 ALA 15 HB2 ALA 15 -19.718 -0.160 12.843 108 HB3 ALA 15 HB3 ALA 15 -20.274 -1.834 12.769 109 H HIS 16 H HIS 16 -21.637 -0.475 9.385 110 HA HIS 16 HA HIS 16 -22.546 -3.119 8.824 111 HB2 HIS 16 HB2 HIS 16 -24.149 -1.293 8.971 112 HB3 HIS 16 HB3 HIS 16 -23.332 -0.434 7.672 113 HD1 HIS 16 HD1 HIS 16 -25.122 -0.408 5.936 114 HD2 HIS 16 HD2 HIS 16 -24.470 -4.212 7.495 115 HE1 HIS 16 HE1 HIS 16 -26.464 -1.985 4.497 116 HE2 HIS 16 HE2 HIS 16 -26.136 -4.259 5.520 117 H LEU 17 H LEU 17 -20.600 -0.680 7.248 118 HA LEU 17 HA LEU 17 -20.327 -1.801 4.710 119 HB2 LEU 17 HB2 LEU 17 -19.456 0.407 5.349 120 HB3 LEU 17 HB3 LEU 17 -18.268 -0.357 6.386 121 HG LEU 17 HG LEU 17 -17.369 -1.479 4.282 122 HD11 LEU 17 HD11 LEU 17 -19.192 -1.152 2.788 123 HD12 LEU 17 HD12 LEU 17 -17.830 -0.200 2.201 124 HD13 LEU 17 HD13 LEU 17 -19.158 0.592 3.044 125 HD21 LEU 17 HD21 LEU 17 -17.201 1.516 4.526 126 HD22 LEU 17 HD22 LEU 17 -16.054 0.476 3.680 127 HD23 LEU 17 HD23 LEU 17 -16.239 0.347 5.429 128 H ARG 18 H ARG 18 -18.285 -2.240 7.588 129 HA ARG 18 HA ARG 18 -16.827 -4.403 6.463 130 HB2 ARG 18 HB2 ARG 18 -15.899 -4.701 8.711 131 HB3 ARG 18 HB3 ARG 18 -15.860 -3.012 8.230 132 HG2 ARG 18 HG2 ARG 18 -18.024 -2.756 9.536 133 HG3 ARG 18 HG3 ARG 18 -17.665 -4.346 10.211 134 HD2 ARG 18 HD2 ARG 18 -15.860 -1.935 10.350 135 HD3 ARG 18 HD3 ARG 18 -16.888 -2.514 11.656 136 HE ARG 18 HE ARG 18 -15.325 -4.661 11.001 137 HH11 ARG 18 HH11 ARG 18 -14.698 -1.354 11.926 138 HH12 ARG 18 HH12 ARG 18 -13.245 -1.727 12.794 139 HH21 ARG 18 HH21 ARG 18 -13.376 -5.170 12.110 140 HH22 ARG 18 HH22 ARG 18 -12.485 -3.901 12.890 141 H GLU 19 H GLU 19 -19.779 -4.077 8.279 142 HA GLU 19 HA GLU 19 -20.214 -6.609 9.241 143 HB2 GLU 19 HB2 GLU 19 -21.784 -4.830 9.661 144 HB3 GLU 19 HB3 GLU 19 -22.161 -4.713 7.948 145 HG2 GLU 19 HG2 GLU 19 -23.954 -5.819 9.045 146 HG3 GLU 19 HG3 GLU 19 -23.101 -6.983 8.039 147 H LEU 20 H LEU 20 -20.930 -5.341 6.032 148 HA LEU 20 HA LEU 20 -21.913 -7.800 4.976 149 HB2 LEU 20 HB2 LEU 20 -22.018 -5.130 4.310 150 HB3 LEU 20 HB3 LEU 20 -20.962 -5.786 3.076 151 HG LEU 20 HG LEU 20 -23.666 -6.970 3.656 152 HD11 LEU 20 HD11 LEU 20 -22.976 -4.829 1.650 153 HD12 LEU 20 HD12 LEU 20 -23.935 -4.600 3.110 154 HD13 LEU 20 HD13 LEU 20 -24.530 -5.640 1.820 155 HD21 LEU 20 HD21 LEU 20 -21.855 -7.067 1.249 156 HD22 LEU 20 HD22 LEU 20 -23.438 -7.832 1.385 157 HD23 LEU 20 HD23 LEU 20 -22.108 -8.370 2.409 158 H TYR 21 H TYR 21 -18.820 -6.187 5.098 159 HA TYR 21 HA TYR 21 -17.514 -7.706 3.080 160 HB2 TYR 21 HB2 TYR 21 -16.596 -5.563 3.774 161 HB3 TYR 21 HB3 TYR 21 -16.420 -6.136 5.428 162 HD1 TYR 21 HD1 TYR 21 -14.356 -6.914 6.114 163 HD2 TYR 21 HD2 TYR 21 -15.277 -6.984 1.964 164 HE1 TYR 21 HE1 TYR 21 -12.068 -7.670 5.625 165 HE2 TYR 21 HE2 TYR 21 -12.995 -7.739 1.464 166 HH TYR 21 HH TYR 21 -10.811 -7.753 2.420 167 H LEU 22 H LEU 22 -17.532 -7.847 6.610 168 HA LEU 22 HA LEU 22 -15.825 -10.080 6.842 169 HB2 LEU 22 HB2 LEU 22 -17.931 -9.177 8.801 170 HB3 LEU 22 HB3 LEU 22 -16.494 -10.110 9.156 171 HG LEU 22 HG LEU 22 -16.524 -7.240 8.229 172 HD11 LEU 22 HD11 LEU 22 -15.779 -6.706 10.482 173 HD12 LEU 22 HD12 LEU 22 -15.931 -8.403 10.943 174 HD13 LEU 22 HD13 LEU 22 -17.364 -7.477 10.496 175 HD21 LEU 22 HD21 LEU 22 -14.215 -8.926 9.170 176 HD22 LEU 22 HD22 LEU 22 -14.159 -7.230 8.685 177 HD23 LEU 22 HD23 LEU 22 -14.535 -8.476 7.495 178 H ALA 23 H ALA 23 -19.170 -9.780 6.122 179 HA ALA 23 HA ALA 23 -19.963 -12.394 6.950 180 HB1 ALA 23 HB1 ALA 23 -21.549 -10.527 6.761 181 HB2 ALA 23 HB2 ALA 23 -22.045 -11.918 5.796 182 HB3 ALA 23 HB3 ALA 23 -21.313 -10.518 5.012 183 H ASN 24 H ASN 24 -18.799 -11.005 3.906 184 HA ASN 24 HA ASN 24 -19.039 -13.689 2.708 185 HB2 ASN 24 HB2 ASN 24 -19.202 -11.003 1.324 186 HB3 ASN 24 HB3 ASN 24 -19.313 -12.571 0.534 187 HD21 ASN 24 HD21 ASN 24 -20.920 -10.255 2.560 188 HD22 ASN 24 HD22 ASN 24 -22.494 -10.968 2.475 189 H LYS 25 H LYS 25 -16.737 -12.126 4.117 190 HA LYS 25 HA LYS 25 -14.824 -11.595 2.061 191 HB2 LYS 25 HB2 LYS 25 -13.222 -11.249 3.847 192 HB3 LYS 25 HB3 LYS 25 -14.741 -10.473 4.265 193 HG2 LYS 25 HG2 LYS 25 -15.298 -12.304 5.759 194 HG3 LYS 25 HG3 LYS 25 -13.817 -13.146 5.301 195 HD2 LYS 25 HD2 LYS 25 -13.922 -10.437 6.625 196 HD3 LYS 25 HD3 LYS 25 -13.639 -11.956 7.469 197 HE2 LYS 25 HE2 LYS 25 -11.895 -10.745 5.323 198 HE3 LYS 25 HE3 LYS 25 -11.540 -10.801 7.046 199 HZ1 LYS 25 HZ1 LYS 25 -11.635 -13.279 6.835 200 HZ2 LYS 25 HZ2 LYS 25 -10.343 -12.542 6.035 201 HZ3 LYS 25 HZ3 LYS 25 -11.679 -13.079 5.154 202 H ASP 26 H ASP 26 -15.795 -14.419 3.719 203 HA ASP 26 HA ASP 26 -13.285 -15.813 3.159 204 HB2 ASP 26 HB2 ASP 26 -14.294 -17.668 4.482 205 HB3 ASP 26 HB3 ASP 26 -14.150 -16.162 5.382 206 H VAL 27 H VAL 27 -15.872 -15.101 1.410 207 HA VAL 27 HA VAL 27 -16.310 -17.737 0.248 208 HB VAL 27 HB VAL 27 -17.492 -15.086 -0.615 209 HG11 VAL 27 HG11 VAL 27 -18.300 -17.932 -1.205 210 HG12 VAL 27 HG12 VAL 27 -17.579 -16.794 -2.343 211 HG13 VAL 27 HG13 VAL 27 -19.194 -16.496 -1.699 212 HG21 VAL 27 HG21 VAL 27 -18.104 -15.575 1.699 213 HG22 VAL 27 HG22 VAL 27 -18.649 -17.183 1.224 214 HG23 VAL 27 HG23 VAL 27 -19.495 -15.754 0.629 215 H GLU 28 H GLU 28 -14.771 -18.414 -1.091 216 HA GLU 28 HA GLU 28 -13.172 -16.493 -2.575 217 HB2 GLU 28 HB2 GLU 28 -12.926 -19.494 -2.315 218 HB3 GLU 28 HB3 GLU 28 -11.790 -18.460 -3.172 219 HG2 GLU 28 HG2 GLU 28 -11.303 -17.283 -1.075 220 HG3 GLU 28 HG3 GLU 28 -12.412 -18.361 -0.228 221 H GLY 29 H GLY 29 -13.195 -16.223 -4.735 222 HA2 GLY 29 HA2 GLY 29 -13.771 -16.705 -6.969 223 HA3 GLY 29 HA3 GLY 29 -14.828 -17.992 -6.397 224 H GLN 30 H GLN 30 -14.978 -14.995 -4.787 225 HA GLN 30 HA GLN 30 -17.395 -14.222 -6.253 226 HB2 GLN 30 HB2 GLN 30 -18.285 -15.353 -4.388 227 HB3 GLN 30 HB3 GLN 30 -17.061 -14.720 -3.303 228 HG2 GLN 30 HG2 GLN 30 -18.799 -12.696 -4.531 229 HG3 GLN 30 HG3 GLN 30 -19.606 -13.820 -3.439 230 HE21 GLN 30 HE21 GLN 30 -19.985 -12.116 -1.972 231 HE22 GLN 30 HE22 GLN 30 -18.722 -11.487 -0.983 232 H ASP 31 H ASP 31 -17.754 -12.028 -6.410 233 HA ASP 31 HA ASP 31 -15.597 -10.236 -5.765 234 HB2 ASP 31 HB2 ASP 31 -18.388 -9.720 -6.818 235 HB3 ASP 31 HB3 ASP 31 -17.184 -8.460 -6.578 236 H VAL 32 H VAL 32 -15.380 -10.191 -3.525 237 HA VAL 32 HA VAL 32 -17.527 -9.896 -1.729 238 HB VAL 32 HB VAL 32 -15.087 -10.539 -1.202 239 HG11 VAL 32 HG11 VAL 32 -13.655 -8.688 -0.434 240 HG12 VAL 32 HG12 VAL 32 -14.834 -7.539 -1.074 241 HG13 VAL 32 HG13 VAL 32 -13.976 -8.626 -2.167 242 HG21 VAL 32 HG21 VAL 32 -15.267 -9.673 1.107 243 HG22 VAL 32 HG22 VAL 32 -16.771 -10.378 0.521 244 HG23 VAL 32 HG23 VAL 32 -16.587 -8.624 0.585 245 H VAL 33 H VAL 33 -15.754 -7.689 -3.693 246 HA VAL 33 HA VAL 33 -16.419 -5.248 -2.514 247 HB VAL 33 HB VAL 33 -16.284 -5.466 -5.478 248 HG11 VAL 33 HG11 VAL 33 -15.028 -3.601 -3.487 249 HG12 VAL 33 HG12 VAL 33 -16.462 -3.291 -4.461 250 HG13 VAL 33 HG13 VAL 33 -14.890 -3.470 -5.240 251 HG21 VAL 33 HG21 VAL 33 -14.011 -6.148 -3.643 252 HG22 VAL 33 HG22 VAL 33 -13.754 -5.553 -5.282 253 HG23 VAL 33 HG23 VAL 33 -14.628 -7.062 -5.019 254 H GLU 34 H GLU 34 -17.882 -6.835 -5.357 255 HA GLU 34 HA GLU 34 -20.011 -5.034 -5.622 256 HB2 GLU 34 HB2 GLU 34 -19.170 -6.701 -7.342 257 HB3 GLU 34 HB3 GLU 34 -20.080 -7.926 -6.469 258 HG2 GLU 34 HG2 GLU 34 -21.446 -7.247 -8.255 259 HG3 GLU 34 HG3 GLU 34 -22.117 -6.490 -6.813 260 H ALA 35 H ALA 35 -19.663 -7.994 -3.773 261 HA ALA 35 HA ALA 35 -22.275 -8.432 -2.947 262 HB1 ALA 35 HB1 ALA 35 -20.454 -9.942 -2.372 263 HB2 ALA 35 HB2 ALA 35 -21.302 -9.426 -0.914 264 HB3 ALA 35 HB3 ALA 35 -19.742 -8.714 -1.327 265 H ILE 36 H ILE 36 -19.818 -6.287 -1.589 266 HA ILE 36 HA ILE 36 -21.555 -5.207 0.401 267 HB ILE 36 HB ILE 36 -18.977 -4.042 -0.648 268 HG12 ILE 36 HG12 ILE 36 -19.376 -5.854 1.737 269 HG13 ILE 36 HG13 ILE 36 -18.843 -6.429 0.159 270 HG21 ILE 36 HG21 ILE 36 -20.319 -2.482 0.657 271 HG22 ILE 36 HG22 ILE 36 -18.877 -2.961 1.553 272 HG23 ILE 36 HG23 ILE 36 -20.444 -3.661 1.962 273 HD11 ILE 36 HD11 ILE 36 -16.871 -5.019 0.306 274 HD12 ILE 36 HD12 ILE 36 -16.981 -6.121 1.677 275 HD13 ILE 36 HD13 ILE 36 -17.409 -4.422 1.877 276 H LEU 37 H LEU 37 -20.112 -3.846 -2.565 277 HA LEU 37 HA LEU 37 -21.164 -1.309 -2.537 278 HB2 LEU 37 HB2 LEU 37 -21.181 -2.874 -5.090 279 HB3 LEU 37 HB3 LEU 37 -20.867 -1.178 -4.868 280 HG LEU 37 HG LEU 37 -18.973 -3.342 -3.968 281 HD11 LEU 37 HD11 LEU 37 -19.203 -3.511 -6.360 282 HD12 LEU 37 HD12 LEU 37 -17.675 -2.718 -5.990 283 HD13 LEU 37 HD13 LEU 37 -19.054 -1.765 -6.535 284 HD21 LEU 37 HD21 LEU 37 -18.745 -1.178 -2.861 285 HD22 LEU 37 HD22 LEU 37 -18.595 -0.397 -4.434 286 HD23 LEU 37 HD23 LEU 37 -17.364 -1.539 -3.896 287 H ALA 38 H ALA 38 -22.734 -4.242 -3.680 288 HA ALA 38 HA ALA 38 -24.955 -2.744 -4.773 289 HB1 ALA 38 HB1 ALA 38 -25.632 -4.847 -5.735 290 HB2 ALA 38 HB2 ALA 38 -24.404 -5.693 -4.790 291 HB3 ALA 38 HB3 ALA 38 -23.922 -4.544 -6.039 292 H HIS 39 H HIS 39 -24.310 -4.634 -1.916 293 HA HIS 39 HA HIS 39 -27.126 -5.225 -1.533 294 HB2 HIS 39 HB2 HIS 39 -24.631 -6.037 -0.128 295 HB3 HIS 39 HB3 HIS 39 -26.159 -6.127 0.744 296 HD1 HIS 39 HD1 HIS 39 -27.784 -7.970 0.092 297 HD2 HIS 39 HD2 HIS 39 -24.390 -7.828 -2.297 298 HE1 HIS 39 HE1 HIS 39 -27.826 -10.085 -1.262 299 HE2 HIS 39 HE2 HIS 39 -25.671 -10.057 -2.566 300 H LEU 40 H LEU 40 -24.832 -2.861 -0.362 301 HA LEU 40 HA LEU 40 -26.856 -2.004 1.559 302 HB2 LEU 40 HB2 LEU 40 -24.988 -0.251 2.136 303 HB3 LEU 40 HB3 LEU 40 -24.976 -1.868 2.793 304 HG LEU 40 HG LEU 40 -23.336 -2.473 0.952 305 HD11 LEU 40 HD11 LEU 40 -23.211 0.523 0.669 306 HD12 LEU 40 HD12 LEU 40 -23.723 -0.632 -0.566 307 HD13 LEU 40 HD13 LEU 40 -22.048 -0.617 -0.009 308 HD21 LEU 40 HD21 LEU 40 -21.441 -1.469 2.160 309 HD22 LEU 40 HD22 LEU 40 -22.650 -2.152 3.249 310 HD23 LEU 40 HD23 LEU 40 -22.565 -0.408 3.008 311 H ASN 41 H ASN 41 -28.358 -1.276 0.061 312 HA ASN 41 HA ASN 41 -27.657 0.948 -1.653 313 HB2 ASN 41 HB2 ASN 41 -30.317 -0.370 -1.084 314 HB3 ASN 41 HB3 ASN 41 -30.088 0.944 -2.233 315 HD21 ASN 41 HD21 ASN 41 -29.642 -2.418 -1.602 316 HD22 ASN 41 HD22 ASN 41 -29.100 -2.857 -3.183 317 H THR 42 H THR 42 -27.143 1.366 1.022 318 HA THR 42 HA THR 42 -29.107 3.355 1.883 319 HB THR 42 HB THR 42 -28.443 1.873 3.650 320 HG1 THR 42 HG1 THR 42 -27.143 3.430 5.015 321 HG21 THR 42 HG21 THR 42 -25.576 2.541 2.973 322 HG22 THR 42 HG22 THR 42 -26.386 1.007 2.663 323 HG23 THR 42 HG23 THR 42 -26.110 1.535 4.322 324 H VAL 43 H VAL 43 -26.329 3.031 0.076 325 HA VAL 43 HA VAL 43 -25.746 5.888 0.236 326 HB VAL 43 HB VAL 43 -23.257 5.223 0.002 327 HG11 VAL 43 HG11 VAL 43 -24.189 6.428 1.917 328 HG12 VAL 43 HG12 VAL 43 -22.940 5.287 2.412 329 HG13 VAL 43 HG13 VAL 43 -24.643 4.895 2.656 330 HG21 VAL 43 HG21 VAL 43 -24.348 2.742 1.320 331 HG22 VAL 43 HG22 VAL 43 -22.639 3.157 1.174 332 HG23 VAL 43 HG23 VAL 43 -23.596 2.832 -0.272 333 HA PRO 44 HA PRO 44 -25.664 4.878 -4.207 334 HB2 PRO 44 HB2 PRO 44 -26.512 7.305 -5.043 335 HB3 PRO 44 HB3 PRO 44 -27.629 6.052 -4.487 336 HG2 PRO 44 HG2 PRO 44 -26.621 8.464 -3.047 337 HG3 PRO 44 HG3 PRO 44 -28.238 7.740 -3.033 338 HD2 PRO 44 HD2 PRO 44 -26.356 7.383 -1.052 339 HD3 PRO 44 HD3 PRO 44 -27.683 6.257 -1.385 340 H ARG 45 H ARG 45 -23.411 4.748 -4.309 341 HA ARG 45 HA ARG 45 -22.049 7.167 -5.088 342 HB2 ARG 45 HB2 ARG 45 -20.160 6.683 -3.432 343 HB3 ARG 45 HB3 ARG 45 -21.601 7.477 -2.818 344 HG2 ARG 45 HG2 ARG 45 -22.298 5.015 -2.221 345 HG3 ARG 45 HG3 ARG 45 -20.556 4.740 -2.309 346 HD2 ARG 45 HD2 ARG 45 -22.032 6.667 -0.534 347 HD3 ARG 45 HD3 ARG 45 -21.064 5.275 -0.051 348 HE ARG 45 HE ARG 45 -19.196 6.701 -1.209 349 HH11 ARG 45 HH11 ARG 45 -21.800 7.807 0.828 350 HH12 ARG 45 HH12 ARG 45 -20.940 9.194 1.424 351 HH21 ARG 45 HH21 ARG 45 -18.013 8.522 -0.385 352 HH22 ARG 45 HH22 ARG 45 -18.794 9.592 0.738 353 H THR 46 H THR 46 -19.703 6.710 -5.604 354 HA THR 46 HA THR 46 -19.675 4.654 -7.543 355 HB THR 46 HB THR 46 -18.393 6.740 -7.813 356 HG1 THR 46 HG1 THR 46 -16.622 5.760 -8.756 357 HG21 THR 46 HG21 THR 46 -17.619 7.034 -5.516 358 HG22 THR 46 HG22 THR 46 -16.258 7.037 -6.637 359 HG23 THR 46 HG23 THR 46 -16.598 5.606 -5.665 360 H ARG 47 H ARG 47 -17.923 3.006 -7.691 361 HA ARG 47 HA ARG 47 -18.351 1.260 -5.464 362 HB2 ARG 47 HB2 ARG 47 -16.429 0.560 -7.647 363 HB3 ARG 47 HB3 ARG 47 -17.599 -0.459 -6.827 364 HG2 ARG 47 HG2 ARG 47 -18.097 1.535 -9.023 365 HG3 ARG 47 HG3 ARG 47 -18.335 -0.206 -9.058 366 HD2 ARG 47 HD2 ARG 47 -19.868 1.466 -7.112 367 HD3 ARG 47 HD3 ARG 47 -20.377 1.396 -8.794 368 HE ARG 47 HE ARG 47 -20.086 -1.222 -8.000 369 HH11 ARG 47 HH11 ARG 47 -21.962 1.541 -6.950 370 HH12 ARG 47 HH12 ARG 47 -23.326 0.592 -6.455 371 HH21 ARG 47 HH21 ARG 47 -21.903 -2.489 -7.330 372 HH22 ARG 47 HH22 ARG 47 -23.289 -1.673 -6.662 373 H LYS 48 H LYS 48 -15.793 3.251 -6.633 374 HA LYS 48 HA LYS 48 -13.565 2.305 -5.286 375 HB2 LYS 48 HB2 LYS 48 -13.377 4.082 -6.885 376 HB3 LYS 48 HB3 LYS 48 -14.442 5.116 -5.947 377 HG2 LYS 48 HG2 LYS 48 -12.670 4.988 -4.116 378 HG3 LYS 48 HG3 LYS 48 -11.607 4.338 -5.368 379 HD2 LYS 48 HD2 LYS 48 -11.211 6.673 -5.292 380 HD3 LYS 48 HD3 LYS 48 -12.177 6.377 -6.739 381 HE2 LYS 48 HE2 LYS 48 -14.195 7.049 -5.514 382 HE3 LYS 48 HE3 LYS 48 -13.217 7.355 -4.079 383 HZ1 LYS 48 HZ1 LYS 48 -13.683 9.393 -5.267 384 HZ2 LYS 48 HZ2 LYS 48 -12.991 8.771 -6.675 385 HZ3 LYS 48 HZ3 LYS 48 -12.025 9.061 -5.322 386 H GLN 49 H GLN 49 -16.251 4.220 -4.107 387 HA GLN 49 HA GLN 49 -15.124 5.219 -1.756 388 HB2 GLN 49 HB2 GLN 49 -17.959 4.611 -2.547 389 HB3 GLN 49 HB3 GLN 49 -17.554 5.325 -0.993 390 HG2 GLN 49 HG2 GLN 49 -16.732 6.531 -3.615 391 HG3 GLN 49 HG3 GLN 49 -18.232 6.926 -2.790 392 HE21 GLN 49 HE21 GLN 49 -16.064 8.697 -3.417 393 HE22 GLN 49 HE22 GLN 49 -15.466 9.307 -1.914 394 H ILE 50 H ILE 50 -17.156 2.337 -2.223 395 HA ILE 50 HA ILE 50 -17.168 1.496 0.438 396 HB ILE 50 HB ILE 50 -17.500 0.014 -2.150 397 HG12 ILE 50 HG12 ILE 50 -19.827 -0.310 -0.873 398 HG13 ILE 50 HG13 ILE 50 -19.297 1.157 -0.061 399 HG21 ILE 50 HG21 ILE 50 -17.727 -1.187 0.602 400 HG22 ILE 50 HG22 ILE 50 -16.499 -1.567 -0.604 401 HG23 ILE 50 HG23 ILE 50 -18.187 -1.975 -0.907 402 HD11 ILE 50 HD11 ILE 50 -19.057 2.227 -2.308 403 HD12 ILE 50 HD12 ILE 50 -20.706 1.766 -1.889 404 HD13 ILE 50 HD13 ILE 50 -19.776 0.768 -3.012 405 H ILE 51 H ILE 51 -15.025 0.529 -2.230 406 HA ILE 51 HA ILE 51 -13.373 -1.253 -0.872 407 HB ILE 51 HB ILE 51 -12.574 0.702 -3.031 408 HG12 ILE 51 HG12 ILE 51 -13.487 -2.163 -3.302 409 HG13 ILE 51 HG13 ILE 51 -14.524 -0.766 -3.580 410 HG21 ILE 51 HG21 ILE 51 -11.294 -1.896 -2.206 411 HG22 ILE 51 HG22 ILE 51 -10.664 -0.287 -1.861 412 HG23 ILE 51 HG23 ILE 51 -10.774 -0.853 -3.527 413 HD11 ILE 51 HD11 ILE 51 -13.057 -0.044 -5.391 414 HD12 ILE 51 HD12 ILE 51 -13.688 -1.669 -5.663 415 HD13 ILE 51 HD13 ILE 51 -12.027 -1.449 -5.111 416 H HIS 52 H HIS 52 -13.087 2.233 -1.294 417 HA HIS 52 HA HIS 52 -10.650 2.657 -0.062 418 HB2 HIS 52 HB2 HIS 52 -12.895 4.274 -0.892 419 HB3 HIS 52 HB3 HIS 52 -12.209 4.888 0.600 420 HD1 HIS 52 HD1 HIS 52 -10.455 6.546 0.224 421 HD2 HIS 52 HD2 HIS 52 -10.609 3.750 -2.868 422 HE1 HIS 52 HE1 HIS 52 -8.647 7.218 -1.382 423 HE2 HIS 52 HE2 HIS 52 -8.710 5.488 -3.215 424 H HIS 53 H HIS 53 -13.876 2.613 1.425 425 HA HIS 53 HA HIS 53 -12.817 3.517 3.927 426 HB2 HIS 53 HB2 HIS 53 -15.560 2.401 3.321 427 HB3 HIS 53 HB3 HIS 53 -15.096 3.323 4.756 428 HD1 HIS 53 HD1 HIS 53 -13.346 5.418 3.208 429 HD2 HIS 53 HD2 HIS 53 -17.234 4.329 2.214 430 HE1 HIS 53 HE1 HIS 53 -14.156 7.230 1.705 431 HE2 HIS 53 HE2 HIS 53 -16.477 6.518 1.016 432 H LEU 54 H LEU 54 -13.332 0.421 2.501 433 HA LEU 54 HA LEU 54 -13.164 -1.096 4.894 434 HB2 LEU 54 HB2 LEU 54 -12.531 -1.764 2.024 435 HB3 LEU 54 HB3 LEU 54 -12.414 -2.935 3.324 436 HG LEU 54 HG LEU 54 -14.965 -1.472 2.655 437 HD11 LEU 54 HD11 LEU 54 -14.216 -2.794 0.733 438 HD12 LEU 54 HD12 LEU 54 -15.656 -3.481 1.480 439 HD13 LEU 54 HD13 LEU 54 -14.078 -4.212 1.773 440 HD21 LEU 54 HD21 LEU 54 -14.413 -3.974 4.265 441 HD22 LEU 54 HD22 LEU 54 -16.000 -3.270 3.956 442 HD23 LEU 54 HD23 LEU 54 -14.820 -2.393 4.930 443 H VAL 55 H VAL 55 -10.710 -0.140 2.476 444 HA VAL 55 HA VAL 55 -8.603 -1.291 4.045 445 HB VAL 55 HB VAL 55 -7.050 -0.349 2.415 446 HG11 VAL 55 HG11 VAL 55 -8.121 -2.458 1.909 447 HG12 VAL 55 HG12 VAL 55 -7.888 -1.528 0.429 448 HG13 VAL 55 HG13 VAL 55 -9.484 -1.616 1.171 449 HG21 VAL 55 HG21 VAL 55 -7.855 0.898 0.475 450 HG22 VAL 55 HG22 VAL 55 -8.153 1.782 1.973 451 HG23 VAL 55 HG23 VAL 55 -9.475 0.937 1.168 452 H GLN 56 H GLN 56 -9.954 1.946 3.666 453 HA GLN 56 HA GLN 56 -8.044 3.395 5.077 454 HB2 GLN 56 HB2 GLN 56 -10.686 3.742 4.066 455 HB3 GLN 56 HB3 GLN 56 -10.667 4.310 5.726 456 HG2 GLN 56 HG2 GLN 56 -10.258 6.122 4.320 457 HG3 GLN 56 HG3 GLN 56 -8.742 5.767 5.131 458 HE21 GLN 56 HE21 GLN 56 -10.147 4.117 2.377 459 HE22 GLN 56 HE22 GLN 56 -8.958 4.612 1.232 460 H MET 57 H MET 57 -10.516 1.178 6.135 461 HA MET 57 HA MET 57 -10.389 2.077 8.882 462 HB2 MET 57 HB2 MET 57 -12.439 1.111 7.547 463 HB3 MET 57 HB3 MET 57 -11.779 -0.432 8.068 464 HG2 MET 57 HG2 MET 57 -11.931 0.290 10.399 465 HG3 MET 57 HG3 MET 57 -12.599 1.833 9.874 466 HE1 MET 57 HE1 MET 57 -14.365 0.409 7.321 467 HE2 MET 57 HE2 MET 57 -14.823 1.852 8.227 468 HE3 MET 57 HE3 MET 57 -15.939 0.490 8.114 469 H GLY 58 H GLY 58 -8.418 0.267 7.034 470 HA2 GLY 58 HA2 GLY 58 -6.630 -1.070 7.558 471 HA3 GLY 58 HA3 GLY 58 -6.964 -0.741 9.253 472 H LEU 59 H LEU 59 -9.569 -2.032 7.452 473 HA LEU 59 HA LEU 59 -9.173 -4.604 8.804 474 HB2 LEU 59 HB2 LEU 59 -11.552 -5.028 8.357 475 HB3 LEU 59 HB3 LEU 59 -11.285 -3.583 9.309 476 HG LEU 59 HG LEU 59 -11.497 -2.341 7.034 477 HD11 LEU 59 HD11 LEU 59 -12.969 -3.428 5.449 478 HD12 LEU 59 HD12 LEU 59 -12.956 -4.903 6.417 479 HD13 LEU 59 HD13 LEU 59 -11.475 -4.345 5.634 480 HD21 LEU 59 HD21 LEU 59 -13.048 -2.122 8.882 481 HD22 LEU 59 HD22 LEU 59 -13.856 -3.612 8.398 482 HD23 LEU 59 HD23 LEU 59 -13.912 -2.196 7.346 483 H ALA 60 H ALA 60 -9.124 -3.096 5.772 484 HA ALA 60 HA ALA 60 -8.783 -5.728 4.475 485 HB1 ALA 60 HB1 ALA 60 -10.659 -4.540 3.510 486 HB2 ALA 60 HB2 ALA 60 -9.334 -4.609 2.346 487 HB3 ALA 60 HB3 ALA 60 -9.650 -3.120 3.235 488 H ASP 61 H ASP 61 -7.232 -5.554 2.534 489 HA ASP 61 HA ASP 61 -4.744 -4.601 3.633 490 HB2 ASP 61 HB2 ASP 61 -4.860 -6.792 2.546 491 HB3 ASP 61 HB3 ASP 61 -5.341 -6.023 1.036 492 H SER 62 H SER 62 -6.137 -4.266 0.371 493 HA SER 62 HA SER 62 -5.354 -1.482 0.229 494 HB2 SER 62 HB2 SER 62 -4.136 -3.507 -1.654 495 HB3 SER 62 HB3 SER 62 -3.859 -1.769 -1.670 496 HG SER 62 HG SER 62 -2.951 -3.713 0.161 497 H VAL 63 H VAL 63 -5.937 -0.546 -1.893 498 HA VAL 63 HA VAL 63 -8.521 -1.359 -2.740 499 HB VAL 63 HB VAL 63 -6.565 0.679 -3.809 500 HG11 VAL 63 HG11 VAL 63 -8.378 1.545 -5.211 501 HG12 VAL 63 HG12 VAL 63 -9.391 0.178 -4.743 502 HG13 VAL 63 HG13 VAL 63 -7.920 -0.093 -5.678 503 HG21 VAL 63 HG21 VAL 63 -7.528 1.191 -1.649 504 HG22 VAL 63 HG22 VAL 63 -9.152 0.915 -2.277 505 HG23 VAL 63 HG23 VAL 63 -8.195 2.272 -2.873 506 H LYS 64 H LYS 64 -5.320 -2.086 -3.745 507 HA LYS 64 HA LYS 64 -5.712 -2.849 -6.410 508 HB2 LYS 64 HB2 LYS 64 -3.745 -4.034 -4.438 509 HB3 LYS 64 HB3 LYS 64 -3.616 -4.065 -6.190 510 HG2 LYS 64 HG2 LYS 64 -3.394 -1.632 -6.219 511 HG3 LYS 64 HG3 LYS 64 -3.550 -1.598 -4.471 512 HD2 LYS 64 HD2 LYS 64 -1.208 -1.401 -5.273 513 HD3 LYS 64 HD3 LYS 64 -1.474 -2.782 -4.202 514 HE2 LYS 64 HE2 LYS 64 -1.575 -4.266 -6.141 515 HE3 LYS 64 HE3 LYS 64 -1.362 -2.886 -7.217 516 HZ1 LYS 64 HZ1 LYS 64 0.605 -3.830 -5.201 517 HZ2 LYS 64 HZ2 LYS 64 0.813 -2.507 -6.235 518 HZ3 LYS 64 HZ3 LYS 64 0.711 -4.065 -6.873 519 H ASP 65 H ASP 65 -6.233 -4.553 -3.404 520 HA ASP 65 HA ASP 65 -6.517 -7.153 -4.467 521 HB2 ASP 65 HB2 ASP 65 -6.097 -6.844 -2.110 522 HB3 ASP 65 HB3 ASP 65 -7.567 -5.895 -1.927 523 H PHE 66 H PHE 66 -8.701 -4.448 -4.176 524 HA PHE 66 HA PHE 66 -11.031 -6.113 -4.718 525 HB2 PHE 66 HB2 PHE 66 -10.813 -3.125 -4.307 526 HB3 PHE 66 HB3 PHE 66 -12.311 -4.033 -4.439 527 HD1 PHE 66 HD1 PHE 66 -9.222 -3.831 -2.387 528 HD2 PHE 66 HD2 PHE 66 -13.370 -4.729 -2.521 529 HE1 PHE 66 HE1 PHE 66 -9.242 -4.074 0.054 530 HE2 PHE 66 HE2 PHE 66 -13.397 -4.993 -0.084 531 HZ PHE 66 HZ PHE 66 -11.331 -4.652 1.214 532 H GLN 67 H GLN 67 -9.297 -3.365 -6.195 533 HA GLN 67 HA GLN 67 -10.404 -4.023 -8.790 534 HB2 GLN 67 HB2 GLN 67 -11.177 -1.545 -7.273 535 HB3 GLN 67 HB3 GLN 67 -11.209 -1.596 -9.039 536 HG2 GLN 67 HG2 GLN 67 -12.702 -3.637 -8.794 537 HG3 GLN 67 HG3 GLN 67 -12.844 -3.190 -7.095 538 HE21 GLN 67 HE21 GLN 67 -14.893 -3.322 -9.132 539 HE22 GLN 67 HE22 GLN 67 -15.590 -1.746 -9.230 540 H ARG 68 H ARG 68 -9.444 -0.870 -7.785 541 HA ARG 68 HA ARG 68 -7.693 -0.575 -9.991 542 HB2 ARG 68 HB2 ARG 68 -9.082 1.230 -8.959 543 HB3 ARG 68 HB3 ARG 68 -7.998 1.218 -7.580 544 HG2 ARG 68 HG2 ARG 68 -6.166 1.967 -8.944 545 HG3 ARG 68 HG3 ARG 68 -7.158 1.842 -10.401 546 HD2 ARG 68 HD2 ARG 68 -8.703 3.512 -9.461 547 HD3 ARG 68 HD3 ARG 68 -7.653 3.668 -8.056 548 HE ARG 68 HE ARG 68 -5.947 4.264 -10.001 549 HH11 ARG 68 HH11 ARG 68 -9.272 5.279 -9.567 550 HH12 ARG 68 HH12 ARG 68 -9.013 6.849 -10.258 551 HH21 ARG 68 HH21 ARG 68 -5.614 6.337 -10.921 552 HH22 ARG 68 HH22 ARG 68 -6.948 7.444 -11.034 553 H LYS 69 H LYS 69 -5.823 -1.634 -10.047 554 HA LYS 69 HA LYS 69 -4.348 -2.091 -7.605 555 HB2 LYS 69 HB2 LYS 69 -2.844 -3.441 -9.002 556 HB3 LYS 69 HB3 LYS 69 -4.520 -3.958 -9.089 557 HG2 LYS 69 HG2 LYS 69 -4.765 -2.837 -11.244 558 HG3 LYS 69 HG3 LYS 69 -3.090 -2.286 -11.153 559 HD2 LYS 69 HD2 LYS 69 -2.336 -4.612 -11.139 560 HD3 LYS 69 HD3 LYS 69 -4.010 -5.157 -11.229 561 HE2 LYS 69 HE2 LYS 69 -4.254 -4.025 -13.387 562 HE3 LYS 69 HE3 LYS 69 -2.577 -3.494 -13.296 563 HZ1 LYS 69 HZ1 LYS 69 -2.849 -5.461 -14.682 564 HZ2 LYS 69 HZ2 LYS 69 -3.468 -6.323 -13.366 565 HZ3 LYS 69 HZ3 LYS 69 -1.867 -5.783 -13.347 566 H GLY 70 H GLY 70 -4.614 0.523 -9.291 567 HA2 GLY 70 HA2 GLY 70 -1.871 1.191 -9.839 568 HA3 GLY 70 HA3 GLY 70 -3.243 2.291 -9.869 569 H THR 71 H THR 71 -2.287 0.256 -7.163 570 HA THR 71 HA THR 71 -1.809 2.676 -5.594 571 HB THR 71 HB THR 71 -2.040 0.019 -4.306 572 HG1 THR 71 HG1 THR 71 -4.002 1.269 -5.798 573 HG21 THR 71 HG21 THR 71 -3.102 1.330 -2.549 574 HG22 THR 71 HG22 THR 71 -2.980 2.775 -3.552 575 HG23 THR 71 HG23 THR 71 -1.518 1.982 -2.966 576 H HIS 72 H HIS 72 0.069 2.892 -4.358 577 HA HIS 72 HA HIS 72 2.367 1.645 -5.512 578 HB2 HIS 72 HB2 HIS 72 3.659 3.167 -4.279 579 HB3 HIS 72 HB3 HIS 72 2.165 4.043 -4.569 580 HD1 HIS 72 HD1 HIS 72 4.189 4.649 -2.223 581 HD2 HIS 72 HD2 HIS 72 0.690 2.438 -1.872 582 HE1 HIS 72 HE1 HIS 72 3.592 4.706 0.222 583 HE2 HIS 72 HE2 HIS 72 1.296 3.659 0.329 584 H ILE 73 H ILE 73 0.256 0.271 -3.570 585 HA ILE 73 HA ILE 73 1.766 -0.588 -1.353 586 HB ILE 73 HB ILE 73 -0.811 -1.517 -2.546 587 HG12 ILE 73 HG12 ILE 73 -0.655 0.477 -1.026 588 HG13 ILE 73 HG13 ILE 73 -1.701 -0.809 -0.415 589 HG21 ILE 73 HG21 ILE 73 0.786 -2.960 -0.463 590 HG22 ILE 73 HG22 ILE 73 0.136 -3.599 -1.970 591 HG23 ILE 73 HG23 ILE 73 -0.955 -3.165 -0.654 592 HD11 ILE 73 HD11 ILE 73 -0.377 0.067 1.377 593 HD12 ILE 73 HD12 ILE 73 1.109 -0.197 0.468 594 HD13 ILE 73 HD13 ILE 73 0.157 -1.574 1.020 595 H VAL 74 H VAL 74 3.118 -2.078 -1.074 596 HA VAL 74 HA VAL 74 4.191 -3.592 -3.245 597 HB VAL 74 HB VAL 74 5.814 -4.363 -1.553 598 HG11 VAL 74 HG11 VAL 74 5.222 -1.418 -1.734 599 HG12 VAL 74 HG12 VAL 74 6.328 -2.369 -2.734 600 HG13 VAL 74 HG13 VAL 74 6.712 -2.070 -1.038 601 HG21 VAL 74 HG21 VAL 74 4.290 -4.401 0.378 602 HG22 VAL 74 HG22 VAL 74 4.239 -2.638 0.356 603 HG23 VAL 74 HG23 VAL 74 5.756 -3.474 0.705 604 H LEU 75 H LEU 75 4.334 -5.895 -3.286 605 HA LEU 75 HA LEU 75 2.027 -7.302 -2.809 606 HB2 LEU 75 HB2 LEU 75 3.398 -9.359 -3.032 607 HB3 LEU 75 HB3 LEU 75 3.684 -8.177 -4.292 608 HG LEU 75 HG LEU 75 5.535 -7.853 -2.073 609 HD11 LEU 75 HD11 LEU 75 6.811 -9.890 -2.463 610 HD12 LEU 75 HD12 LEU 75 5.566 -10.470 -3.569 611 HD13 LEU 75 HD13 LEU 75 5.196 -10.264 -1.857 612 HD21 LEU 75 HD21 LEU 75 5.822 -6.824 -4.265 613 HD22 LEU 75 HD22 LEU 75 5.891 -8.416 -5.018 614 HD23 LEU 75 HD23 LEU 75 7.163 -7.910 -3.906 615 H TRP 76 H TRP 76 1.198 -6.933 -0.777 616 HA TRP 76 HA TRP 76 2.714 -7.628 1.566 617 HB2 TRP 76 HB2 TRP 76 0.053 -6.437 1.007 618 HB3 TRP 76 HB3 TRP 76 0.253 -7.262 2.554 619 HD1 TRP 76 HD1 TRP 76 0.400 -3.948 1.237 620 HE1 TRP 76 HE1 TRP 76 1.884 -2.390 2.646 621 HE3 TRP 76 HE3 TRP 76 2.974 -7.467 3.891 622 HZ2 TRP 76 HZ2 TRP 76 3.881 -2.618 4.601 623 HZ3 TRP 76 HZ3 TRP 76 4.668 -6.708 5.502 624 HH2 TRP 76 HH2 TRP 76 5.117 -4.337 5.844 625 H THR 77 H THR 77 3.062 -9.658 1.960 626 HA THR 77 HA THR 77 0.903 -11.613 1.564 627 HB THR 77 HB THR 77 2.651 -13.312 1.370 628 HG1 THR 77 HG1 THR 77 4.897 -12.306 1.152 629 HG21 THR 77 HG21 THR 77 1.976 -12.146 -0.684 630 HG22 THR 77 HG22 THR 77 3.680 -12.596 -0.743 631 HG23 THR 77 HG23 THR 77 3.219 -10.927 -0.403 632 H GLY 78 H GLY 78 0.901 -13.403 3.196 633 HA2 GLY 78 HA2 GLY 78 0.797 -12.491 5.820 634 HA3 GLY 78 HA3 GLY 78 0.946 -14.182 5.362 635 H ASP 79 H ASP 79 3.475 -13.941 4.065 636 HA ASP 79 HA ASP 79 5.187 -14.148 6.329 637 HB2 ASP 79 HB2 ASP 79 5.838 -14.125 3.376 638 HB3 ASP 79 HB3 ASP 79 6.984 -14.518 4.655 639 H GLN 80 H GLN 80 4.744 -11.725 3.774 640 HA GLN 80 HA GLN 80 6.935 -10.113 4.583 641 HB2 GLN 80 HB2 GLN 80 5.802 -9.983 2.326 642 HB3 GLN 80 HB3 GLN 80 4.467 -9.165 3.123 643 HG2 GLN 80 HG2 GLN 80 5.841 -7.331 3.737 644 HG3 GLN 80 HG3 GLN 80 7.298 -8.179 3.231 645 HE21 GLN 80 HE21 GLN 80 4.473 -6.458 2.175 646 HE22 GLN 80 HE22 GLN 80 4.981 -6.228 0.541 647 H GLU 81 H GLU 81 3.524 -10.188 5.463 648 HA GLU 81 HA GLU 81 3.498 -7.802 6.970 649 HB2 GLU 81 HB2 GLU 81 1.809 -10.294 7.286 650 HB3 GLU 81 HB3 GLU 81 1.466 -8.738 8.030 651 HG2 GLU 81 HG2 GLU 81 1.201 -7.725 5.833 652 HG3 GLU 81 HG3 GLU 81 1.587 -9.263 5.067 653 H LEU 82 H LEU 82 4.365 -11.121 7.744 654 HA LEU 82 HA LEU 82 4.792 -10.705 10.513 655 HB2 LEU 82 HB2 LEU 82 4.572 -12.947 9.647 656 HB3 LEU 82 HB3 LEU 82 5.974 -12.726 8.615 657 HG LEU 82 HG LEU 82 7.353 -12.431 10.692 658 HD11 LEU 82 HD11 LEU 82 5.600 -11.822 12.232 659 HD12 LEU 82 HD12 LEU 82 6.417 -13.279 12.794 660 HD13 LEU 82 HD13 LEU 82 4.833 -13.396 12.029 661 HD21 LEU 82 HD21 LEU 82 5.928 -15.056 10.323 662 HD22 LEU 82 HD22 LEU 82 7.445 -14.822 11.195 663 HD23 LEU 82 HD23 LEU 82 7.365 -14.505 9.460 664 H GLU 83 H GLU 83 6.912 -10.544 7.680 665 HA GLU 83 HA GLU 83 9.279 -9.963 9.073 666 HB2 GLU 83 HB2 GLU 83 8.410 -9.300 6.262 667 HB3 GLU 83 HB3 GLU 83 10.022 -8.957 6.874 668 HG2 GLU 83 HG2 GLU 83 8.743 -11.675 6.687 669 HG3 GLU 83 HG3 GLU 83 9.980 -11.029 5.609 670 H LEU 84 H LEU 84 6.587 -7.947 8.110 671 HA LEU 84 HA LEU 84 7.825 -5.473 8.832 672 HB2 LEU 84 HB2 LEU 84 5.859 -5.477 7.406 673 HB3 LEU 84 HB3 LEU 84 4.914 -6.260 8.658 674 HG LEU 84 HG LEU 84 5.192 -4.245 10.086 675 HD11 LEU 84 HD11 LEU 84 6.073 -2.207 9.174 676 HD12 LEU 84 HD12 LEU 84 6.381 -2.982 7.622 677 HD13 LEU 84 HD13 LEU 84 7.299 -3.466 9.047 678 HD21 LEU 84 HD21 LEU 84 3.196 -4.533 8.687 679 HD22 LEU 84 HD22 LEU 84 4.003 -3.683 7.370 680 HD23 LEU 84 HD23 LEU 84 3.633 -2.834 8.869 681 H GLN 85 H GLN 85 5.555 -7.656 10.424 682 HA GLN 85 HA GLN 85 5.190 -6.478 12.861 683 HB2 GLN 85 HB2 GLN 85 4.288 -8.686 11.861 684 HB3 GLN 85 HB3 GLN 85 5.700 -9.435 12.583 685 HG2 GLN 85 HG2 GLN 85 3.543 -7.952 14.057 686 HG3 GLN 85 HG3 GLN 85 3.707 -9.697 13.958 687 HE21 GLN 85 HE21 GLN 85 5.505 -10.677 15.026 688 HE22 GLN 85 HE22 GLN 85 6.271 -9.879 16.355 689 H ARG 86 H ARG 86 7.686 -8.927 12.169 690 HA ARG 86 HA ARG 86 8.888 -8.859 14.673 691 HB2 ARG 86 HB2 ARG 86 10.127 -9.552 12.011 692 HB3 ARG 86 HB3 ARG 86 10.816 -9.947 13.581 693 HG2 ARG 86 HG2 ARG 86 8.649 -11.199 14.042 694 HG3 ARG 86 HG3 ARG 86 8.312 -11.017 12.320 695 HD2 ARG 86 HD2 ARG 86 10.344 -12.198 11.751 696 HD3 ARG 86 HD3 ARG 86 10.796 -12.301 13.452 697 HE ARG 86 HE ARG 86 8.258 -13.511 12.728 698 HH11 ARG 86 HH11 ARG 86 11.680 -13.997 13.293 699 HH12 ARG 86 HH12 ARG 86 11.511 -15.696 13.605 700 HH21 ARG 86 HH21 ARG 86 8.043 -15.759 13.125 701 HH22 ARG 86 HH22 ARG 86 9.457 -16.694 13.498 702 H LEU 87 H LEU 87 9.937 -7.157 11.709 703 HA LEU 87 HA LEU 87 12.163 -5.951 12.975 704 HB2 LEU 87 HB2 LEU 87 10.775 -5.575 10.383 705 HB3 LEU 87 HB3 LEU 87 11.822 -4.285 10.942 706 HG LEU 87 HG LEU 87 13.620 -6.088 11.210 707 HD11 LEU 87 HD11 LEU 87 13.385 -8.036 9.771 708 HD12 LEU 87 HD12 LEU 87 11.725 -7.570 9.401 709 HD13 LEU 87 HD13 LEU 87 12.165 -8.031 11.046 710 HD21 LEU 87 HD21 LEU 87 14.211 -5.928 8.833 711 HD22 LEU 87 HD22 LEU 87 13.689 -4.385 9.509 712 HD23 LEU 87 HD23 LEU 87 12.593 -5.317 8.492 713 H PHE 88 H PHE 88 8.828 -4.959 12.586 714 HA PHE 88 HA PHE 88 9.047 -2.264 13.201 715 HB2 PHE 88 HB2 PHE 88 6.924 -2.911 12.512 716 HB3 PHE 88 HB3 PHE 88 6.889 -4.304 13.585 717 HD1 PHE 88 HD1 PHE 88 5.584 -4.209 15.452 718 HD2 PHE 88 HD2 PHE 88 7.008 -0.579 13.751 719 HE1 PHE 88 HE1 PHE 88 4.276 -2.935 17.092 720 HE2 PHE 88 HE2 PHE 88 5.705 0.705 15.395 721 HZ PHE 88 HZ PHE 88 4.344 -0.477 17.074 722 H GLU 89 H GLU 89 8.591 -5.004 15.441 723 HA GLU 89 HA GLU 89 8.765 -3.342 17.752 724 HB2 GLU 89 HB2 GLU 89 9.115 -6.317 17.466 725 HB3 GLU 89 HB3 GLU 89 8.945 -5.459 18.985 726 HG2 GLU 89 HG2 GLU 89 6.734 -4.604 17.980 727 HG3 GLU 89 HG3 GLU 89 6.935 -5.934 16.840 728 H GLU 90 H GLU 90 11.004 -5.280 15.897 729 HA GLU 90 HA GLU 90 13.112 -5.373 17.732 730 HB2 GLU 90 HB2 GLU 90 12.743 -5.775 14.837 731 HB3 GLU 90 HB3 GLU 90 14.388 -5.482 15.374 732 HG2 GLU 90 HG2 GLU 90 14.263 -7.375 16.878 733 HG3 GLU 90 HG3 GLU 90 12.580 -7.638 16.431 734 H PHE 91 H PHE 91 12.068 -2.857 15.558 735 HA PHE 91 HA PHE 91 14.372 -1.241 16.432 736 HB2 PHE 91 HB2 PHE 91 12.874 -1.059 13.810 737 HB3 PHE 91 HB3 PHE 91 14.200 -0.013 14.306 738 HD1 PHE 91 HD1 PHE 91 13.345 -2.876 12.485 739 HD2 PHE 91 HD2 PHE 91 16.401 -1.279 14.969 740 HE1 PHE 91 HE1 PHE 91 14.953 -4.460 11.514 741 HE2 PHE 91 HE2 PHE 91 18.020 -2.859 14.002 742 HZ PHE 91 HZ PHE 91 17.296 -4.455 12.273 743 H ARG 92 H ARG 92 11.380 -1.624 17.311 744 HA ARG 92 HA ARG 92 10.107 0.856 16.819 745 HB2 ARG 92 HB2 ARG 92 8.808 -1.097 17.488 746 HB3 ARG 92 HB3 ARG 92 9.632 -1.144 19.041 747 HG2 ARG 92 HG2 ARG 92 8.650 0.964 19.673 748 HG3 ARG 92 HG3 ARG 92 7.912 1.132 18.083 749 HD2 ARG 92 HD2 ARG 92 6.492 -0.776 18.493 750 HD3 ARG 92 HD3 ARG 92 7.301 -1.095 20.030 751 HE ARG 92 HE ARG 92 6.437 1.407 20.404 752 HH11 ARG 92 HH11 ARG 92 4.772 -1.444 19.238 753 HH12 ARG 92 HH12 ARG 92 3.200 -0.867 19.698 754 HH21 ARG 92 HH21 ARG 92 4.377 2.175 21.029 755 HH22 ARG 92 HH22 ARG 92 2.970 1.208 20.699 756 H ASP 93 H ASP 93 12.419 -0.184 19.200 757 HA ASP 93 HA ASP 93 11.941 2.177 20.837 758 HB2 ASP 93 HB2 ASP 93 12.317 -0.119 21.832 759 HB3 ASP 93 HB3 ASP 93 13.992 0.014 21.310 760 H SER 94 H SER 94 13.266 2.054 18.059 761 HA SER 94 HA SER 94 15.729 3.477 18.789 762 HB2 SER 94 HB2 SER 94 16.482 3.162 16.515 763 HB3 SER 94 HB3 SER 94 15.924 1.608 17.125 764 HG SER 94 HG SER 94 13.908 2.058 16.019 765 H ASP 95 H ASP 95 16.096 5.254 16.815 766 HA ASP 95 HA ASP 95 14.294 7.295 17.612 767 HB2 ASP 95 HB2 ASP 95 16.694 7.654 16.978 768 HB3 ASP 95 HB3 ASP 95 16.241 7.365 15.300 769 H ASP 96 H ASP 96 14.781 5.656 14.507 770 HA ASP 96 HA ASP 96 11.974 6.224 13.908 771 HB2 ASP 96 HB2 ASP 96 13.394 7.854 12.665 772 HB3 ASP 96 HB3 ASP 96 14.189 6.501 11.864 773 H VAL 97 H VAL 97 11.087 4.310 13.930 774 HA VAL 97 HA VAL 97 12.520 1.910 13.623 775 HB VAL 97 HB VAL 97 10.622 1.885 15.040 776 HG11 VAL 97 HG11 VAL 97 9.027 2.765 12.654 777 HG12 VAL 97 HG12 VAL 97 9.272 3.630 14.173 778 HG13 VAL 97 HG13 VAL 97 8.307 2.154 14.141 779 HG21 VAL 97 HG21 VAL 97 11.003 -0.221 13.944 780 HG22 VAL 97 HG22 VAL 97 10.031 0.281 12.563 781 HG23 VAL 97 HG23 VAL 97 9.266 0.031 14.135 782 H LEU 98 H LEU 98 10.537 3.744 11.315 783 HA LEU 98 HA LEU 98 10.308 1.569 9.484 784 HB2 LEU 98 HB2 LEU 98 10.001 4.507 8.907 785 HB3 LEU 98 HB3 LEU 98 9.508 3.201 7.855 786 HG LEU 98 HG LEU 98 8.223 4.190 10.346 787 HD11 LEU 98 HD11 LEU 98 7.408 4.984 8.232 788 HD12 LEU 98 HD12 LEU 98 6.214 3.937 8.998 789 HD13 LEU 98 HD13 LEU 98 7.200 3.324 7.673 790 HD21 LEU 98 HD21 LEU 98 6.829 2.163 10.415 791 HD22 LEU 98 HD22 LEU 98 8.508 1.885 10.891 792 HD23 LEU 98 HD23 LEU 98 7.956 1.409 9.289 793 H GLY 99 H GLY 99 12.539 4.284 9.796 794 HA2 GLY 99 HA2 GLY 99 13.971 3.912 7.413 795 HA3 GLY 99 HA3 GLY 99 14.633 4.581 8.903 796 H HIS 100 H HIS 100 14.386 2.421 10.597 797 HA HIS 100 HA HIS 100 16.649 0.876 9.850 798 HB2 HIS 100 HB2 HIS 100 14.710 0.695 12.152 799 HB3 HIS 100 HB3 HIS 100 16.028 -0.453 11.946 800 HD1 HIS 100 HD1 HIS 100 17.866 0.138 13.485 801 HD2 HIS 100 HD2 HIS 100 16.025 3.522 11.916 802 HE1 HIS 100 HE1 HIS 100 19.124 2.098 14.431 803 HE2 HIS 100 HE2 HIS 100 17.900 4.125 13.589 804 H ILE 101 H ILE 101 13.189 0.423 9.691 805 HA ILE 101 HA ILE 101 13.123 -2.299 9.054 806 HB ILE 101 HB ILE 101 11.287 -0.032 8.236 807 HG12 ILE 101 HG12 ILE 101 11.046 -2.333 10.203 808 HG13 ILE 101 HG13 ILE 101 11.240 -0.627 10.597 809 HG21 ILE 101 HG21 ILE 101 11.177 -1.714 6.480 810 HG22 ILE 101 HG22 ILE 101 9.706 -1.761 7.452 811 HG23 ILE 101 HG23 ILE 101 10.952 -2.989 7.677 812 HD11 ILE 101 HD11 ILE 101 8.864 -1.881 9.245 813 HD12 ILE 101 HD12 ILE 101 9.056 -0.165 9.598 814 HD13 ILE 101 HD13 ILE 101 8.951 -1.327 10.917 815 H MET 102 H MET 102 13.158 0.502 6.835 816 HA MET 102 HA MET 102 13.316 -0.974 4.469 817 HB2 MET 102 HB2 MET 102 14.410 1.784 5.032 818 HB3 MET 102 HB3 MET 102 14.203 1.084 3.432 819 HG2 MET 102 HG2 MET 102 11.801 0.973 3.773 820 HG3 MET 102 HG3 MET 102 11.993 1.645 5.394 821 HE1 MET 102 HE1 MET 102 10.111 2.745 3.020 822 HE2 MET 102 HE2 MET 102 10.325 4.489 3.201 823 HE3 MET 102 HE3 MET 102 10.130 3.470 4.629 824 H LYS 103 H LYS 103 15.851 0.146 6.624 825 HA LYS 103 HA LYS 103 18.019 -0.424 4.880 826 HB2 LYS 103 HB2 LYS 103 17.728 0.262 7.763 827 HB3 LYS 103 HB3 LYS 103 19.238 -0.474 7.255 828 HG2 LYS 103 HG2 LYS 103 19.345 1.976 7.306 829 HG3 LYS 103 HG3 LYS 103 19.641 1.324 5.696 830 HD2 LYS 103 HD2 LYS 103 17.520 1.990 4.924 831 HD3 LYS 103 HD3 LYS 103 16.925 2.268 6.561 832 HE2 LYS 103 HE2 LYS 103 17.393 4.366 5.375 833 HE3 LYS 103 HE3 LYS 103 18.395 4.170 6.810 834 HZ1 LYS 103 HZ1 LYS 103 20.217 3.458 5.395 835 HZ2 LYS 103 HZ2 LYS 103 19.675 4.994 4.944 836 HZ3 LYS 103 HZ3 LYS 103 19.251 3.646 4.018 837 H ASN 104 H ASN 104 16.253 -2.332 7.245 838 HA ASN 104 HA ASN 104 18.279 -4.436 7.061 839 HB2 ASN 104 HB2 ASN 104 16.199 -3.740 9.059 840 HB3 ASN 104 HB3 ASN 104 16.655 -5.434 8.911 841 HD21 ASN 104 HD21 ASN 104 18.632 -6.101 9.619 842 HD22 ASN 104 HD22 ASN 104 19.740 -5.080 10.465 843 H ILE 105 H ILE 105 15.003 -3.812 6.017 844 HA ILE 105 HA ILE 105 14.582 -6.661 5.558 845 HB ILE 105 HB ILE 105 12.717 -5.299 6.445 846 HG12 ILE 105 HG12 ILE 105 10.973 -6.218 4.918 847 HG13 ILE 105 HG13 ILE 105 12.254 -6.639 3.787 848 HG21 ILE 105 HG21 ILE 105 13.053 -3.236 5.221 849 HG22 ILE 105 HG22 ILE 105 11.431 -3.858 4.910 850 HG23 ILE 105 HG23 ILE 105 12.700 -4.058 3.701 851 HD11 ILE 105 HD11 ILE 105 13.220 -8.155 5.411 852 HD12 ILE 105 HD12 ILE 105 11.527 -8.552 5.124 853 HD13 ILE 105 HD13 ILE 105 11.997 -7.694 6.592 854 H THR 106 H THR 106 14.093 -7.545 3.586 855 HA THR 106 HA THR 106 15.783 -6.685 1.499 856 HB THR 106 HB THR 106 15.228 -9.043 2.116 857 HG1 THR 106 HG1 THR 106 16.032 -9.339 0.183 858 HG21 THR 106 HG21 THR 106 12.817 -8.869 2.355 859 HG22 THR 106 HG22 THR 106 13.218 -10.066 1.124 860 HG23 THR 106 HG23 THR 106 12.654 -8.466 0.645 861 H ALA 107 H ALA 107 12.288 -6.529 2.012 862 HA ALA 107 HA ALA 107 11.807 -5.466 -0.638 863 HB1 ALA 107 HB1 ALA 107 9.958 -5.812 1.724 864 HB2 ALA 107 HB2 ALA 107 10.109 -6.903 0.345 865 HB3 ALA 107 HB3 ALA 107 9.462 -5.275 0.120 866 H LYS 108 H LYS 108 11.830 -3.357 -1.142 867 HA LYS 108 HA LYS 108 12.241 -1.417 0.964 868 HB2 LYS 108 HB2 LYS 108 11.793 -0.866 -1.971 869 HB3 LYS 108 HB3 LYS 108 12.545 0.196 -0.791 870 HG2 LYS 108 HG2 LYS 108 13.697 -2.420 -1.758 871 HG3 LYS 108 HG3 LYS 108 14.158 -0.827 -2.344 872 HD2 LYS 108 HD2 LYS 108 15.827 -1.224 -0.812 873 HD3 LYS 108 HD3 LYS 108 14.658 -0.372 0.195 874 HE2 LYS 108 HE2 LYS 108 13.910 -2.395 1.187 875 HE3 LYS 108 HE3 LYS 108 14.761 -3.377 -0.002 876 HZ1 LYS 108 HZ1 LYS 108 16.037 -1.660 2.066 877 HZ2 LYS 108 HZ2 LYS 108 16.856 -2.618 0.933 878 HZ3 LYS 108 HZ3 LYS 108 15.901 -3.347 2.125 879 H ARG 109 H ARG 109 10.486 -1.039 2.166 880 HA ARG 109 HA ARG 109 7.909 -0.792 0.780 881 HB2 ARG 109 HB2 ARG 109 8.367 -1.220 3.730 882 HB3 ARG 109 HB3 ARG 109 6.839 -1.321 2.869 883 HG2 ARG 109 HG2 ARG 109 7.671 -3.281 1.651 884 HG3 ARG 109 HG3 ARG 109 9.180 -3.186 2.565 885 HD2 ARG 109 HD2 ARG 109 7.702 -3.286 4.644 886 HD3 ARG 109 HD3 ARG 109 6.419 -3.805 3.558 887 HE ARG 109 HE ARG 109 8.080 -5.632 2.904 888 HH11 ARG 109 HH11 ARG 109 7.900 -4.230 6.105 889 HH12 ARG 109 HH12 ARG 109 8.470 -5.654 6.908 890 HH21 ARG 109 HH21 ARG 109 8.839 -7.522 3.960 891 HH22 ARG 109 HH22 ARG 109 8.996 -7.532 5.685 892 H SER 110 H SER 110 7.254 1.174 0.485 893 HA SER 110 HA SER 110 8.343 3.467 1.664 894 HB2 SER 110 HB2 SER 110 7.218 3.430 -0.549 895 HB3 SER 110 HB3 SER 110 5.676 3.183 0.262 896 HG SER 110 HG SER 110 7.316 5.459 0.180 897 H ARG 111 H ARG 111 7.046 5.095 2.910 898 HA ARG 111 HA ARG 111 6.610 3.736 5.375 899 HB2 ARG 111 HB2 ARG 111 6.226 6.678 4.908 900 HB3 ARG 111 HB3 ARG 111 6.719 5.857 6.390 901 HG2 ARG 111 HG2 ARG 111 8.746 5.065 5.027 902 HG3 ARG 111 HG3 ARG 111 8.289 6.331 3.886 903 HD2 ARG 111 HD2 ARG 111 9.932 7.239 5.346 904 HD3 ARG 111 HD3 ARG 111 8.383 7.944 5.805 905 HE ARG 111 HE ARG 111 8.901 5.627 7.351 906 HH11 ARG 111 HH11 ARG 111 10.008 8.935 6.971 907 HH12 ARG 111 HH12 ARG 111 10.440 9.119 8.643 908 HH21 ARG 111 HH21 ARG 111 9.422 5.895 9.559 909 HH22 ARG 111 HH22 ARG 111 10.140 7.374 10.113 910 H ALA 112 H ALA 112 4.482 5.461 3.129 911 HA ALA 112 HA ALA 112 2.196 5.452 4.772 912 HB1 ALA 112 HB1 ALA 112 0.900 5.737 2.735 913 HB2 ALA 112 HB2 ALA 112 2.294 5.263 1.765 914 HB3 ALA 112 HB3 ALA 112 2.339 6.758 2.700 915 H ARG 113 H ARG 113 3.728 2.964 2.882 916 HA ARG 113 HA ARG 113 1.514 1.146 2.851 917 HB2 ARG 113 HB2 ARG 113 4.442 0.408 2.711 918 HB3 ARG 113 HB3 ARG 113 3.077 -0.510 2.097 919 HG2 ARG 113 HG2 ARG 113 2.691 1.165 0.388 920 HG3 ARG 113 HG3 ARG 113 4.016 2.140 1.029 921 HD2 ARG 113 HD2 ARG 113 5.534 0.192 0.611 922 HD3 ARG 113 HD3 ARG 113 4.191 -0.597 -0.205 923 HE ARG 113 HE ARG 113 4.208 1.512 -1.665 924 HH11 ARG 113 HH11 ARG 113 7.060 -0.098 -0.449 925 HH12 ARG 113 HH12 ARG 113 8.105 0.558 -1.663 926 HH21 ARG 113 HH21 ARG 113 5.575 2.300 -3.319 927 HH22 ARG 113 HH22 ARG 113 7.258 1.890 -3.296 928 H ILE 114 H ILE 114 4.314 1.710 4.862 929 HA ILE 114 HA ILE 114 4.014 -0.567 6.501 930 HB ILE 114 HB ILE 114 5.467 2.011 7.103 931 HG12 ILE 114 HG12 ILE 114 6.567 -0.570 6.055 932 HG13 ILE 114 HG13 ILE 114 6.162 0.776 5.005 933 HG21 ILE 114 HG21 ILE 114 5.285 -0.643 8.433 934 HG22 ILE 114 HG22 ILE 114 5.340 0.971 9.145 935 HG23 ILE 114 HG23 ILE 114 6.807 0.237 8.496 936 HD11 ILE 114 HD11 ILE 114 8.203 0.819 7.218 937 HD12 ILE 114 HD12 ILE 114 7.821 2.155 6.133 938 HD13 ILE 114 HD13 ILE 114 8.551 0.682 5.495 939 H VAL 115 H VAL 115 3.411 2.886 7.102 940 HA VAL 115 HA VAL 115 2.635 2.497 9.764 941 HB VAL 115 HB VAL 115 1.955 4.806 9.803 942 HG11 VAL 115 HG11 VAL 115 4.373 4.239 9.732 943 HG12 VAL 115 HG12 VAL 115 3.997 5.855 9.130 944 HG13 VAL 115 HG13 VAL 115 4.348 4.552 7.996 945 HG21 VAL 115 HG21 VAL 115 1.864 6.184 7.794 946 HG22 VAL 115 HG22 VAL 115 0.693 4.868 7.708 947 HG23 VAL 115 HG23 VAL 115 2.202 4.767 6.798 948 H ASP 116 H ASP 116 0.803 2.575 6.827 949 HA ASP 116 HA ASP 116 -1.722 2.622 8.136 950 HB2 ASP 116 HB2 ASP 116 -0.691 2.516 5.436 951 HB3 ASP 116 HB3 ASP 116 -2.071 1.459 5.658 952 H LYS 117 H LYS 117 0.543 0.116 7.141 953 HA LYS 117 HA LYS 117 -1.433 -1.952 7.444 954 HB2 LYS 117 HB2 LYS 117 0.717 -1.909 5.916 955 HB3 LYS 117 HB3 LYS 117 1.488 -2.573 7.351 956 HG2 LYS 117 HG2 LYS 117 0.809 -4.367 5.894 957 HG3 LYS 117 HG3 LYS 117 -0.170 -4.401 7.361 958 HD2 LYS 117 HD2 LYS 117 -1.924 -3.103 6.073 959 HD3 LYS 117 HD3 LYS 117 -0.973 -3.420 4.623 960 HE2 LYS 117 HE2 LYS 117 -1.994 -5.575 6.463 961 HE3 LYS 117 HE3 LYS 117 -2.875 -5.006 5.047 962 HZ1 LYS 117 HZ1 LYS 117 -1.458 -6.017 3.633 963 HZ2 LYS 117 HZ2 LYS 117 -1.230 -7.053 4.969 964 HZ3 LYS 117 HZ3 LYS 117 -0.111 -5.824 4.645 965 H LEU 118 H LEU 118 0.983 -0.443 9.451 966 HA LEU 118 HA LEU 118 1.076 -2.315 11.543 967 HB2 LEU 118 HB2 LEU 118 1.253 0.685 11.593 968 HB3 LEU 118 HB3 LEU 118 1.448 -0.301 13.022 969 HG LEU 118 HG LEU 118 3.279 0.003 10.684 970 HD11 LEU 118 HD11 LEU 118 4.884 0.336 12.502 971 HD12 LEU 118 HD12 LEU 118 3.607 0.016 13.682 972 HD13 LEU 118 HD13 LEU 118 3.511 1.434 12.639 973 HD21 LEU 118 HD21 LEU 118 2.965 -2.420 10.948 974 HD22 LEU 118 HD22 LEU 118 3.337 -2.273 12.665 975 HD23 LEU 118 HD23 LEU 118 4.573 -1.911 11.463 976 H LEU 119 H LEU 119 -1.056 0.460 11.045 977 HA LEU 119 HA LEU 119 -2.649 0.158 13.326 978 HB2 LEU 119 HB2 LEU 119 -3.072 1.407 10.639 979 HB3 LEU 119 HB3 LEU 119 -4.417 1.285 11.754 980 HG LEU 119 HG LEU 119 -3.395 3.497 11.873 981 HD11 LEU 119 HD11 LEU 119 -3.045 3.609 14.286 982 HD12 LEU 119 HD12 LEU 119 -2.895 1.854 14.347 983 HD13 LEU 119 HD13 LEU 119 -4.425 2.592 13.873 984 HD21 LEU 119 HD21 LEU 119 -0.883 2.071 12.759 985 HD22 LEU 119 HD22 LEU 119 -1.140 3.817 12.780 986 HD23 LEU 119 HD23 LEU 119 -1.103 2.950 11.243 987 H ALA 120 H ALA 120 -2.686 -1.432 10.247 988 HA ALA 120 HA ALA 120 -5.291 -2.570 10.479 989 HB1 ALA 120 HB1 ALA 120 -2.993 -3.437 8.731 990 HB2 ALA 120 HB2 ALA 120 -4.138 -2.154 8.337 991 HB3 ALA 120 HB3 ALA 120 -4.701 -3.821 8.503 992 H LEU 121 H LEU 121 -1.994 -3.842 10.946 993 HA LEU 121 HA LEU 121 -2.744 -6.407 11.856 994 HB2 LEU 121 HB2 LEU 121 -0.295 -4.715 12.057 995 HB3 LEU 121 HB3 LEU 121 -0.420 -6.125 13.085 996 HG LEU 121 HG LEU 121 -0.595 -7.564 11.131 997 HD11 LEU 121 HD11 LEU 121 -1.708 -6.076 9.580 998 HD12 LEU 121 HD12 LEU 121 -0.201 -6.673 8.883 999 HD13 LEU 121 HD13 LEU 121 -0.286 -5.034 9.532 1000 HD21 LEU 121 HD21 LEU 121 1.587 -7.092 12.058 1001 HD22 LEU 121 HD22 LEU 121 1.720 -5.636 11.070 1002 HD23 LEU 121 HD23 LEU 121 1.700 -7.228 10.301 1003 H GLY 122 H GLY 122 -2.740 -3.314 13.369 1004 HA2 GLY 122 HA2 GLY 122 -3.491 -2.703 15.473 1005 HA3 GLY 122 HA3 GLY 122 -3.718 -4.407 15.853 1006 H LEU 123 H LEU 123 -0.733 -3.089 14.609 1007 HA LEU 123 HA LEU 123 0.705 -4.073 16.911 1008 HB2 LEU 123 HB2 LEU 123 1.552 -2.718 14.360 1009 HB3 LEU 123 HB3 LEU 123 2.690 -3.113 15.638 1010 HG LEU 123 HG LEU 123 1.022 -5.084 14.072 1011 HD11 LEU 123 HD11 LEU 123 3.205 -5.845 13.232 1012 HD12 LEU 123 HD12 LEU 123 3.976 -4.501 14.073 1013 HD13 LEU 123 HD13 LEU 123 2.842 -4.187 12.762 1014 HD21 LEU 123 HD21 LEU 123 3.033 -5.523 16.272 1015 HD22 LEU 123 HD22 LEU 123 2.340 -6.792 15.265 1016 HD23 LEU 123 HD23 LEU 123 1.303 -5.860 16.343 1017 H VAL 124 H VAL 124 -0.567 -1.162 15.715 1018 HA VAL 124 HA VAL 124 0.240 0.201 18.175 1019 HB VAL 124 HB VAL 124 0.568 2.317 16.903 1020 HG11 VAL 124 HG11 VAL 124 2.486 0.996 17.659 1021 HG12 VAL 124 HG12 VAL 124 2.825 1.807 16.130 1022 HG13 VAL 124 HG13 VAL 124 2.454 0.084 16.150 1023 HG21 VAL 124 HG21 VAL 124 0.376 0.451 14.553 1024 HG22 VAL 124 HG22 VAL 124 1.088 2.059 14.456 1025 HG23 VAL 124 HG23 VAL 124 -0.609 1.872 14.890 1026 H ALA 125 H ALA 125 -1.011 2.304 18.326 1027 HA ALA 125 HA ALA 125 -3.793 1.826 17.447 1028 HB1 ALA 125 HB1 ALA 125 -4.490 3.102 19.420 1029 HB2 ALA 125 HB2 ALA 125 -2.801 3.303 19.886 1030 HB3 ALA 125 HB3 ALA 125 -3.528 1.696 19.875 1031 H GLU 126 H GLU 126 -1.068 3.836 17.365 1032 HA GLU 126 HA GLU 126 -2.442 5.720 15.621 1033 HB2 GLU 126 HB2 GLU 126 -1.565 7.665 16.807 1034 HB3 GLU 126 HB3 GLU 126 -2.590 6.715 17.875 1035 HG2 GLU 126 HG2 GLU 126 -0.557 5.676 18.828 1036 HG3 GLU 126 HG3 GLU 126 0.417 6.750 17.832 1037 H ARG 127 H ARG 127 -0.765 7.202 14.584 1038 HA ARG 127 HA ARG 127 1.452 5.594 13.733 1039 HB2 ARG 127 HB2 ARG 127 0.520 8.347 12.981 1040 HB3 ARG 127 HB3 ARG 127 2.016 7.667 12.362 1041 HG2 ARG 127 HG2 ARG 127 0.708 5.760 11.452 1042 HG3 ARG 127 HG3 ARG 127 -0.769 6.603 11.942 1043 HD2 ARG 127 HD2 ARG 127 -0.043 8.529 10.560 1044 HD3 ARG 127 HD3 ARG 127 1.330 7.568 10.026 1045 HE ARG 127 HE ARG 127 -0.756 6.003 9.369 1046 HH11 ARG 127 HH11 ARG 127 -0.111 9.398 8.818 1047 HH12 ARG 127 HH12 ARG 127 -0.903 9.429 7.273 1048 HH21 ARG 127 HH21 ARG 127 -1.813 6.044 7.311 1049 HH22 ARG 127 HH22 ARG 127 -1.872 7.546 6.438 1050 H ARG 128 H ARG 128 0.961 7.989 16.127 1051 HA ARG 128 HA ARG 128 3.434 9.240 16.290 1052 HB2 ARG 128 HB2 ARG 128 1.445 9.859 17.615 1053 HB3 ARG 128 HB3 ARG 128 1.661 8.411 18.588 1054 HG2 ARG 128 HG2 ARG 128 4.041 9.408 18.996 1055 HG3 ARG 128 HG3 ARG 128 3.252 10.924 18.550 1056 HD2 ARG 128 HD2 ARG 128 2.715 9.113 20.874 1057 HD3 ARG 128 HD3 ARG 128 3.020 10.846 20.863 1058 HE ARG 128 HE ARG 128 0.569 10.016 19.557 1059 HH11 ARG 128 HH11 ARG 128 2.058 11.078 22.549 1060 HH12 ARG 128 HH12 ARG 128 0.551 11.544 23.277 1061 HH21 ARG 128 HH21 ARG 128 -1.396 10.619 20.507 1062 HH22 ARG 128 HH22 ARG 128 -1.417 11.286 22.109 1063 H GLU 129 H GLU 129 2.426 6.107 17.540 1064 HA GLU 129 HA GLU 129 4.570 5.639 19.286 1065 HB2 GLU 129 HB2 GLU 129 2.910 3.627 17.755 1066 HB3 GLU 129 HB3 GLU 129 3.877 3.298 19.186 1067 HG2 GLU 129 HG2 GLU 129 2.463 4.609 20.558 1068 HG3 GLU 129 HG3 GLU 129 1.615 5.263 19.155 1069 H LEU 130 H LEU 130 4.322 5.336 15.833 1070 HA LEU 130 HA LEU 130 6.729 3.702 15.696 1071 HB2 LEU 130 HB2 LEU 130 6.129 4.115 13.107 1072 HB3 LEU 130 HB3 LEU 130 5.473 2.800 14.060 1073 HG LEU 130 HG LEU 130 3.998 5.405 13.885 1074 HD11 LEU 130 HD11 LEU 130 3.955 3.177 11.868 1075 HD12 LEU 130 HD12 LEU 130 4.440 4.850 11.599 1076 HD13 LEU 130 HD13 LEU 130 2.760 4.468 11.972 1077 HD21 LEU 130 HD21 LEU 130 3.126 3.864 15.491 1078 HD22 LEU 130 HD22 LEU 130 3.204 2.533 14.334 1079 HD23 LEU 130 HD23 LEU 130 2.053 3.845 14.089 1080 H TYR 131 H TYR 131 6.131 6.837 16.076 1081 HA TYR 131 HA TYR 131 8.728 7.504 14.863 1082 HB2 TYR 131 HB2 TYR 131 6.410 9.432 15.211 1083 HB3 TYR 131 HB3 TYR 131 7.984 9.806 14.522 1084 HD1 TYR 131 HD1 TYR 131 4.665 8.732 13.849 1085 HD2 TYR 131 HD2 TYR 131 8.641 8.572 12.353 1086 HE1 TYR 131 HE1 TYR 131 3.793 8.171 11.627 1087 HE2 TYR 131 HE2 TYR 131 7.784 8.009 10.116 1088 HH TYR 131 HH TYR 131 4.481 8.302 9.295 1089 H LYS 132 H LYS 132 9.908 7.179 16.711 1090 HA LYS 132 HA LYS 132 8.838 7.267 19.264 1091 HB2 LYS 132 HB2 LYS 132 10.906 6.049 18.591 1092 HB3 LYS 132 HB3 LYS 132 11.759 7.587 18.592 1093 HG2 LYS 132 HG2 LYS 132 11.397 7.863 20.940 1094 HG3 LYS 132 HG3 LYS 132 10.339 6.453 20.988 1095 HD2 LYS 132 HD2 LYS 132 12.259 5.044 20.313 1096 HD3 LYS 132 HD3 LYS 132 13.297 6.469 20.397 1097 HE2 LYS 132 HE2 LYS 132 13.462 5.133 22.436 1098 HE3 LYS 132 HE3 LYS 132 12.774 6.722 22.766 1099 HZ1 LYS 132 HZ1 LYS 132 11.578 4.974 23.923 1100 HZ2 LYS 132 HZ2 LYS 132 11.229 4.201 22.460 1101 HZ3 LYS 132 HZ3 LYS 132 10.573 5.726 22.790 1102 H LYS 133 H LYS 133 7.854 9.034 19.921 1103 HA LYS 133 HA LYS 133 9.074 11.647 19.804 1104 HB2 LYS 133 HB2 LYS 133 6.569 11.106 19.616 1105 HB3 LYS 133 HB3 LYS 133 6.611 10.825 21.348 1106 HG2 LYS 133 HG2 LYS 133 5.794 13.038 20.907 1107 HG3 LYS 133 HG3 LYS 133 7.377 13.145 21.678 1108 HD2 LYS 133 HD2 LYS 133 8.436 13.611 19.566 1109 HD3 LYS 133 HD3 LYS 133 6.927 13.323 18.701 1110 HE2 LYS 133 HE2 LYS 133 7.338 15.507 20.736 1111 HE3 LYS 133 HE3 LYS 133 7.486 15.730 18.997 1112 HZ1 LYS 133 HZ1 LYS 133 5.037 14.916 20.462 1113 HZ2 LYS 133 HZ2 LYS 133 5.165 15.020 18.780 1114 HZ3 LYS 133 HZ3 LYS 133 5.318 16.412 19.727 1115 H ARG 134 H ARG 134 9.566 12.877 21.785 1116 HA ARG 134 HA ARG 134 10.837 11.084 23.695 1117 HB2 ARG 134 HB2 ARG 134 11.082 14.082 23.336 1118 HB3 ARG 134 HB3 ARG 134 11.915 13.171 24.585 1119 HG2 ARG 134 HG2 ARG 134 13.470 13.529 22.829 1120 HG3 ARG 134 HG3 ARG 134 12.997 11.832 22.751 1121 HD2 ARG 134 HD2 ARG 134 11.309 12.507 21.008 1122 HD3 ARG 134 HD3 ARG 134 12.078 14.090 20.982 1123 HE ARG 134 HE ARG 134 14.041 12.128 20.582 1124 HH11 ARG 134 HH11 ARG 134 11.309 13.580 18.944 1125 HH12 ARG 134 HH12 ARG 134 11.862 13.153 17.357 1126 HH21 ARG 134 HH21 ARG 134 14.776 11.569 18.473 1127 HH22 ARG 134 HH22 ARG 134 13.829 12.016 17.094 1128 H GLN 135 H GLN 135 8.975 10.338 24.611 1129 HA GLN 135 HA GLN 135 7.173 12.216 25.908 1130 HB2 GLN 135 HB2 GLN 135 7.016 9.234 25.434 1131 HB3 GLN 135 HB3 GLN 135 5.789 10.153 26.299 1132 HG2 GLN 135 HG2 GLN 135 5.252 11.415 24.351 1133 HG3 GLN 135 HG3 GLN 135 6.635 10.765 23.478 1134 HE21 GLN 135 HE21 GLN 135 6.258 8.049 24.325 1135 HE22 GLN 135 HE22 GLN 135 4.881 7.449 23.463 1136 H LYS 136 H LYS 136 8.110 12.921 27.758 1137 HA LYS 136 HA LYS 136 9.310 10.982 29.575 1138 HB2 LYS 136 HB2 LYS 136 9.008 13.966 29.966 1139 HB3 LYS 136 HB3 LYS 136 10.072 12.884 30.852 1140 HG2 LYS 136 HG2 LYS 136 10.313 13.795 27.999 1141 HG3 LYS 136 HG3 LYS 136 11.428 14.089 29.332 1142 HD2 LYS 136 HD2 LYS 136 10.848 11.414 28.056 1143 HD3 LYS 136 HD3 LYS 136 12.296 12.389 27.805 1144 HE2 LYS 136 HE2 LYS 136 12.852 12.161 30.180 1145 HE3 LYS 136 HE3 LYS 136 11.401 11.189 30.425 1146 HZ1 LYS 136 HZ1 LYS 136 13.704 10.475 28.694 1147 HZ2 LYS 136 HZ2 LYS 136 12.299 9.556 28.863 1148 HZ3 LYS 136 HZ3 LYS 136 13.326 9.778 30.187 1149 H LYS 137 H LYS 137 6.873 10.270 29.336 1150 HA LYS 137 HA LYS 137 5.558 10.941 31.838 1151 HB2 LYS 137 HB2 LYS 137 4.574 12.528 30.240 1152 HB3 LYS 137 HB3 LYS 137 4.219 11.215 29.129 1153 HG2 LYS 137 HG2 LYS 137 2.206 11.854 30.246 1154 HG3 LYS 137 HG3 LYS 137 2.689 10.259 30.828 1155 HD2 LYS 137 HD2 LYS 137 3.712 11.335 32.804 1156 HD3 LYS 137 HD3 LYS 137 3.115 12.894 32.232 1157 HE2 LYS 137 HE2 LYS 137 0.831 12.125 32.414 1158 HE3 LYS 137 HE3 LYS 137 1.379 10.515 32.875 1159 HZ1 LYS 137 HZ1 LYS 137 0.703 11.789 34.802 1160 HZ2 LYS 137 HZ2 LYS 137 1.815 13.005 34.430 1161 HZ3 LYS 137 HZ3 LYS 137 2.360 11.467 34.868 1162 H LEU 138 H LEU 138 4.253 9.181 32.572 1163 HA LEU 138 HA LEU 138 4.801 6.665 31.326 1164 HB2 LEU 138 HB2 LEU 138 4.561 6.833 33.752 1165 HB3 LEU 138 HB3 LEU 138 2.898 7.353 33.568 1166 HG LEU 138 HG LEU 138 2.373 5.139 32.541 1167 HD11 LEU 138 HD11 LEU 138 3.972 3.313 32.821 1168 HD12 LEU 138 HD12 LEU 138 5.176 4.457 33.414 1169 HD13 LEU 138 HD13 LEU 138 4.599 4.568 31.752 1170 HD21 LEU 138 HD21 LEU 138 1.921 5.582 34.897 1171 HD22 LEU 138 HD22 LEU 138 3.551 5.053 35.318 1172 HD23 LEU 138 HD23 LEU 138 2.396 3.904 34.645 1173 H ALA 139 H ALA 139 3.975 7.206 29.240 1174 HA ALA 139 HA ALA 139 1.106 6.585 29.026 1175 HB1 ALA 139 HB1 ALA 139 1.025 7.893 26.962 1176 HB2 ALA 139 HB2 ALA 139 2.720 8.331 27.162 1177 HB3 ALA 139 HB3 ALA 139 1.520 8.901 28.322 1178 H SER 140 H SER 140 0.552 5.143 27.341 1179 HA SER 140 HA SER 140 2.808 3.493 26.474 1180 HB2 SER 140 HB2 SER 140 -0.145 2.843 26.414 1181 HB3 SER 140 HB3 SER 140 1.189 1.722 26.133 1182 HG SER 140 HG SER 140 1.402 3.072 28.498 1183 H SER 141 H SER 141 3.443 4.902 24.782 1184 HA SER 141 HA SER 141 2.075 4.312 22.314 1185 HB2 SER 141 HB2 SER 141 2.714 7.139 23.211 1186 HB3 SER 141 HB3 SER 141 2.329 6.703 21.546 1187 HG SER 141 HG SER 141 0.303 6.766 22.059 Start of MODEL 20 1 H1 ASP 1 HT1 ASP 1 -19.385 12.577 -9.631 2 H2 ASP 1 HT2 ASP 1 -19.147 13.119 -8.049 3 H3 ASP 1 HT3 ASP 1 -20.535 13.575 -8.902 4 HA ASP 1 HA ASP 1 -19.859 10.803 -8.133 5 HB2 ASP 1 HB2 ASP 1 -21.774 12.792 -6.906 6 HB3 ASP 1 HB3 ASP 1 -21.823 11.065 -6.570 7 HA PRO 2 HA PRO 2 -22.705 9.600 -11.213 8 HB2 PRO 2 HB2 PRO 2 -23.813 7.368 -10.099 9 HB3 PRO 2 HB3 PRO 2 -22.192 7.420 -10.795 10 HG2 PRO 2 HG2 PRO 2 -23.032 7.579 -7.934 11 HG3 PRO 2 HG3 PRO 2 -21.659 6.720 -8.654 12 HD2 PRO 2 HD2 PRO 2 -21.389 9.094 -7.378 13 HD3 PRO 2 HD3 PRO 2 -20.354 8.615 -8.738 14 H SER 3 H SER 3 -24.430 8.790 -8.189 15 HA SER 3 HA SER 3 -26.865 9.813 -9.423 16 HB2 SER 3 HB2 SER 3 -27.901 8.616 -7.397 17 HB3 SER 3 HB3 SER 3 -27.122 7.607 -8.617 18 HG SER 3 HG SER 3 -26.271 6.893 -6.747 19 H ARG 4 H ARG 4 -25.277 9.942 -6.247 20 HA ARG 4 HA ARG 4 -26.311 12.670 -5.886 21 HB2 ARG 4 HB2 ARG 4 -26.354 10.453 -3.830 22 HB3 ARG 4 HB3 ARG 4 -26.734 12.131 -3.495 23 HG2 ARG 4 HG2 ARG 4 -28.272 10.526 -5.509 24 HG3 ARG 4 HG3 ARG 4 -28.670 10.508 -3.792 25 HD2 ARG 4 HD2 ARG 4 -30.078 12.129 -4.737 26 HD3 ARG 4 HD3 ARG 4 -28.794 13.037 -3.944 27 HE ARG 4 HE ARG 4 -28.176 12.570 -6.679 28 HH11 ARG 4 HH11 ARG 4 -30.144 14.549 -4.563 29 HH12 ARG 4 HH12 ARG 4 -30.281 15.857 -5.695 30 HH21 ARG 4 HH21 ARG 4 -28.352 14.280 -8.176 31 HH22 ARG 4 HH22 ARG 4 -29.254 15.701 -7.768 32 H ARG 5 H ARG 5 -25.033 13.966 -4.467 33 HA ARG 5 HA ARG 5 -22.268 13.344 -4.295 34 HB2 ARG 5 HB2 ARG 5 -23.013 15.657 -4.341 35 HB3 ARG 5 HB3 ARG 5 -23.956 15.422 -2.880 36 HG2 ARG 5 HG2 ARG 5 -21.006 14.985 -2.807 37 HG3 ARG 5 HG3 ARG 5 -21.647 16.629 -2.795 38 HD2 ARG 5 HD2 ARG 5 -23.020 16.045 -0.831 39 HD3 ARG 5 HD3 ARG 5 -22.312 14.432 -0.834 40 HE ARG 5 HE ARG 5 -20.155 16.071 -0.698 41 HH11 ARG 5 HH11 ARG 5 -23.093 15.755 1.165 42 HH12 ARG 5 HH12 ARG 5 -22.381 16.334 2.633 43 HH21 ARG 5 HH21 ARG 5 -19.200 16.816 1.244 44 HH22 ARG 5 HH22 ARG 5 -20.163 16.934 2.681 45 H ALA 6 H ALA 6 -21.256 12.085 -2.844 46 HA ALA 6 HA ALA 6 -22.818 10.567 -1.039 47 HB1 ALA 6 HB1 ALA 6 -20.722 9.547 -0.320 48 HB2 ALA 6 HB2 ALA 6 -19.828 10.729 -1.282 49 HB3 ALA 6 HB3 ALA 6 -20.891 9.569 -2.079 50 HA PRO 7 HA PRO 7 -22.421 13.050 2.630 51 HB2 PRO 7 HB2 PRO 7 -23.416 11.130 4.276 52 HB3 PRO 7 HB3 PRO 7 -24.436 12.213 3.331 53 HG2 PRO 7 HG2 PRO 7 -23.733 9.364 2.886 54 HG3 PRO 7 HG3 PRO 7 -25.221 10.234 2.482 55 HD2 PRO 7 HD2 PRO 7 -23.260 9.561 0.677 56 HD3 PRO 7 HD3 PRO 7 -24.425 10.879 0.453 57 H THR 8 H THR 8 -21.375 12.751 4.767 58 HA THR 8 HA THR 8 -19.048 11.060 4.626 59 HB THR 8 HB THR 8 -18.799 11.975 7.064 60 HG1 THR 8 HG1 THR 8 -20.005 13.809 7.468 61 HG21 THR 8 HG21 THR 8 -17.415 12.641 5.151 62 HG22 THR 8 HG22 THR 8 -17.780 14.018 6.192 63 HG23 THR 8 HG23 THR 8 -18.646 13.808 4.669 64 H TRP 9 H TRP 9 -19.102 9.006 5.154 65 HA TRP 9 HA TRP 9 -21.322 7.627 6.026 66 HB2 TRP 9 HB2 TRP 9 -18.398 6.918 6.144 67 HB3 TRP 9 HB3 TRP 9 -19.662 5.794 6.618 68 HD1 TRP 9 HD1 TRP 9 -18.992 7.963 3.451 69 HE1 TRP 9 HE1 TRP 9 -19.406 6.468 1.398 70 HE3 TRP 9 HE3 TRP 9 -20.406 3.675 5.845 71 HZ2 TRP 9 HZ2 TRP 9 -20.236 3.808 0.873 72 HZ3 TRP 9 HZ3 TRP 9 -21.003 1.710 4.495 73 HH2 TRP 9 HH2 TRP 9 -20.921 1.782 2.059 74 H SER 10 H SER 10 -22.309 7.469 7.893 75 HA SER 10 HA SER 10 -21.141 8.273 10.374 76 HB2 SER 10 HB2 SER 10 -23.655 6.655 9.878 77 HB3 SER 10 HB3 SER 10 -23.244 7.538 11.346 78 HG SER 10 HG SER 10 -23.088 9.374 9.634 79 HA PRO 11 HA PRO 11 -18.922 4.675 11.595 80 HB2 PRO 11 HB2 PRO 11 -20.519 4.731 14.114 81 HB3 PRO 11 HB3 PRO 11 -18.767 4.662 13.893 82 HG2 PRO 11 HG2 PRO 11 -19.957 6.930 14.614 83 HG3 PRO 11 HG3 PRO 11 -18.600 6.936 13.475 84 HD2 PRO 11 HD2 PRO 11 -21.509 7.311 12.954 85 HD3 PRO 11 HD3 PRO 11 -20.111 8.041 12.142 86 H GLU 12 H GLU 12 -22.375 4.597 12.421 87 HA GLU 12 HA GLU 12 -22.709 1.835 12.628 88 HB2 GLU 12 HB2 GLU 12 -24.348 4.108 12.700 89 HB3 GLU 12 HB3 GLU 12 -25.008 3.105 11.416 90 HG2 GLU 12 HG2 GLU 12 -24.521 2.241 14.257 91 HG3 GLU 12 HG3 GLU 12 -26.081 2.652 13.550 92 H GLU 13 H GLU 13 -22.775 3.932 9.774 93 HA GLU 13 HA GLU 13 -23.768 1.907 8.026 94 HB2 GLU 13 HB2 GLU 13 -23.920 4.440 7.684 95 HB3 GLU 13 HB3 GLU 13 -22.245 4.359 7.153 96 HG2 GLU 13 HG2 GLU 13 -23.747 4.338 5.248 97 HG3 GLU 13 HG3 GLU 13 -22.884 2.806 5.372 98 H GLU 14 H GLU 14 -20.543 3.117 8.858 99 HA GLU 14 HA GLU 14 -19.238 1.416 6.959 100 HB2 GLU 14 HB2 GLU 14 -18.131 2.891 9.352 101 HB3 GLU 14 HB3 GLU 14 -17.153 2.008 8.184 102 HG2 GLU 14 HG2 GLU 14 -18.223 3.500 6.419 103 HG3 GLU 14 HG3 GLU 14 -18.766 4.495 7.768 104 H ALA 15 H ALA 15 -20.283 1.112 10.268 105 HA ALA 15 HA ALA 15 -18.972 -1.339 10.834 106 HB1 ALA 15 HB1 ALA 15 -19.956 0.040 12.594 107 HB2 ALA 15 HB2 ALA 15 -20.632 -1.590 12.618 108 HB3 ALA 15 HB3 ALA 15 -21.564 -0.257 11.934 109 H HIS 16 H HIS 16 -21.664 -0.461 8.928 110 HA HIS 16 HA HIS 16 -22.638 -3.169 8.610 111 HB2 HIS 16 HB2 HIS 16 -24.233 -1.255 8.723 112 HB3 HIS 16 HB3 HIS 16 -23.538 -0.626 7.235 113 HD1 HIS 16 HD1 HIS 16 -25.797 -0.847 5.992 114 HD2 HIS 16 HD2 HIS 16 -24.298 -4.434 7.440 115 HE1 HIS 16 HE1 HIS 16 -27.151 -2.663 4.883 116 HE2 HIS 16 HE2 HIS 16 -26.379 -4.793 5.965 117 H LEU 17 H LEU 17 -20.715 -0.763 6.996 118 HA LEU 17 HA LEU 17 -20.446 -2.021 4.489 119 HB2 LEU 17 HB2 LEU 17 -19.757 0.322 5.076 120 HB3 LEU 17 HB3 LEU 17 -18.390 -0.351 5.940 121 HG LEU 17 HG LEU 17 -17.561 -1.324 3.823 122 HD11 LEU 17 HD11 LEU 17 -18.561 -0.472 1.716 123 HD12 LEU 17 HD12 LEU 17 -19.915 0.141 2.662 124 HD13 LEU 17 HD13 LEU 17 -19.593 -1.591 2.600 125 HD21 LEU 17 HD21 LEU 17 -16.724 0.819 4.562 126 HD22 LEU 17 HD22 LEU 17 -18.080 1.639 3.783 127 HD23 LEU 17 HD23 LEU 17 -16.879 0.796 2.805 128 H ARG 18 H ARG 18 -18.510 -2.186 7.465 129 HA ARG 18 HA ARG 18 -16.808 -4.250 6.497 130 HB2 ARG 18 HB2 ARG 18 -15.923 -4.369 8.696 131 HB3 ARG 18 HB3 ARG 18 -16.288 -2.672 8.427 132 HG2 ARG 18 HG2 ARG 18 -18.372 -2.942 9.699 133 HG3 ARG 18 HG3 ARG 18 -17.955 -4.627 10.001 134 HD2 ARG 18 HD2 ARG 18 -15.831 -3.792 11.069 135 HD3 ARG 18 HD3 ARG 18 -16.509 -2.168 10.958 136 HE ARG 18 HE ARG 18 -18.229 -4.084 12.263 137 HH11 ARG 18 HH11 ARG 18 -15.689 -1.706 12.697 138 HH12 ARG 18 HH12 ARG 18 -15.975 -1.529 14.400 139 HH21 ARG 18 HH21 ARG 18 -18.602 -3.852 14.504 140 HH22 ARG 18 HH22 ARG 18 -17.636 -2.746 15.426 141 H GLU 19 H GLU 19 -19.885 -4.051 8.069 142 HA GLU 19 HA GLU 19 -20.193 -6.566 9.132 143 HB2 GLU 19 HB2 GLU 19 -21.795 -4.703 9.373 144 HB3 GLU 19 HB3 GLU 19 -22.296 -4.946 7.706 145 HG2 GLU 19 HG2 GLU 19 -23.910 -5.942 9.133 146 HG3 GLU 19 HG3 GLU 19 -23.017 -7.228 8.324 147 H LEU 20 H LEU 20 -20.951 -5.434 5.880 148 HA LEU 20 HA LEU 20 -21.745 -8.001 4.922 149 HB2 LEU 20 HB2 LEU 20 -21.926 -5.317 4.087 150 HB3 LEU 20 HB3 LEU 20 -21.042 -6.157 2.830 151 HG LEU 20 HG LEU 20 -23.621 -7.293 3.848 152 HD11 LEU 20 HD11 LEU 20 -24.061 -4.940 3.282 153 HD12 LEU 20 HD12 LEU 20 -24.828 -6.059 2.157 154 HD13 LEU 20 HD13 LEU 20 -23.357 -5.209 1.687 155 HD21 LEU 20 HD21 LEU 20 -22.203 -8.654 2.401 156 HD22 LEU 20 HD22 LEU 20 -22.203 -7.367 1.194 157 HD23 LEU 20 HD23 LEU 20 -23.704 -8.205 1.589 158 H TYR 21 H TYR 21 -18.750 -6.256 5.100 159 HA TYR 21 HA TYR 21 -17.342 -7.774 3.133 160 HB2 TYR 21 HB2 TYR 21 -16.499 -5.585 3.789 161 HB3 TYR 21 HB3 TYR 21 -16.343 -6.114 5.459 162 HD1 TYR 21 HD1 TYR 21 -14.302 -6.945 6.217 163 HD2 TYR 21 HD2 TYR 21 -15.070 -6.888 2.034 164 HE1 TYR 21 HE1 TYR 21 -11.992 -7.667 5.784 165 HE2 TYR 21 HE2 TYR 21 -12.764 -7.603 1.592 166 HH TYR 21 HH TYR 21 -10.634 -7.659 2.599 167 H LEU 22 H LEU 22 -17.432 -7.811 6.658 168 HA LEU 22 HA LEU 22 -15.710 -10.000 7.011 169 HB2 LEU 22 HB2 LEU 22 -17.944 -9.176 8.856 170 HB3 LEU 22 HB3 LEU 22 -16.461 -10.005 9.284 171 HG LEU 22 HG LEU 22 -16.592 -7.179 8.239 172 HD11 LEU 22 HD11 LEU 22 -17.644 -7.337 10.416 173 HD12 LEU 22 HD12 LEU 22 -16.106 -6.479 10.505 174 HD13 LEU 22 HD13 LEU 22 -16.215 -8.150 11.058 175 HD21 LEU 22 HD21 LEU 22 -14.296 -6.999 8.871 176 HD22 LEU 22 HD22 LEU 22 -14.477 -8.392 7.803 177 HD23 LEU 22 HD23 LEU 22 -14.302 -8.631 9.540 178 H ALA 23 H ALA 23 -18.979 -9.832 6.024 179 HA ALA 23 HA ALA 23 -19.694 -12.508 6.776 180 HB1 ALA 23 HB1 ALA 23 -21.353 -10.700 6.561 181 HB2 ALA 23 HB2 ALA 23 -21.742 -12.101 5.563 182 HB3 ALA 23 HB3 ALA 23 -21.051 -10.657 4.824 183 H ASN 24 H ASN 24 -18.470 -10.959 3.815 184 HA ASN 24 HA ASN 24 -18.621 -13.589 2.490 185 HB2 ASN 24 HB2 ASN 24 -18.723 -10.820 1.284 186 HB3 ASN 24 HB3 ASN 24 -18.627 -12.304 0.346 187 HD21 ASN 24 HD21 ASN 24 -20.632 -10.246 2.264 188 HD22 ASN 24 HD22 ASN 24 -22.128 -11.053 1.934 189 H LYS 25 H LYS 25 -16.396 -12.097 4.103 190 HA LYS 25 HA LYS 25 -14.372 -11.437 2.221 191 HB2 LYS 25 HB2 LYS 25 -12.855 -11.400 4.182 192 HB3 LYS 25 HB3 LYS 25 -14.310 -10.444 4.413 193 HG2 LYS 25 HG2 LYS 25 -15.285 -12.227 5.760 194 HG3 LYS 25 HG3 LYS 25 -13.841 -13.211 5.508 195 HD2 LYS 25 HD2 LYS 25 -13.867 -10.505 6.848 196 HD3 LYS 25 HD3 LYS 25 -13.888 -12.049 7.703 197 HE2 LYS 25 HE2 LYS 25 -11.742 -12.627 6.634 198 HE3 LYS 25 HE3 LYS 25 -11.724 -11.043 5.860 199 HZ1 LYS 25 HZ1 LYS 25 -11.679 -11.558 8.782 200 HZ2 LYS 25 HZ2 LYS 25 -11.713 -10.028 8.064 201 HZ3 LYS 25 HZ3 LYS 25 -10.376 -11.036 7.841 202 H ASP 26 H ASP 26 -15.337 -14.421 3.665 203 HA ASP 26 HA ASP 26 -12.817 -15.687 2.830 204 HB2 ASP 26 HB2 ASP 26 -13.686 -15.831 5.253 205 HB3 ASP 26 HB3 ASP 26 -14.891 -16.943 4.615 206 H VAL 27 H VAL 27 -15.507 -15.026 1.380 207 HA VAL 27 HA VAL 27 -16.211 -17.704 0.446 208 HB VAL 27 HB VAL 27 -17.442 -15.039 -0.282 209 HG11 VAL 27 HG11 VAL 27 -18.388 -17.851 -0.824 210 HG12 VAL 27 HG12 VAL 27 -17.745 -16.723 -2.017 211 HG13 VAL 27 HG13 VAL 27 -19.271 -16.373 -1.208 212 HG21 VAL 27 HG21 VAL 27 -17.797 -15.553 2.068 213 HG22 VAL 27 HG22 VAL 27 -18.393 -17.159 1.645 214 HG23 VAL 27 HG23 VAL 27 -19.304 -15.725 1.168 215 H GLU 28 H GLU 28 -14.882 -18.481 -1.030 216 HA GLU 28 HA GLU 28 -13.560 -16.721 -2.909 217 HB2 GLU 28 HB2 GLU 28 -13.394 -19.712 -2.513 218 HB3 GLU 28 HB3 GLU 28 -12.428 -18.798 -3.665 219 HG2 GLU 28 HG2 GLU 28 -11.401 -17.555 -1.861 220 HG3 GLU 28 HG3 GLU 28 -12.412 -18.394 -0.683 221 H GLY 29 H GLY 29 -13.760 -16.869 -5.145 222 HA2 GLY 29 HA2 GLY 29 -14.791 -17.529 -7.156 223 HA3 GLY 29 HA3 GLY 29 -15.976 -18.434 -6.224 224 H GLN 30 H GLN 30 -15.774 -15.630 -4.657 225 HA GLN 30 HA GLN 30 -17.714 -14.241 -6.367 226 HB2 GLN 30 HB2 GLN 30 -18.947 -15.391 -4.588 227 HB3 GLN 30 HB3 GLN 30 -17.918 -14.644 -3.374 228 HG2 GLN 30 HG2 GLN 30 -18.735 -12.417 -4.344 229 HG3 GLN 30 HG3 GLN 30 -19.999 -13.367 -5.092 230 HE21 GLN 30 HE21 GLN 30 -18.736 -12.107 -2.215 231 HE22 GLN 30 HE22 GLN 30 -20.076 -12.464 -1.199 232 H ASP 31 H ASP 31 -17.610 -12.019 -6.317 233 HA ASP 31 HA ASP 31 -15.302 -10.753 -5.182 234 HB2 ASP 31 HB2 ASP 31 -17.807 -9.675 -6.470 235 HB3 ASP 31 HB3 ASP 31 -16.509 -8.638 -5.889 236 H VAL 32 H VAL 32 -15.248 -10.671 -2.956 237 HA VAL 32 HA VAL 32 -17.442 -10.187 -1.281 238 HB VAL 32 HB VAL 32 -15.100 -10.795 -0.511 239 HG11 VAL 32 HG11 VAL 32 -13.801 -9.189 -1.741 240 HG12 VAL 32 HG12 VAL 32 -13.577 -8.898 -0.014 241 HG13 VAL 32 HG13 VAL 32 -14.644 -7.850 -0.958 242 HG21 VAL 32 HG21 VAL 32 -16.791 -10.199 1.096 243 HG22 VAL 32 HG22 VAL 32 -16.490 -8.483 0.831 244 HG23 VAL 32 HG23 VAL 32 -15.253 -9.488 1.584 245 H VAL 33 H VAL 33 -15.395 -8.137 -3.169 246 HA VAL 33 HA VAL 33 -16.035 -5.588 -2.378 247 HB VAL 33 HB VAL 33 -15.788 -6.335 -5.273 248 HG11 VAL 33 HG11 VAL 33 -16.134 -4.022 -4.919 249 HG12 VAL 33 HG12 VAL 33 -14.438 -4.243 -5.339 250 HG13 VAL 33 HG13 VAL 33 -14.902 -3.964 -3.663 251 HG21 VAL 33 HG21 VAL 33 -14.106 -7.671 -4.314 252 HG22 VAL 33 HG22 VAL 33 -13.612 -6.391 -3.209 253 HG23 VAL 33 HG23 VAL 33 -13.293 -6.234 -4.936 254 H GLU 34 H GLU 34 -17.533 -7.428 -5.037 255 HA GLU 34 HA GLU 34 -19.524 -5.477 -5.474 256 HB2 GLU 34 HB2 GLU 34 -18.750 -7.047 -7.236 257 HB3 GLU 34 HB3 GLU 34 -19.571 -8.351 -6.385 258 HG2 GLU 34 HG2 GLU 34 -21.699 -7.335 -6.724 259 HG3 GLU 34 HG3 GLU 34 -20.951 -5.868 -7.361 260 H ALA 35 H ALA 35 -19.413 -8.433 -3.575 261 HA ALA 35 HA ALA 35 -22.140 -8.724 -3.022 262 HB1 ALA 35 HB1 ALA 35 -21.464 -9.846 -0.961 263 HB2 ALA 35 HB2 ALA 35 -19.834 -9.193 -1.130 264 HB3 ALA 35 HB3 ALA 35 -20.448 -10.352 -2.311 265 H ILE 36 H ILE 36 -19.704 -6.691 -1.547 266 HA ILE 36 HA ILE 36 -21.381 -5.577 0.468 267 HB ILE 36 HB ILE 36 -18.773 -4.615 -0.702 268 HG12 ILE 36 HG12 ILE 36 -19.235 -6.040 1.909 269 HG13 ILE 36 HG13 ILE 36 -18.847 -6.892 0.417 270 HG21 ILE 36 HG21 ILE 36 -20.117 -3.815 1.868 271 HG22 ILE 36 HG22 ILE 36 -20.032 -2.830 0.406 272 HG23 ILE 36 HG23 ILE 36 -18.555 -3.245 1.279 273 HD11 ILE 36 HD11 ILE 36 -17.154 -4.825 1.786 274 HD12 ILE 36 HD12 ILE 36 -16.767 -5.612 0.256 275 HD13 ILE 36 HD13 ILE 36 -16.871 -6.562 1.734 276 H LEU 37 H LEU 37 -19.916 -4.161 -2.455 277 HA LEU 37 HA LEU 37 -21.222 -1.688 -2.132 278 HB2 LEU 37 HB2 LEU 37 -20.439 -1.230 -4.469 279 HB3 LEU 37 HB3 LEU 37 -19.206 -1.666 -3.313 280 HG LEU 37 HG LEU 37 -19.351 -4.031 -4.276 281 HD11 LEU 37 HD11 LEU 37 -21.382 -3.908 -5.533 282 HD12 LEU 37 HD12 LEU 37 -20.059 -4.028 -6.695 283 HD13 LEU 37 HD13 LEU 37 -20.832 -2.474 -6.396 284 HD21 LEU 37 HD21 LEU 37 -18.318 -1.781 -5.989 285 HD22 LEU 37 HD22 LEU 37 -17.811 -3.467 -6.065 286 HD23 LEU 37 HD23 LEU 37 -17.483 -2.512 -4.620 287 H ALA 38 H ALA 38 -22.367 -4.598 -3.485 288 HA ALA 38 HA ALA 38 -24.377 -3.379 -5.155 289 HB1 ALA 38 HB1 ALA 38 -25.198 -5.669 -5.433 290 HB2 ALA 38 HB2 ALA 38 -24.047 -6.213 -4.205 291 HB3 ALA 38 HB3 ALA 38 -23.462 -5.547 -5.731 292 H HIS 39 H HIS 39 -24.355 -5.115 -2.037 293 HA HIS 39 HA HIS 39 -27.209 -4.913 -1.785 294 HB2 HIS 39 HB2 HIS 39 -25.059 -5.849 0.112 295 HB3 HIS 39 HB3 HIS 39 -26.757 -5.785 0.564 296 HD1 HIS 39 HD1 HIS 39 -28.142 -7.775 -0.014 297 HD2 HIS 39 HD2 HIS 39 -24.553 -7.691 -2.108 298 HE1 HIS 39 HE1 HIS 39 -28.010 -9.980 -1.215 299 HE2 HIS 39 HE2 HIS 39 -25.775 -9.960 -2.368 300 H LEU 40 H LEU 40 -24.460 -3.067 -0.713 301 HA LEU 40 HA LEU 40 -26.070 -1.545 1.154 302 HB2 LEU 40 HB2 LEU 40 -23.184 -1.472 0.359 303 HB3 LEU 40 HB3 LEU 40 -23.894 -0.179 1.303 304 HG LEU 40 HG LEU 40 -24.432 -2.831 2.408 305 HD11 LEU 40 HD11 LEU 40 -21.600 -1.829 2.224 306 HD12 LEU 40 HD12 LEU 40 -22.241 -3.296 1.481 307 HD13 LEU 40 HD13 LEU 40 -22.154 -3.159 3.240 308 HD21 LEU 40 HD21 LEU 40 -23.187 -0.313 3.501 309 HD22 LEU 40 HD22 LEU 40 -23.709 -1.705 4.449 310 HD23 LEU 40 HD23 LEU 40 -24.896 -0.742 3.572 311 H ASN 41 H ASN 41 -27.564 -0.812 -0.566 312 HA ASN 41 HA ASN 41 -26.447 1.581 -1.869 313 HB2 ASN 41 HB2 ASN 41 -28.799 -0.163 -2.573 314 HB3 ASN 41 HB3 ASN 41 -28.696 1.497 -3.161 315 HD21 ASN 41 HD21 ASN 41 -28.636 -1.000 -4.659 316 HD22 ASN 41 HD22 ASN 41 -27.144 -1.002 -5.530 317 H THR 42 H THR 42 -26.993 1.340 0.852 318 HA THR 42 HA THR 42 -29.309 2.949 1.436 319 HB THR 42 HB THR 42 -28.791 1.524 3.204 320 HG1 THR 42 HG1 THR 42 -27.353 3.301 4.586 321 HG21 THR 42 HG21 THR 42 -26.522 1.253 4.180 322 HG22 THR 42 HG22 THR 42 -25.883 2.274 2.892 323 HG23 THR 42 HG23 THR 42 -26.631 0.724 2.503 324 H VAL 43 H VAL 43 -25.918 3.324 0.861 325 HA VAL 43 HA VAL 43 -26.186 6.251 0.995 326 HB VAL 43 HB VAL 43 -23.484 5.628 0.581 327 HG11 VAL 43 HG11 VAL 43 -24.334 7.484 1.905 328 HG12 VAL 43 HG12 VAL 43 -23.155 6.540 2.817 329 HG13 VAL 43 HG13 VAL 43 -24.879 6.356 3.146 330 HG21 VAL 43 HG21 VAL 43 -22.907 4.128 2.412 331 HG22 VAL 43 HG22 VAL 43 -23.922 3.313 1.222 332 HG23 VAL 43 HG23 VAL 43 -24.617 3.866 2.746 333 HA PRO 44 HA PRO 44 -25.878 5.691 -3.469 334 HB2 PRO 44 HB2 PRO 44 -26.517 8.464 -3.827 335 HB3 PRO 44 HB3 PRO 44 -27.564 7.070 -4.089 336 HG2 PRO 44 HG2 PRO 44 -27.908 8.965 -2.098 337 HG3 PRO 44 HG3 PRO 44 -28.606 7.337 -2.089 338 HD2 PRO 44 HD2 PRO 44 -26.210 8.386 -0.651 339 HD3 PRO 44 HD3 PRO 44 -27.401 7.171 -0.137 340 H ARG 45 H ARG 45 -23.782 5.484 -3.915 341 HA ARG 45 HA ARG 45 -22.164 7.852 -4.359 342 HB2 ARG 45 HB2 ARG 45 -20.508 5.948 -2.972 343 HB3 ARG 45 HB3 ARG 45 -20.760 7.646 -2.618 344 HG2 ARG 45 HG2 ARG 45 -21.986 7.175 -0.839 345 HG3 ARG 45 HG3 ARG 45 -22.997 6.048 -1.745 346 HD2 ARG 45 HD2 ARG 45 -20.321 5.009 -1.201 347 HD3 ARG 45 HD3 ARG 45 -21.224 5.404 0.253 348 HE ARG 45 HE ARG 45 -22.512 3.582 -0.112 349 HH11 ARG 45 HH11 ARG 45 -20.925 4.308 -3.155 350 HH12 ARG 45 HH12 ARG 45 -21.706 3.016 -4.004 351 HH21 ARG 45 HH21 ARG 45 -23.498 1.847 -1.258 352 HH22 ARG 45 HH22 ARG 45 -23.128 1.625 -2.936 353 H THR 46 H THR 46 -19.886 7.015 -5.160 354 HA THR 46 HA THR 46 -20.354 5.025 -7.191 355 HB THR 46 HB THR 46 -18.876 6.962 -7.637 356 HG1 THR 46 HG1 THR 46 -17.332 5.757 -8.721 357 HG21 THR 46 HG21 THR 46 -17.839 7.242 -5.470 358 HG22 THR 46 HG22 THR 46 -16.588 6.962 -6.678 359 HG23 THR 46 HG23 THR 46 -17.077 5.660 -5.594 360 H ARG 47 H ARG 47 -18.840 3.128 -7.398 361 HA ARG 47 HA ARG 47 -19.016 1.552 -5.041 362 HB2 ARG 47 HB2 ARG 47 -17.890 1.126 -7.780 363 HB3 ARG 47 HB3 ARG 47 -17.501 -0.025 -6.511 364 HG2 ARG 47 HG2 ARG 47 -19.409 -0.755 -7.854 365 HG3 ARG 47 HG3 ARG 47 -19.855 -0.493 -6.172 366 HD2 ARG 47 HD2 ARG 47 -21.571 0.371 -7.647 367 HD3 ARG 47 HD3 ARG 47 -20.797 1.688 -6.767 368 HE ARG 47 HE ARG 47 -19.512 1.331 -9.247 369 HH11 ARG 47 HH11 ARG 47 -22.554 2.438 -7.920 370 HH12 ARG 47 HH12 ARG 47 -22.869 3.538 -9.221 371 HH21 ARG 47 HH21 ARG 47 -19.915 2.800 -10.955 372 HH22 ARG 47 HH22 ARG 47 -21.365 3.754 -10.939 373 H LYS 48 H LYS 48 -16.491 3.407 -6.521 374 HA LYS 48 HA LYS 48 -14.194 2.573 -5.294 375 HB2 LYS 48 HB2 LYS 48 -13.903 4.238 -6.851 376 HB3 LYS 48 HB3 LYS 48 -15.240 5.194 -6.250 377 HG2 LYS 48 HG2 LYS 48 -12.784 4.949 -4.580 378 HG3 LYS 48 HG3 LYS 48 -12.768 5.998 -5.997 379 HD2 LYS 48 HD2 LYS 48 -14.885 7.050 -5.070 380 HD3 LYS 48 HD3 LYS 48 -14.549 6.175 -3.577 381 HE2 LYS 48 HE2 LYS 48 -13.690 8.417 -3.403 382 HE3 LYS 48 HE3 LYS 48 -12.343 7.282 -3.470 383 HZ1 LYS 48 HZ1 LYS 48 -13.362 8.852 -5.778 384 HZ2 LYS 48 HZ2 LYS 48 -12.022 7.822 -5.787 385 HZ3 LYS 48 HZ3 LYS 48 -11.990 9.240 -4.869 386 H GLN 49 H GLN 49 -16.838 4.333 -3.847 387 HA GLN 49 HA GLN 49 -15.624 5.225 -1.496 388 HB2 GLN 49 HB2 GLN 49 -18.440 4.464 -2.208 389 HB3 GLN 49 HB3 GLN 49 -18.024 4.966 -0.573 390 HG2 GLN 49 HG2 GLN 49 -17.280 6.653 -2.922 391 HG3 GLN 49 HG3 GLN 49 -18.899 6.718 -2.233 392 HE21 GLN 49 HE21 GLN 49 -16.735 8.714 -2.325 393 HE22 GLN 49 HE22 GLN 49 -16.468 9.180 -0.684 394 H ILE 50 H ILE 50 -17.414 2.218 -2.103 395 HA ILE 50 HA ILE 50 -17.292 1.131 0.447 396 HB ILE 50 HB ILE 50 -17.426 -0.183 -2.259 397 HG12 ILE 50 HG12 ILE 50 -19.700 -0.877 -1.197 398 HG13 ILE 50 HG13 ILE 50 -19.376 0.418 -0.054 399 HG21 ILE 50 HG21 ILE 50 -16.253 -1.750 -0.839 400 HG22 ILE 50 HG22 ILE 50 -17.897 -2.321 -1.131 401 HG23 ILE 50 HG23 ILE 50 -17.481 -1.573 0.413 402 HD11 ILE 50 HD11 ILE 50 -20.808 1.182 -1.848 403 HD12 ILE 50 HD12 ILE 50 -19.601 0.702 -3.040 404 HD13 ILE 50 HD13 ILE 50 -19.251 2.010 -1.909 405 H ILE 51 H ILE 51 -15.060 0.649 -2.268 406 HA ILE 51 HA ILE 51 -13.395 -1.193 -0.907 407 HB ILE 51 HB ILE 51 -12.789 0.581 -3.273 408 HG12 ILE 51 HG12 ILE 51 -12.794 -1.743 -4.404 409 HG13 ILE 51 HG13 ILE 51 -13.641 -2.283 -2.965 410 HG21 ILE 51 HG21 ILE 51 -11.106 -1.662 -2.163 411 HG22 ILE 51 HG22 ILE 51 -10.717 0.056 -2.099 412 HG23 ILE 51 HG23 ILE 51 -10.796 -0.769 -3.655 413 HD11 ILE 51 HD11 ILE 51 -15.469 -0.817 -3.419 414 HD12 ILE 51 HD12 ILE 51 -15.110 -1.737 -4.878 415 HD13 ILE 51 HD13 ILE 51 -14.592 -0.058 -4.747 416 H HIS 52 H HIS 52 -13.247 2.298 -1.340 417 HA HIS 52 HA HIS 52 -10.708 2.680 -0.221 418 HB2 HIS 52 HB2 HIS 52 -13.001 4.401 -0.902 419 HB3 HIS 52 HB3 HIS 52 -11.920 5.034 0.335 420 HD1 HIS 52 HD1 HIS 52 -10.193 6.493 -0.641 421 HD2 HIS 52 HD2 HIS 52 -11.215 3.388 -3.218 422 HE1 HIS 52 HE1 HIS 52 -8.736 6.786 -2.664 423 HE2 HIS 52 HE2 HIS 52 -9.509 5.018 -4.286 424 H HIS 53 H HIS 53 -13.932 2.786 1.329 425 HA HIS 53 HA HIS 53 -12.914 3.615 3.844 426 HB2 HIS 53 HB2 HIS 53 -15.466 2.158 3.174 427 HB3 HIS 53 HB3 HIS 53 -15.088 2.808 4.765 428 HD1 HIS 53 HD1 HIS 53 -14.179 5.557 4.289 429 HD2 HIS 53 HD2 HIS 53 -17.222 3.839 2.020 430 HE1 HIS 53 HE1 HIS 53 -15.440 7.480 3.291 431 HE2 HIS 53 HE2 HIS 53 -17.102 6.419 1.736 432 H LEU 54 H LEU 54 -13.381 0.461 2.420 433 HA LEU 54 HA LEU 54 -13.175 -1.059 4.791 434 HB2 LEU 54 HB2 LEU 54 -12.702 -1.758 1.905 435 HB3 LEU 54 HB3 LEU 54 -12.579 -2.937 3.196 436 HG LEU 54 HG LEU 54 -15.087 -1.351 2.625 437 HD11 LEU 54 HD11 LEU 54 -14.461 -2.787 0.715 438 HD12 LEU 54 HD12 LEU 54 -15.938 -3.318 1.514 439 HD13 LEU 54 HD13 LEU 54 -14.425 -4.176 1.801 440 HD21 LEU 54 HD21 LEU 54 -14.868 -2.238 4.919 441 HD22 LEU 54 HD22 LEU 54 -14.626 -3.855 4.257 442 HD23 LEU 54 HD23 LEU 54 -16.165 -3.027 4.022 443 H VAL 55 H VAL 55 -10.766 -0.115 2.371 444 HA VAL 55 HA VAL 55 -8.650 -1.466 3.779 445 HB VAL 55 HB VAL 55 -7.165 -0.617 2.099 446 HG11 VAL 55 HG11 VAL 55 -8.575 -2.469 1.439 447 HG12 VAL 55 HG12 VAL 55 -8.289 -1.408 0.059 448 HG13 VAL 55 HG13 VAL 55 -9.833 -1.353 0.910 449 HG21 VAL 55 HG21 VAL 55 -7.867 0.984 0.383 450 HG22 VAL 55 HG22 VAL 55 -7.946 1.697 1.995 451 HG23 VAL 55 HG23 VAL 55 -9.424 1.168 1.191 452 H GLN 56 H GLN 56 -10.101 1.645 3.799 453 HA GLN 56 HA GLN 56 -7.930 3.005 5.081 454 HB2 GLN 56 HB2 GLN 56 -10.697 3.653 4.254 455 HB3 GLN 56 HB3 GLN 56 -10.027 4.609 5.559 456 HG2 GLN 56 HG2 GLN 56 -8.128 5.217 4.135 457 HG3 GLN 56 HG3 GLN 56 -8.812 4.251 2.827 458 HE21 GLN 56 HE21 GLN 56 -10.653 4.972 1.780 459 HE22 GLN 56 HE22 GLN 56 -11.177 6.618 1.865 460 H MET 57 H MET 57 -10.652 1.121 6.107 461 HA MET 57 HA MET 57 -10.419 1.986 8.854 462 HB2 MET 57 HB2 MET 57 -12.129 -0.049 7.461 463 HB3 MET 57 HB3 MET 57 -12.039 0.005 9.217 464 HG2 MET 57 HG2 MET 57 -12.759 2.369 9.133 465 HG3 MET 57 HG3 MET 57 -12.950 2.215 7.390 466 HE1 MET 57 HE1 MET 57 -15.003 1.156 6.218 467 HE2 MET 57 HE2 MET 57 -15.979 -0.108 6.964 468 HE3 MET 57 HE3 MET 57 -14.254 -0.362 6.708 469 H GLY 58 H GLY 58 -8.599 0.078 6.937 470 HA2 GLY 58 HA2 GLY 58 -6.758 -1.192 7.480 471 HA3 GLY 58 HA3 GLY 58 -7.148 -0.954 9.176 472 H LEU 59 H LEU 59 -9.863 -2.112 7.682 473 HA LEU 59 HA LEU 59 -9.414 -4.749 8.796 474 HB2 LEU 59 HB2 LEU 59 -11.802 -5.131 8.268 475 HB3 LEU 59 HB3 LEU 59 -11.514 -3.762 9.321 476 HG LEU 59 HG LEU 59 -11.653 -2.372 7.119 477 HD11 LEU 59 HD11 LEU 59 -13.184 -4.845 6.342 478 HD12 LEU 59 HD12 LEU 59 -11.679 -4.289 5.611 479 HD13 LEU 59 HD13 LEU 59 -13.143 -3.320 5.459 480 HD21 LEU 59 HD21 LEU 59 -13.209 -2.150 8.936 481 HD22 LEU 59 HD22 LEU 59 -14.037 -3.630 8.455 482 HD23 LEU 59 HD23 LEU 59 -14.097 -2.208 7.414 483 H ALA 60 H ALA 60 -9.356 -3.180 5.788 484 HA ALA 60 HA ALA 60 -8.936 -5.773 4.446 485 HB1 ALA 60 HB1 ALA 60 -10.812 -4.561 3.478 486 HB2 ALA 60 HB2 ALA 60 -9.467 -4.630 2.339 487 HB3 ALA 60 HB3 ALA 60 -9.789 -3.146 3.232 488 H ASP 61 H ASP 61 -7.335 -5.488 2.521 489 HA ASP 61 HA ASP 61 -4.926 -4.437 3.719 490 HB2 ASP 61 HB2 ASP 61 -4.968 -6.629 2.526 491 HB3 ASP 61 HB3 ASP 61 -5.258 -5.760 1.020 492 H SER 62 H SER 62 -6.254 -4.094 0.421 493 HA SER 62 HA SER 62 -5.674 -1.269 0.357 494 HB2 SER 62 HB2 SER 62 -4.113 -3.151 -1.426 495 HB3 SER 62 HB3 SER 62 -4.036 -1.393 -1.461 496 HG SER 62 HG SER 62 -3.036 -3.194 0.471 497 H VAL 63 H VAL 63 -6.201 -0.335 -1.776 498 HA VAL 63 HA VAL 63 -8.606 -1.270 -2.885 499 HB VAL 63 HB VAL 63 -6.561 0.672 -3.992 500 HG11 VAL 63 HG11 VAL 63 -7.940 -0.224 -5.798 501 HG12 VAL 63 HG12 VAL 63 -8.306 1.472 -5.488 502 HG13 VAL 63 HG13 VAL 63 -9.398 0.216 -4.905 503 HG21 VAL 63 HG21 VAL 63 -7.561 1.347 -1.870 504 HG22 VAL 63 HG22 VAL 63 -9.170 1.142 -2.563 505 HG23 VAL 63 HG23 VAL 63 -8.093 2.388 -3.192 506 H LYS 64 H LYS 64 -5.306 -1.930 -3.538 507 HA LYS 64 HA LYS 64 -5.347 -2.801 -6.172 508 HB2 LYS 64 HB2 LYS 64 -3.648 -3.747 -3.865 509 HB3 LYS 64 HB3 LYS 64 -3.299 -4.045 -5.558 510 HG2 LYS 64 HG2 LYS 64 -3.231 -1.564 -5.893 511 HG3 LYS 64 HG3 LYS 64 -3.355 -1.396 -4.142 512 HD2 LYS 64 HD2 LYS 64 -1.164 -2.843 -5.630 513 HD3 LYS 64 HD3 LYS 64 -1.034 -1.243 -4.894 514 HE2 LYS 64 HE2 LYS 64 -1.308 -2.154 -2.703 515 HE3 LYS 64 HE3 LYS 64 -1.705 -3.746 -3.352 516 HZ1 LYS 64 HZ1 LYS 64 0.918 -2.399 -3.696 517 HZ2 LYS 64 HZ2 LYS 64 0.521 -3.967 -4.176 518 HZ3 LYS 64 HZ3 LYS 64 0.590 -3.581 -2.532 519 H ASP 65 H ASP 65 -6.357 -4.431 -3.250 520 HA ASP 65 HA ASP 65 -6.410 -7.037 -4.498 521 HB2 ASP 65 HB2 ASP 65 -5.881 -6.708 -2.079 522 HB3 ASP 65 HB3 ASP 65 -7.540 -6.185 -1.822 523 H PHE 66 H PHE 66 -8.568 -4.400 -4.003 524 HA PHE 66 HA PHE 66 -10.958 -6.007 -4.452 525 HB2 PHE 66 HB2 PHE 66 -10.549 -3.086 -3.837 526 HB3 PHE 66 HB3 PHE 66 -12.122 -3.776 -4.202 527 HD1 PHE 66 HD1 PHE 66 -13.460 -4.401 -2.455 528 HD2 PHE 66 HD2 PHE 66 -9.236 -4.326 -1.906 529 HE1 PHE 66 HE1 PHE 66 -13.761 -4.932 -0.078 530 HE2 PHE 66 HE2 PHE 66 -9.534 -4.856 0.472 531 HZ PHE 66 HZ PHE 66 -11.802 -5.149 1.399 532 H GLN 67 H GLN 67 -9.118 -3.426 -6.038 533 HA GLN 67 HA GLN 67 -11.001 -3.581 -8.289 534 HB2 GLN 67 HB2 GLN 67 -9.504 -1.203 -7.205 535 HB3 GLN 67 HB3 GLN 67 -10.386 -1.188 -8.726 536 HG2 GLN 67 HG2 GLN 67 -11.622 -1.790 -6.050 537 HG3 GLN 67 HG3 GLN 67 -11.622 -0.202 -6.819 538 HE21 GLN 67 HE21 GLN 67 -12.847 -3.460 -6.963 539 HE22 GLN 67 HE22 GLN 67 -14.134 -3.134 -8.072 540 H ARG 68 H ARG 68 -7.878 -2.047 -7.929 541 HA ARG 68 HA ARG 68 -6.882 -3.536 -10.252 542 HB2 ARG 68 HB2 ARG 68 -7.961 -1.298 -10.852 543 HB3 ARG 68 HB3 ARG 68 -6.638 -0.540 -9.982 544 HG2 ARG 68 HG2 ARG 68 -5.051 -1.637 -11.527 545 HG3 ARG 68 HG3 ARG 68 -6.427 -2.270 -12.436 546 HD2 ARG 68 HD2 ARG 68 -5.678 0.617 -12.010 547 HD3 ARG 68 HD3 ARG 68 -5.675 -0.280 -13.529 548 HE ARG 68 HE ARG 68 -8.243 -0.475 -12.807 549 HH11 ARG 68 HH11 ARG 68 -6.092 2.285 -12.896 550 HH12 ARG 68 HH12 ARG 68 -7.359 3.429 -13.198 551 HH21 ARG 68 HH21 ARG 68 -9.924 1.040 -13.193 552 HH22 ARG 68 HH22 ARG 68 -9.532 2.721 -13.384 553 H LYS 69 H LYS 69 -4.575 -3.606 -10.383 554 HA LYS 69 HA LYS 69 -3.277 -3.578 -7.845 555 HB2 LYS 69 HB2 LYS 69 -1.315 -4.365 -9.016 556 HB3 LYS 69 HB3 LYS 69 -2.728 -5.208 -9.629 557 HG2 LYS 69 HG2 LYS 69 -2.738 -3.867 -11.619 558 HG3 LYS 69 HG3 LYS 69 -1.448 -2.844 -10.984 559 HD2 LYS 69 HD2 LYS 69 0.051 -4.805 -10.954 560 HD3 LYS 69 HD3 LYS 69 -1.238 -5.778 -11.665 561 HE2 LYS 69 HE2 LYS 69 -1.240 -4.376 -13.644 562 HE3 LYS 69 HE3 LYS 69 -0.024 -3.322 -12.923 563 HZ1 LYS 69 HZ1 LYS 69 0.984 -4.854 -14.474 564 HZ2 LYS 69 HZ2 LYS 69 0.349 -6.179 -13.636 565 HZ3 LYS 69 HZ3 LYS 69 1.515 -5.197 -12.905 566 H GLY 70 H GLY 70 -3.977 -1.109 -9.913 567 HA2 GLY 70 HA2 GLY 70 -1.646 0.455 -9.944 568 HA3 GLY 70 HA3 GLY 70 -3.287 1.067 -10.088 569 H THR 71 H THR 71 -0.691 1.719 -8.492 570 HA THR 71 HA THR 71 -1.671 1.639 -5.783 571 HB THR 71 HB THR 71 0.524 3.167 -5.573 572 HG1 THR 71 HG1 THR 71 1.871 1.740 -7.282 573 HG21 THR 71 HG21 THR 71 1.751 1.083 -5.119 574 HG22 THR 71 HG22 THR 71 0.467 0.163 -5.903 575 HG23 THR 71 HG23 THR 71 0.132 1.066 -4.422 576 H HIS 72 H HIS 72 -2.751 3.169 -4.793 577 HA HIS 72 HA HIS 72 -3.390 5.678 -5.803 578 HB2 HIS 72 HB2 HIS 72 -4.076 6.269 -3.586 579 HB3 HIS 72 HB3 HIS 72 -4.430 4.560 -3.759 580 HD1 HIS 72 HD1 HIS 72 -2.395 2.979 -2.690 581 HD2 HIS 72 HD2 HIS 72 -2.718 6.900 -1.355 582 HE1 HIS 72 HE1 HIS 72 -0.994 3.110 -0.614 583 HE2 HIS 72 HE2 HIS 72 -1.521 5.372 0.359 584 H ILE 73 H ILE 73 -1.968 7.186 -6.424 585 HA ILE 73 HA ILE 73 0.369 7.550 -4.710 586 HB ILE 73 HB ILE 73 0.320 7.078 -7.624 587 HG12 ILE 73 HG12 ILE 73 1.152 5.520 -5.765 588 HG13 ILE 73 HG13 ILE 73 2.205 5.743 -7.164 589 HG21 ILE 73 HG21 ILE 73 1.167 9.255 -7.803 590 HG22 ILE 73 HG22 ILE 73 2.606 8.234 -7.760 591 HG23 ILE 73 HG23 ILE 73 2.095 9.107 -6.315 592 HD11 ILE 73 HD11 ILE 73 3.379 5.769 -4.977 593 HD12 ILE 73 HD12 ILE 73 2.499 7.246 -4.571 594 HD13 ILE 73 HD13 ILE 73 3.617 7.228 -5.935 595 H VAL 74 H VAL 74 0.003 9.283 -3.727 596 HA VAL 74 HA VAL 74 -0.992 11.711 -4.604 597 HB VAL 74 HB VAL 74 -0.561 11.927 -2.394 598 HG11 VAL 74 HG11 VAL 74 0.166 9.702 -1.979 599 HG12 VAL 74 HG12 VAL 74 1.368 10.761 -1.236 600 HG13 VAL 74 HG13 VAL 74 1.713 9.990 -2.783 601 HG21 VAL 74 HG21 VAL 74 2.220 12.552 -3.355 602 HG22 VAL 74 HG22 VAL 74 1.519 13.060 -1.821 603 HG23 VAL 74 HG23 VAL 74 0.857 13.674 -3.336 604 H LEU 75 H LEU 75 -0.158 13.351 -5.766 605 HA LEU 75 HA LEU 75 1.279 12.590 -7.975 606 HB2 LEU 75 HB2 LEU 75 -0.236 14.495 -7.884 607 HB3 LEU 75 HB3 LEU 75 0.916 15.363 -6.881 608 HG LEU 75 HG LEU 75 2.559 15.184 -8.761 609 HD11 LEU 75 HD11 LEU 75 1.572 13.292 -9.899 610 HD12 LEU 75 HD12 LEU 75 1.656 14.677 -10.990 611 HD13 LEU 75 HD13 LEU 75 0.119 14.228 -10.247 612 HD21 LEU 75 HD21 LEU 75 1.544 16.992 -10.075 613 HD22 LEU 75 HD22 LEU 75 1.303 17.241 -8.343 614 HD23 LEU 75 HD23 LEU 75 -0.022 16.641 -9.342 615 H TRP 76 H TRP 76 3.268 11.611 -7.432 616 HA TRP 76 HA TRP 76 5.295 13.257 -6.158 617 HB2 TRP 76 HB2 TRP 76 5.348 10.403 -7.159 618 HB3 TRP 76 HB3 TRP 76 6.754 11.223 -6.489 619 HD1 TRP 76 HD1 TRP 76 3.885 9.147 -5.484 620 HE1 TRP 76 HE1 TRP 76 3.677 9.044 -2.934 621 HE3 TRP 76 HE3 TRP 76 7.064 12.944 -4.288 622 HZ2 TRP 76 HZ2 TRP 76 4.719 10.403 -0.694 623 HZ3 TRP 76 HZ3 TRP 76 7.400 13.489 -1.913 624 HH2 TRP 76 HH2 TRP 76 6.246 12.247 -0.153 625 H THR 77 H THR 77 6.137 14.755 -7.420 626 HA THR 77 HA THR 77 7.104 13.974 -10.086 627 HB THR 77 HB THR 77 7.306 16.437 -10.492 628 HG1 THR 77 HG1 THR 77 5.672 17.406 -8.681 629 HG21 THR 77 HG21 THR 77 4.546 15.495 -9.701 630 HG22 THR 77 HG22 THR 77 5.316 15.239 -11.266 631 HG23 THR 77 HG23 THR 77 4.898 16.870 -10.745 632 H GLY 78 H GLY 78 9.269 15.023 -10.635 633 HA2 GLY 78 HA2 GLY 78 11.271 14.393 -8.822 634 HA3 GLY 78 HA3 GLY 78 11.462 15.530 -10.151 635 H ASP 79 H ASP 79 9.458 17.348 -9.205 636 HA ASP 79 HA ASP 79 10.965 18.996 -7.481 637 HB2 ASP 79 HB2 ASP 79 9.274 19.828 -9.098 638 HB3 ASP 79 HB3 ASP 79 8.007 19.108 -8.113 639 H GLN 80 H GLN 80 7.942 17.171 -6.908 640 HA GLN 80 HA GLN 80 7.818 17.829 -4.157 641 HB2 GLN 80 HB2 GLN 80 5.813 17.156 -5.380 642 HB3 GLN 80 HB3 GLN 80 6.485 15.549 -5.631 643 HG2 GLN 80 HG2 GLN 80 6.388 15.061 -3.302 644 HG3 GLN 80 HG3 GLN 80 5.955 16.724 -2.916 645 HE21 GLN 80 HE21 GLN 80 4.863 13.668 -4.050 646 HE22 GLN 80 HE22 GLN 80 3.178 14.040 -4.068 647 H GLU 81 H GLU 81 9.218 15.101 -5.892 648 HA GLU 81 HA GLU 81 9.804 13.490 -3.661 649 HB2 GLU 81 HB2 GLU 81 11.250 13.770 -6.301 650 HB3 GLU 81 HB3 GLU 81 11.588 12.510 -5.121 651 HG2 GLU 81 HG2 GLU 81 9.321 11.666 -5.357 652 HG3 GLU 81 HG3 GLU 81 8.953 12.946 -6.512 653 H LEU 82 H LEU 82 11.558 16.148 -5.188 654 HA LEU 82 HA LEU 82 13.846 16.023 -3.524 655 HB2 LEU 82 HB2 LEU 82 13.877 17.260 -5.616 656 HB3 LEU 82 HB3 LEU 82 12.639 18.351 -5.016 657 HG LEU 82 HG LEU 82 14.287 18.989 -3.186 658 HD11 LEU 82 HD11 LEU 82 16.190 17.581 -5.045 659 HD12 LEU 82 HD12 LEU 82 15.805 17.123 -3.388 660 HD13 LEU 82 HD13 LEU 82 16.657 18.632 -3.709 661 HD21 LEU 82 HD21 LEU 82 15.466 20.557 -4.631 662 HD22 LEU 82 HD22 LEU 82 13.755 20.448 -5.037 663 HD23 LEU 82 HD23 LEU 82 14.955 19.639 -6.047 664 H GLU 83 H GLU 83 10.812 17.855 -3.335 665 HA GLU 83 HA GLU 83 11.433 19.352 -1.058 666 HB2 GLU 83 HB2 GLU 83 8.758 18.356 -2.045 667 HB3 GLU 83 HB3 GLU 83 8.958 19.527 -0.744 668 HG2 GLU 83 HG2 GLU 83 9.778 19.853 -3.619 669 HG3 GLU 83 HG3 GLU 83 8.478 20.694 -2.775 670 H LEU 84 H LEU 84 9.956 16.152 -1.371 671 HA LEU 84 HA LEU 84 9.642 15.662 1.388 672 HB2 LEU 84 HB2 LEU 84 8.587 14.229 -0.270 673 HB3 LEU 84 HB3 LEU 84 10.155 13.732 -0.880 674 HG LEU 84 HG LEU 84 10.626 12.689 1.340 675 HD11 LEU 84 HD11 LEU 84 7.715 13.270 1.850 676 HD12 LEU 84 HD12 LEU 84 9.080 14.024 2.674 677 HD13 LEU 84 HD13 LEU 84 8.779 12.296 2.867 678 HD21 LEU 84 HD21 LEU 84 9.861 11.334 -0.518 679 HD22 LEU 84 HD22 LEU 84 8.182 11.707 -0.126 680 HD23 LEU 84 HD23 LEU 84 9.158 10.754 0.992 681 H GLN 85 H GLN 85 12.259 14.948 -0.865 682 HA GLN 85 HA GLN 85 14.004 13.604 0.804 683 HB2 GLN 85 HB2 GLN 85 14.139 13.967 -1.700 684 HB3 GLN 85 HB3 GLN 85 14.808 15.550 -1.361 685 HG2 GLN 85 HG2 GLN 85 16.055 13.056 -0.278 686 HG3 GLN 85 HG3 GLN 85 16.402 13.619 -1.906 687 HE21 GLN 85 HE21 GLN 85 16.376 16.438 -1.220 688 HE22 GLN 85 HE22 GLN 85 17.792 16.734 -0.281 689 H ARG 86 H ARG 86 13.932 17.113 0.106 690 HA ARG 86 HA ARG 86 16.018 17.818 1.848 691 HB2 ARG 86 HB2 ARG 86 13.646 19.510 1.039 692 HB3 ARG 86 HB3 ARG 86 15.164 20.104 1.692 693 HG2 ARG 86 HG2 ARG 86 16.287 19.063 -0.313 694 HG3 ARG 86 HG3 ARG 86 14.672 18.832 -0.980 695 HD2 ARG 86 HD2 ARG 86 15.880 21.465 -0.154 696 HD3 ARG 86 HD3 ARG 86 15.717 20.886 -1.806 697 HE ARG 86 HE ARG 86 13.249 20.962 -1.403 698 HH11 ARG 86 HH11 ARG 86 15.400 22.930 0.556 699 HH12 ARG 86 HH12 ARG 86 14.240 24.200 0.769 700 HH21 ARG 86 HH21 ARG 86 11.719 22.633 -1.101 701 HH22 ARG 86 HH22 ARG 86 12.150 24.023 -0.148 702 H LEU 87 H LEU 87 12.507 17.815 2.384 703 HA LEU 87 HA LEU 87 12.633 18.986 4.956 704 HB2 LEU 87 HB2 LEU 87 10.668 18.659 3.222 705 HB3 LEU 87 HB3 LEU 87 10.381 17.204 4.157 706 HG LEU 87 HG LEU 87 10.278 18.688 6.208 707 HD11 LEU 87 HD11 LEU 87 9.735 21.050 5.795 708 HD12 LEU 87 HD12 LEU 87 10.115 20.824 4.088 709 HD13 LEU 87 HD13 LEU 87 11.378 20.645 5.304 710 HD21 LEU 87 HD21 LEU 87 8.214 19.117 4.058 711 HD22 LEU 87 HD22 LEU 87 7.974 19.311 5.795 712 HD23 LEU 87 HD23 LEU 87 8.312 17.716 5.124 713 H PHE 88 H PHE 88 12.477 15.664 3.825 714 HA PHE 88 HA PHE 88 12.070 14.338 6.214 715 HB2 PHE 88 HB2 PHE 88 11.853 12.896 4.482 716 HB3 PHE 88 HB3 PHE 88 13.098 13.688 3.529 717 HD1 PHE 88 HD1 PHE 88 12.608 11.372 6.397 718 HD2 PHE 88 HD2 PHE 88 15.175 12.742 3.293 719 HE1 PHE 88 HE1 PHE 88 14.149 9.505 6.847 720 HE2 PHE 88 HE2 PHE 88 16.718 10.887 3.737 721 HZ PHE 88 HZ PHE 88 16.207 9.265 5.520 722 H GLU 89 H GLU 89 15.136 15.434 4.778 723 HA GLU 89 HA GLU 89 16.773 14.263 6.788 724 HB2 GLU 89 HB2 GLU 89 17.390 16.729 5.185 725 HB3 GLU 89 HB3 GLU 89 18.538 15.651 5.951 726 HG2 GLU 89 HG2 GLU 89 17.943 13.889 4.391 727 HG3 GLU 89 HG3 GLU 89 16.750 14.958 3.645 728 H GLU 90 H GLU 90 15.192 17.369 6.400 729 HA GLU 90 HA GLU 90 16.656 18.746 8.381 730 HB2 GLU 90 HB2 GLU 90 14.037 19.274 7.006 731 HB3 GLU 90 HB3 GLU 90 14.716 20.391 8.187 732 HG2 GLU 90 HG2 GLU 90 15.926 19.547 5.564 733 HG3 GLU 90 HG3 GLU 90 15.283 21.135 5.982 734 H PHE 91 H PHE 91 13.694 16.863 8.506 735 HA PHE 91 HA PHE 91 13.548 17.464 11.385 736 HB2 PHE 91 HB2 PHE 91 11.366 16.584 9.490 737 HB3 PHE 91 HB3 PHE 91 11.162 16.759 11.231 738 HD1 PHE 91 HD1 PHE 91 10.973 18.375 8.096 739 HD2 PHE 91 HD2 PHE 91 11.728 19.072 12.223 740 HE1 PHE 91 HE1 PHE 91 10.457 20.757 7.784 741 HE2 PHE 91 HE2 PHE 91 11.210 21.457 11.919 742 HZ PHE 91 HZ PHE 91 10.572 22.303 9.695 743 H ARG 92 H ARG 92 15.049 15.351 9.714 744 HA ARG 92 HA ARG 92 14.016 12.838 10.615 745 HB2 ARG 92 HB2 ARG 92 15.512 13.160 8.623 746 HB3 ARG 92 HB3 ARG 92 16.831 13.493 9.734 747 HG2 ARG 92 HG2 ARG 92 16.480 11.239 10.717 748 HG3 ARG 92 HG3 ARG 92 15.297 10.929 9.452 749 HD2 ARG 92 HD2 ARG 92 16.885 11.002 7.767 750 HD3 ARG 92 HD3 ARG 92 18.065 11.845 8.765 751 HE ARG 92 HE ARG 92 18.062 9.638 10.087 752 HH11 ARG 92 HH11 ARG 92 17.642 9.833 6.609 753 HH12 ARG 92 HH12 ARG 92 18.268 8.241 6.326 754 HH21 ARG 92 HH21 ARG 92 18.899 7.548 9.697 755 HH22 ARG 92 HH22 ARG 92 18.961 6.941 8.059 756 H ASP 93 H ASP 93 15.839 15.338 11.972 757 HA ASP 93 HA ASP 93 17.103 13.936 14.103 758 HB2 ASP 93 HB2 ASP 93 17.845 16.165 13.396 759 HB3 ASP 93 HB3 ASP 93 16.290 16.844 13.856 760 H SER 94 H SER 94 13.917 14.271 13.426 761 HA SER 94 HA SER 94 13.082 14.433 16.235 762 HB2 SER 94 HB2 SER 94 11.375 14.554 13.734 763 HB3 SER 94 HB3 SER 94 10.844 14.873 15.385 764 HG SER 94 HG SER 94 12.980 16.390 14.752 765 H ASP 95 H ASP 95 11.465 12.880 16.970 766 HA ASP 95 HA ASP 95 12.224 10.217 16.180 767 HB2 ASP 95 HB2 ASP 95 10.733 9.479 18.016 768 HB3 ASP 95 HB3 ASP 95 11.939 10.650 18.536 769 H ASP 96 H ASP 96 9.918 12.360 15.103 770 HA ASP 96 HA ASP 96 8.755 10.214 13.527 771 HB2 ASP 96 HB2 ASP 96 7.218 10.556 15.472 772 HB3 ASP 96 HB3 ASP 96 6.995 12.223 14.954 773 H VAL 97 H VAL 97 10.134 11.203 11.941 774 HA VAL 97 HA VAL 97 9.993 13.949 11.340 775 HB VAL 97 HB VAL 97 11.971 12.850 10.648 776 HG11 VAL 97 HG11 VAL 97 10.934 10.582 10.367 777 HG12 VAL 97 HG12 VAL 97 12.148 11.025 9.165 778 HG13 VAL 97 HG13 VAL 97 10.432 11.101 8.755 779 HG21 VAL 97 HG21 VAL 97 11.232 14.641 9.166 780 HG22 VAL 97 HG22 VAL 97 10.375 13.464 8.169 781 HG23 VAL 97 HG23 VAL 97 12.134 13.408 8.286 782 H LEU 98 H LEU 98 8.153 11.206 10.137 783 HA LEU 98 HA LEU 98 7.008 12.512 7.922 784 HB2 LEU 98 HB2 LEU 98 6.127 10.174 9.573 785 HB3 LEU 98 HB3 LEU 98 5.113 10.807 8.293 786 HG LEU 98 HG LEU 98 7.176 10.480 6.779 787 HD11 LEU 98 HD11 LEU 98 8.789 10.075 8.543 788 HD12 LEU 98 HD12 LEU 98 8.668 8.687 7.462 789 HD13 LEU 98 HD13 LEU 98 7.896 8.644 9.046 790 HD21 LEU 98 HD21 LEU 98 6.558 8.150 6.365 791 HD22 LEU 98 HD22 LEU 98 5.139 9.170 6.599 792 HD23 LEU 98 HD23 LEU 98 5.688 8.111 7.898 793 H GLY 99 H GLY 99 6.131 12.484 11.327 794 HA2 GLY 99 HA2 GLY 99 3.625 13.788 11.014 795 HA3 GLY 99 HA3 GLY 99 4.579 13.719 12.497 796 H HIS 100 H HIS 100 6.918 14.892 11.215 797 HA HIS 100 HA HIS 100 6.194 17.663 11.525 798 HB2 HIS 100 HB2 HIS 100 8.815 16.267 10.978 799 HB3 HIS 100 HB3 HIS 100 8.669 18.020 11.015 800 HD1 HIS 100 HD1 HIS 100 9.055 19.065 13.216 801 HD2 HIS 100 HD2 HIS 100 7.943 15.076 13.580 802 HE1 HIS 100 HE1 HIS 100 9.234 18.533 15.666 803 HE2 HIS 100 HE2 HIS 100 8.681 16.081 15.849 804 H ILE 101 H ILE 101 6.967 15.431 8.965 805 HA ILE 101 HA ILE 101 7.197 17.237 6.834 806 HB ILE 101 HB ILE 101 6.140 14.397 6.859 807 HG12 ILE 101 HG12 ILE 101 8.831 15.539 6.054 808 HG13 ILE 101 HG13 ILE 101 8.501 14.657 7.541 809 HG21 ILE 101 HG21 ILE 101 6.533 14.415 4.421 810 HG22 ILE 101 HG22 ILE 101 6.891 16.141 4.508 811 HG23 ILE 101 HG23 ILE 101 5.277 15.555 4.907 812 HD11 ILE 101 HD11 ILE 101 8.281 13.549 4.751 813 HD12 ILE 101 HD12 ILE 101 7.973 12.664 6.244 814 HD13 ILE 101 HD13 ILE 101 9.597 13.253 5.887 815 H MET 102 H MET 102 4.337 15.333 7.827 816 HA MET 102 HA MET 102 2.533 16.378 6.019 817 HB2 MET 102 HB2 MET 102 2.099 15.336 8.813 818 HB3 MET 102 HB3 MET 102 0.778 15.760 7.733 819 HG2 MET 102 HG2 MET 102 1.594 14.111 6.117 820 HG3 MET 102 HG3 MET 102 2.870 13.650 7.239 821 HE1 MET 102 HE1 MET 102 0.643 11.794 5.855 822 HE2 MET 102 HE2 MET 102 0.245 10.694 7.176 823 HE3 MET 102 HE3 MET 102 1.926 11.131 6.869 824 H LYS 103 H LYS 103 3.348 17.623 9.228 825 HA LYS 103 HA LYS 103 1.312 19.624 9.169 826 HB2 LYS 103 HB2 LYS 103 3.720 19.327 10.968 827 HB3 LYS 103 HB3 LYS 103 2.417 20.480 11.217 828 HG2 LYS 103 HG2 LYS 103 2.113 17.482 11.201 829 HG3 LYS 103 HG3 LYS 103 2.185 18.502 12.639 830 HD2 LYS 103 HD2 LYS 103 0.146 19.636 11.975 831 HD3 LYS 103 HD3 LYS 103 0.091 18.709 10.475 832 HE2 LYS 103 HE2 LYS 103 -1.452 17.780 12.109 833 HE3 LYS 103 HE3 LYS 103 -0.154 16.640 11.759 834 HZ1 LYS 103 HZ1 LYS 103 -0.624 16.748 14.120 835 HZ2 LYS 103 HZ2 LYS 103 -0.313 18.410 14.140 836 HZ3 LYS 103 HZ3 LYS 103 0.935 17.321 13.806 837 H ASN 104 H ASN 104 4.587 19.495 8.004 838 HA ASN 104 HA ASN 104 4.666 22.433 7.888 839 HB2 ASN 104 HB2 ASN 104 6.551 21.116 8.968 840 HB3 ASN 104 HB3 ASN 104 6.978 20.581 7.344 841 HD21 ASN 104 HD21 ASN 104 8.950 21.609 7.325 842 HD22 ASN 104 HD22 ASN 104 9.109 23.326 7.246 843 H ILE 105 H ILE 105 4.298 19.681 5.844 844 HA ILE 105 HA ILE 105 5.299 21.110 3.509 845 HB ILE 105 HB ILE 105 5.811 18.689 3.841 846 HG12 ILE 105 HG12 ILE 105 5.379 18.027 1.473 847 HG13 ILE 105 HG13 ILE 105 4.363 19.453 1.307 848 HG21 ILE 105 HG21 ILE 105 3.671 17.929 4.692 849 HG22 ILE 105 HG22 ILE 105 4.106 17.023 3.244 850 HG23 ILE 105 HG23 ILE 105 2.903 18.309 3.151 851 HD11 ILE 105 HD11 ILE 105 6.279 20.885 1.737 852 HD12 ILE 105 HD12 ILE 105 6.588 19.805 0.378 853 HD13 ILE 105 HD13 ILE 105 7.301 19.465 1.954 854 H THR 106 H THR 106 4.051 21.197 1.549 855 HA THR 106 HA THR 106 1.544 22.452 2.075 856 HB THR 106 HB THR 106 3.309 23.250 0.487 857 HG1 THR 106 HG1 THR 106 1.623 24.350 -0.163 858 HG21 THR 106 HG21 THR 106 3.876 21.163 -0.596 859 HG22 THR 106 HG22 THR 106 3.302 22.320 -1.797 860 HG23 THR 106 HG23 THR 106 2.243 21.023 -1.244 861 H ALA 107 H ALA 107 2.458 19.272 1.221 862 HA ALA 107 HA ALA 107 -0.212 18.729 0.103 863 HB1 ALA 107 HB1 ALA 107 0.749 16.775 -0.972 864 HB2 ALA 107 HB2 ALA 107 2.311 17.112 -0.224 865 HB3 ALA 107 HB3 ALA 107 1.648 18.226 -1.423 866 H LYS 108 H LYS 108 -1.565 17.508 1.253 867 HA LYS 108 HA LYS 108 -0.608 16.211 3.675 868 HB2 LYS 108 HB2 LYS 108 -3.328 16.745 2.511 869 HB3 LYS 108 HB3 LYS 108 -3.136 15.551 3.782 870 HG2 LYS 108 HG2 LYS 108 -3.841 17.716 4.665 871 HG3 LYS 108 HG3 LYS 108 -2.260 17.245 5.284 872 HD2 LYS 108 HD2 LYS 108 -2.186 18.869 2.834 873 HD3 LYS 108 HD3 LYS 108 -2.862 19.688 4.244 874 HE2 LYS 108 HE2 LYS 108 -0.260 18.186 4.368 875 HE3 LYS 108 HE3 LYS 108 -0.338 19.876 3.862 876 HZ1 LYS 108 HZ1 LYS 108 -1.394 18.869 6.447 877 HZ2 LYS 108 HZ2 LYS 108 -1.234 20.485 5.971 878 HZ3 LYS 108 HZ3 LYS 108 0.144 19.541 6.255 879 H ARG 109 H ARG 109 0.433 14.374 3.293 880 HA ARG 109 HA ARG 109 -0.664 12.543 1.272 881 HB2 ARG 109 HB2 ARG 109 2.131 12.447 2.404 882 HB3 ARG 109 HB3 ARG 109 1.525 11.685 0.935 883 HG2 ARG 109 HG2 ARG 109 1.267 13.881 -0.098 884 HG3 ARG 109 HG3 ARG 109 1.855 14.649 1.378 885 HD2 ARG 109 HD2 ARG 109 3.965 13.289 1.094 886 HD3 ARG 109 HD3 ARG 109 3.370 12.851 -0.508 887 HE ARG 109 HE ARG 109 3.337 15.326 -0.945 888 HH11 ARG 109 HH11 ARG 109 5.531 13.912 1.386 889 HH12 ARG 109 HH12 ARG 109 6.692 15.188 1.262 890 HH21 ARG 109 HH21 ARG 109 4.866 17.026 -1.110 891 HH22 ARG 109 HH22 ARG 109 6.316 16.960 -0.162 892 H SER 110 H SER 110 0.205 10.185 1.869 893 HA SER 110 HA SER 110 -0.890 9.654 4.529 894 HB2 SER 110 HB2 SER 110 -0.340 7.613 2.365 895 HB3 SER 110 HB3 SER 110 -1.422 7.462 3.751 896 HG SER 110 HG SER 110 -2.716 9.116 2.791 897 H ARG 111 H ARG 111 0.161 8.180 5.952 898 HA ARG 111 HA ARG 111 2.921 8.539 6.208 899 HB2 ARG 111 HB2 ARG 111 1.011 6.556 7.429 900 HB3 ARG 111 HB3 ARG 111 2.722 6.561 7.834 901 HG2 ARG 111 HG2 ARG 111 0.886 8.922 8.176 902 HG3 ARG 111 HG3 ARG 111 1.306 7.780 9.456 903 HD2 ARG 111 HD2 ARG 111 3.649 8.363 9.238 904 HD3 ARG 111 HD3 ARG 111 3.281 9.447 7.902 905 HE ARG 111 HE ARG 111 2.022 10.801 9.541 906 HH11 ARG 111 HH11 ARG 111 4.504 8.597 10.664 907 HH12 ARG 111 HH12 ARG 111 4.821 9.492 12.121 908 HH21 ARG 111 HH21 ARG 111 2.420 11.952 11.485 909 HH22 ARG 111 HH22 ARG 111 3.654 11.387 12.578 910 H ALA 112 H ALA 112 1.120 5.672 5.099 911 HA ALA 112 HA ALA 112 3.356 4.066 4.570 912 HB1 ALA 112 HB1 ALA 112 1.099 3.164 4.705 913 HB2 ALA 112 HB2 ALA 112 1.857 2.729 3.173 914 HB3 ALA 112 HB3 ALA 112 0.656 4.018 3.227 915 H ARG 113 H ARG 113 1.875 6.619 2.716 916 HA ARG 113 HA ARG 113 3.128 5.919 0.245 917 HB2 ARG 113 HB2 ARG 113 1.454 8.164 1.215 918 HB3 ARG 113 HB3 ARG 113 2.491 8.486 -0.168 919 HG2 ARG 113 HG2 ARG 113 0.653 6.122 -0.100 920 HG3 ARG 113 HG3 ARG 113 0.104 7.718 -0.615 921 HD2 ARG 113 HD2 ARG 113 0.757 6.373 -2.534 922 HD3 ARG 113 HD3 ARG 113 1.826 7.762 -2.344 923 HE ARG 113 HE ARG 113 3.455 6.187 -1.349 924 HH11 ARG 113 HH11 ARG 113 0.928 4.934 -3.437 925 HH12 ARG 113 HH12 ARG 113 1.850 3.543 -3.909 926 HH21 ARG 113 HH21 ARG 113 4.665 4.361 -1.998 927 HH22 ARG 113 HH22 ARG 113 3.962 3.224 -3.093 928 H ILE 114 H ILE 114 3.925 7.975 2.945 929 HA ILE 114 HA ILE 114 6.141 9.237 1.609 930 HB ILE 114 HB ILE 114 5.430 9.150 4.548 931 HG12 ILE 114 HG12 ILE 114 4.953 11.325 2.497 932 HG13 ILE 114 HG13 ILE 114 3.722 10.207 3.075 933 HG21 ILE 114 HG21 ILE 114 7.769 9.656 4.266 934 HG22 ILE 114 HG22 ILE 114 6.907 11.129 4.712 935 HG23 ILE 114 HG23 ILE 114 7.394 10.863 3.039 936 HD11 ILE 114 HD11 ILE 114 5.221 12.165 4.801 937 HD12 ILE 114 HD12 ILE 114 3.914 11.097 5.318 938 HD13 ILE 114 HD13 ILE 114 3.592 12.396 4.168 939 H VAL 115 H VAL 115 5.710 6.719 4.066 940 HA VAL 115 HA VAL 115 8.370 6.066 4.541 941 HB VAL 115 HB VAL 115 5.901 4.328 4.536 942 HG11 VAL 115 HG11 VAL 115 7.211 2.662 5.777 943 HG12 VAL 115 HG12 VAL 115 8.667 3.619 5.506 944 HG13 VAL 115 HG13 VAL 115 7.823 2.895 4.139 945 HG21 VAL 115 HG21 VAL 115 5.835 5.994 6.242 946 HG22 VAL 115 HG22 VAL 115 7.504 5.664 6.708 947 HG23 VAL 115 HG23 VAL 115 6.250 4.461 7.010 948 H ASP 116 H ASP 116 6.140 4.605 2.183 949 HA ASP 116 HA ASP 116 7.943 2.816 1.027 950 HB2 ASP 116 HB2 ASP 116 5.482 2.773 0.656 951 HB3 ASP 116 HB3 ASP 116 5.631 4.211 -0.348 952 H LYS 117 H LYS 117 7.329 6.204 0.391 953 HA LYS 117 HA LYS 117 8.720 6.305 -2.066 954 HB2 LYS 117 HB2 LYS 117 6.984 7.953 -1.161 955 HB3 LYS 117 HB3 LYS 117 8.302 8.648 -0.225 956 HG2 LYS 117 HG2 LYS 117 7.924 9.887 -2.285 957 HG3 LYS 117 HG3 LYS 117 9.521 9.136 -2.276 958 HD2 LYS 117 HD2 LYS 117 8.679 7.316 -3.676 959 HD3 LYS 117 HD3 LYS 117 7.073 8.049 -3.671 960 HE2 LYS 117 HE2 LYS 117 7.838 9.928 -4.895 961 HE3 LYS 117 HE3 LYS 117 9.523 9.466 -4.678 962 HZ1 LYS 117 HZ1 LYS 117 9.025 7.451 -6.006 963 HZ2 LYS 117 HZ2 LYS 117 8.875 8.897 -6.870 964 HZ3 LYS 117 HZ3 LYS 117 7.491 8.080 -6.333 965 H LEU 118 H LEU 118 9.688 6.951 1.293 966 HA LEU 118 HA LEU 118 12.280 7.905 0.756 967 HB2 LEU 118 HB2 LEU 118 11.417 6.212 3.095 968 HB3 LEU 118 HB3 LEU 118 12.891 7.145 2.992 969 HG LEU 118 HG LEU 118 10.083 8.135 3.341 970 HD11 LEU 118 HD11 LEU 118 11.221 7.508 5.338 971 HD12 LEU 118 HD12 LEU 118 11.229 9.272 5.258 972 HD13 LEU 118 HD13 LEU 118 12.685 8.358 4.841 973 HD21 LEU 118 HD21 LEU 118 11.136 9.526 1.608 974 HD22 LEU 118 HD22 LEU 118 12.520 9.788 2.670 975 HD23 LEU 118 HD23 LEU 118 10.933 10.410 3.120 976 H LEU 119 H LEU 119 11.123 4.635 1.453 977 HA LEU 119 HA LEU 119 13.555 3.281 1.254 978 HB2 LEU 119 HB2 LEU 119 10.691 2.498 0.911 979 HB3 LEU 119 HB3 LEU 119 11.942 1.356 0.469 980 HG LEU 119 HG LEU 119 11.118 0.907 2.709 981 HD11 LEU 119 HD11 LEU 119 13.246 0.840 3.880 982 HD12 LEU 119 HD12 LEU 119 13.924 1.996 2.734 983 HD13 LEU 119 HD13 LEU 119 13.438 0.392 2.185 984 HD21 LEU 119 HD21 LEU 119 12.107 3.672 3.421 985 HD22 LEU 119 HD22 LEU 119 11.533 2.458 4.567 986 HD23 LEU 119 HD23 LEU 119 10.421 3.148 3.384 987 H ALA 120 H ALA 120 11.283 4.317 -1.179 988 HA ALA 120 HA ALA 120 12.409 2.753 -3.282 989 HB1 ALA 120 HB1 ALA 120 10.615 5.163 -3.498 990 HB2 ALA 120 HB2 ALA 120 10.057 3.513 -3.227 991 HB3 ALA 120 HB3 ALA 120 10.888 3.928 -4.729 992 H LEU 121 H LEU 121 12.658 6.164 -2.316 993 HA LEU 121 HA LEU 121 14.468 6.919 -4.372 994 HB2 LEU 121 HB2 LEU 121 13.529 8.058 -1.789 995 HB3 LEU 121 HB3 LEU 121 14.999 8.708 -2.480 996 HG LEU 121 HG LEU 121 13.822 9.405 -4.459 997 HD11 LEU 121 HD11 LEU 121 11.354 8.223 -3.220 998 HD12 LEU 121 HD12 LEU 121 12.217 7.577 -4.617 999 HD13 LEU 121 HD13 LEU 121 11.432 9.153 -4.716 1000 HD21 LEU 121 HD21 LEU 121 12.329 11.071 -3.448 1001 HD22 LEU 121 HD22 LEU 121 13.849 10.917 -2.563 1002 HD23 LEU 121 HD23 LEU 121 12.380 10.172 -1.929 1003 H GLY 122 H GLY 122 14.813 5.282 -1.358 1004 HA2 GLY 122 HA2 GLY 122 16.711 4.321 -0.425 1005 HA3 GLY 122 HA3 GLY 122 17.680 5.077 -1.687 1006 H LEU 123 H LEU 123 15.388 6.778 0.346 1007 HA LEU 123 HA LEU 123 17.461 8.580 1.252 1008 HB2 LEU 123 HB2 LEU 123 14.508 8.424 1.865 1009 HB3 LEU 123 HB3 LEU 123 15.575 9.688 2.450 1010 HG LEU 123 HG LEU 123 14.803 9.148 -0.415 1011 HD11 LEU 123 HD11 LEU 123 14.286 11.459 1.444 1012 HD12 LEU 123 HD12 LEU 123 13.101 10.312 0.822 1013 HD13 LEU 123 HD13 LEU 123 13.896 11.439 -0.275 1014 HD21 LEU 123 HD21 LEU 123 16.183 11.083 -0.995 1015 HD22 LEU 123 HD22 LEU 123 17.152 9.772 -0.324 1016 HD23 LEU 123 HD23 LEU 123 16.757 11.172 0.672 1017 H VAL 124 H VAL 124 15.616 5.929 2.311 1018 HA VAL 124 HA VAL 124 17.385 5.589 4.620 1019 HB VAL 124 HB VAL 124 15.541 4.650 5.931 1020 HG11 VAL 124 HG11 VAL 124 16.072 6.980 6.298 1021 HG12 VAL 124 HG12 VAL 124 14.331 6.736 6.433 1022 HG13 VAL 124 HG13 VAL 124 15.010 7.459 4.976 1023 HG21 VAL 124 HG21 VAL 124 14.079 3.864 4.231 1024 HG22 VAL 124 HG22 VAL 124 13.865 5.486 3.578 1025 HG23 VAL 124 HG23 VAL 124 13.197 5.076 5.157 1026 H ALA 125 H ALA 125 17.382 3.323 5.304 1027 HA ALA 125 HA ALA 125 17.048 1.536 2.979 1028 HB1 ALA 125 HB1 ALA 125 19.333 1.644 3.807 1029 HB2 ALA 125 HB2 ALA 125 18.649 0.051 4.131 1030 HB3 ALA 125 HB3 ALA 125 18.785 1.233 5.433 1031 H GLU 126 H GLU 126 15.808 2.402 5.971 1032 HA GLU 126 HA GLU 126 13.978 0.174 6.006 1033 HB2 GLU 126 HB2 GLU 126 14.530 -0.505 8.279 1034 HB3 GLU 126 HB3 GLU 126 15.900 -0.739 7.200 1035 HG2 GLU 126 HG2 GLU 126 16.782 1.461 8.015 1036 HG3 GLU 126 HG3 GLU 126 15.507 1.444 9.227 1037 H ARG 127 H ARG 127 12.543 0.392 8.046 1038 HA ARG 127 HA ARG 127 11.514 3.064 7.899 1039 HB2 ARG 127 HB2 ARG 127 10.467 0.614 9.292 1040 HB3 ARG 127 HB3 ARG 127 9.637 2.165 9.260 1041 HG2 ARG 127 HG2 ARG 127 9.720 2.023 6.743 1042 HG3 ARG 127 HG3 ARG 127 10.246 0.347 6.946 1043 HD2 ARG 127 HD2 ARG 127 8.188 0.002 8.349 1044 HD3 ARG 127 HD3 ARG 127 7.677 1.611 7.835 1045 HE ARG 127 HE ARG 127 8.275 0.159 5.538 1046 HH11 ARG 127 HH11 ARG 127 5.952 0.039 8.149 1047 HH12 ARG 127 HH12 ARG 127 4.706 -0.685 7.186 1048 HH21 ARG 127 HH21 ARG 127 6.639 -0.784 4.256 1049 HH22 ARG 127 HH22 ARG 127 5.097 -1.156 4.965 1050 H ARG 128 H ARG 128 13.472 1.369 10.188 1051 HA ARG 128 HA ARG 128 12.839 2.485 12.609 1052 HB2 ARG 128 HB2 ARG 128 15.686 2.339 11.620 1053 HB3 ARG 128 HB3 ARG 128 15.137 2.289 13.285 1054 HG2 ARG 128 HG2 ARG 128 13.997 0.113 12.702 1055 HG3 ARG 128 HG3 ARG 128 14.899 0.168 11.184 1056 HD2 ARG 128 HD2 ARG 128 16.961 0.541 12.707 1057 HD3 ARG 128 HD3 ARG 128 15.929 -0.099 13.984 1058 HE ARG 128 HE ARG 128 16.350 -1.629 11.507 1059 HH11 ARG 128 HH11 ARG 128 16.673 -1.336 14.986 1060 HH12 ARG 128 HH12 ARG 128 17.221 -2.964 15.203 1061 HH21 ARG 128 HH21 ARG 128 17.040 -3.780 11.793 1062 HH22 ARG 128 HH22 ARG 128 17.424 -4.363 13.382 1063 H GLU 129 H GLU 129 14.781 3.946 10.053 1064 HA GLU 129 HA GLU 129 15.628 6.160 11.590 1065 HB2 GLU 129 HB2 GLU 129 15.609 5.770 8.599 1066 HB3 GLU 129 HB3 GLU 129 16.525 6.997 9.469 1067 HG2 GLU 129 HG2 GLU 129 16.870 4.013 9.692 1068 HG3 GLU 129 HG3 GLU 129 17.955 5.139 8.862 1069 H LEU 130 H LEU 130 12.643 5.572 10.091 1070 HA LEU 130 HA LEU 130 12.178 8.375 9.485 1071 HB2 LEU 130 HB2 LEU 130 9.763 6.873 9.291 1072 HB3 LEU 130 HB3 LEU 130 10.679 7.653 8.023 1073 HG LEU 130 HG LEU 130 11.179 4.842 9.003 1074 HD11 LEU 130 HD11 LEU 130 10.105 4.157 6.906 1075 HD12 LEU 130 HD12 LEU 130 9.680 5.839 6.591 1076 HD13 LEU 130 HD13 LEU 130 8.996 5.002 7.985 1077 HD21 LEU 130 HD21 LEU 130 12.500 4.585 6.980 1078 HD22 LEU 130 HD22 LEU 130 13.145 5.891 7.974 1079 HD23 LEU 130 HD23 LEU 130 12.189 6.267 6.538 1080 H TYR 131 H TYR 131 12.000 6.405 12.153 1081 HA TYR 131 HA TYR 131 10.626 8.522 13.585 1082 HB2 TYR 131 HB2 TYR 131 9.293 6.685 14.852 1083 HB3 TYR 131 HB3 TYR 131 8.698 7.252 13.299 1084 HD1 TYR 131 HD1 TYR 131 8.262 5.738 11.585 1085 HD2 TYR 131 HD2 TYR 131 10.669 4.496 14.868 1086 HE1 TYR 131 HE1 TYR 131 8.183 3.428 10.759 1087 HE2 TYR 131 HE2 TYR 131 10.601 2.179 14.044 1088 HH TYR 131 HH TYR 131 9.121 0.784 12.628 1089 H LYS 132 H LYS 132 13.283 7.855 13.505 1090 HA LYS 132 HA LYS 132 13.733 7.100 16.307 1091 HB2 LYS 132 HB2 LYS 132 14.546 5.192 15.251 1092 HB3 LYS 132 HB3 LYS 132 15.082 6.082 13.837 1093 HG2 LYS 132 HG2 LYS 132 16.825 7.126 15.423 1094 HG3 LYS 132 HG3 LYS 132 16.427 5.776 16.490 1095 HD2 LYS 132 HD2 LYS 132 17.171 4.182 14.944 1096 HD3 LYS 132 HD3 LYS 132 17.113 5.328 13.604 1097 HE2 LYS 132 HE2 LYS 132 18.955 6.601 14.764 1098 HE3 LYS 132 HE3 LYS 132 19.097 5.232 15.866 1099 HZ1 LYS 132 HZ1 LYS 132 19.687 3.812 14.077 1100 HZ2 LYS 132 HZ2 LYS 132 20.657 5.190 13.948 1101 HZ3 LYS 132 HZ3 LYS 132 19.323 4.990 12.916 1102 H LYS 133 H LYS 133 14.564 8.924 17.332 1103 HA LYS 133 HA LYS 133 16.394 10.488 15.659 1104 HB2 LYS 133 HB2 LYS 133 16.144 12.347 17.233 1105 HB3 LYS 133 HB3 LYS 133 14.638 11.906 16.443 1106 HG2 LYS 133 HG2 LYS 133 13.901 10.763 18.471 1107 HG3 LYS 133 HG3 LYS 133 15.421 11.181 19.263 1108 HD2 LYS 133 HD2 LYS 133 14.875 13.591 18.854 1109 HD3 LYS 133 HD3 LYS 133 13.294 13.078 18.270 1110 HE2 LYS 133 HE2 LYS 133 14.381 12.510 21.024 1111 HE3 LYS 133 HE3 LYS 133 13.286 13.831 20.632 1112 HZ1 LYS 133 HZ1 LYS 133 12.699 10.937 20.333 1113 HZ2 LYS 133 HZ2 LYS 133 11.645 12.198 19.912 1114 HZ3 LYS 133 HZ3 LYS 133 12.086 11.963 21.527 1115 H ARG 134 H ARG 134 17.821 8.685 16.090 1116 HA ARG 134 HA ARG 134 19.699 9.755 18.053 1117 HB2 ARG 134 HB2 ARG 134 18.964 6.866 17.682 1118 HB3 ARG 134 HB3 ARG 134 20.635 7.273 18.042 1119 HG2 ARG 134 HG2 ARG 134 19.681 6.789 20.113 1120 HG3 ARG 134 HG3 ARG 134 19.721 8.550 20.045 1121 HD2 ARG 134 HD2 ARG 134 17.352 8.485 19.252 1122 HD3 ARG 134 HD3 ARG 134 17.352 6.752 19.579 1123 HE ARG 134 HE ARG 134 17.852 8.777 21.669 1124 HH11 ARG 134 HH11 ARG 134 16.344 5.806 20.584 1125 HH12 ARG 134 HH12 ARG 134 15.541 5.517 22.094 1126 HH21 ARG 134 HH21 ARG 134 16.795 8.396 23.652 1127 HH22 ARG 134 HH22 ARG 134 15.787 7.000 23.834 1128 H GLN 135 H GLN 135 20.269 10.962 16.225 1129 HA GLN 135 HA GLN 135 21.282 9.421 13.949 1130 HB2 GLN 135 HB2 GLN 135 20.482 12.321 14.157 1131 HB3 GLN 135 HB3 GLN 135 21.184 11.591 12.717 1132 HG2 GLN 135 HG2 GLN 135 18.575 10.822 14.019 1133 HG3 GLN 135 HG3 GLN 135 18.771 11.726 12.517 1134 HE21 GLN 135 HE21 GLN 135 17.413 9.170 13.023 1135 HE22 GLN 135 HE22 GLN 135 18.176 8.005 11.978 1136 H LYS 136 H LYS 136 23.295 8.946 14.090 1137 HA LYS 136 HA LYS 136 25.242 11.073 14.605 1138 HB2 LYS 136 HB2 LYS 136 26.659 9.468 15.818 1139 HB3 LYS 136 HB3 LYS 136 25.105 9.663 16.616 1140 HG2 LYS 136 HG2 LYS 136 24.355 7.577 15.414 1141 HG3 LYS 136 HG3 LYS 136 26.038 7.352 14.938 1142 HD2 LYS 136 HD2 LYS 136 25.680 6.034 16.879 1143 HD3 LYS 136 HD3 LYS 136 26.631 7.433 17.381 1144 HE2 LYS 136 HE2 LYS 136 24.644 8.509 18.255 1145 HE3 LYS 136 HE3 LYS 136 23.638 7.194 17.655 1146 HZ1 LYS 136 HZ1 LYS 136 24.744 5.686 19.165 1147 HZ2 LYS 136 HZ2 LYS 136 24.087 6.982 20.023 1148 HZ3 LYS 136 HZ3 LYS 136 25.749 6.922 19.727 1149 H LYS 137 H LYS 137 27.549 9.690 13.983 1150 HA LYS 137 HA LYS 137 27.294 9.501 11.160 1151 HB2 LYS 137 HB2 LYS 137 29.345 10.327 12.269 1152 HB3 LYS 137 HB3 LYS 137 29.654 8.707 12.872 1153 HG2 LYS 137 HG2 LYS 137 29.366 9.183 9.935 1154 HG3 LYS 137 HG3 LYS 137 30.882 9.558 10.748 1155 HD2 LYS 137 HD2 LYS 137 31.464 7.417 10.547 1156 HD3 LYS 137 HD3 LYS 137 30.137 6.986 11.622 1157 HE2 LYS 137 HE2 LYS 137 29.957 5.701 9.601 1158 HE3 LYS 137 HE3 LYS 137 28.629 6.865 9.649 1159 HZ1 LYS 137 HZ1 LYS 137 31.146 7.094 8.076 1160 HZ2 LYS 137 HZ2 LYS 137 29.966 8.302 8.172 1161 HZ3 LYS 137 HZ3 LYS 137 29.596 6.816 7.464 1162 H LEU 138 H LEU 138 26.026 7.882 10.498 1163 HA LEU 138 HA LEU 138 27.411 5.297 10.488 1164 HB2 LEU 138 HB2 LEU 138 24.451 5.746 10.738 1165 HB3 LEU 138 HB3 LEU 138 25.107 4.280 10.056 1166 HG LEU 138 HG LEU 138 24.566 3.746 12.272 1167 HD11 LEU 138 HD11 LEU 138 26.692 3.244 13.337 1168 HD12 LEU 138 HD12 LEU 138 27.511 4.369 12.256 1169 HD13 LEU 138 HD13 LEU 138 26.754 2.914 11.605 1170 HD21 LEU 138 HD21 LEU 138 25.340 5.062 14.207 1171 HD22 LEU 138 HD22 LEU 138 24.214 5.938 13.170 1172 HD23 LEU 138 HD23 LEU 138 25.942 6.289 13.092 1173 H ALA 139 H ALA 139 26.794 4.044 8.481 1174 HA ALA 139 HA ALA 139 26.905 5.651 6.157 1175 HB1 ALA 139 HB1 ALA 139 26.608 3.574 4.928 1176 HB2 ALA 139 HB2 ALA 139 26.095 2.754 6.402 1177 HB3 ALA 139 HB3 ALA 139 27.751 3.342 6.251 1178 H SER 140 H SER 140 25.208 5.400 4.361 1179 HA SER 140 HA SER 140 22.832 6.603 5.206 1180 HB2 SER 140 HB2 SER 140 22.117 5.817 2.776 1181 HB3 SER 140 HB3 SER 140 23.311 7.093 3.013 1182 HG SER 140 HG SER 140 24.519 5.848 1.824 1183 H SER 141 H SER 141 21.227 5.743 6.303 1184 HA SER 141 HA SER 141 20.103 3.194 5.509 1185 HB2 SER 141 HB2 SER 141 20.918 3.765 8.375 1186 HB3 SER 141 HB3 SER 141 20.076 2.326 7.800 1187 HG SER 141 HG SER 141 22.370 2.818 6.413
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