NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
25449 | 2k8x | 15965 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 HA2 GLY 0 HA2 GLY 0 -24.452 5.601 -2.474 2 HA3 GLY 0 HA3 GLY 0 -25.852 6.641 -2.689 3 H ALA 1 H ALA 1 -25.806 6.998 -0.410 4 HA ALA 1 HA ALA 1 -27.520 5.283 1.064 5 HB1 ALA 1 HB1 ALA 1 -25.956 4.611 2.841 6 HB2 ALA 1 HB2 ALA 1 -24.619 5.282 1.908 7 HB3 ALA 1 HB3 ALA 1 -25.522 3.901 1.286 8 H GLY 2 H GLY 2 -24.841 7.563 1.498 9 HA2 GLY 2 HA2 GLY 2 -26.541 9.664 2.378 10 HA3 GLY 2 HA3 GLY 2 -25.718 8.909 3.741 11 H SER 3 H SER 3 -25.257 11.571 3.092 12 HA SER 3 HA SER 3 -23.043 11.872 1.318 13 HB2 SER 3 HB2 SER 3 -24.665 13.697 1.892 14 HB3 SER 3 HB3 SER 3 -23.946 13.766 3.501 15 HG SER 3 HG SER 3 -22.287 14.809 2.724 16 H SER 4 H SER 4 -23.379 11.774 4.854 17 HA SER 4 HA SER 4 -20.644 12.066 5.451 18 HB2 SER 4 HB2 SER 4 -21.395 10.908 7.640 19 HB3 SER 4 HB3 SER 4 -22.142 12.451 7.223 20 HG SER 4 HG SER 4 -23.240 9.902 7.304 21 H SER 5 H SER 5 -22.656 9.263 4.808 22 HA SER 5 HA SER 5 -20.725 7.306 5.481 23 HB2 SER 5 HB2 SER 5 -23.154 6.844 5.353 24 HB3 SER 5 HB3 SER 5 -23.093 7.080 3.607 25 HG SER 5 HG SER 5 -21.578 5.129 5.024 26 H LEU 6 H LEU 6 -21.674 8.820 2.400 27 HA LEU 6 HA LEU 6 -19.915 7.278 0.806 28 HB2 LEU 6 HB2 LEU 6 -21.890 8.530 -0.050 29 HB3 LEU 6 HB3 LEU 6 -21.015 10.025 0.219 30 HG LEU 6 HG LEU 6 -19.337 9.368 -1.435 31 HD11 LEU 6 HD11 LEU 6 -19.428 6.949 -1.122 32 HD12 LEU 6 HD12 LEU 6 -19.673 7.375 -2.817 33 HD13 LEU 6 HD13 LEU 6 -21.049 6.912 -1.816 34 HD21 LEU 6 HD21 LEU 6 -21.313 10.617 -2.156 35 HD22 LEU 6 HD22 LEU 6 -22.161 9.101 -2.461 36 HD23 LEU 6 HD23 LEU 6 -20.742 9.526 -3.419 37 H GLU 7 H GLU 7 -19.623 10.460 2.339 38 HA GLU 7 HA GLU 7 -17.071 11.117 1.419 39 HB2 GLU 7 HB2 GLU 7 -18.626 11.820 3.877 40 HB3 GLU 7 HB3 GLU 7 -16.940 12.302 3.751 41 HG2 GLU 7 HG2 GLU 7 -19.104 13.005 1.784 42 HG3 GLU 7 HG3 GLU 7 -18.483 14.065 3.050 43 H ALA 8 H ALA 8 -18.040 9.307 4.317 44 HA ALA 8 HA ALA 8 -15.500 8.880 5.382 45 HB1 ALA 8 HB1 ALA 8 -17.550 8.419 6.613 46 HB2 ALA 8 HB2 ALA 8 -16.503 7.001 6.586 47 HB3 ALA 8 HB3 ALA 8 -17.912 7.077 5.529 48 H VAL 9 H VAL 9 -17.396 6.716 3.269 49 HA VAL 9 HA VAL 9 -15.404 4.747 3.028 50 HB VAL 9 HB VAL 9 -17.631 5.404 1.092 51 HG11 VAL 9 HG11 VAL 9 -15.912 4.057 0.023 52 HG12 VAL 9 HG12 VAL 9 -17.360 3.091 0.310 53 HG13 VAL 9 HG13 VAL 9 -15.957 2.908 1.362 54 HG21 VAL 9 HG21 VAL 9 -17.493 3.454 3.386 55 HG22 VAL 9 HG22 VAL 9 -18.803 3.536 2.211 56 HG23 VAL 9 HG23 VAL 9 -18.498 4.901 3.286 57 H ARG 10 H ARG 10 -16.281 7.410 0.817 58 HA ARG 10 HA ARG 10 -14.410 6.787 -1.177 59 HB2 ARG 10 HB2 ARG 10 -16.249 8.294 -1.633 60 HB3 ARG 10 HB3 ARG 10 -15.651 9.443 -0.444 61 HG2 ARG 10 HG2 ARG 10 -13.605 9.729 -1.829 62 HG3 ARG 10 HG3 ARG 10 -14.344 8.697 -3.053 63 HD2 ARG 10 HD2 ARG 10 -15.500 11.281 -2.019 64 HD3 ARG 10 HD3 ARG 10 -14.619 11.098 -3.535 65 HE ARG 10 HE ARG 10 -16.562 9.316 -3.873 66 HH11 ARG 10 HH11 ARG 10 -16.717 12.606 -2.653 67 HH12 ARG 10 HH12 ARG 10 -18.331 12.869 -3.251 68 HH21 ARG 10 HH21 ARG 10 -18.666 9.680 -4.654 69 HH22 ARG 10 HH22 ARG 10 -19.432 11.218 -4.383 70 H ARG 11 H ARG 11 -14.173 9.084 1.541 71 HA ARG 11 HA ARG 11 -11.617 10.044 0.773 72 HB2 ARG 11 HB2 ARG 11 -13.289 11.214 2.260 73 HB3 ARG 11 HB3 ARG 11 -12.798 10.123 3.548 74 HG2 ARG 11 HG2 ARG 11 -10.624 11.024 3.620 75 HG3 ARG 11 HG3 ARG 11 -10.843 11.867 2.084 76 HD2 ARG 11 HD2 ARG 11 -12.234 12.465 4.691 77 HD3 ARG 11 HD3 ARG 11 -10.988 13.440 3.910 78 HE ARG 11 HE ARG 11 -13.784 13.198 3.107 79 HH11 ARG 11 HH11 ARG 11 -10.597 14.493 2.456 80 HH12 ARG 11 HH12 ARG 11 -11.169 15.682 1.326 81 HH21 ARG 11 HH21 ARG 11 -14.552 14.758 1.632 82 HH22 ARG 11 HH22 ARG 11 -13.414 15.823 0.856 83 H LYS 12 H LYS 12 -12.695 7.404 2.807 84 HA LYS 12 HA LYS 12 -10.188 6.830 3.986 85 HB2 LYS 12 HB2 LYS 12 -12.333 5.939 4.839 86 HB3 LYS 12 HB3 LYS 12 -12.479 4.942 3.400 87 HG2 LYS 12 HG2 LYS 12 -11.694 3.596 5.233 88 HG3 LYS 12 HG3 LYS 12 -10.408 3.762 4.035 89 HD2 LYS 12 HD2 LYS 12 -9.501 4.004 6.275 90 HD3 LYS 12 HD3 LYS 12 -9.385 5.535 5.404 91 HE2 LYS 12 HE2 LYS 12 -11.342 6.376 6.557 92 HE3 LYS 12 HE3 LYS 12 -11.564 4.827 7.368 93 HZ1 LYS 12 HZ1 LYS 12 -9.446 5.150 8.489 94 HZ2 LYS 12 HZ2 LYS 12 -10.502 6.435 8.817 95 HZ3 LYS 12 HZ3 LYS 12 -9.233 6.641 7.708 96 H ILE 13 H ILE 13 -11.821 5.433 1.120 97 HA ILE 13 HA ILE 13 -9.604 3.728 0.552 98 HB ILE 13 HB ILE 13 -10.743 3.224 -1.585 99 HG12 ILE 13 HG12 ILE 13 -13.244 4.144 -1.525 100 HG13 ILE 13 HG13 ILE 13 -12.464 5.509 -0.734 101 HG21 ILE 13 HG21 ILE 13 -12.684 2.125 -0.584 102 HG22 ILE 13 HG22 ILE 13 -12.495 3.118 0.861 103 HG23 ILE 13 HG23 ILE 13 -11.244 1.959 0.420 104 HD11 ILE 13 HD11 ILE 13 -10.984 5.764 -2.667 105 HD12 ILE 13 HD12 ILE 13 -12.686 5.894 -3.111 106 HD13 ILE 13 HD13 ILE 13 -11.796 4.412 -3.457 107 H ARG 14 H ARG 14 -10.479 6.966 -0.408 108 HA ARG 14 HA ARG 14 -8.615 7.124 -2.569 109 HB2 ARG 14 HB2 ARG 14 -10.610 8.648 -2.223 110 HB3 ARG 14 HB3 ARG 14 -9.692 9.437 -0.949 111 HG2 ARG 14 HG2 ARG 14 -7.969 10.059 -2.557 112 HG3 ARG 14 HG3 ARG 14 -8.866 9.246 -3.840 113 HD2 ARG 14 HD2 ARG 14 -9.361 11.554 -4.025 114 HD3 ARG 14 HD3 ARG 14 -10.786 10.788 -3.329 115 HE ARG 14 HE ARG 14 -9.421 11.606 -1.139 116 HH11 ARG 14 HH11 ARG 14 -10.483 13.232 -4.061 117 HH12 ARG 14 HH12 ARG 14 -10.547 14.804 -3.315 118 HH21 ARG 14 HH21 ARG 14 -9.512 13.684 -0.159 119 HH22 ARG 14 HH22 ARG 14 -10.021 15.050 -1.103 120 H SER 15 H SER 15 -8.540 7.969 0.863 121 HA SER 15 HA SER 15 -5.902 8.994 0.884 122 HB2 SER 15 HB2 SER 15 -7.627 9.292 2.710 123 HB3 SER 15 HB3 SER 15 -7.323 7.620 3.181 124 HG SER 15 HG SER 15 -5.830 8.524 4.382 125 H LEU 16 H LEU 16 -7.272 5.773 1.227 126 HA LEU 16 HA LEU 16 -4.947 4.369 1.888 127 HB2 LEU 16 HB2 LEU 16 -7.173 3.361 1.933 128 HB3 LEU 16 HB3 LEU 16 -7.289 3.501 0.190 129 HG LEU 16 HG LEU 16 -5.382 1.912 -0.024 130 HD11 LEU 16 HD11 LEU 16 -4.694 0.612 1.916 131 HD12 LEU 16 HD12 LEU 16 -5.733 1.587 2.955 132 HD13 LEU 16 HD13 LEU 16 -4.346 2.325 2.154 133 HD21 LEU 16 HD21 LEU 16 -7.757 0.914 1.545 134 HD22 LEU 16 HD22 LEU 16 -6.665 -0.084 0.585 135 HD23 LEU 16 HD23 LEU 16 -7.677 1.126 -0.204 136 H GLN 17 H GLN 17 -6.300 5.214 -1.286 137 HA GLN 17 HA GLN 17 -4.277 4.038 -2.844 138 HB2 GLN 17 HB2 GLN 17 -6.041 6.416 -3.459 139 HB3 GLN 17 HB3 GLN 17 -5.043 5.579 -4.643 140 HG2 GLN 17 HG2 GLN 17 -6.309 3.541 -4.306 141 HG3 GLN 17 HG3 GLN 17 -7.274 4.323 -3.056 142 HE21 GLN 17 HE21 GLN 17 -9.188 3.993 -4.132 143 HE22 GLN 17 HE22 GLN 17 -9.625 4.863 -5.566 144 H GLU 18 H GLU 18 -4.551 7.249 -1.399 145 HA GLU 18 HA GLU 18 -2.200 8.354 -2.472 146 HB2 GLU 18 HB2 GLU 18 -3.815 9.761 -1.355 147 HB3 GLU 18 HB3 GLU 18 -3.608 8.879 0.152 148 HG2 GLU 18 HG2 GLU 18 -1.422 9.741 0.456 149 HG3 GLU 18 HG3 GLU 18 -1.390 10.409 -1.177 150 H GLN 19 H GLN 19 -2.795 6.615 0.565 151 HA GLN 19 HA GLN 19 -0.190 6.494 1.525 152 HB2 GLN 19 HB2 GLN 19 -2.182 5.785 2.797 153 HB3 GLN 19 HB3 GLN 19 -2.351 4.384 1.749 154 HG2 GLN 19 HG2 GLN 19 -0.125 3.609 2.522 155 HG3 GLN 19 HG3 GLN 19 -0.093 4.965 3.649 156 HE21 GLN 19 HE21 GLN 19 -0.028 3.637 5.449 157 HE22 GLN 19 HE22 GLN 19 -1.391 2.705 5.971 158 H ASN 20 H ASN 20 -1.850 4.429 -0.802 159 HA ASN 20 HA ASN 20 0.031 2.403 -1.110 160 HB2 ASN 20 HB2 ASN 20 -2.018 3.592 -2.939 161 HB3 ASN 20 HB3 ASN 20 -0.878 2.415 -3.573 162 HD21 ASN 20 HD21 ASN 20 -2.152 2.350 -0.304 163 HD22 ASN 20 HD22 ASN 20 -3.074 0.904 -0.510 164 H TYR 21 H TYR 21 -0.314 5.318 -3.145 165 HA TYR 21 HA TYR 21 2.088 4.790 -4.575 166 HB2 TYR 21 HB2 TYR 21 0.446 7.320 -4.345 167 HB3 TYR 21 HB3 TYR 21 1.800 7.113 -5.454 168 HD1 TYR 21 HD1 TYR 21 1.638 5.255 -7.206 169 HD2 TYR 21 HD2 TYR 21 -1.706 6.604 -4.945 170 HE1 TYR 21 HE1 TYR 21 0.117 4.282 -8.878 171 HE2 TYR 21 HE2 TYR 21 -3.234 5.636 -6.609 172 HH TYR 21 HH TYR 21 -3.265 4.942 -8.903 173 H HIS 22 H HIS 22 1.320 6.737 -1.745 174 HA HIS 22 HA HIS 22 3.779 8.115 -1.597 175 HB2 HIS 22 HB2 HIS 22 1.783 8.795 -0.306 176 HB3 HIS 22 HB3 HIS 22 1.942 7.345 0.684 177 HD1 HIS 22 HD1 HIS 22 3.482 10.694 0.074 178 HD2 HIS 22 HD2 HIS 22 3.972 7.449 2.623 179 HE1 HIS 22 HE1 HIS 22 5.088 11.464 1.849 180 HE2 HIS 22 HE2 HIS 22 5.570 9.395 3.207 181 H LEU 23 H LEU 23 2.663 5.142 0.009 182 HA LEU 23 HA LEU 23 5.038 4.634 1.420 183 HB2 LEU 23 HB2 LEU 23 2.793 3.590 1.820 184 HB3 LEU 23 HB3 LEU 23 3.037 2.617 0.385 185 HG LEU 23 HG LEU 23 5.007 2.479 2.649 186 HD11 LEU 23 HD11 LEU 23 2.431 0.925 2.432 187 HD12 LEU 23 HD12 LEU 23 2.793 2.156 3.641 188 HD13 LEU 23 HD13 LEU 23 3.713 0.652 3.613 189 HD21 LEU 23 HD21 LEU 23 5.279 0.183 1.808 190 HD22 LEU 23 HD22 LEU 23 5.617 1.385 0.565 191 HD23 LEU 23 HD23 LEU 23 4.085 0.512 0.553 192 H GLU 24 H GLU 24 3.949 3.697 -1.795 193 HA GLU 24 HA GLU 24 5.952 1.927 -2.520 194 HB2 GLU 24 HB2 GLU 24 3.860 2.547 -3.803 195 HB3 GLU 24 HB3 GLU 24 4.710 3.987 -4.349 196 HG2 GLU 24 HG2 GLU 24 6.460 2.478 -5.305 197 HG3 GLU 24 HG3 GLU 24 5.405 1.120 -4.916 198 H ASN 25 H ASN 25 5.862 5.457 -3.041 199 HA ASN 25 HA ASN 25 8.541 5.570 -4.027 200 HB2 ASN 25 HB2 ASN 25 6.606 7.703 -3.123 201 HB3 ASN 25 HB3 ASN 25 8.243 8.082 -3.651 202 HD21 ASN 25 HD21 ASN 25 5.088 7.008 -4.633 203 HD22 ASN 25 HD22 ASN 25 5.362 7.122 -6.340 204 H GLU 26 H GLU 26 7.064 5.905 -0.883 205 HA GLU 26 HA GLU 26 9.201 7.108 0.484 206 HB2 GLU 26 HB2 GLU 26 6.805 6.721 1.293 207 HB3 GLU 26 HB3 GLU 26 7.312 5.086 1.686 208 HG2 GLU 26 HG2 GLU 26 7.454 6.318 3.682 209 HG3 GLU 26 HG3 GLU 26 9.111 6.115 3.116 210 H VAL 27 H VAL 27 8.312 3.674 0.149 211 HA VAL 27 HA VAL 27 10.649 2.750 1.494 212 HB VAL 27 HB VAL 27 8.528 1.444 1.379 213 HG11 VAL 27 HG11 VAL 27 8.043 0.100 -0.596 214 HG12 VAL 27 HG12 VAL 27 9.371 0.876 -1.458 215 HG13 VAL 27 HG13 VAL 27 7.969 1.824 -0.964 216 HG21 VAL 27 HG21 VAL 27 10.603 0.376 2.049 217 HG22 VAL 27 HG22 VAL 27 10.993 0.038 0.361 218 HG23 VAL 27 HG23 VAL 27 9.607 -0.744 1.120 219 H ALA 28 H ALA 28 9.873 3.489 -1.835 220 HA ALA 28 HA ALA 28 12.021 2.188 -3.095 221 HB1 ALA 28 HB1 ALA 28 10.185 3.187 -4.349 222 HB2 ALA 28 HB2 ALA 28 11.735 3.825 -4.897 223 HB3 ALA 28 HB3 ALA 28 10.704 4.796 -3.847 224 H ARG 29 H ARG 29 11.770 5.515 -1.861 225 HA ARG 29 HA ARG 29 14.489 6.185 -2.265 226 HB2 ARG 29 HB2 ARG 29 12.861 7.930 -1.997 227 HB3 ARG 29 HB3 ARG 29 12.365 7.304 -0.432 228 HG2 ARG 29 HG2 ARG 29 14.455 7.960 0.555 229 HG3 ARG 29 HG3 ARG 29 15.090 8.442 -1.021 230 HD2 ARG 29 HD2 ARG 29 14.294 10.343 0.375 231 HD3 ARG 29 HD3 ARG 29 13.499 10.216 -1.194 232 HE ARG 29 HE ARG 29 12.196 9.068 1.180 233 HH11 ARG 29 HH11 ARG 29 12.274 11.445 -1.400 234 HH12 ARG 29 HH12 ARG 29 10.633 11.957 -1.153 235 HH21 ARG 29 HH21 ARG 29 10.026 9.740 1.524 236 HH22 ARG 29 HH22 ARG 29 9.358 11.008 0.529 237 H LEU 30 H LEU 30 12.735 4.680 0.349 238 HA LEU 30 HA LEU 30 14.662 4.756 2.372 239 HB2 LEU 30 HB2 LEU 30 12.181 3.968 2.355 240 HB3 LEU 30 HB3 LEU 30 12.843 2.408 1.920 241 HG LEU 30 HG LEU 30 13.508 3.920 4.451 242 HD11 LEU 30 HD11 LEU 30 11.697 1.557 3.984 243 HD12 LEU 30 HD12 LEU 30 11.189 3.193 4.406 244 HD13 LEU 30 HD13 LEU 30 12.124 2.235 5.555 245 HD21 LEU 30 HD21 LEU 30 14.152 1.088 3.625 246 HD22 LEU 30 HD22 LEU 30 14.525 1.830 5.182 247 HD23 LEU 30 HD23 LEU 30 15.307 2.419 3.714 248 H LYS 31 H LYS 31 13.958 2.079 0.099 249 HA LYS 31 HA LYS 31 16.257 0.612 0.924 250 HB2 LYS 31 HB2 LYS 31 15.702 -0.927 -0.910 251 HB3 LYS 31 HB3 LYS 31 14.313 -0.565 0.099 252 HG2 LYS 31 HG2 LYS 31 13.518 1.027 -1.602 253 HG3 LYS 31 HG3 LYS 31 14.894 0.592 -2.619 254 HD2 LYS 31 HD2 LYS 31 14.126 -1.715 -2.703 255 HD3 LYS 31 HD3 LYS 31 12.781 -1.325 -1.634 256 HE2 LYS 31 HE2 LYS 31 11.863 0.179 -3.322 257 HE3 LYS 31 HE3 LYS 31 13.230 -0.166 -4.382 258 HZ1 LYS 31 HZ1 LYS 31 11.233 -1.464 -4.948 259 HZ2 LYS 31 HZ2 LYS 31 11.281 -2.199 -3.422 260 HZ3 LYS 31 HZ3 LYS 31 12.544 -2.453 -4.527 261 H LYS 32 H LYS 32 15.750 3.100 -1.394 262 HA LYS 32 HA LYS 32 18.053 2.578 -2.992 263 HB2 LYS 32 HB2 LYS 32 15.981 4.238 -3.303 264 HB3 LYS 32 HB3 LYS 32 17.096 5.368 -2.548 265 HG2 LYS 32 HG2 LYS 32 17.217 5.531 -4.957 266 HG3 LYS 32 HG3 LYS 32 18.738 4.915 -4.307 267 HD2 LYS 32 HD2 LYS 32 18.170 2.675 -4.936 268 HD3 LYS 32 HD3 LYS 32 16.538 3.162 -5.395 269 HE2 LYS 32 HE2 LYS 32 17.456 4.530 -7.199 270 HE3 LYS 32 HE3 LYS 32 19.090 4.059 -6.730 271 HZ1 LYS 32 HZ1 LYS 32 16.991 2.135 -7.567 272 HZ2 LYS 32 HZ2 LYS 32 18.633 1.810 -7.307 273 HZ3 LYS 32 HZ3 LYS 32 18.158 2.773 -8.621 274 H LEU 33 H LEU 33 17.385 4.478 -0.109 275 HA LEU 33 HA LEU 33 19.918 5.706 0.127 276 HB2 LEU 33 HB2 LEU 33 17.949 6.600 1.212 277 HB3 LEU 33 HB3 LEU 33 17.758 5.137 2.155 278 HG LEU 33 HG LEU 33 19.882 5.661 3.331 279 HD11 LEU 33 HD11 LEU 33 19.702 8.253 1.800 280 HD12 LEU 33 HD12 LEU 33 20.945 7.016 1.616 281 HD13 LEU 33 HD13 LEU 33 20.813 7.915 3.127 282 HD21 LEU 33 HD21 LEU 33 18.967 7.494 4.678 283 HD22 LEU 33 HD22 LEU 33 17.749 6.273 4.313 284 HD23 LEU 33 HD23 LEU 33 17.757 7.798 3.430 285 H VAL 34 H VAL 34 18.516 2.874 1.791 286 HA VAL 34 HA VAL 34 20.999 2.391 3.190 287 HB VAL 34 HB VAL 34 18.828 2.002 4.294 288 HG11 VAL 34 HG11 VAL 34 18.544 -0.279 2.342 289 HG12 VAL 34 HG12 VAL 34 17.546 1.175 2.406 290 HG13 VAL 34 HG13 VAL 34 17.502 0.013 3.733 291 HG21 VAL 34 HG21 VAL 34 20.523 -0.474 4.004 292 HG22 VAL 34 HG22 VAL 34 19.379 -0.161 5.309 293 HG23 VAL 34 HG23 VAL 34 20.805 0.860 5.120 294 H GLY 35 H GLY 35 19.449 1.231 0.310 295 HA2 GLY 35 HA2 GLY 35 20.780 -1.291 0.179 296 HA3 GLY 35 HA3 GLY 35 19.916 -0.501 -1.131 297 H GLU 36 H GLU 36 21.183 1.622 -1.842 298 HA GLU 36 HA GLU 36 24.046 1.098 -1.969 299 HB2 GLU 36 HB2 GLU 36 22.957 -0.152 -3.860 300 HB3 GLU 36 HB3 GLU 36 22.383 1.390 -4.480 301 HG2 GLU 36 HG2 GLU 36 24.385 0.626 -5.641 302 HG3 GLU 36 HG3 GLU 36 24.666 2.144 -4.787 303 H ARG 37 H ARG 37 24.969 2.992 -1.492 304 HA ARG 37 HA ARG 37 23.432 5.433 -2.012 305 HB2 ARG 37 HB2 ARG 37 24.337 4.727 0.334 306 HB3 ARG 37 HB3 ARG 37 25.873 5.332 -0.274 307 HG2 ARG 37 HG2 ARG 37 24.708 7.042 0.993 308 HG3 ARG 37 HG3 ARG 37 24.838 7.509 -0.708 309 HD2 ARG 37 HD2 ARG 37 22.532 6.512 -1.013 310 HD3 ARG 37 HD3 ARG 37 22.434 6.427 0.743 311 HE ARG 37 HE ARG 37 22.439 8.807 0.828 312 HH11 ARG 37 HH11 ARG 37 22.385 7.501 -2.407 313 HH12 ARG 37 HH12 ARG 37 21.681 8.916 -3.122 314 HH21 ARG 37 HH21 ARG 37 21.458 10.666 -0.079 315 HH22 ARG 37 HH22 ARG 37 21.138 10.723 -1.789 316 HA2 GLY 0 HA2 GLY 0 -28.400 -3.381 -5.221 317 HA3 GLY 0 HA3 GLY 0 -28.899 -2.169 -4.049 318 H ALA 1 H ALA 1 -26.553 -3.463 -3.652 319 HA ALA 1 HA ALA 1 -25.348 -4.467 -2.012 320 HB1 ALA 1 HB1 ALA 1 -26.367 -4.845 0.168 321 HB2 ALA 1 HB2 ALA 1 -27.971 -4.622 -0.530 322 HB3 ALA 1 HB3 ALA 1 -26.837 -3.271 -0.477 323 H GLY 2 H GLY 2 -26.517 -5.992 -4.168 324 HA2 GLY 2 HA2 GLY 2 -27.248 -8.554 -3.037 325 HA3 GLY 2 HA3 GLY 2 -27.040 -8.184 -4.743 326 H SER 3 H SER 3 -26.019 -10.416 -4.473 327 HA SER 3 HA SER 3 -23.522 -10.691 -3.184 328 HB2 SER 3 HB2 SER 3 -23.320 -12.686 -4.807 329 HB3 SER 3 HB3 SER 3 -24.666 -12.690 -3.669 330 HG SER 3 HG SER 3 -25.499 -13.190 -5.661 331 H SER 4 H SER 4 -24.454 -9.284 -6.168 332 HA SER 4 HA SER 4 -22.029 -9.398 -7.571 333 HB2 SER 4 HB2 SER 4 -24.146 -7.236 -7.724 334 HB3 SER 4 HB3 SER 4 -22.991 -7.686 -8.980 335 HG SER 4 HG SER 4 -24.035 -9.647 -9.219 336 H SER 5 H SER 5 -23.274 -7.324 -5.059 337 HA SER 5 HA SER 5 -21.208 -5.349 -5.423 338 HB2 SER 5 HB2 SER 5 -23.247 -5.563 -3.195 339 HB3 SER 5 HB3 SER 5 -22.334 -4.132 -3.670 340 HG SER 5 HG SER 5 -23.482 -4.699 -5.848 341 H LEU 6 H LEU 6 -22.165 -7.761 -3.023 342 HA LEU 6 HA LEU 6 -20.469 -7.091 -0.975 343 HB2 LEU 6 HB2 LEU 6 -21.464 -9.821 -1.762 344 HB3 LEU 6 HB3 LEU 6 -20.732 -9.437 -0.214 345 HG LEU 6 HG LEU 6 -23.316 -8.279 -1.273 346 HD11 LEU 6 HD11 LEU 6 -23.552 -10.610 -0.659 347 HD12 LEU 6 HD12 LEU 6 -24.351 -9.581 0.528 348 HD13 LEU 6 HD13 LEU 6 -22.785 -10.301 0.897 349 HD21 LEU 6 HD21 LEU 6 -22.126 -6.686 0.133 350 HD22 LEU 6 HD22 LEU 6 -21.937 -7.913 1.386 351 HD23 LEU 6 HD23 LEU 6 -23.545 -7.318 0.972 352 H GLU 7 H GLU 7 -19.837 -9.955 -3.020 353 HA GLU 7 HA GLU 7 -17.301 -10.312 -1.890 354 HB2 GLU 7 HB2 GLU 7 -18.582 -12.163 -2.861 355 HB3 GLU 7 HB3 GLU 7 -18.413 -11.446 -4.460 356 HG2 GLU 7 HG2 GLU 7 -16.048 -11.813 -4.449 357 HG3 GLU 7 HG3 GLU 7 -16.087 -12.336 -2.765 358 H ALA 8 H ALA 8 -18.288 -8.976 -5.028 359 HA ALA 8 HA ALA 8 -15.882 -8.681 -6.268 360 HB1 ALA 8 HB1 ALA 8 -16.874 -6.802 -7.481 361 HB2 ALA 8 HB2 ALA 8 -18.180 -6.730 -6.297 362 HB3 ALA 8 HB3 ALA 8 -17.998 -8.150 -7.330 363 H VAL 9 H VAL 9 -17.388 -6.254 -4.114 364 HA VAL 9 HA VAL 9 -15.125 -4.525 -4.275 365 HB VAL 9 HB VAL 9 -17.438 -4.465 -2.323 366 HG11 VAL 9 HG11 VAL 9 -15.421 -2.347 -3.066 367 HG12 VAL 9 HG12 VAL 9 -15.546 -3.178 -1.515 368 HG13 VAL 9 HG13 VAL 9 -16.833 -2.093 -2.042 369 HG21 VAL 9 HG21 VAL 9 -18.195 -4.318 -4.641 370 HG22 VAL 9 HG22 VAL 9 -17.066 -2.995 -4.932 371 HG23 VAL 9 HG23 VAL 9 -18.407 -2.781 -3.806 372 H ARG 10 H ARG 10 -16.418 -6.772 -1.864 373 HA ARG 10 HA ARG 10 -14.746 -6.078 0.241 374 HB2 ARG 10 HB2 ARG 10 -16.810 -7.453 0.438 375 HB3 ARG 10 HB3 ARG 10 -15.959 -8.793 -0.316 376 HG2 ARG 10 HG2 ARG 10 -14.848 -7.548 2.158 377 HG3 ARG 10 HG3 ARG 10 -16.196 -8.677 2.272 378 HD2 ARG 10 HD2 ARG 10 -14.923 -10.411 1.238 379 HD3 ARG 10 HD3 ARG 10 -13.626 -9.290 0.835 380 HE ARG 10 HE ARG 10 -13.592 -9.084 3.467 381 HH11 ARG 10 HH11 ARG 10 -14.071 -11.961 1.541 382 HH12 ARG 10 HH12 ARG 10 -13.146 -12.994 2.596 383 HH21 ARG 10 HH21 ARG 10 -12.401 -10.453 4.904 384 HH22 ARG 10 HH22 ARG 10 -12.214 -12.140 4.521 385 H ARG 11 H ARG 11 -14.330 -8.602 -2.243 386 HA ARG 11 HA ARG 11 -12.008 -9.750 -1.273 387 HB2 ARG 11 HB2 ARG 11 -13.110 -10.825 -3.076 388 HB3 ARG 11 HB3 ARG 11 -13.045 -9.384 -4.077 389 HG2 ARG 11 HG2 ARG 11 -11.477 -11.027 -4.882 390 HG3 ARG 11 HG3 ARG 11 -10.610 -9.628 -4.253 391 HD2 ARG 11 HD2 ARG 11 -10.389 -10.937 -2.081 392 HD3 ARG 11 HD3 ARG 11 -10.928 -12.345 -2.999 393 HE ARG 11 HE ARG 11 -8.772 -11.024 -4.301 394 HH11 ARG 11 HH11 ARG 11 -9.483 -13.191 -1.640 395 HH12 ARG 11 HH12 ARG 11 -7.903 -13.917 -1.654 396 HH21 ARG 11 HH21 ARG 11 -6.692 -11.954 -4.302 397 HH22 ARG 11 HH22 ARG 11 -6.305 -13.204 -3.152 398 H LYS 12 H LYS 12 -12.384 -6.953 -3.421 399 HA LYS 12 HA LYS 12 -9.648 -6.606 -3.931 400 HB2 LYS 12 HB2 LYS 12 -11.889 -4.580 -4.025 401 HB3 LYS 12 HB3 LYS 12 -10.280 -4.340 -4.693 402 HG2 LYS 12 HG2 LYS 12 -10.679 -6.294 -6.180 403 HG3 LYS 12 HG3 LYS 12 -12.341 -6.344 -5.588 404 HD2 LYS 12 HD2 LYS 12 -12.283 -5.141 -7.673 405 HD3 LYS 12 HD3 LYS 12 -12.640 -4.009 -6.366 406 HE2 LYS 12 HE2 LYS 12 -10.264 -3.353 -6.321 407 HE3 LYS 12 HE3 LYS 12 -9.954 -4.442 -7.673 408 HZ1 LYS 12 HZ1 LYS 12 -11.758 -2.083 -7.712 409 HZ2 LYS 12 HZ2 LYS 12 -11.501 -3.140 -9.012 410 HZ3 LYS 12 HZ3 LYS 12 -10.228 -2.182 -8.433 411 H ILE 13 H ILE 13 -11.805 -4.855 -1.676 412 HA ILE 13 HA ILE 13 -9.740 -3.218 -0.703 413 HB ILE 13 HB ILE 13 -11.298 -2.630 1.135 414 HG12 ILE 13 HG12 ILE 13 -13.746 -3.511 0.567 415 HG13 ILE 13 HG13 ILE 13 -12.852 -4.907 -0.021 416 HG21 ILE 13 HG21 ILE 13 -12.454 -2.576 -1.646 417 HG22 ILE 13 HG22 ILE 13 -11.323 -1.414 -0.956 418 HG23 ILE 13 HG23 ILE 13 -12.957 -1.544 -0.308 419 HD11 ILE 13 HD11 ILE 13 -11.829 -5.170 2.182 420 HD12 ILE 13 HD12 ILE 13 -13.590 -5.238 2.260 421 HD13 ILE 13 HD13 ILE 13 -12.741 -3.778 2.766 422 H ARG 14 H ARG 14 -10.837 -6.394 0.166 423 HA ARG 14 HA ARG 14 -9.608 -6.615 2.684 424 HB2 ARG 14 HB2 ARG 14 -11.262 -8.218 1.510 425 HB3 ARG 14 HB3 ARG 14 -9.860 -8.858 0.676 426 HG2 ARG 14 HG2 ARG 14 -10.180 -8.816 3.670 427 HG3 ARG 14 HG3 ARG 14 -10.577 -10.190 2.641 428 HD2 ARG 14 HD2 ARG 14 -7.870 -8.963 3.126 429 HD3 ARG 14 HD3 ARG 14 -8.416 -10.581 3.563 430 HE ARG 14 HE ARG 14 -8.022 -9.691 0.771 431 HH11 ARG 14 HH11 ARG 14 -7.901 -12.170 3.245 432 HH12 ARG 14 HH12 ARG 14 -7.106 -13.324 2.221 433 HH21 ARG 14 HH21 ARG 14 -6.994 -11.218 -0.579 434 HH22 ARG 14 HH22 ARG 14 -6.609 -12.796 0.047 435 H SER 15 H SER 15 -8.503 -7.515 -0.575 436 HA SER 15 HA SER 15 -5.973 -8.412 0.249 437 HB2 SER 15 HB2 SER 15 -6.856 -7.452 -2.479 438 HB3 SER 15 HB3 SER 15 -5.450 -8.462 -2.132 439 HG SER 15 HG SER 15 -7.835 -9.306 -2.680 440 H LEU 16 H LEU 16 -7.153 -5.290 -0.931 441 HA LEU 16 HA LEU 16 -4.732 -4.004 -1.325 442 HB2 LEU 16 HB2 LEU 16 -7.330 -2.872 -0.279 443 HB3 LEU 16 HB3 LEU 16 -5.979 -1.904 -0.837 444 HG LEU 16 HG LEU 16 -7.591 -3.810 -2.539 445 HD11 LEU 16 HD11 LEU 16 -7.513 -0.797 -2.485 446 HD12 LEU 16 HD12 LEU 16 -8.841 -1.809 -1.919 447 HD13 LEU 16 HD13 LEU 16 -8.416 -1.790 -3.630 448 HD21 LEU 16 HD21 LEU 16 -5.266 -3.676 -3.258 449 HD22 LEU 16 HD22 LEU 16 -5.366 -1.916 -3.280 450 HD23 LEU 16 HD23 LEU 16 -6.331 -2.867 -4.409 451 H GLN 17 H GLN 17 -6.675 -4.266 1.631 452 HA GLN 17 HA GLN 17 -4.995 -2.781 3.300 453 HB2 GLN 17 HB2 GLN 17 -6.864 -5.063 3.967 454 HB3 GLN 17 HB3 GLN 17 -6.107 -4.015 5.158 455 HG2 GLN 17 HG2 GLN 17 -7.286 -2.102 4.271 456 HG3 GLN 17 HG3 GLN 17 -7.986 -3.098 2.995 457 HE21 GLN 17 HE21 GLN 17 -9.616 -4.540 3.495 458 HE22 GLN 17 HE22 GLN 17 -10.483 -4.493 4.996 459 H GLU 18 H GLU 18 -5.198 -6.276 2.735 460 HA GLU 18 HA GLU 18 -3.240 -7.087 4.525 461 HB2 GLU 18 HB2 GLU 18 -4.883 -8.571 3.418 462 HB3 GLU 18 HB3 GLU 18 -4.033 -8.361 1.896 463 HG2 GLU 18 HG2 GLU 18 -2.446 -9.361 4.177 464 HG3 GLU 18 HG3 GLU 18 -3.662 -10.447 3.510 465 H GLN 19 H GLN 19 -2.973 -6.343 1.068 466 HA GLN 19 HA GLN 19 -0.291 -6.905 0.685 467 HB2 GLN 19 HB2 GLN 19 -1.781 -6.455 -1.169 468 HB3 GLN 19 HB3 GLN 19 -2.049 -4.813 -0.609 469 HG2 GLN 19 HG2 GLN 19 -0.563 -4.748 -2.470 470 HG3 GLN 19 HG3 GLN 19 0.346 -4.330 -1.019 471 HE21 GLN 19 HE21 GLN 19 1.894 -5.760 -0.243 472 HE22 GLN 19 HE22 GLN 19 2.498 -7.071 -1.189 473 H ASN 20 H ASN 20 -1.753 -3.739 1.426 474 HA ASN 20 HA ASN 20 0.775 -2.462 1.511 475 HB2 ASN 20 HB2 ASN 20 -2.002 -1.557 2.255 476 HB3 ASN 20 HB3 ASN 20 -0.586 -0.520 2.427 477 HD21 ASN 20 HD21 ASN 20 -2.695 -2.142 0.194 478 HD22 ASN 20 HD22 ASN 20 -2.156 -1.317 -1.231 479 H TYR 21 H TYR 21 -1.230 -4.039 3.853 480 HA TYR 21 HA TYR 21 -0.185 -2.940 6.196 481 HB2 TYR 21 HB2 TYR 21 -2.152 -4.418 6.153 482 HB3 TYR 21 HB3 TYR 21 -1.131 -5.766 5.667 483 HD1 TYR 21 HD1 TYR 21 -1.672 -3.332 8.425 484 HD2 TYR 21 HD2 TYR 21 -0.131 -7.126 7.279 485 HE1 TYR 21 HE1 TYR 21 -1.293 -3.885 10.788 486 HE2 TYR 21 HE2 TYR 21 0.248 -7.690 9.640 487 HH TYR 21 HH TYR 21 -1.066 -5.846 12.200 488 H HIS 22 H HIS 22 0.814 -5.800 4.339 489 HA HIS 22 HA HIS 22 3.058 -6.419 5.904 490 HB2 HIS 22 HB2 HIS 22 2.268 -7.075 3.078 491 HB3 HIS 22 HB3 HIS 22 3.832 -7.568 3.719 492 HD1 HIS 22 HD1 HIS 22 0.386 -8.678 3.466 493 HD2 HIS 22 HD2 HIS 22 3.533 -9.241 6.136 494 HE1 HIS 22 HE1 HIS 22 -0.226 -10.700 4.832 495 HE2 HIS 22 HE2 HIS 22 1.681 -11.021 6.450 496 H LEU 23 H LEU 23 2.629 -4.373 3.068 497 HA LEU 23 HA LEU 23 5.308 -3.774 2.584 498 HB2 LEU 23 HB2 LEU 23 2.862 -2.059 2.145 499 HB3 LEU 23 HB3 LEU 23 4.443 -1.746 1.456 500 HG LEU 23 HG LEU 23 2.713 -4.147 0.867 501 HD11 LEU 23 HD11 LEU 23 2.480 -3.154 -1.348 502 HD12 LEU 23 HD12 LEU 23 3.406 -1.749 -0.819 503 HD13 LEU 23 HD13 LEU 23 1.834 -2.094 -0.096 504 HD21 LEU 23 HD21 LEU 23 4.367 -4.656 -0.854 505 HD22 LEU 23 HD22 LEU 23 5.084 -4.689 0.757 506 HD23 LEU 23 HD23 LEU 23 5.360 -3.307 -0.303 507 H GLU 24 H GLU 24 2.895 -2.066 4.571 508 HA GLU 24 HA GLU 24 4.542 0.012 5.430 509 HB2 GLU 24 HB2 GLU 24 2.090 -0.020 5.699 510 HB3 GLU 24 HB3 GLU 24 2.248 -1.291 6.902 511 HG2 GLU 24 HG2 GLU 24 3.546 0.248 8.319 512 HG3 GLU 24 HG3 GLU 24 3.296 1.522 7.126 513 H ASN 25 H ASN 25 3.912 -3.179 6.819 514 HA ASN 25 HA ASN 25 5.388 -2.861 9.171 515 HB2 ASN 25 HB2 ASN 25 4.609 -5.272 7.550 516 HB3 ASN 25 HB3 ASN 25 5.610 -5.432 8.988 517 HD21 ASN 25 HD21 ASN 25 3.137 -2.993 8.733 518 HD22 ASN 25 HD22 ASN 25 2.051 -3.690 9.880 519 H GLU 26 H GLU 26 6.316 -3.987 5.952 520 HA GLU 26 HA GLU 26 8.984 -4.617 6.494 521 HB2 GLU 26 HB2 GLU 26 7.853 -5.241 4.405 522 HB3 GLU 26 HB3 GLU 26 7.736 -3.548 3.951 523 HG2 GLU 26 HG2 GLU 26 10.191 -3.422 3.892 524 HG3 GLU 26 HG3 GLU 26 10.267 -5.143 4.268 525 H VAL 27 H VAL 27 7.521 -1.625 5.267 526 HA VAL 27 HA VAL 27 9.788 -0.082 5.009 527 HB VAL 27 HB VAL 27 7.014 0.818 5.815 528 HG11 VAL 27 HG11 VAL 27 8.668 2.532 6.338 529 HG12 VAL 27 HG12 VAL 27 7.672 3.022 4.968 530 HG13 VAL 27 HG13 VAL 27 9.310 2.428 4.699 531 HG21 VAL 27 HG21 VAL 27 6.718 1.318 3.452 532 HG22 VAL 27 HG22 VAL 27 7.088 -0.390 3.691 533 HG23 VAL 27 HG23 VAL 27 8.337 0.713 3.108 534 H ALA 28 H ALA 28 7.722 -0.538 7.855 535 HA ALA 28 HA ALA 28 8.759 1.363 9.541 536 HB1 ALA 28 HB1 ALA 28 6.790 -0.006 10.043 537 HB2 ALA 28 HB2 ALA 28 7.941 0.013 11.378 538 HB3 ALA 28 HB3 ALA 28 7.840 -1.397 10.324 539 H ARG 29 H ARG 29 9.819 -2.050 9.392 540 HA ARG 29 HA ARG 29 11.942 -1.632 11.196 541 HB2 ARG 29 HB2 ARG 29 11.106 -3.847 9.390 542 HB3 ARG 29 HB3 ARG 29 12.754 -3.858 10.009 543 HG2 ARG 29 HG2 ARG 29 10.249 -3.755 11.681 544 HG3 ARG 29 HG3 ARG 29 11.275 -5.171 11.423 545 HD2 ARG 29 HD2 ARG 29 13.160 -3.971 12.435 546 HD3 ARG 29 HD3 ARG 29 12.119 -2.581 12.716 547 HE ARG 29 HE ARG 29 10.776 -4.448 14.036 548 HH11 ARG 29 HH11 ARG 29 14.205 -3.754 13.956 549 HH12 ARG 29 HH12 ARG 29 14.499 -4.318 15.573 550 HH21 ARG 29 HH21 ARG 29 11.143 -5.185 16.181 551 HH22 ARG 29 HH22 ARG 29 12.753 -5.149 16.839 552 H LEU 30 H LEU 30 11.720 -1.566 7.687 553 HA LEU 30 HA LEU 30 14.465 -1.529 7.149 554 HB2 LEU 30 HB2 LEU 30 11.994 -0.878 5.674 555 HB3 LEU 30 HB3 LEU 30 13.449 -0.097 5.086 556 HG LEU 30 HG LEU 30 14.516 -2.282 4.784 557 HD11 LEU 30 HD11 LEU 30 13.361 -3.493 6.572 558 HD12 LEU 30 HD12 LEU 30 13.269 -4.342 5.029 559 HD13 LEU 30 HD13 LEU 30 11.870 -3.449 5.629 560 HD21 LEU 30 HD21 LEU 30 13.294 -1.306 2.927 561 HD22 LEU 30 HD22 LEU 30 11.804 -2.068 3.487 562 HD23 LEU 30 HD23 LEU 30 13.146 -3.061 2.915 563 H LYS 31 H LYS 31 12.166 1.183 7.585 564 HA LYS 31 HA LYS 31 14.136 3.146 7.085 565 HB2 LYS 31 HB2 LYS 31 12.504 4.766 7.967 566 HB3 LYS 31 HB3 LYS 31 11.805 3.701 6.761 567 HG2 LYS 31 HG2 LYS 31 10.133 3.722 8.292 568 HG3 LYS 31 HG3 LYS 31 11.053 2.340 8.882 569 HD2 LYS 31 HD2 LYS 31 12.169 3.796 10.514 570 HD3 LYS 31 HD3 LYS 31 11.225 5.166 9.926 571 HE2 LYS 31 HE2 LYS 31 9.161 3.978 10.552 572 HE3 LYS 31 HE3 LYS 31 10.136 2.662 11.201 573 HZ1 LYS 31 HZ1 LYS 31 10.196 5.474 12.152 574 HZ2 LYS 31 HZ2 LYS 31 11.084 4.186 12.807 575 HZ3 LYS 31 HZ3 LYS 31 9.390 4.197 12.923 576 H LYS 32 H LYS 32 13.096 1.440 9.945 577 HA LYS 32 HA LYS 32 14.489 3.108 11.786 578 HB2 LYS 32 HB2 LYS 32 12.725 1.654 12.588 579 HB3 LYS 32 HB3 LYS 32 13.580 0.230 12.007 580 HG2 LYS 32 HG2 LYS 32 15.354 0.614 13.621 581 HG3 LYS 32 HG3 LYS 32 14.544 2.078 14.184 582 HD2 LYS 32 HD2 LYS 32 12.652 0.771 14.947 583 HD3 LYS 32 HD3 LYS 32 13.380 -0.702 14.301 584 HE2 LYS 32 HE2 LYS 32 13.689 -0.486 16.737 585 HE3 LYS 32 HE3 LYS 32 15.217 -0.524 15.859 586 HZ1 LYS 32 HZ1 LYS 32 15.415 1.839 16.096 587 HZ2 LYS 32 HZ2 LYS 32 15.142 1.170 17.626 588 HZ3 LYS 32 HZ3 LYS 32 13.882 1.956 16.809 589 H LEU 33 H LEU 33 15.322 0.258 9.909 590 HA LEU 33 HA LEU 33 17.774 -0.334 11.169 591 HB2 LEU 33 HB2 LEU 33 16.547 -1.898 9.715 592 HB3 LEU 33 HB3 LEU 33 16.901 -0.884 8.329 593 HG LEU 33 HG LEU 33 19.330 -1.319 8.699 594 HD11 LEU 33 HD11 LEU 33 19.966 -3.192 10.141 595 HD12 LEU 33 HD12 LEU 33 18.303 -3.317 10.712 596 HD13 LEU 33 HD13 LEU 33 19.251 -1.873 11.066 597 HD21 LEU 33 HD21 LEU 33 18.067 -2.570 7.049 598 HD22 LEU 33 HD22 LEU 33 17.575 -3.733 8.280 599 HD23 LEU 33 HD23 LEU 33 19.272 -3.603 7.816 600 H VAL 34 H VAL 34 16.993 1.675 8.349 601 HA VAL 34 HA VAL 34 19.753 2.299 7.852 602 HB VAL 34 HB VAL 34 18.132 2.261 6.011 603 HG11 VAL 34 HG11 VAL 34 16.950 4.719 7.295 604 HG12 VAL 34 HG12 VAL 34 16.178 3.139 7.169 605 HG13 VAL 34 HG13 VAL 34 16.519 4.073 5.711 606 HG21 VAL 34 HG21 VAL 34 19.382 4.966 6.460 607 HG22 VAL 34 HG22 VAL 34 18.827 4.335 4.910 608 HG23 VAL 34 HG23 VAL 34 20.166 3.554 5.752 609 H GLY 35 H GLY 35 17.143 3.753 9.667 610 HA2 GLY 35 HA2 GLY 35 18.435 6.287 10.042 611 HA3 GLY 35 HA3 GLY 35 17.059 5.673 10.950 612 H GLU 36 H GLU 36 17.882 3.510 12.181 613 HA GLU 36 HA GLU 36 19.834 4.486 14.085 614 HB2 GLU 36 HB2 GLU 36 17.752 3.366 14.829 615 HB3 GLU 36 HB3 GLU 36 18.259 1.901 14.005 616 HG2 GLU 36 HG2 GLU 36 20.129 1.656 15.510 617 HG3 GLU 36 HG3 GLU 36 19.730 3.187 16.293 618 H ARG 37 H ARG 37 21.633 4.497 12.691 619 HA ARG 37 HA ARG 37 22.514 1.948 11.566 620 HB2 ARG 37 HB2 ARG 37 22.394 4.178 10.276 621 HB3 ARG 37 HB3 ARG 37 23.825 4.636 11.187 622 HG2 ARG 37 HG2 ARG 37 25.009 2.685 10.255 623 HG3 ARG 37 HG3 ARG 37 23.575 2.306 9.295 624 HD2 ARG 37 HD2 ARG 37 23.732 4.602 8.316 625 HD3 ARG 37 HD3 ARG 37 25.280 4.785 9.138 626 HE ARG 37 HE ARG 37 24.728 2.784 7.035 627 HH11 ARG 37 HH11 ARG 37 26.925 4.870 8.782 628 HH12 ARG 37 HH12 ARG 37 28.229 4.672 7.648 629 HH21 ARG 37 HH21 ARG 37 26.450 2.516 5.526 630 HH22 ARG 37 HH22 ARG 37 27.965 3.325 5.808 Start of MODEL 2 1 HA2 GLY 0 HA2 GLY 0 -30.732 10.015 5.513 2 HA3 GLY 0 HA3 GLY 0 -30.989 9.321 7.109 3 H ALA 1 H ALA 1 -29.577 8.866 4.150 4 HA ALA 1 HA ALA 1 -29.635 5.930 4.364 5 HB1 ALA 1 HB1 ALA 1 -28.873 5.912 2.036 6 HB2 ALA 1 HB2 ALA 1 -28.832 7.675 2.032 7 HB3 ALA 1 HB3 ALA 1 -30.369 6.829 2.210 8 H GLY 2 H GLY 2 -27.382 5.163 3.158 9 HA2 GLY 2 HA2 GLY 2 -25.314 5.890 5.026 10 HA3 GLY 2 HA3 GLY 2 -25.175 4.730 3.712 11 H SER 3 H SER 3 -25.782 8.219 4.002 12 HA SER 3 HA SER 3 -24.288 8.748 1.590 13 HB2 SER 3 HB2 SER 3 -26.356 10.009 2.236 14 HB3 SER 3 HB3 SER 3 -25.459 10.710 3.581 15 HG SER 3 HG SER 3 -25.445 11.358 0.926 16 H SER 4 H SER 4 -23.992 9.531 5.041 17 HA SER 4 HA SER 4 -21.443 10.725 4.885 18 HB2 SER 4 HB2 SER 4 -23.025 10.917 6.827 19 HB3 SER 4 HB3 SER 4 -22.638 9.248 7.247 20 HG SER 4 HG SER 4 -20.792 11.409 7.085 21 H SER 5 H SER 5 -22.526 7.405 5.357 22 HA SER 5 HA SER 5 -20.063 6.185 5.854 23 HB2 SER 5 HB2 SER 5 -22.365 5.015 4.276 24 HB3 SER 5 HB3 SER 5 -21.123 4.124 5.155 25 HG SER 5 HG SER 5 -22.974 4.219 6.406 26 H LEU 6 H LEU 6 -21.739 6.808 2.784 27 HA LEU 6 HA LEU 6 -19.860 5.628 1.077 28 HB2 LEU 6 HB2 LEU 6 -22.118 6.265 0.377 29 HB3 LEU 6 HB3 LEU 6 -21.708 7.959 0.563 30 HG LEU 6 HG LEU 6 -20.037 7.736 -1.242 31 HD11 LEU 6 HD11 LEU 6 -21.155 4.945 -1.497 32 HD12 LEU 6 HD12 LEU 6 -19.514 5.379 -1.014 33 HD13 LEU 6 HD13 LEU 6 -20.073 5.728 -2.650 34 HD21 LEU 6 HD21 LEU 6 -22.259 8.534 -1.764 35 HD22 LEU 6 HD22 LEU 6 -22.839 6.879 -1.942 36 HD23 LEU 6 HD23 LEU 6 -21.657 7.527 -3.078 37 H GLU 7 H GLU 7 -20.176 8.969 2.199 38 HA GLU 7 HA GLU 7 -18.040 10.082 0.782 39 HB2 GLU 7 HB2 GLU 7 -19.911 11.163 2.254 40 HB3 GLU 7 HB3 GLU 7 -18.762 10.958 3.565 41 HG2 GLU 7 HG2 GLU 7 -18.158 12.458 1.032 42 HG3 GLU 7 HG3 GLU 7 -18.782 13.212 2.496 43 H ALA 8 H ALA 8 -18.155 8.664 4.029 44 HA ALA 8 HA ALA 8 -15.466 9.068 4.711 45 HB1 ALA 8 HB1 ALA 8 -17.380 6.940 5.657 46 HB2 ALA 8 HB2 ALA 8 -17.129 8.530 6.379 47 HB3 ALA 8 HB3 ALA 8 -15.838 7.330 6.418 48 H VAL 9 H VAL 9 -17.062 6.198 3.313 49 HA VAL 9 HA VAL 9 -14.739 4.600 3.225 50 HB VAL 9 HB VAL 9 -17.233 4.444 1.519 51 HG11 VAL 9 HG11 VAL 9 -16.572 2.133 1.057 52 HG12 VAL 9 HG12 VAL 9 -15.063 2.388 1.933 53 HG13 VAL 9 HG13 VAL 9 -15.378 3.278 0.442 54 HG21 VAL 9 HG21 VAL 9 -17.894 2.665 3.055 55 HG22 VAL 9 HG22 VAL 9 -17.662 4.191 3.905 56 HG23 VAL 9 HG23 VAL 9 -16.431 2.933 4.001 57 H ARG 10 H ARG 10 -16.205 6.757 0.830 58 HA ARG 10 HA ARG 10 -14.468 6.225 -1.300 59 HB2 ARG 10 HB2 ARG 10 -16.554 7.488 -1.539 60 HB3 ARG 10 HB3 ARG 10 -15.895 8.794 -0.573 61 HG2 ARG 10 HG2 ARG 10 -14.525 7.976 -3.097 62 HG3 ARG 10 HG3 ARG 10 -15.968 8.987 -3.159 63 HD2 ARG 10 HD2 ARG 10 -13.345 9.590 -1.805 64 HD3 ARG 10 HD3 ARG 10 -14.078 10.436 -3.168 65 HE ARG 10 HE ARG 10 -14.717 10.742 -0.362 66 HH11 ARG 10 HH11 ARG 10 -15.742 11.302 -3.662 67 HH12 ARG 10 HH12 ARG 10 -16.830 12.585 -3.239 68 HH21 ARG 10 HH21 ARG 10 -16.143 12.436 0.201 69 HH22 ARG 10 HH22 ARG 10 -17.088 13.208 -1.049 70 H ARG 11 H ARG 11 -14.254 8.626 1.307 71 HA ARG 11 HA ARG 11 -11.785 9.733 0.470 72 HB2 ARG 11 HB2 ARG 11 -13.336 10.856 2.043 73 HB3 ARG 11 HB3 ARG 11 -12.969 9.633 3.254 74 HG2 ARG 11 HG2 ARG 11 -10.580 10.350 3.148 75 HG3 ARG 11 HG3 ARG 11 -11.086 11.676 2.097 76 HD2 ARG 11 HD2 ARG 11 -10.928 12.470 4.367 77 HD3 ARG 11 HD3 ARG 11 -12.622 12.447 3.874 78 HE ARG 11 HE ARG 11 -11.479 10.225 5.442 79 HH11 ARG 11 HH11 ARG 11 -13.847 12.777 5.022 80 HH12 ARG 11 HH12 ARG 11 -14.726 12.368 6.464 81 HH21 ARG 11 HH21 ARG 11 -12.655 9.656 7.300 82 HH22 ARG 11 HH22 ARG 11 -14.055 10.572 7.754 83 H LYS 12 H LYS 12 -12.667 7.057 2.556 84 HA LYS 12 HA LYS 12 -10.141 6.583 3.686 85 HB2 LYS 12 HB2 LYS 12 -12.246 5.649 4.573 86 HB3 LYS 12 HB3 LYS 12 -12.363 4.600 3.165 87 HG2 LYS 12 HG2 LYS 12 -11.501 3.401 5.098 88 HG3 LYS 12 HG3 LYS 12 -10.301 3.481 3.809 89 HD2 LYS 12 HD2 LYS 12 -9.254 5.408 4.968 90 HD3 LYS 12 HD3 LYS 12 -10.396 5.188 6.296 91 HE2 LYS 12 HE2 LYS 12 -9.524 2.966 6.711 92 HE3 LYS 12 HE3 LYS 12 -8.439 3.110 5.326 93 HZ1 LYS 12 HZ1 LYS 12 -8.354 4.715 7.823 94 HZ2 LYS 12 HZ2 LYS 12 -7.379 5.004 6.462 95 HZ3 LYS 12 HZ3 LYS 12 -7.227 3.550 7.319 96 H ILE 13 H ILE 13 -11.725 5.000 0.883 97 HA ILE 13 HA ILE 13 -9.475 3.379 0.313 98 HB ILE 13 HB ILE 13 -10.508 2.973 -1.902 99 HG12 ILE 13 HG12 ILE 13 -13.011 3.903 -1.921 100 HG13 ILE 13 HG13 ILE 13 -12.262 5.228 -1.038 101 HG21 ILE 13 HG21 ILE 13 -12.363 2.755 0.460 102 HG22 ILE 13 HG22 ILE 13 -11.100 1.611 0.004 103 HG23 ILE 13 HG23 ILE 13 -12.500 1.840 -1.042 104 HD11 ILE 13 HD11 ILE 13 -12.389 5.698 -3.419 105 HD12 ILE 13 HD12 ILE 13 -11.454 4.244 -3.766 106 HD13 ILE 13 HD13 ILE 13 -10.711 5.581 -2.890 107 H ARG 14 H ARG 14 -10.394 6.604 -0.688 108 HA ARG 14 HA ARG 14 -8.390 7.042 -2.613 109 HB2 ARG 14 HB2 ARG 14 -10.194 8.632 -2.293 110 HB3 ARG 14 HB3 ARG 14 -9.678 8.936 -0.640 111 HG2 ARG 14 HG2 ARG 14 -7.455 9.699 -1.740 112 HG3 ARG 14 HG3 ARG 14 -8.434 9.827 -3.205 113 HD2 ARG 14 HD2 ARG 14 -9.972 11.327 -2.068 114 HD3 ARG 14 HD3 ARG 14 -9.047 11.172 -0.575 115 HE ARG 14 HE ARG 14 -8.398 12.784 -2.886 116 HH11 ARG 14 HH11 ARG 14 -7.150 11.250 0.015 117 HH12 ARG 14 HH12 ARG 14 -5.777 12.303 0.136 118 HH21 ARG 14 HH21 ARG 14 -6.617 14.201 -2.685 119 HH22 ARG 14 HH22 ARG 14 -5.500 14.004 -1.367 120 H SER 15 H SER 15 -8.457 7.645 0.874 121 HA SER 15 HA SER 15 -5.848 8.618 1.141 122 HB2 SER 15 HB2 SER 15 -7.629 8.849 2.852 123 HB3 SER 15 HB3 SER 15 -7.510 7.124 3.189 124 HG SER 15 HG SER 15 -5.355 8.966 3.437 125 H LEU 16 H LEU 16 -7.138 5.324 1.305 126 HA LEU 16 HA LEU 16 -4.838 3.999 2.155 127 HB2 LEU 16 HB2 LEU 16 -7.033 3.061 0.308 128 HB3 LEU 16 HB3 LEU 16 -5.796 2.008 0.969 129 HG LEU 16 HG LEU 16 -7.830 3.541 2.592 130 HD11 LEU 16 HD11 LEU 16 -8.820 1.353 3.022 131 HD12 LEU 16 HD12 LEU 16 -7.651 0.603 1.937 132 HD13 LEU 16 HD13 LEU 16 -8.843 1.737 1.301 133 HD21 LEU 16 HD21 LEU 16 -7.002 2.209 4.468 134 HD22 LEU 16 HD22 LEU 16 -5.729 3.221 3.787 135 HD23 LEU 16 HD23 LEU 16 -5.774 1.496 3.424 136 H GLN 17 H GLN 17 -5.973 4.441 -1.214 137 HA GLN 17 HA GLN 17 -3.655 3.276 -2.340 138 HB2 GLN 17 HB2 GLN 17 -5.607 5.200 -3.616 139 HB3 GLN 17 HB3 GLN 17 -4.432 4.212 -4.476 140 HG2 GLN 17 HG2 GLN 17 -5.560 2.196 -3.525 141 HG3 GLN 17 HG3 GLN 17 -6.811 3.266 -2.899 142 HE21 GLN 17 HE21 GLN 17 -8.431 2.359 -4.125 143 HE22 GLN 17 HE22 GLN 17 -8.545 2.576 -5.835 144 H GLU 18 H GLU 18 -4.503 6.607 -1.562 145 HA GLU 18 HA GLU 18 -2.287 7.830 -2.812 146 HB2 GLU 18 HB2 GLU 18 -4.257 9.089 -2.098 147 HB3 GLU 18 HB3 GLU 18 -3.897 8.724 -0.418 148 HG2 GLU 18 HG2 GLU 18 -1.881 10.035 -0.514 149 HG3 GLU 18 HG3 GLU 18 -2.110 10.317 -2.239 150 H GLN 19 H GLN 19 -2.792 6.669 0.505 151 HA GLN 19 HA GLN 19 -0.243 7.399 1.474 152 HB2 GLN 19 HB2 GLN 19 -2.148 6.842 2.945 153 HB3 GLN 19 HB3 GLN 19 -2.061 5.167 2.414 154 HG2 GLN 19 HG2 GLN 19 -1.032 5.463 4.593 155 HG3 GLN 19 HG3 GLN 19 0.153 4.955 3.393 156 HE21 GLN 19 HE21 GLN 19 1.742 6.393 2.731 157 HE22 GLN 19 HE22 GLN 19 2.104 7.843 3.612 158 H ASN 20 H ASN 20 -1.474 4.468 -0.079 159 HA ASN 20 HA ASN 20 0.861 2.910 0.268 160 HB2 ASN 20 HB2 ASN 20 -1.434 2.764 -1.676 161 HB3 ASN 20 HB3 ASN 20 -0.066 1.666 -1.805 162 HD21 ASN 20 HD21 ASN 20 -1.180 2.839 1.269 163 HD22 ASN 20 HD22 ASN 20 -1.860 1.352 1.823 164 H TYR 21 H TYR 21 -0.182 5.078 -2.320 165 HA TYR 21 HA TYR 21 1.969 4.709 -4.077 166 HB2 TYR 21 HB2 TYR 21 -0.154 5.986 -4.530 167 HB3 TYR 21 HB3 TYR 21 0.484 7.295 -3.547 168 HD1 TYR 21 HD1 TYR 21 2.339 8.676 -4.374 169 HD2 TYR 21 HD2 TYR 21 0.664 5.568 -6.743 170 HE1 TYR 21 HE1 TYR 21 3.412 9.626 -6.371 171 HE2 TYR 21 HE2 TYR 21 1.734 6.509 -8.744 172 HH TYR 21 HH TYR 21 2.554 8.788 -9.483 173 H HIS 22 H HIS 22 1.535 6.912 -1.348 174 HA HIS 22 HA HIS 22 4.039 8.214 -1.560 175 HB2 HIS 22 HB2 HIS 22 1.843 8.722 -0.121 176 HB3 HIS 22 HB3 HIS 22 2.772 7.879 1.116 177 HD1 HIS 22 HD1 HIS 22 5.327 8.966 1.452 178 HD2 HIS 22 HD2 HIS 22 2.378 11.357 -0.264 179 HE1 HIS 22 HE1 HIS 22 6.139 11.327 1.690 180 HE2 HIS 22 HE2 HIS 22 4.276 12.763 0.806 181 H LEU 23 H LEU 23 2.951 5.297 0.080 182 HA LEU 23 HA LEU 23 5.373 4.794 1.472 183 HB2 LEU 23 HB2 LEU 23 3.149 2.947 0.608 184 HB3 LEU 23 HB3 LEU 23 4.504 2.436 1.596 185 HG LEU 23 HG LEU 23 2.476 4.534 2.373 186 HD11 LEU 23 HD11 LEU 23 1.723 2.858 4.004 187 HD12 LEU 23 HD12 LEU 23 2.830 1.685 3.292 188 HD13 LEU 23 HD13 LEU 23 1.490 2.321 2.340 189 HD21 LEU 23 HD21 LEU 23 4.716 3.284 3.957 190 HD22 LEU 23 HD22 LEU 23 3.527 4.434 4.570 191 HD23 LEU 23 HD23 LEU 23 4.687 4.936 3.340 192 H GLU 24 H GLU 24 4.177 3.966 -1.733 193 HA GLU 24 HA GLU 24 6.135 2.171 -2.541 194 HB2 GLU 24 HB2 GLU 24 4.669 4.289 -4.105 195 HB3 GLU 24 HB3 GLU 24 5.768 3.148 -4.860 196 HG2 GLU 24 HG2 GLU 24 4.351 1.306 -3.975 197 HG3 GLU 24 HG3 GLU 24 3.202 2.530 -3.426 198 H ASN 25 H ASN 25 6.144 5.726 -3.020 199 HA ASN 25 HA ASN 25 8.807 5.711 -4.007 200 HB2 ASN 25 HB2 ASN 25 8.764 8.164 -3.773 201 HB3 ASN 25 HB3 ASN 25 7.334 7.549 -4.591 202 HD21 ASN 25 HD21 ASN 25 8.575 9.010 -1.678 203 HD22 ASN 25 HD22 ASN 25 7.038 9.491 -1.046 204 H GLU 26 H GLU 26 7.456 6.000 -0.799 205 HA GLU 26 HA GLU 26 9.743 6.841 0.585 206 HB2 GLU 26 HB2 GLU 26 7.161 5.940 1.250 207 HB3 GLU 26 HB3 GLU 26 8.270 4.863 2.086 208 HG2 GLU 26 HG2 GLU 26 7.741 6.652 3.551 209 HG3 GLU 26 HG3 GLU 26 9.410 6.861 3.025 210 H VAL 27 H VAL 27 8.530 3.520 0.120 211 HA VAL 27 HA VAL 27 10.761 2.225 1.218 212 HB VAL 27 HB VAL 27 8.833 1.189 -0.876 213 HG11 VAL 27 HG11 VAL 27 10.879 -0.141 -0.806 214 HG12 VAL 27 HG12 VAL 27 9.518 -1.042 -0.137 215 HG13 VAL 27 HG13 VAL 27 10.712 -0.320 0.940 216 HG21 VAL 27 HG21 VAL 27 8.819 0.894 2.128 217 HG22 VAL 27 HG22 VAL 27 7.679 0.143 1.011 218 HG23 VAL 27 HG23 VAL 27 7.720 1.898 1.183 219 H ALA 28 H ALA 28 10.010 3.197 -2.102 220 HA ALA 28 HA ALA 28 12.167 1.995 -3.403 221 HB1 ALA 28 HB1 ALA 28 11.806 3.612 -5.184 222 HB2 ALA 28 HB2 ALA 28 10.835 4.610 -4.102 223 HB3 ALA 28 HB3 ALA 28 10.265 3.008 -4.575 224 H ARG 29 H ARG 29 11.914 5.173 -1.857 225 HA ARG 29 HA ARG 29 14.509 6.071 -2.515 226 HB2 ARG 29 HB2 ARG 29 12.706 7.553 -1.705 227 HB3 ARG 29 HB3 ARG 29 12.802 6.792 -0.124 228 HG2 ARG 29 HG2 ARG 29 13.962 8.892 -0.062 229 HG3 ARG 29 HG3 ARG 29 15.137 7.582 0.077 230 HD2 ARG 29 HD2 ARG 29 15.970 9.275 -1.434 231 HD3 ARG 29 HD3 ARG 29 15.622 7.796 -2.328 232 HE ARG 29 HE ARG 29 13.425 9.626 -2.333 233 HH11 ARG 29 HH11 ARG 29 16.469 8.852 -3.879 234 HH12 ARG 29 HH12 ARG 29 16.057 9.637 -5.374 235 HH21 ARG 29 HH21 ARG 29 12.870 10.670 -4.275 236 HH22 ARG 29 HH22 ARG 29 14.012 10.701 -5.593 237 H LEU 30 H LEU 30 13.240 4.352 0.303 238 HA LEU 30 HA LEU 30 15.671 4.415 1.756 239 HB2 LEU 30 HB2 LEU 30 13.062 3.032 2.036 240 HB3 LEU 30 HB3 LEU 30 14.421 2.375 2.925 241 HG LEU 30 HG LEU 30 14.735 4.519 4.065 242 HD11 LEU 30 HD11 LEU 30 13.948 6.033 2.342 243 HD12 LEU 30 HD12 LEU 30 13.061 6.297 3.844 244 HD13 LEU 30 HD13 LEU 30 12.306 5.411 2.519 245 HD21 LEU 30 HD21 LEU 30 12.721 4.463 5.431 246 HD22 LEU 30 HD22 LEU 30 13.279 2.833 5.056 247 HD23 LEU 30 HD23 LEU 30 11.899 3.513 4.193 248 H LYS 31 H LYS 31 14.202 1.915 -0.332 249 HA LYS 31 HA LYS 31 16.261 0.024 0.258 250 HB2 LYS 31 HB2 LYS 31 15.332 -1.345 -1.518 251 HB3 LYS 31 HB3 LYS 31 14.054 -0.722 -0.489 252 HG2 LYS 31 HG2 LYS 31 13.528 0.973 -2.174 253 HG3 LYS 31 HG3 LYS 31 14.802 0.326 -3.210 254 HD2 LYS 31 HD2 LYS 31 13.656 -1.784 -3.394 255 HD3 LYS 31 HD3 LYS 31 12.447 -1.276 -2.215 256 HE2 LYS 31 HE2 LYS 31 11.686 0.473 -3.744 257 HE3 LYS 31 HE3 LYS 31 12.905 -0.023 -4.919 258 HZ1 LYS 31 HZ1 LYS 31 11.831 -2.141 -5.147 259 HZ2 LYS 31 HZ2 LYS 31 10.681 -0.924 -5.396 260 HZ3 LYS 31 HZ3 LYS 31 10.715 -1.769 -3.924 261 H LYS 32 H LYS 32 15.898 2.569 -2.103 262 HA LYS 32 HA LYS 32 18.152 1.820 -3.687 263 HB2 LYS 32 HB2 LYS 32 16.433 3.402 -4.480 264 HB3 LYS 32 HB3 LYS 32 16.912 4.546 -3.237 265 HG2 LYS 32 HG2 LYS 32 17.822 5.175 -5.395 266 HG3 LYS 32 HG3 LYS 32 19.118 4.753 -4.272 267 HD2 LYS 32 HD2 LYS 32 19.388 2.599 -5.305 268 HD3 LYS 32 HD3 LYS 32 17.970 2.864 -6.323 269 HE2 LYS 32 HE2 LYS 32 19.097 4.680 -7.469 270 HE3 LYS 32 HE3 LYS 32 20.496 4.514 -6.409 271 HZ1 LYS 32 HZ1 LYS 32 19.540 2.296 -8.122 272 HZ2 LYS 32 HZ2 LYS 32 21.051 2.461 -7.361 273 HZ3 LYS 32 HZ3 LYS 32 20.651 3.448 -8.680 274 H LEU 33 H LEU 33 17.653 3.923 -0.904 275 HA LEU 33 HA LEU 33 20.254 4.933 -0.667 276 HB2 LEU 33 HB2 LEU 33 18.320 5.871 0.497 277 HB3 LEU 33 HB3 LEU 33 18.181 4.418 1.467 278 HG LEU 33 HG LEU 33 20.432 4.929 2.438 279 HD11 LEU 33 HD11 LEU 33 20.055 7.551 0.997 280 HD12 LEU 33 HD12 LEU 33 21.282 6.335 0.640 281 HD13 LEU 33 HD13 LEU 33 21.314 7.191 2.182 282 HD21 LEU 33 HD21 LEU 33 19.619 6.692 3.918 283 HD22 LEU 33 HD22 LEU 33 18.367 5.489 3.614 284 HD23 LEU 33 HD23 LEU 33 18.311 7.047 2.790 285 H VAL 34 H VAL 34 18.743 2.070 0.812 286 HA VAL 34 HA VAL 34 21.175 1.323 2.163 287 HB VAL 34 HB VAL 34 18.872 0.794 3.032 288 HG11 VAL 34 HG11 VAL 34 17.843 0.068 0.950 289 HG12 VAL 34 HG12 VAL 34 17.731 -1.191 2.180 290 HG13 VAL 34 HG13 VAL 34 18.923 -1.325 0.886 291 HG21 VAL 34 HG21 VAL 34 19.481 -1.431 3.879 292 HG22 VAL 34 HG22 VAL 34 20.829 -0.297 3.954 293 HG23 VAL 34 HG23 VAL 34 20.775 -1.521 2.685 294 H GLY 35 H GLY 35 19.756 0.744 -0.930 295 HA2 GLY 35 HA2 GLY 35 21.139 -1.643 -1.605 296 HA3 GLY 35 HA3 GLY 35 20.452 -0.492 -2.741 297 H GLU 36 H GLU 36 21.794 1.757 -2.388 298 HA GLU 36 HA GLU 36 23.717 2.902 -2.701 299 HB2 GLU 36 HB2 GLU 36 24.538 0.657 -0.989 300 HB3 GLU 36 HB3 GLU 36 25.846 1.420 -1.881 301 HG2 GLU 36 HG2 GLU 36 23.901 2.832 -0.071 302 HG3 GLU 36 HG3 GLU 36 25.561 2.393 0.336 303 H ARG 37 H ARG 37 25.998 2.729 -3.634 304 HA ARG 37 HA ARG 37 27.290 2.456 -5.470 305 HB2 ARG 37 HB2 ARG 37 26.475 -0.425 -5.067 306 HB3 ARG 37 HB3 ARG 37 27.844 0.120 -6.028 307 HG2 ARG 37 HG2 ARG 37 28.837 1.115 -4.008 308 HG3 ARG 37 HG3 ARG 37 27.485 0.492 -3.060 309 HD2 ARG 37 HD2 ARG 37 28.093 -1.791 -3.708 310 HD3 ARG 37 HD3 ARG 37 29.453 -1.160 -4.636 311 HE ARG 37 HE ARG 37 29.442 -0.380 -1.857 312 HH11 ARG 37 HH11 ARG 37 30.462 -2.817 -4.171 313 HH12 ARG 37 HH12 ARG 37 31.761 -3.403 -3.172 314 HH21 ARG 37 HH21 ARG 37 31.137 -1.178 -0.531 315 HH22 ARG 37 HH22 ARG 37 32.135 -2.482 -1.105 316 HA2 GLY 0 HA2 GLY 0 -30.272 -16.725 -12.860 317 HA3 GLY 0 HA3 GLY 0 -29.405 -17.645 -11.636 318 H ALA 1 H ALA 1 -29.802 -15.776 -10.267 319 HA ALA 1 HA ALA 1 -27.892 -13.592 -10.794 320 HB1 ALA 1 HB1 ALA 1 -29.359 -12.132 -9.467 321 HB2 ALA 1 HB2 ALA 1 -30.502 -13.462 -9.284 322 HB3 ALA 1 HB3 ALA 1 -30.187 -12.782 -10.881 323 H GLY 2 H GLY 2 -26.139 -14.138 -9.627 324 HA2 GLY 2 HA2 GLY 2 -26.553 -15.229 -6.922 325 HA3 GLY 2 HA3 GLY 2 -25.087 -15.392 -7.876 326 H SER 3 H SER 3 -23.870 -14.647 -6.096 327 HA SER 3 HA SER 3 -24.265 -11.842 -5.333 328 HB2 SER 3 HB2 SER 3 -22.458 -12.550 -3.588 329 HB3 SER 3 HB3 SER 3 -24.116 -13.117 -3.391 330 HG SER 3 HG SER 3 -21.869 -14.539 -4.397 331 H SER 4 H SER 4 -23.331 -12.062 -7.843 332 HA SER 4 HA SER 4 -20.615 -12.327 -8.274 333 HB2 SER 4 HB2 SER 4 -22.503 -10.447 -9.715 334 HB3 SER 4 HB3 SER 4 -21.013 -11.144 -10.353 335 HG SER 4 HG SER 4 -22.008 -13.224 -10.113 336 H SER 5 H SER 5 -22.420 -9.272 -7.901 337 HA SER 5 HA SER 5 -20.162 -7.624 -7.823 338 HB2 SER 5 HB2 SER 5 -22.860 -7.062 -6.577 339 HB3 SER 5 HB3 SER 5 -21.688 -5.883 -7.171 340 HG SER 5 HG SER 5 -22.006 -6.883 -9.284 341 H LEU 6 H LEU 6 -22.190 -8.961 -5.243 342 HA LEU 6 HA LEU 6 -21.169 -7.652 -3.061 343 HB2 LEU 6 HB2 LEU 6 -23.139 -9.242 -3.202 344 HB3 LEU 6 HB3 LEU 6 -21.990 -10.555 -3.078 345 HG LEU 6 HG LEU 6 -22.177 -8.434 -0.943 346 HD11 LEU 6 HD11 LEU 6 -23.681 -9.910 0.278 347 HD12 LEU 6 HD12 LEU 6 -23.723 -11.018 -1.093 348 HD13 LEU 6 HD13 LEU 6 -24.407 -9.400 -1.248 349 HD21 LEU 6 HD21 LEU 6 -21.235 -10.190 0.465 350 HD22 LEU 6 HD22 LEU 6 -20.197 -9.894 -0.930 351 HD23 LEU 6 HD23 LEU 6 -21.249 -11.309 -0.898 352 H GLU 7 H GLU 7 -20.124 -10.870 -4.219 353 HA GLU 7 HA GLU 7 -18.117 -11.156 -2.284 354 HB2 GLU 7 HB2 GLU 7 -18.429 -12.499 -4.972 355 HB3 GLU 7 HB3 GLU 7 -17.320 -13.017 -3.710 356 HG2 GLU 7 HG2 GLU 7 -19.173 -13.500 -2.233 357 HG3 GLU 7 HG3 GLU 7 -20.314 -12.884 -3.427 358 H ALA 8 H ALA 8 -18.054 -9.962 -5.610 359 HA ALA 8 HA ALA 8 -15.300 -9.908 -5.982 360 HB1 ALA 8 HB1 ALA 8 -15.739 -8.344 -7.791 361 HB2 ALA 8 HB2 ALA 8 -17.361 -8.053 -7.167 362 HB3 ALA 8 HB3 ALA 8 -16.931 -9.643 -7.796 363 H VAL 9 H VAL 9 -17.488 -7.397 -4.739 364 HA VAL 9 HA VAL 9 -15.659 -5.319 -4.582 365 HB VAL 9 HB VAL 9 -18.053 -5.849 -2.808 366 HG11 VAL 9 HG11 VAL 9 -16.532 -4.257 -1.754 367 HG12 VAL 9 HG12 VAL 9 -17.997 -3.448 -2.312 368 HG13 VAL 9 HG13 VAL 9 -16.499 -3.295 -3.231 369 HG21 VAL 9 HG21 VAL 9 -19.187 -4.246 -4.296 370 HG22 VAL 9 HG22 VAL 9 -18.644 -5.685 -5.158 371 HG23 VAL 9 HG23 VAL 9 -17.740 -4.178 -5.302 372 H ARG 10 H ARG 10 -16.457 -7.820 -2.203 373 HA ARG 10 HA ARG 10 -15.067 -6.753 -0.033 374 HB2 ARG 10 HB2 ARG 10 -15.447 -9.692 -0.608 375 HB3 ARG 10 HB3 ARG 10 -15.191 -8.945 0.962 376 HG2 ARG 10 HG2 ARG 10 -17.372 -7.776 0.685 377 HG3 ARG 10 HG3 ARG 10 -17.628 -8.719 -0.785 378 HD2 ARG 10 HD2 ARG 10 -17.371 -9.713 2.041 379 HD3 ARG 10 HD3 ARG 10 -18.753 -9.867 0.955 380 HE ARG 10 HE ARG 10 -17.140 -11.300 -0.424 381 HH11 ARG 10 HH11 ARG 10 -17.080 -11.072 3.068 382 HH12 ARG 10 HH12 ARG 10 -16.360 -12.638 3.283 383 HH21 ARG 10 HH21 ARG 10 -16.182 -13.351 -0.151 384 HH22 ARG 10 HH22 ARG 10 -15.859 -13.944 1.455 385 H ARG 11 H ARG 11 -14.043 -9.159 -2.446 386 HA ARG 11 HA ARG 11 -11.533 -9.648 -1.308 387 HB2 ARG 11 HB2 ARG 11 -12.646 -11.135 -2.950 388 HB3 ARG 11 HB3 ARG 11 -12.354 -9.938 -4.204 389 HG2 ARG 11 HG2 ARG 11 -9.970 -10.218 -3.974 390 HG3 ARG 11 HG3 ARG 11 -10.203 -11.326 -2.621 391 HD2 ARG 11 HD2 ARG 11 -11.131 -11.769 -5.455 392 HD3 ARG 11 HD3 ARG 11 -9.734 -12.533 -4.698 393 HE ARG 11 HE ARG 11 -11.688 -13.270 -3.033 394 HH11 ARG 11 HH11 ARG 11 -11.534 -13.297 -6.530 395 HH12 ARG 11 HH12 ARG 11 -12.598 -14.658 -6.706 396 HH21 ARG 11 HH21 ARG 11 -13.113 -15.062 -3.250 397 HH22 ARG 11 HH22 ARG 11 -13.497 -15.664 -4.840 398 H LYS 12 H LYS 12 -12.686 -7.210 -3.530 399 HA LYS 12 HA LYS 12 -10.189 -6.332 -4.468 400 HB2 LYS 12 HB2 LYS 12 -12.444 -5.760 -5.453 401 HB3 LYS 12 HB3 LYS 12 -12.661 -4.630 -4.123 402 HG2 LYS 12 HG2 LYS 12 -11.898 -3.431 -6.048 403 HG3 LYS 12 HG3 LYS 12 -10.602 -3.454 -4.848 404 HD2 LYS 12 HD2 LYS 12 -9.677 -5.459 -6.068 405 HD3 LYS 12 HD3 LYS 12 -10.850 -5.124 -7.341 406 HE2 LYS 12 HE2 LYS 12 -9.885 -2.876 -7.604 407 HE3 LYS 12 HE3 LYS 12 -8.674 -3.271 -6.383 408 HZ1 LYS 12 HZ1 LYS 12 -9.014 -4.470 -9.070 409 HZ2 LYS 12 HZ2 LYS 12 -8.063 -5.194 -7.866 410 HZ3 LYS 12 HZ3 LYS 12 -7.657 -3.655 -8.452 411 H ILE 13 H ILE 13 -12.296 -5.009 -1.894 412 HA ILE 13 HA ILE 13 -10.375 -3.063 -1.167 413 HB ILE 13 HB ILE 13 -11.842 -2.704 0.852 414 HG12 ILE 13 HG12 ILE 13 -14.230 -3.745 0.347 415 HG13 ILE 13 HG13 ILE 13 -13.266 -5.020 -0.386 416 HG21 ILE 13 HG21 ILE 13 -12.053 -1.379 -1.165 417 HG22 ILE 13 HG22 ILE 13 -13.637 -1.664 -0.444 418 HG23 ILE 13 HG23 ILE 13 -13.137 -2.582 -1.864 419 HD11 ILE 13 HD11 ILE 13 -13.855 -5.549 1.905 420 HD12 ILE 13 HD12 ILE 13 -13.064 -4.076 2.463 421 HD13 ILE 13 HD13 ILE 13 -12.110 -5.365 1.730 422 H ARG 14 H ARG 14 -10.998 -6.331 -0.200 423 HA ARG 14 HA ARG 14 -9.630 -6.476 2.207 424 HB2 ARG 14 HB2 ARG 14 -10.886 -8.366 1.352 425 HB3 ARG 14 HB3 ARG 14 -9.835 -8.480 -0.051 426 HG2 ARG 14 HG2 ARG 14 -9.277 -10.220 1.497 427 HG3 ARG 14 HG3 ARG 14 -7.956 -9.054 1.441 428 HD2 ARG 14 HD2 ARG 14 -8.338 -9.663 3.724 429 HD3 ARG 14 HD3 ARG 14 -8.882 -8.001 3.492 430 HE ARG 14 HE ARG 14 -11.181 -9.132 3.205 431 HH11 ARG 14 HH11 ARG 14 -8.646 -10.151 5.394 432 HH12 ARG 14 HH12 ARG 14 -9.745 -10.920 6.507 433 HH21 ARG 14 HH21 ARG 14 -12.627 -10.125 4.660 434 HH22 ARG 14 HH22 ARG 14 -12.015 -10.852 6.120 435 H SER 15 H SER 15 -8.417 -6.933 -1.087 436 HA SER 15 HA SER 15 -5.759 -7.418 -0.489 437 HB2 SER 15 HB2 SER 15 -6.839 -5.998 -2.941 438 HB3 SER 15 HB3 SER 15 -5.324 -6.895 -2.819 439 HG SER 15 HG SER 15 -7.973 -7.871 -2.840 440 H LEU 16 H LEU 16 -7.454 -4.366 -1.088 441 HA LEU 16 HA LEU 16 -5.206 -2.699 -1.092 442 HB2 LEU 16 HB2 LEU 16 -8.056 -2.074 -0.319 443 HB3 LEU 16 HB3 LEU 16 -6.815 -0.879 -0.644 444 HG LEU 16 HG LEU 16 -7.930 -2.846 -2.647 445 HD11 LEU 16 HD11 LEU 16 -9.522 -1.102 -2.061 446 HD12 LEU 16 HD12 LEU 16 -8.906 -0.865 -3.696 447 HD13 LEU 16 HD13 LEU 16 -8.303 0.133 -2.373 448 HD21 LEU 16 HD21 LEU 16 -5.587 -2.342 -3.077 449 HD22 LEU 16 HD22 LEU 16 -5.931 -0.613 -2.986 450 HD23 LEU 16 HD23 LEU 16 -6.625 -1.585 -4.286 451 H GLN 17 H GLN 17 -7.480 -3.538 1.520 452 HA GLN 17 HA GLN 17 -6.443 -1.884 3.488 453 HB2 GLN 17 HB2 GLN 17 -7.783 -4.578 3.746 454 HB3 GLN 17 HB3 GLN 17 -7.426 -3.531 5.110 455 HG2 GLN 17 HG2 GLN 17 -8.861 -1.800 4.138 456 HG3 GLN 17 HG3 GLN 17 -9.248 -2.889 2.806 457 HE21 GLN 17 HE21 GLN 17 -11.443 -2.917 3.309 458 HE22 GLN 17 HE22 GLN 17 -12.059 -3.767 4.685 459 H GLU 18 H GLU 18 -5.672 -5.308 2.855 460 HA GLU 18 HA GLU 18 -3.942 -5.541 5.058 461 HB2 GLU 18 HB2 GLU 18 -5.113 -7.421 3.872 462 HB3 GLU 18 HB3 GLU 18 -3.936 -7.257 2.575 463 HG2 GLU 18 HG2 GLU 18 -2.139 -7.688 4.232 464 HG3 GLU 18 HG3 GLU 18 -3.386 -7.995 5.440 465 H GLN 19 H GLN 19 -3.454 -4.563 1.743 466 HA GLN 19 HA GLN 19 -0.749 -5.006 1.437 467 HB2 GLN 19 HB2 GLN 19 -2.215 -4.276 -0.392 468 HB3 GLN 19 HB3 GLN 19 -2.377 -2.697 0.358 469 HG2 GLN 19 HG2 GLN 19 -0.806 -2.655 -1.501 470 HG3 GLN 19 HG3 GLN 19 -0.012 -2.264 0.023 471 HE21 GLN 19 HE21 GLN 19 1.456 -3.716 0.905 472 HE22 GLN 19 HE22 GLN 19 2.151 -5.010 -0.025 473 H ASN 20 H ASN 20 -2.413 -2.334 3.027 474 HA ASN 20 HA ASN 20 -0.353 -0.552 3.400 475 HB2 ASN 20 HB2 ASN 20 -2.620 -1.264 5.268 476 HB3 ASN 20 HB3 ASN 20 -1.544 0.106 5.520 477 HD21 ASN 20 HD21 ASN 20 -4.154 -1.187 3.656 478 HD22 ASN 20 HD22 ASN 20 -4.543 0.271 2.814 479 H TYR 21 H TYR 21 -1.312 -3.155 5.627 480 HA TYR 21 HA TYR 21 0.609 -2.678 7.564 481 HB2 TYR 21 HB2 TYR 21 -0.870 -5.197 6.815 482 HB3 TYR 21 HB3 TYR 21 0.203 -5.099 8.209 483 HD1 TYR 21 HD1 TYR 21 -3.002 -4.043 6.797 484 HD2 TYR 21 HD2 TYR 21 -0.406 -3.808 10.158 485 HE1 TYR 21 HE1 TYR 21 -4.850 -3.150 8.154 486 HE2 TYR 21 HE2 TYR 21 -2.240 -2.926 11.529 487 HH TYR 21 HH TYR 21 -4.339 -1.800 11.291 488 H HIS 22 H HIS 22 0.741 -4.756 4.707 489 HA HIS 22 HA HIS 22 3.137 -6.054 5.235 490 HB2 HIS 22 HB2 HIS 22 1.875 -5.222 2.620 491 HB3 HIS 22 HB3 HIS 22 3.364 -6.157 2.696 492 HD1 HIS 22 HD1 HIS 22 3.189 -8.604 3.541 493 HD2 HIS 22 HD2 HIS 22 -0.463 -6.653 3.142 494 HE1 HIS 22 HE1 HIS 22 1.437 -10.412 3.652 495 HE2 HIS 22 HE2 HIS 22 -0.765 -9.222 3.317 496 H LEU 23 H LEU 23 2.546 -2.983 3.573 497 HA LEU 23 HA LEU 23 5.274 -2.452 3.038 498 HB2 LEU 23 HB2 LEU 23 2.910 -0.574 3.158 499 HB3 LEU 23 HB3 LEU 23 4.487 -0.170 2.510 500 HG LEU 23 HG LEU 23 2.630 -2.272 1.389 501 HD11 LEU 23 HD11 LEU 23 2.354 -0.710 -0.471 502 HD12 LEU 23 HD12 LEU 23 3.348 0.474 0.376 503 HD13 LEU 23 HD13 LEU 23 1.791 -0.010 1.046 504 HD21 LEU 23 HD21 LEU 23 4.208 -2.344 -0.485 505 HD22 LEU 23 HD22 LEU 23 4.982 -2.821 1.024 506 HD23 LEU 23 HD23 LEU 23 5.265 -1.213 0.360 507 H GLU 24 H GLU 24 2.991 -1.228 5.459 508 HA GLU 24 HA GLU 24 4.617 0.610 6.703 509 HB2 GLU 24 HB2 GLU 24 2.437 -1.114 7.890 510 HB3 GLU 24 HB3 GLU 24 3.153 0.272 8.697 511 HG2 GLU 24 HG2 GLU 24 2.360 1.737 6.927 512 HG3 GLU 24 HG3 GLU 24 1.669 0.355 6.078 513 H ASN 25 H ASN 25 4.209 -2.829 7.483 514 HA ASN 25 HA ASN 25 5.913 -2.820 9.723 515 HB2 ASN 25 HB2 ASN 25 4.828 -4.970 7.936 516 HB3 ASN 25 HB3 ASN 25 6.071 -5.359 9.119 517 HD21 ASN 25 HD21 ASN 25 2.793 -4.296 8.651 518 HD22 ASN 25 HD22 ASN 25 2.260 -4.591 10.273 519 H GLU 26 H GLU 26 6.480 -3.686 6.325 520 HA GLU 26 HA GLU 26 9.106 -4.607 6.800 521 HB2 GLU 26 HB2 GLU 26 7.581 -5.233 4.868 522 HB3 GLU 26 HB3 GLU 26 8.023 -3.693 4.143 523 HG2 GLU 26 HG2 GLU 26 9.343 -5.580 3.278 524 HG3 GLU 26 HG3 GLU 26 10.338 -4.343 4.048 525 H VAL 27 H VAL 27 7.789 -1.525 5.628 526 HA VAL 27 HA VAL 27 10.288 -0.435 4.921 527 HB VAL 27 HB VAL 27 8.103 0.478 4.118 528 HG11 VAL 27 HG11 VAL 27 6.865 0.464 6.221 529 HG12 VAL 27 HG12 VAL 27 6.884 2.076 5.502 530 HG13 VAL 27 HG13 VAL 27 7.938 1.706 6.865 531 HG21 VAL 27 HG21 VAL 27 8.793 2.830 4.172 532 HG22 VAL 27 HG22 VAL 27 10.148 1.751 3.836 533 HG23 VAL 27 HG23 VAL 27 9.954 2.452 5.444 534 H ALA 28 H ALA 28 8.497 -0.589 7.926 535 HA ALA 28 HA ALA 28 9.966 1.302 9.383 536 HB1 ALA 28 HB1 ALA 28 9.087 0.182 11.367 537 HB2 ALA 28 HB2 ALA 28 8.571 -1.183 10.376 538 HB3 ALA 28 HB3 ALA 28 7.825 0.400 10.156 539 H ARG 29 H ARG 29 10.390 -2.152 8.846 540 HA ARG 29 HA ARG 29 12.583 -2.539 10.558 541 HB2 ARG 29 HB2 ARG 29 11.998 -4.045 7.998 542 HB3 ARG 29 HB3 ARG 29 12.936 -4.616 9.372 543 HG2 ARG 29 HG2 ARG 29 9.985 -4.018 9.391 544 HG3 ARG 29 HG3 ARG 29 10.716 -5.621 9.305 545 HD2 ARG 29 HD2 ARG 29 11.652 -5.394 11.490 546 HD3 ARG 29 HD3 ARG 29 11.206 -3.690 11.562 547 HE ARG 29 HE ARG 29 8.959 -4.300 11.902 548 HH11 ARG 29 HH11 ARG 29 11.079 -7.083 11.657 549 HH12 ARG 29 HH12 ARG 29 9.932 -8.166 12.389 550 HH21 ARG 29 HH21 ARG 29 7.464 -5.707 12.845 551 HH22 ARG 29 HH22 ARG 29 7.863 -7.383 13.059 552 H LEU 30 H LEU 30 12.371 -1.940 7.077 553 HA LEU 30 HA LEU 30 15.102 -1.918 6.516 554 HB2 LEU 30 HB2 LEU 30 13.307 -2.056 4.825 555 HB3 LEU 30 HB3 LEU 30 12.874 -0.390 5.160 556 HG LEU 30 HG LEU 30 15.098 0.328 4.353 557 HD11 LEU 30 HD11 LEU 30 16.522 -1.253 3.167 558 HD12 LEU 30 HD12 LEU 30 15.432 -2.571 3.595 559 HD13 LEU 30 HD13 LEU 30 16.327 -1.725 4.856 560 HD21 LEU 30 HD21 LEU 30 13.563 -1.375 2.395 561 HD22 LEU 30 HD22 LEU 30 14.665 -0.057 1.992 562 HD23 LEU 30 HD23 LEU 30 13.160 0.279 2.849 563 H LYS 31 H LYS 31 12.872 0.723 7.265 564 HA LYS 31 HA LYS 31 14.561 2.881 6.982 565 HB2 LYS 31 HB2 LYS 31 12.072 2.902 7.379 566 HB3 LYS 31 HB3 LYS 31 12.406 2.597 9.079 567 HG2 LYS 31 HG2 LYS 31 13.592 4.704 9.248 568 HG3 LYS 31 HG3 LYS 31 13.342 4.999 7.525 569 HD2 LYS 31 HD2 LYS 31 10.881 4.877 7.942 570 HD3 LYS 31 HD3 LYS 31 11.233 4.804 9.670 571 HE2 LYS 31 HE2 LYS 31 12.333 6.972 9.553 572 HE3 LYS 31 HE3 LYS 31 12.046 7.037 7.814 573 HZ1 LYS 31 HZ1 LYS 31 9.974 7.018 9.942 574 HZ2 LYS 31 HZ2 LYS 31 9.649 6.975 8.277 575 HZ3 LYS 31 HZ3 LYS 31 10.396 8.333 8.959 576 H LYS 32 H LYS 32 13.893 0.976 9.917 577 HA LYS 32 HA LYS 32 15.720 2.475 11.508 578 HB2 LYS 32 HB2 LYS 32 13.879 1.371 12.572 579 HB3 LYS 32 HB3 LYS 32 14.387 -0.193 11.951 580 HG2 LYS 32 HG2 LYS 32 16.260 -0.261 13.396 581 HG3 LYS 32 HG3 LYS 32 16.066 1.437 13.834 582 HD2 LYS 32 HD2 LYS 32 14.054 -0.720 14.445 583 HD3 LYS 32 HD3 LYS 32 15.281 -0.152 15.580 584 HE2 LYS 32 HE2 LYS 32 13.135 1.542 14.312 585 HE3 LYS 32 HE3 LYS 32 13.111 0.923 15.961 586 HZ1 LYS 32 HZ1 LYS 32 15.052 2.228 16.475 587 HZ2 LYS 32 HZ2 LYS 32 13.857 3.238 15.827 588 HZ3 LYS 32 HZ3 LYS 32 15.175 2.770 14.872 589 H LEU 33 H LEU 33 15.955 -0.554 9.725 590 HA LEU 33 HA LEU 33 18.363 -1.484 10.817 591 HB2 LEU 33 HB2 LEU 33 16.837 -2.846 9.440 592 HB3 LEU 33 HB3 LEU 33 17.289 -1.910 8.028 593 HG LEU 33 HG LEU 33 19.618 -2.722 8.264 594 HD11 LEU 33 HD11 LEU 33 19.566 -3.143 10.686 595 HD12 LEU 33 HD12 LEU 33 20.114 -4.553 9.780 596 HD13 LEU 33 HD13 LEU 33 18.469 -4.497 10.417 597 HD21 LEU 33 HD21 LEU 33 18.081 -3.856 6.767 598 HD22 LEU 33 HD22 LEU 33 17.504 -4.865 8.093 599 HD23 LEU 33 HD23 LEU 33 19.170 -5.019 7.529 600 H VAL 34 H VAL 34 17.767 0.599 8.001 601 HA VAL 34 HA VAL 34 20.626 0.936 7.586 602 HB VAL 34 HB VAL 34 19.045 0.845 5.660 603 HG11 VAL 34 HG11 VAL 34 17.684 2.785 5.108 604 HG12 VAL 34 HG12 VAL 34 18.157 3.563 6.620 605 HG13 VAL 34 HG13 VAL 34 17.188 2.089 6.651 606 HG21 VAL 34 HG21 VAL 34 20.636 3.396 5.915 607 HG22 VAL 34 HG22 VAL 34 20.047 2.705 4.405 608 HG23 VAL 34 HG23 VAL 34 21.240 1.831 5.366 609 H GLY 35 H GLY 35 18.146 2.383 9.406 610 HA2 GLY 35 HA2 GLY 35 19.140 5.079 9.281 611 HA3 GLY 35 HA3 GLY 35 17.816 4.498 10.273 612 H GLU 36 H GLU 36 18.509 3.141 12.222 613 HA GLU 36 HA GLU 36 21.059 3.954 13.308 614 HB2 GLU 36 HB2 GLU 36 19.731 5.000 15.322 615 HB3 GLU 36 HB3 GLU 36 20.153 5.952 13.911 616 HG2 GLU 36 HG2 GLU 36 17.941 6.524 14.367 617 HG3 GLU 36 HG3 GLU 36 17.832 5.389 13.029 618 H ARG 37 H ARG 37 21.798 2.685 14.860 619 HA ARG 37 HA ARG 37 20.163 1.468 16.826 620 HB2 ARG 37 HB2 ARG 37 19.696 -0.142 15.031 621 HB3 ARG 37 HB3 ARG 37 21.422 -0.391 14.795 622 HG2 ARG 37 HG2 ARG 37 21.627 -1.367 16.993 623 HG3 ARG 37 HG3 ARG 37 19.934 -1.016 17.338 624 HD2 ARG 37 HD2 ARG 37 20.864 -2.801 15.096 625 HD3 ARG 37 HD3 ARG 37 20.403 -3.387 16.694 626 HE ARG 37 HE ARG 37 18.204 -2.109 16.086 627 HH11 ARG 37 HH11 ARG 37 20.187 -4.071 13.967 628 HH12 ARG 37 HH12 ARG 37 18.844 -4.566 12.979 629 HH21 ARG 37 HH21 ARG 37 16.458 -2.741 14.794 630 HH22 ARG 37 HH22 ARG 37 16.718 -3.776 13.419 Start of MODEL 3 1 HA2 GLY 0 HA2 GLY 0 -21.661 1.349 8.103 2 HA3 GLY 0 HA3 GLY 0 -21.012 0.612 6.644 3 H ALA 1 H ALA 1 -23.470 2.120 6.939 4 HA ALA 1 HA ALA 1 -25.253 0.240 5.663 5 HB1 ALA 1 HB1 ALA 1 -25.737 -0.145 8.042 6 HB2 ALA 1 HB2 ALA 1 -27.118 0.539 7.184 7 HB3 ALA 1 HB3 ALA 1 -26.131 1.563 8.226 8 H GLY 2 H GLY 2 -24.847 3.487 7.035 9 HA2 GLY 2 HA2 GLY 2 -26.828 4.586 5.226 10 HA3 GLY 2 HA3 GLY 2 -25.893 5.472 6.422 11 H SER 3 H SER 3 -26.089 6.840 4.264 12 HA SER 3 HA SER 3 -24.348 6.196 2.124 13 HB2 SER 3 HB2 SER 3 -25.296 8.943 2.974 14 HB3 SER 3 HB3 SER 3 -24.715 8.473 1.378 15 HG SER 3 HG SER 3 -27.134 8.547 1.947 16 H SER 4 H SER 4 -23.870 7.623 5.233 17 HA SER 4 HA SER 4 -21.443 8.975 4.771 18 HB2 SER 4 HB2 SER 4 -22.392 7.656 7.327 19 HB3 SER 4 HB3 SER 4 -21.171 8.924 7.194 20 HG SER 4 HG SER 4 -23.080 10.049 6.029 21 H SER 5 H SER 5 -22.221 5.614 5.267 22 HA SER 5 HA SER 5 -19.612 4.710 5.893 23 HB2 SER 5 HB2 SER 5 -21.917 3.221 4.610 24 HB3 SER 5 HB3 SER 5 -20.490 2.482 5.342 25 HG SER 5 HG SER 5 -21.111 3.420 7.335 26 H LEU 6 H LEU 6 -21.417 5.064 2.871 27 HA LEU 6 HA LEU 6 -19.456 3.934 1.181 28 HB2 LEU 6 HB2 LEU 6 -21.905 4.383 0.668 29 HB3 LEU 6 HB3 LEU 6 -21.463 6.062 0.433 30 HG LEU 6 HG LEU 6 -20.151 3.881 -1.172 31 HD11 LEU 6 HD11 LEU 6 -22.565 3.610 -1.433 32 HD12 LEU 6 HD12 LEU 6 -21.829 4.241 -2.906 33 HD13 LEU 6 HD13 LEU 6 -22.717 5.322 -1.833 34 HD21 LEU 6 HD21 LEU 6 -20.675 6.807 -1.701 35 HD22 LEU 6 HD22 LEU 6 -19.853 5.689 -2.791 36 HD23 LEU 6 HD23 LEU 6 -19.127 6.097 -1.238 37 H GLU 7 H GLU 7 -20.131 7.255 2.206 38 HA GLU 7 HA GLU 7 -18.108 8.527 0.725 39 HB2 GLU 7 HB2 GLU 7 -20.128 9.372 2.313 40 HB3 GLU 7 HB3 GLU 7 -18.771 9.611 3.404 41 HG2 GLU 7 HG2 GLU 7 -18.945 10.748 0.621 42 HG3 GLU 7 HG3 GLU 7 -19.388 11.619 2.086 43 H ALA 8 H ALA 8 -18.133 7.098 3.965 44 HA ALA 8 HA ALA 8 -15.508 7.797 4.697 45 HB1 ALA 8 HB1 ALA 8 -17.169 7.029 6.316 46 HB2 ALA 8 HB2 ALA 8 -15.702 6.051 6.395 47 HB3 ALA 8 HB3 ALA 8 -17.139 5.423 5.587 48 H VAL 9 H VAL 9 -16.802 4.936 3.031 49 HA VAL 9 HA VAL 9 -14.363 3.537 2.841 50 HB VAL 9 HB VAL 9 -16.762 3.474 0.997 51 HG11 VAL 9 HG11 VAL 9 -15.881 1.356 0.156 52 HG12 VAL 9 HG12 VAL 9 -14.434 1.560 1.144 53 HG13 VAL 9 HG13 VAL 9 -14.767 2.684 -0.175 54 HG21 VAL 9 HG21 VAL 9 -17.287 1.385 2.169 55 HG22 VAL 9 HG22 VAL 9 -17.249 2.763 3.271 56 HG23 VAL 9 HG23 VAL 9 -15.896 1.632 3.223 57 H ARG 10 H ARG 10 -15.948 5.794 0.589 58 HA ARG 10 HA ARG 10 -13.995 5.851 -1.401 59 HB2 ARG 10 HB2 ARG 10 -16.155 6.937 -1.697 60 HB3 ARG 10 HB3 ARG 10 -15.793 8.077 -0.409 61 HG2 ARG 10 HG2 ARG 10 -15.422 9.289 -2.354 62 HG3 ARG 10 HG3 ARG 10 -13.806 8.791 -1.855 63 HD2 ARG 10 HD2 ARG 10 -13.894 8.407 -4.172 64 HD3 ARG 10 HD3 ARG 10 -14.087 6.820 -3.429 65 HE ARG 10 HE ARG 10 -16.332 6.793 -4.103 66 HH11 ARG 10 HH11 ARG 10 -14.701 9.740 -5.057 67 HH12 ARG 10 HH12 ARG 10 -15.957 10.235 -6.157 68 HH21 ARG 10 HH21 ARG 10 -17.991 7.430 -5.549 69 HH22 ARG 10 HH22 ARG 10 -17.826 8.919 -6.441 70 H ARG 11 H ARG 11 -14.312 7.788 1.536 71 HA ARG 11 HA ARG 11 -12.072 9.424 1.247 72 HB2 ARG 11 HB2 ARG 11 -14.023 9.014 3.170 73 HB3 ARG 11 HB3 ARG 11 -12.551 8.520 3.994 74 HG2 ARG 11 HG2 ARG 11 -12.819 10.787 4.499 75 HG3 ARG 11 HG3 ARG 11 -11.573 10.739 3.250 76 HD2 ARG 11 HD2 ARG 11 -13.343 11.204 1.563 77 HD3 ARG 11 HD3 ARG 11 -14.489 11.415 2.889 78 HE ARG 11 HE ARG 11 -12.061 13.077 2.642 79 HH11 ARG 11 HH11 ARG 11 -15.541 12.762 3.045 80 HH12 ARG 11 HH12 ARG 11 -15.778 14.469 3.322 81 HH21 ARG 11 HH21 ARG 11 -12.397 15.310 2.962 82 HH22 ARG 11 HH22 ARG 11 -13.996 15.909 3.256 83 H LYS 12 H LYS 12 -12.401 6.297 2.887 84 HA LYS 12 HA LYS 12 -9.726 6.119 3.726 85 HB2 LYS 12 HB2 LYS 12 -11.475 4.787 4.769 86 HB3 LYS 12 HB3 LYS 12 -11.749 3.923 3.263 87 HG2 LYS 12 HG2 LYS 12 -9.543 2.939 3.383 88 HG3 LYS 12 HG3 LYS 12 -9.182 3.869 4.837 89 HD2 LYS 12 HD2 LYS 12 -11.410 1.850 4.610 90 HD3 LYS 12 HD3 LYS 12 -9.818 1.509 5.289 91 HE2 LYS 12 HE2 LYS 12 -10.175 3.221 6.997 92 HE3 LYS 12 HE3 LYS 12 -11.762 3.577 6.313 93 HZ1 LYS 12 HZ1 LYS 12 -10.946 0.948 7.433 94 HZ2 LYS 12 HZ2 LYS 12 -12.489 1.363 6.857 95 HZ3 LYS 12 HZ3 LYS 12 -11.877 2.108 8.252 96 H ILE 13 H ILE 13 -11.346 4.677 0.870 97 HA ILE 13 HA ILE 13 -9.069 3.234 0.047 98 HB ILE 13 HB ILE 13 -10.115 3.018 -2.162 99 HG12 ILE 13 HG12 ILE 13 -12.271 4.840 -1.065 100 HG13 ILE 13 HG13 ILE 13 -11.095 5.293 -2.293 101 HG21 ILE 13 HG21 ILE 13 -12.018 2.624 0.140 102 HG22 ILE 13 HG22 ILE 13 -10.745 1.513 -0.365 103 HG23 ILE 13 HG23 ILE 13 -12.115 1.826 -1.431 104 HD11 ILE 13 HD11 ILE 13 -13.224 4.754 -3.302 105 HD12 ILE 13 HD12 ILE 13 -13.194 3.154 -2.558 106 HD13 ILE 13 HD13 ILE 13 -11.999 3.580 -3.782 107 H ARG 14 H ARG 14 -10.120 6.533 -0.693 108 HA ARG 14 HA ARG 14 -8.072 6.958 -2.641 109 HB2 ARG 14 HB2 ARG 14 -10.156 8.326 -2.505 110 HB3 ARG 14 HB3 ARG 14 -9.547 9.041 -1.017 111 HG2 ARG 14 HG2 ARG 14 -7.649 9.964 -2.219 112 HG3 ARG 14 HG3 ARG 14 -8.211 9.213 -3.710 113 HD2 ARG 14 HD2 ARG 14 -8.820 11.547 -3.690 114 HD3 ARG 14 HD3 ARG 14 -10.270 10.552 -3.581 115 HE ARG 14 HE ARG 14 -10.388 11.107 -1.226 116 HH11 ARG 14 HH11 ARG 14 -8.250 13.052 -3.205 117 HH12 ARG 14 HH12 ARG 14 -8.240 14.395 -2.103 118 HH21 ARG 14 HH21 ARG 14 -10.375 12.880 0.223 119 HH22 ARG 14 HH22 ARG 14 -9.447 14.296 -0.158 120 H SER 15 H SER 15 -8.365 7.489 0.827 121 HA SER 15 HA SER 15 -5.891 8.817 1.178 122 HB2 SER 15 HB2 SER 15 -7.849 8.670 2.826 123 HB3 SER 15 HB3 SER 15 -7.248 7.065 3.235 124 HG SER 15 HG SER 15 -5.293 8.007 3.908 125 H LEU 16 H LEU 16 -6.848 5.418 1.183 126 HA LEU 16 HA LEU 16 -4.325 4.364 1.909 127 HB2 LEU 16 HB2 LEU 16 -6.597 3.141 0.345 128 HB3 LEU 16 HB3 LEU 16 -5.184 2.252 0.877 129 HG LEU 16 HG LEU 16 -7.222 3.566 2.673 130 HD11 LEU 16 HD11 LEU 16 -8.036 1.547 1.560 131 HD12 LEU 16 HD12 LEU 16 -7.811 1.288 3.291 132 HD13 LEU 16 HD13 LEU 16 -6.627 0.660 2.144 133 HD21 LEU 16 HD21 LEU 16 -6.006 2.492 4.501 134 HD22 LEU 16 HD22 LEU 16 -4.987 3.651 3.646 135 HD23 LEU 16 HD23 LEU 16 -4.789 1.921 3.360 136 H GLN 17 H GLN 17 -5.806 5.141 -1.213 137 HA GLN 17 HA GLN 17 -3.753 4.177 -2.866 138 HB2 GLN 17 HB2 GLN 17 -5.706 6.449 -3.219 139 HB3 GLN 17 HB3 GLN 17 -4.577 5.960 -4.479 140 HG2 GLN 17 HG2 GLN 17 -5.577 3.832 -4.684 141 HG3 GLN 17 HG3 GLN 17 -6.516 4.053 -3.209 142 HE21 GLN 17 HE21 GLN 17 -8.444 3.638 -4.266 143 HE22 GLN 17 HE22 GLN 17 -9.169 4.772 -5.352 144 H GLU 18 H GLU 18 -4.215 7.360 -1.367 145 HA GLU 18 HA GLU 18 -1.849 8.586 -2.192 146 HB2 GLU 18 HB2 GLU 18 -3.524 9.880 -1.063 147 HB3 GLU 18 HB3 GLU 18 -3.454 8.848 0.357 148 HG2 GLU 18 HG2 GLU 18 -2.369 10.936 0.824 149 HG3 GLU 18 HG3 GLU 18 -1.171 9.648 0.806 150 H GLN 19 H GLN 19 -2.498 6.751 0.779 151 HA GLN 19 HA GLN 19 0.070 6.817 1.842 152 HB2 GLN 19 HB2 GLN 19 -1.913 6.131 3.108 153 HB3 GLN 19 HB3 GLN 19 -2.046 4.679 2.131 154 HG2 GLN 19 HG2 GLN 19 -1.080 4.193 4.300 155 HG3 GLN 19 HG3 GLN 19 0.074 3.876 3.004 156 HE21 GLN 19 HE21 GLN 19 1.902 5.133 2.820 157 HE22 GLN 19 HE22 GLN 19 2.434 6.196 4.079 158 H ASN 20 H ASN 20 -1.386 4.479 -0.394 159 HA ASN 20 HA ASN 20 0.829 2.692 -0.346 160 HB2 ASN 20 HB2 ASN 20 -1.579 2.983 -2.106 161 HB3 ASN 20 HB3 ASN 20 -0.267 1.917 -2.599 162 HD21 ASN 20 HD21 ASN 20 -1.002 2.435 0.747 163 HD22 ASN 20 HD22 ASN 20 -1.658 0.868 1.055 164 H TYR 21 H TYR 21 -0.241 5.014 -2.848 165 HA TYR 21 HA TYR 21 1.946 4.692 -4.555 166 HB2 TYR 21 HB2 TYR 21 -0.136 5.923 -5.126 167 HB3 TYR 21 HB3 TYR 21 0.361 7.226 -4.057 168 HD1 TYR 21 HD1 TYR 21 1.178 5.460 -7.200 169 HD2 TYR 21 HD2 TYR 21 1.910 8.888 -4.784 170 HE1 TYR 21 HE1 TYR 21 2.367 6.519 -9.071 171 HE2 TYR 21 HE2 TYR 21 3.102 9.954 -6.652 172 HH TYR 21 HH TYR 21 2.942 8.803 -9.827 173 H HIS 22 H HIS 22 1.464 6.904 -1.852 174 HA HIS 22 HA HIS 22 3.880 8.321 -2.025 175 HB2 HIS 22 HB2 HIS 22 1.711 8.576 -0.501 176 HB3 HIS 22 HB3 HIS 22 2.707 7.686 0.643 177 HD1 HIS 22 HD1 HIS 22 1.846 10.989 -0.220 178 HD2 HIS 22 HD2 HIS 22 5.395 9.109 0.883 179 HE1 HIS 22 HE1 HIS 22 3.375 12.822 0.584 180 HE2 HIS 22 HE2 HIS 22 5.407 11.627 1.467 181 H LEU 23 H LEU 23 3.019 5.323 -0.354 182 HA LEU 23 HA LEU 23 5.540 5.091 0.969 183 HB2 LEU 23 HB2 LEU 23 3.442 4.155 1.875 184 HB3 LEU 23 HB3 LEU 23 3.403 3.005 0.553 185 HG LEU 23 HG LEU 23 5.456 1.963 1.364 186 HD11 LEU 23 HD11 LEU 23 5.310 4.020 3.563 187 HD12 LEU 23 HD12 LEU 23 6.546 3.909 2.310 188 HD13 LEU 23 HD13 LEU 23 6.408 2.641 3.528 189 HD21 LEU 23 HD21 LEU 23 4.576 1.033 3.457 190 HD22 LEU 23 HD22 LEU 23 3.330 1.136 2.211 191 HD23 LEU 23 HD23 LEU 23 3.374 2.320 3.519 192 H GLU 24 H GLU 24 4.123 3.673 -1.964 193 HA GLU 24 HA GLU 24 6.151 1.823 -2.512 194 HB2 GLU 24 HB2 GLU 24 4.445 3.423 -4.432 195 HB3 GLU 24 HB3 GLU 24 5.486 2.092 -4.917 196 HG2 GLU 24 HG2 GLU 24 4.203 0.577 -3.480 197 HG3 GLU 24 HG3 GLU 24 3.146 1.915 -3.029 198 H ASN 25 H ASN 25 5.845 5.214 -3.538 199 HA ASN 25 HA ASN 25 8.380 5.410 -4.751 200 HB2 ASN 25 HB2 ASN 25 6.555 7.461 -3.502 201 HB3 ASN 25 HB3 ASN 25 8.108 7.909 -4.195 202 HD21 ASN 25 HD21 ASN 25 7.110 9.195 -5.734 203 HD22 ASN 25 HD22 ASN 25 6.273 8.528 -7.093 204 H GLU 26 H GLU 26 7.302 6.021 -1.442 205 HA GLU 26 HA GLU 26 9.693 7.062 -0.432 206 HB2 GLU 26 HB2 GLU 26 7.534 7.253 0.721 207 HB3 GLU 26 HB3 GLU 26 7.531 5.520 1.014 208 HG2 GLU 26 HG2 GLU 26 9.386 5.688 2.497 209 HG3 GLU 26 HG3 GLU 26 9.649 7.377 2.064 210 H VAL 27 H VAL 27 8.429 3.725 -0.155 211 HA VAL 27 HA VAL 27 10.688 2.738 1.197 212 HB VAL 27 HB VAL 27 8.496 1.576 1.176 213 HG11 VAL 27 HG11 VAL 27 9.269 0.733 -1.611 214 HG12 VAL 27 HG12 VAL 27 7.925 1.789 -1.175 215 HG13 VAL 27 HG13 VAL 27 7.914 0.096 -0.680 216 HG21 VAL 27 HG21 VAL 27 10.511 0.417 1.908 217 HG22 VAL 27 HG22 VAL 27 10.813 -0.116 0.254 218 HG23 VAL 27 HG23 VAL 27 9.388 -0.691 1.120 219 H ALA 28 H ALA 28 9.943 2.987 -2.253 220 HA ALA 28 HA ALA 28 12.055 1.441 -3.247 221 HB1 ALA 28 HB1 ALA 28 10.833 3.917 -4.466 222 HB2 ALA 28 HB2 ALA 28 10.220 2.271 -4.642 223 HB3 ALA 28 HB3 ALA 28 11.792 2.705 -5.315 224 H ARG 29 H ARG 29 11.906 4.904 -2.482 225 HA ARG 29 HA ARG 29 14.641 5.335 -3.225 226 HB2 ARG 29 HB2 ARG 29 12.663 7.094 -1.771 227 HB3 ARG 29 HB3 ARG 29 14.250 7.617 -2.327 228 HG2 ARG 29 HG2 ARG 29 13.652 7.267 -4.609 229 HG3 ARG 29 HG3 ARG 29 12.139 6.490 -4.144 230 HD2 ARG 29 HD2 ARG 29 11.371 8.611 -3.169 231 HD3 ARG 29 HD3 ARG 29 12.875 9.378 -3.690 232 HE ARG 29 HE ARG 29 12.021 8.462 -6.012 233 HH11 ARG 29 HH11 ARG 29 10.132 9.942 -3.465 234 HH12 ARG 29 HH12 ARG 29 8.992 10.665 -4.566 235 HH21 ARG 29 HH21 ARG 29 10.538 9.371 -7.451 236 HH22 ARG 29 HH22 ARG 29 9.230 10.349 -6.851 237 H LEU 30 H LEU 30 12.949 4.567 -0.282 238 HA LEU 30 HA LEU 30 15.012 5.164 1.545 239 HB2 LEU 30 HB2 LEU 30 12.498 3.694 1.567 240 HB3 LEU 30 HB3 LEU 30 13.713 2.941 2.581 241 HG LEU 30 HG LEU 30 13.993 5.043 3.819 242 HD11 LEU 30 HD11 LEU 30 12.409 6.884 3.478 243 HD12 LEU 30 HD12 LEU 30 11.761 6.057 2.061 244 HD13 LEU 30 HD13 LEU 30 13.430 6.625 2.066 245 HD21 LEU 30 HD21 LEU 30 12.421 3.410 4.652 246 HD22 LEU 30 HD22 LEU 30 11.151 4.064 3.619 247 HD23 LEU 30 HD23 LEU 30 11.802 5.036 4.939 248 H LYS 31 H LYS 31 14.150 2.053 -0.024 249 HA LYS 31 HA LYS 31 16.493 0.770 0.977 250 HB2 LYS 31 HB2 LYS 31 15.917 -1.081 -0.560 251 HB3 LYS 31 HB3 LYS 31 14.587 -0.599 0.474 252 HG2 LYS 31 HG2 LYS 31 13.537 -0.913 -1.538 253 HG3 LYS 31 HG3 LYS 31 13.855 0.819 -1.579 254 HD2 LYS 31 HD2 LYS 31 15.773 0.480 -3.002 255 HD3 LYS 31 HD3 LYS 31 15.612 -1.273 -2.859 256 HE2 LYS 31 HE2 LYS 31 13.430 -1.159 -3.961 257 HE3 LYS 31 HE3 LYS 31 13.592 0.591 -4.105 258 HZ1 LYS 31 HZ1 LYS 31 15.519 -1.321 -5.304 259 HZ2 LYS 31 HZ2 LYS 31 15.384 0.347 -5.607 260 HZ3 LYS 31 HZ3 LYS 31 14.169 -0.713 -6.136 261 H LYS 32 H LYS 32 15.829 2.750 -1.752 262 HA LYS 32 HA LYS 32 18.102 2.141 -3.309 263 HB2 LYS 32 HB2 LYS 32 16.267 3.515 -4.161 264 HB3 LYS 32 HB3 LYS 32 16.601 4.749 -2.955 265 HG2 LYS 32 HG2 LYS 32 17.467 5.473 -5.057 266 HG3 LYS 32 HG3 LYS 32 18.826 5.089 -3.998 267 HD2 LYS 32 HD2 LYS 32 19.076 2.926 -5.084 268 HD3 LYS 32 HD3 LYS 32 17.690 3.275 -6.118 269 HE2 LYS 32 HE2 LYS 32 18.904 5.211 -7.043 270 HE3 LYS 32 HE3 LYS 32 20.297 4.790 -6.048 271 HZ1 LYS 32 HZ1 LYS 32 20.408 2.656 -7.200 272 HZ2 LYS 32 HZ2 LYS 32 20.571 3.957 -8.278 273 HZ3 LYS 32 HZ3 LYS 32 19.105 3.113 -8.185 274 H LEU 33 H LEU 33 17.551 4.362 -0.618 275 HA LEU 33 HA LEU 33 20.156 5.521 -0.719 276 HB2 LEU 33 HB2 LEU 33 17.989 6.535 0.203 277 HB3 LEU 33 HB3 LEU 33 18.269 5.566 1.632 278 HG LEU 33 HG LEU 33 18.979 7.970 1.796 279 HD11 LEU 33 HD11 LEU 33 19.857 6.285 3.325 280 HD12 LEU 33 HD12 LEU 33 21.070 7.511 2.951 281 HD13 LEU 33 HD13 LEU 33 21.154 5.923 2.188 282 HD21 LEU 33 HD21 LEU 33 21.079 8.622 0.748 283 HD22 LEU 33 HD22 LEU 33 19.857 8.226 -0.460 284 HD23 LEU 33 HD23 LEU 33 21.144 7.076 -0.098 285 H VAL 34 H VAL 34 18.583 3.222 1.514 286 HA VAL 34 HA VAL 34 20.971 2.873 3.043 287 HB VAL 34 HB VAL 34 18.700 2.585 4.007 288 HG11 VAL 34 HG11 VAL 34 17.619 1.418 2.173 289 HG12 VAL 34 HG12 VAL 34 17.494 0.482 3.664 290 HG13 VAL 34 HG13 VAL 34 18.663 0.019 2.429 291 HG21 VAL 34 HG21 VAL 34 20.512 0.188 4.248 292 HG22 VAL 34 HG22 VAL 34 19.230 0.620 5.379 293 HG23 VAL 34 HG23 VAL 34 20.623 1.683 5.176 294 H GLY 35 H GLY 35 19.592 1.276 0.273 295 HA2 GLY 35 HA2 GLY 35 21.281 -1.066 0.548 296 HA3 GLY 35 HA3 GLY 35 20.144 -0.745 -0.753 297 H GLU 36 H GLU 36 21.100 1.789 -1.542 298 HA GLU 36 HA GLU 36 22.589 2.749 -2.959 299 HB2 GLU 36 HB2 GLU 36 24.542 1.075 -1.375 300 HB3 GLU 36 HB3 GLU 36 25.028 2.238 -2.601 301 HG2 GLU 36 HG2 GLU 36 24.030 4.036 -1.333 302 HG3 GLU 36 HG3 GLU 36 23.456 2.887 -0.123 303 H ARG 37 H ARG 37 24.757 1.888 -4.341 304 HA ARG 37 HA ARG 37 23.728 -0.362 -5.904 305 HB2 ARG 37 HB2 ARG 37 24.500 1.804 -7.016 306 HB3 ARG 37 HB3 ARG 37 26.137 1.341 -6.564 307 HG2 ARG 37 HG2 ARG 37 25.447 -0.909 -7.768 308 HG3 ARG 37 HG3 ARG 37 24.320 0.166 -8.595 309 HD2 ARG 37 HD2 ARG 37 26.290 0.070 -9.917 310 HD3 ARG 37 HD3 ARG 37 26.275 1.645 -9.123 311 HE ARG 37 HE ARG 37 27.729 0.124 -7.427 312 HH11 ARG 37 HH11 ARG 37 27.943 0.719 -10.869 313 HH12 ARG 37 HH12 ARG 37 29.664 0.480 -10.927 314 HH21 ARG 37 HH21 ARG 37 29.970 -0.185 -7.491 315 HH22 ARG 37 HH22 ARG 37 30.827 -0.037 -9.001 316 HA2 GLY 0 HA2 GLY 0 -26.382 1.186 -4.943 317 HA3 GLY 0 HA3 GLY 0 -27.638 0.350 -5.847 318 H ALA 1 H ALA 1 -27.198 -1.111 -3.881 319 HA ALA 1 HA ALA 1 -24.773 -2.644 -3.915 320 HB1 ALA 1 HB1 ALA 1 -25.802 -3.938 -2.120 321 HB2 ALA 1 HB2 ALA 1 -27.343 -3.128 -2.410 322 HB3 ALA 1 HB3 ALA 1 -25.956 -2.205 -1.829 323 H GLY 2 H GLY 2 -24.325 -4.381 -5.037 324 HA2 GLY 2 HA2 GLY 2 -26.350 -6.306 -5.765 325 HA3 GLY 2 HA3 GLY 2 -25.645 -5.446 -7.133 326 H SER 3 H SER 3 -25.263 -8.077 -7.180 327 HA SER 3 HA SER 3 -23.153 -9.156 -5.707 328 HB2 SER 3 HB2 SER 3 -23.881 -9.840 -8.567 329 HB3 SER 3 HB3 SER 3 -23.058 -10.881 -7.404 330 HG SER 3 HG SER 3 -24.970 -11.525 -6.874 331 H SER 4 H SER 4 -23.133 -7.420 -8.787 332 HA SER 4 HA SER 4 -20.442 -7.786 -9.423 333 HB2 SER 4 HB2 SER 4 -20.847 -5.691 -10.837 334 HB3 SER 4 HB3 SER 4 -21.897 -7.074 -11.148 335 HG SER 4 HG SER 4 -22.706 -4.693 -10.669 336 H SER 5 H SER 5 -22.095 -5.421 -7.445 337 HA SER 5 HA SER 5 -19.772 -3.749 -7.184 338 HB2 SER 5 HB2 SER 5 -22.084 -2.816 -7.204 339 HB3 SER 5 HB3 SER 5 -22.406 -3.655 -5.688 340 HG SER 5 HG SER 5 -20.508 -1.596 -6.148 341 H LEU 6 H LEU 6 -21.749 -5.728 -4.970 342 HA LEU 6 HA LEU 6 -20.333 -5.146 -2.664 343 HB2 LEU 6 HB2 LEU 6 -22.584 -6.144 -2.740 344 HB3 LEU 6 HB3 LEU 6 -21.890 -7.644 -3.320 345 HG LEU 6 HG LEU 6 -20.640 -7.859 -1.188 346 HD11 LEU 6 HD11 LEU 6 -22.252 -5.440 -0.387 347 HD12 LEU 6 HD12 LEU 6 -20.500 -5.523 -0.569 348 HD13 LEU 6 HD13 LEU 6 -21.298 -6.444 0.706 349 HD21 LEU 6 HD21 LEU 6 -22.602 -8.424 0.193 350 HD22 LEU 6 HD22 LEU 6 -22.744 -9.015 -1.463 351 HD23 LEU 6 HD23 LEU 6 -23.635 -7.577 -0.960 352 H GLU 7 H GLU 7 -20.023 -8.008 -4.787 353 HA GLU 7 HA GLU 7 -18.083 -9.208 -3.118 354 HB2 GLU 7 HB2 GLU 7 -19.610 -10.425 -4.692 355 HB3 GLU 7 HB3 GLU 7 -18.640 -9.814 -6.026 356 HG2 GLU 7 HG2 GLU 7 -16.747 -11.046 -5.343 357 HG3 GLU 7 HG3 GLU 7 -17.469 -11.430 -3.782 358 H ALA 8 H ALA 8 -17.921 -7.049 -5.870 359 HA ALA 8 HA ALA 8 -15.161 -7.388 -6.393 360 HB1 ALA 8 HB1 ALA 8 -16.674 -6.405 -8.047 361 HB2 ALA 8 HB2 ALA 8 -15.335 -5.318 -7.675 362 HB3 ALA 8 HB3 ALA 8 -16.930 -5.019 -6.988 363 H VAL 9 H VAL 9 -16.989 -4.901 -4.624 364 HA VAL 9 HA VAL 9 -14.811 -3.433 -3.701 365 HB VAL 9 HB VAL 9 -17.508 -3.831 -2.380 366 HG11 VAL 9 HG11 VAL 9 -15.432 -1.695 -1.904 367 HG12 VAL 9 HG12 VAL 9 -15.873 -2.982 -0.782 368 HG13 VAL 9 HG13 VAL 9 -17.049 -1.737 -1.202 369 HG21 VAL 9 HG21 VAL 9 -17.679 -2.921 -4.630 370 HG22 VAL 9 HG22 VAL 9 -16.508 -1.663 -4.225 371 HG23 VAL 9 HG23 VAL 9 -18.083 -1.694 -3.429 372 H ARG 10 H ARG 10 -16.586 -6.106 -2.196 373 HA ARG 10 HA ARG 10 -15.306 -6.361 0.212 374 HB2 ARG 10 HB2 ARG 10 -17.236 -7.720 -0.583 375 HB3 ARG 10 HB3 ARG 10 -16.148 -8.611 -1.634 376 HG2 ARG 10 HG2 ARG 10 -16.567 -9.936 0.295 377 HG3 ARG 10 HG3 ARG 10 -14.905 -9.351 0.390 378 HD2 ARG 10 HD2 ARG 10 -15.488 -7.706 2.004 379 HD3 ARG 10 HD3 ARG 10 -17.211 -7.990 1.759 380 HE ARG 10 HE ARG 10 -15.555 -10.184 2.783 381 HH11 ARG 10 HH11 ARG 10 -18.053 -7.786 3.281 382 HH12 ARG 10 HH12 ARG 10 -18.602 -8.470 4.783 383 HH21 ARG 10 HH21 ARG 10 -16.268 -11.097 4.769 384 HH22 ARG 10 HH22 ARG 10 -17.570 -10.342 5.640 385 H ARG 11 H ARG 11 -14.414 -7.929 -2.837 386 HA ARG 11 HA ARG 11 -12.113 -9.222 -1.968 387 HB2 ARG 11 HB2 ARG 11 -13.378 -9.601 -4.109 388 HB3 ARG 11 HB3 ARG 11 -12.661 -8.123 -4.729 389 HG2 ARG 11 HG2 ARG 11 -11.376 -9.865 -5.612 390 HG3 ARG 11 HG3 ARG 11 -10.412 -9.198 -4.293 391 HD2 ARG 11 HD2 ARG 11 -11.106 -11.003 -2.833 392 HD3 ARG 11 HD3 ARG 11 -12.174 -11.640 -4.083 393 HE ARG 11 HE ARG 11 -9.288 -11.443 -4.589 394 HH11 ARG 11 HH11 ARG 11 -12.175 -13.406 -4.160 395 HH12 ARG 11 HH12 ARG 11 -11.415 -14.857 -4.757 396 HH21 ARG 11 HH21 ARG 11 -8.313 -13.349 -5.364 397 HH22 ARG 11 HH22 ARG 11 -9.230 -14.823 -5.421 398 H LYS 12 H LYS 12 -12.580 -6.019 -3.390 399 HA LYS 12 HA LYS 12 -9.839 -5.481 -3.782 400 HB2 LYS 12 HB2 LYS 12 -11.650 -4.392 -5.063 401 HB3 LYS 12 HB3 LYS 12 -12.160 -3.553 -3.606 402 HG2 LYS 12 HG2 LYS 12 -10.849 -2.109 -5.068 403 HG3 LYS 12 HG3 LYS 12 -10.041 -2.367 -3.520 404 HD2 LYS 12 HD2 LYS 12 -8.591 -4.037 -4.541 405 HD3 LYS 12 HD3 LYS 12 -9.417 -3.832 -6.086 406 HE2 LYS 12 HE2 LYS 12 -7.950 -1.635 -4.633 407 HE3 LYS 12 HE3 LYS 12 -7.250 -2.616 -5.921 408 HZ1 LYS 12 HZ1 LYS 12 -8.851 -1.771 -7.457 409 HZ2 LYS 12 HZ2 LYS 12 -8.127 -0.451 -6.680 410 HZ3 LYS 12 HZ3 LYS 12 -9.689 -0.944 -6.235 411 H ILE 13 H ILE 13 -12.150 -4.184 -1.363 412 HA ILE 13 HA ILE 13 -10.236 -2.542 -0.136 413 HB ILE 13 HB ILE 13 -11.817 -2.328 1.734 414 HG12 ILE 13 HG12 ILE 13 -13.476 -4.379 0.247 415 HG13 ILE 13 HG13 ILE 13 -12.636 -4.667 1.767 416 HG21 ILE 13 HG21 ILE 13 -12.108 -0.925 -0.206 417 HG22 ILE 13 HG22 ILE 13 -13.688 -1.384 0.429 418 HG23 ILE 13 HG23 ILE 13 -13.052 -2.178 -1.011 419 HD11 ILE 13 HD11 ILE 13 -14.842 -2.662 1.363 420 HD12 ILE 13 HD12 ILE 13 -14.046 -3.057 2.887 421 HD13 ILE 13 HD13 ILE 13 -15.034 -4.267 2.066 422 H ARG 14 H ARG 14 -11.187 -5.866 0.453 423 HA ARG 14 HA ARG 14 -9.953 -6.191 2.949 424 HB2 ARG 14 HB2 ARG 14 -11.612 -7.751 1.796 425 HB3 ARG 14 HB3 ARG 14 -10.260 -8.329 0.835 426 HG2 ARG 14 HG2 ARG 14 -10.169 -8.386 3.828 427 HG3 ARG 14 HG3 ARG 14 -10.963 -9.663 2.911 428 HD2 ARG 14 HD2 ARG 14 -8.901 -10.148 1.742 429 HD3 ARG 14 HD3 ARG 14 -8.098 -8.800 2.545 430 HE ARG 14 HE ARG 14 -8.982 -10.339 4.603 431 HH11 ARG 14 HH11 ARG 14 -7.031 -10.967 1.767 432 HH12 ARG 14 HH12 ARG 14 -6.105 -12.230 2.521 433 HH21 ARG 14 HH21 ARG 14 -7.752 -11.970 5.607 434 HH22 ARG 14 HH22 ARG 14 -6.504 -12.783 4.712 435 H SER 15 H SER 15 -8.811 -6.716 -0.360 436 HA SER 15 HA SER 15 -6.276 -7.703 0.288 437 HB2 SER 15 HB2 SER 15 -7.113 -6.160 -2.181 438 HB3 SER 15 HB3 SER 15 -5.710 -7.219 -2.035 439 HG SER 15 HG SER 15 -8.433 -7.863 -2.196 440 H LEU 16 H LEU 16 -7.469 -4.433 -0.325 441 HA LEU 16 HA LEU 16 -5.055 -3.067 -0.306 442 HB2 LEU 16 HB2 LEU 16 -7.765 -2.143 0.656 443 HB3 LEU 16 HB3 LEU 16 -6.396 -1.090 0.357 444 HG LEU 16 HG LEU 16 -7.785 -2.763 -1.741 445 HD11 LEU 16 HD11 LEU 16 -9.202 -0.944 -0.965 446 HD12 LEU 16 HD12 LEU 16 -8.604 -0.612 -2.591 447 HD13 LEU 16 HD13 LEU 16 -7.885 0.203 -1.203 448 HD21 LEU 16 HD21 LEU 16 -5.621 -0.676 -2.003 449 HD22 LEU 16 HD22 LEU 16 -6.421 -1.513 -3.333 450 HD23 LEU 16 HD23 LEU 16 -5.406 -2.412 -2.205 451 H GLN 17 H GLN 17 -7.244 -3.826 2.376 452 HA GLN 17 HA GLN 17 -5.780 -2.531 4.379 453 HB2 GLN 17 HB2 GLN 17 -7.695 -4.862 4.519 454 HB3 GLN 17 HB3 GLN 17 -7.058 -4.031 5.930 455 HG2 GLN 17 HG2 GLN 17 -8.108 -1.972 5.244 456 HG3 GLN 17 HG3 GLN 17 -8.672 -2.727 3.753 457 HE21 GLN 17 HE21 GLN 17 -10.820 -2.292 4.250 458 HE22 GLN 17 HE22 GLN 17 -11.679 -3.155 5.478 459 H GLU 18 H GLU 18 -5.794 -5.902 3.290 460 HA GLU 18 HA GLU 18 -4.010 -6.986 5.110 461 HB2 GLU 18 HB2 GLU 18 -5.407 -7.903 2.944 462 HB3 GLU 18 HB3 GLU 18 -3.761 -7.952 2.332 463 HG2 GLU 18 HG2 GLU 18 -4.710 -9.283 4.859 464 HG3 GLU 18 HG3 GLU 18 -4.500 -10.085 3.306 465 H GLN 19 H GLN 19 -3.359 -5.635 1.887 466 HA GLN 19 HA GLN 19 -0.591 -5.962 1.932 467 HB2 GLN 19 HB2 GLN 19 -1.847 -5.532 -0.122 468 HB3 GLN 19 HB3 GLN 19 -2.245 -3.917 0.444 469 HG2 GLN 19 HG2 GLN 19 -0.448 -3.852 -1.182 470 HG3 GLN 19 HG3 GLN 19 0.109 -3.304 0.396 471 HE21 GLN 19 HE21 GLN 19 0.338 -5.774 -2.021 472 HE22 GLN 19 HE22 GLN 19 1.711 -6.588 -1.348 473 H ASN 20 H ASN 20 -2.608 -3.184 2.851 474 HA ASN 20 HA ASN 20 -0.562 -1.373 3.348 475 HB2 ASN 20 HB2 ASN 20 -3.391 -1.621 4.217 476 HB3 ASN 20 HB3 ASN 20 -2.360 -0.548 5.158 477 HD21 ASN 20 HD21 ASN 20 -3.886 -1.103 2.094 478 HD22 ASN 20 HD22 ASN 20 -3.589 0.471 1.436 479 H TYR 21 H TYR 21 -2.114 -3.689 5.551 480 HA TYR 21 HA TYR 21 -0.707 -2.944 7.852 481 HB2 TYR 21 HB2 TYR 21 -2.756 -4.386 7.788 482 HB3 TYR 21 HB3 TYR 21 -1.763 -5.695 7.161 483 HD1 TYR 21 HD1 TYR 21 -2.201 -3.455 10.091 484 HD2 TYR 21 HD2 TYR 21 -0.577 -7.101 8.618 485 HE1 TYR 21 HE1 TYR 21 -1.660 -4.137 12.388 486 HE2 TYR 21 HE2 TYR 21 -0.037 -7.795 10.914 487 HH TYR 21 HH TYR 21 0.380 -6.773 13.100 488 H HIS 22 H HIS 22 -0.024 -5.297 5.311 489 HA HIS 22 HA HIS 22 2.350 -6.344 6.384 490 HB2 HIS 22 HB2 HIS 22 1.408 -7.574 4.611 491 HB3 HIS 22 HB3 HIS 22 1.218 -6.146 3.602 492 HD1 HIS 22 HD1 HIS 22 2.744 -6.202 1.688 493 HD2 HIS 22 HD2 HIS 22 4.454 -7.955 5.052 494 HE1 HIS 22 HE1 HIS 22 5.051 -6.909 0.988 495 HE2 HIS 22 HE2 HIS 22 6.144 -7.748 3.097 496 H LEU 23 H LEU 23 1.774 -3.706 4.084 497 HA LEU 23 HA LEU 23 4.380 -3.044 3.501 498 HB2 LEU 23 HB2 LEU 23 1.931 -1.301 3.696 499 HB3 LEU 23 HB3 LEU 23 3.467 -0.735 3.068 500 HG LEU 23 HG LEU 23 1.819 -2.975 1.892 501 HD11 LEU 23 HD11 LEU 23 1.387 -1.405 0.071 502 HD12 LEU 23 HD12 LEU 23 2.266 -0.150 0.943 503 HD13 LEU 23 HD13 LEU 23 0.765 -0.795 1.606 504 HD21 LEU 23 HD21 LEU 23 4.312 -1.627 0.858 505 HD22 LEU 23 HD22 LEU 23 3.394 -2.896 0.046 506 HD23 LEU 23 HD23 LEU 23 4.238 -3.245 1.554 507 H GLU 24 H GLU 24 2.319 -1.687 6.066 508 HA GLU 24 HA GLU 24 4.017 0.251 7.009 509 HB2 GLU 24 HB2 GLU 24 2.121 -1.457 8.626 510 HB3 GLU 24 HB3 GLU 24 2.817 0.069 9.152 511 HG2 GLU 24 HG2 GLU 24 1.704 1.161 7.212 512 HG3 GLU 24 HG3 GLU 24 0.886 -0.369 6.891 513 H ASN 25 H ASN 25 3.806 -3.125 8.097 514 HA ASN 25 HA ASN 25 5.778 -2.748 10.100 515 HB2 ASN 25 HB2 ASN 25 4.486 -5.225 8.961 516 HB3 ASN 25 HB3 ASN 25 5.710 -5.283 10.225 517 HD21 ASN 25 HD21 ASN 25 2.433 -4.493 9.441 518 HD22 ASN 25 HD22 ASN 25 1.899 -4.236 11.064 519 H GLU 26 H GLU 26 5.826 -3.826 6.763 520 HA GLU 26 HA GLU 26 8.433 -4.959 6.957 521 HB2 GLU 26 HB2 GLU 26 6.779 -5.681 5.252 522 HB3 GLU 26 HB3 GLU 26 6.935 -4.109 4.473 523 HG2 GLU 26 HG2 GLU 26 9.157 -4.527 3.831 524 HG3 GLU 26 HG3 GLU 26 9.296 -5.905 4.923 525 H VAL 27 H VAL 27 7.146 -1.923 5.584 526 HA VAL 27 HA VAL 27 9.670 -0.925 4.838 527 HB VAL 27 HB VAL 27 7.491 -0.064 3.959 528 HG11 VAL 27 HG11 VAL 27 6.251 0.073 6.049 529 HG12 VAL 27 HG12 VAL 27 6.275 1.628 5.217 530 HG13 VAL 27 HG13 VAL 27 7.321 1.358 6.612 531 HG21 VAL 27 HG21 VAL 27 8.187 2.294 3.864 532 HG22 VAL 27 HG22 VAL 27 9.520 1.176 3.565 533 HG23 VAL 27 HG23 VAL 27 9.372 1.976 5.131 534 H ALA 28 H ALA 28 7.943 -1.049 7.836 535 HA ALA 28 HA ALA 28 9.231 0.978 9.250 536 HB1 ALA 28 HB1 ALA 28 8.563 -0.203 11.263 537 HB2 ALA 28 HB2 ALA 28 8.241 -1.664 10.329 538 HB3 ALA 28 HB3 ALA 28 7.246 -0.227 10.090 539 H ARG 29 H ARG 29 10.110 -2.387 8.628 540 HA ARG 29 HA ARG 29 12.242 -2.647 10.361 541 HB2 ARG 29 HB2 ARG 29 11.795 -3.855 7.631 542 HB3 ARG 29 HB3 ARG 29 13.116 -4.330 8.691 543 HG2 ARG 29 HG2 ARG 29 10.198 -4.518 9.412 544 HG3 ARG 29 HG3 ARG 29 11.171 -5.850 8.784 545 HD2 ARG 29 HD2 ARG 29 12.662 -5.683 10.709 546 HD3 ARG 29 HD3 ARG 29 11.723 -4.325 11.327 547 HE ARG 29 HE ARG 29 9.815 -6.043 11.343 548 HH11 ARG 29 HH11 ARG 29 13.180 -6.780 11.987 549 HH12 ARG 29 HH12 ARG 29 12.815 -8.142 13.003 550 HH21 ARG 29 HH21 ARG 29 9.327 -7.794 12.685 551 HH22 ARG 29 HH22 ARG 29 10.608 -8.727 13.397 552 H LEU 30 H LEU 30 12.167 -1.309 7.090 553 HA LEU 30 HA LEU 30 14.920 -1.013 6.730 554 HB2 LEU 30 HB2 LEU 30 12.566 0.481 5.587 555 HB3 LEU 30 HB3 LEU 30 14.215 0.877 5.146 556 HG LEU 30 HG LEU 30 14.469 -1.518 4.363 557 HD11 LEU 30 HD11 LEU 30 12.441 -2.758 3.849 558 HD12 LEU 30 HD12 LEU 30 11.467 -1.512 4.630 559 HD13 LEU 30 HD13 LEU 30 12.587 -2.484 5.585 560 HD21 LEU 30 HD21 LEU 30 14.147 0.358 2.832 561 HD22 LEU 30 HD22 LEU 30 12.398 0.189 2.991 562 HD23 LEU 30 HD23 LEU 30 13.342 -1.100 2.245 563 H LYS 31 H LYS 31 12.549 1.480 7.697 564 HA LYS 31 HA LYS 31 14.586 3.385 8.178 565 HB2 LYS 31 HB2 LYS 31 12.724 4.741 9.178 566 HB3 LYS 31 HB3 LYS 31 12.463 4.221 7.521 567 HG2 LYS 31 HG2 LYS 31 11.041 2.376 8.383 568 HG3 LYS 31 HG3 LYS 31 11.230 3.045 10.005 569 HD2 LYS 31 HD2 LYS 31 10.175 5.109 9.321 570 HD3 LYS 31 HD3 LYS 31 10.094 4.552 7.650 571 HE2 LYS 31 HE2 LYS 31 8.623 2.701 8.388 572 HE3 LYS 31 HE3 LYS 31 8.643 3.374 10.017 573 HZ1 LYS 31 HZ1 LYS 31 6.670 4.037 8.752 574 HZ2 LYS 31 HZ2 LYS 31 7.653 4.795 7.598 575 HZ3 LYS 31 HZ3 LYS 31 7.610 5.379 9.191 576 H LYS 32 H LYS 32 13.048 0.962 10.112 577 HA LYS 32 HA LYS 32 13.809 2.030 12.644 578 HB2 LYS 32 HB2 LYS 32 11.998 0.377 12.330 579 HB3 LYS 32 HB3 LYS 32 13.187 -0.817 11.838 580 HG2 LYS 32 HG2 LYS 32 14.121 -0.901 14.022 581 HG3 LYS 32 HG3 LYS 32 13.164 0.489 14.545 582 HD2 LYS 32 HD2 LYS 32 11.112 -0.786 14.211 583 HD3 LYS 32 HD3 LYS 32 12.053 -2.172 13.662 584 HE2 LYS 32 HE2 LYS 32 12.990 -2.500 15.809 585 HE3 LYS 32 HE3 LYS 32 12.411 -0.935 16.380 586 HZ1 LYS 32 HZ1 LYS 32 10.160 -1.721 16.247 587 HZ2 LYS 32 HZ2 LYS 32 11.063 -2.797 17.201 588 HZ3 LYS 32 HZ3 LYS 32 10.660 -3.209 15.605 589 H LEU 33 H LEU 33 15.215 -0.356 10.433 590 HA LEU 33 HA LEU 33 17.410 -1.026 12.108 591 HB2 LEU 33 HB2 LEU 33 16.562 -2.488 10.317 592 HB3 LEU 33 HB3 LEU 33 17.097 -1.325 9.119 593 HG LEU 33 HG LEU 33 19.441 -1.700 9.850 594 HD11 LEU 33 HD11 LEU 33 18.215 -3.868 11.547 595 HD12 LEU 33 HD12 LEU 33 19.023 -2.413 12.132 596 HD13 LEU 33 HD13 LEU 33 19.938 -3.640 11.257 597 HD21 LEU 33 HD21 LEU 33 17.912 -4.155 8.992 598 HD22 LEU 33 HD22 LEU 33 19.655 -3.934 8.844 599 HD23 LEU 33 HD23 LEU 33 18.554 -2.899 7.934 600 H VAL 34 H VAL 34 16.926 1.371 9.570 601 HA VAL 34 HA VAL 34 19.712 2.149 9.587 602 HB VAL 34 HB VAL 34 18.248 2.318 7.542 603 HG11 VAL 34 HG11 VAL 34 17.108 4.703 8.985 604 HG12 VAL 34 HG12 VAL 34 16.244 3.228 8.551 605 HG13 VAL 34 HG13 VAL 34 16.840 4.304 7.288 606 HG21 VAL 34 HG21 VAL 34 19.234 4.418 6.763 607 HG22 VAL 34 HG22 VAL 34 20.399 3.446 7.664 608 HG23 VAL 34 HG23 VAL 34 19.639 4.842 8.428 609 H GLY 35 H GLY 35 16.870 2.948 11.344 610 HA2 GLY 35 HA2 GLY 35 17.584 5.556 12.200 611 HA3 GLY 35 HA3 GLY 35 16.471 4.469 13.021 612 H GLU 36 H GLU 36 17.877 2.409 13.804 613 HA GLU 36 HA GLU 36 19.361 1.568 15.298 614 HB2 GLU 36 HB2 GLU 36 21.106 3.873 14.403 615 HB3 GLU 36 HB3 GLU 36 21.649 2.482 15.330 616 HG2 GLU 36 HG2 GLU 36 21.129 1.011 13.480 617 HG3 GLU 36 HG3 GLU 36 20.503 2.373 12.550 618 H ARG 37 H ARG 37 21.003 2.477 17.155 619 HA ARG 37 HA ARG 37 20.000 4.889 18.403 620 HB2 ARG 37 HB2 ARG 37 18.541 3.060 19.297 621 HB3 ARG 37 HB3 ARG 37 19.982 2.274 19.932 622 HG2 ARG 37 HG2 ARG 37 20.420 4.169 21.374 623 HG3 ARG 37 HG3 ARG 37 19.045 5.035 20.689 624 HD2 ARG 37 HD2 ARG 37 18.351 4.132 22.774 625 HD3 ARG 37 HD3 ARG 37 17.584 3.179 21.507 626 HE ARG 37 HE ARG 37 19.558 1.590 21.942 627 HH11 ARG 37 HH11 ARG 37 18.059 3.600 24.384 628 HH12 ARG 37 HH12 ARG 37 18.334 2.464 25.669 629 HH21 ARG 37 HH21 ARG 37 19.923 0.089 23.631 630 HH22 ARG 37 HH22 ARG 37 19.402 0.472 25.248 Start of MODEL 4 1 HA2 GLY 0 HA2 GLY 0 -27.681 18.707 5.029 2 HA3 GLY 0 HA3 GLY 0 -28.903 17.442 4.948 3 H ALA 1 H ALA 1 -28.623 16.214 6.686 4 HA ALA 1 HA ALA 1 -25.914 15.639 7.638 5 HB1 ALA 1 HB1 ALA 1 -27.565 16.439 9.268 6 HB2 ALA 1 HB2 ALA 1 -27.000 14.814 9.660 7 HB3 ALA 1 HB3 ALA 1 -28.581 15.043 8.914 8 H GLY 2 H GLY 2 -27.100 14.431 5.209 9 HA2 GLY 2 HA2 GLY 2 -26.795 11.608 6.010 10 HA3 GLY 2 HA3 GLY 2 -28.011 12.106 4.842 11 H SER 3 H SER 3 -26.626 10.320 3.757 12 HA SER 3 HA SER 3 -25.283 9.737 2.031 13 HB2 SER 3 HB2 SER 3 -24.921 12.718 1.621 14 HB3 SER 3 HB3 SER 3 -24.534 11.452 0.455 15 HG SER 3 HG SER 3 -27.127 11.872 1.532 16 H SER 4 H SER 4 -24.296 10.624 4.813 17 HA SER 4 HA SER 4 -21.602 11.453 4.530 18 HB2 SER 4 HB2 SER 4 -22.776 9.915 6.849 19 HB3 SER 4 HB3 SER 4 -21.431 11.057 6.879 20 HG SER 4 HG SER 4 -22.883 12.726 6.417 21 H SER 5 H SER 5 -23.242 8.394 4.524 22 HA SER 5 HA SER 5 -21.059 6.664 4.851 23 HB2 SER 5 HB2 SER 5 -22.602 5.101 3.454 24 HB3 SER 5 HB3 SER 5 -23.180 5.675 5.019 25 HG SER 5 HG SER 5 -24.454 5.897 2.800 26 H LEU 6 H LEU 6 -22.547 8.026 1.928 27 HA LEU 6 HA LEU 6 -20.816 6.849 0.056 28 HB2 LEU 6 HB2 LEU 6 -23.016 8.015 -0.393 29 HB3 LEU 6 HB3 LEU 6 -22.177 9.536 -0.188 30 HG LEU 6 HG LEU 6 -21.322 7.546 -2.280 31 HD11 LEU 6 HD11 LEU 6 -23.379 9.732 -2.551 32 HD12 LEU 6 HD12 LEU 6 -23.679 7.998 -2.653 33 HD13 LEU 6 HD13 LEU 6 -22.699 8.797 -3.881 34 HD21 LEU 6 HD21 LEU 6 -21.017 10.540 -2.049 35 HD22 LEU 6 HD22 LEU 6 -20.437 9.547 -3.386 36 HD23 LEU 6 HD23 LEU 6 -19.750 9.343 -1.774 37 H GLU 7 H GLU 7 -20.719 9.976 1.708 38 HA GLU 7 HA GLU 7 -18.411 11.037 0.574 39 HB2 GLU 7 HB2 GLU 7 -20.126 12.094 2.197 40 HB3 GLU 7 HB3 GLU 7 -19.150 11.394 3.478 41 HG2 GLU 7 HG2 GLU 7 -17.884 13.150 1.422 42 HG3 GLU 7 HG3 GLU 7 -18.791 13.853 2.755 43 H ALA 8 H ALA 8 -18.780 9.033 3.486 44 HA ALA 8 HA ALA 8 -16.075 8.975 4.213 45 HB1 ALA 8 HB1 ALA 8 -18.172 6.892 4.789 46 HB2 ALA 8 HB2 ALA 8 -17.918 8.370 5.717 47 HB3 ALA 8 HB3 ALA 8 -16.661 7.135 5.665 48 H VAL 9 H VAL 9 -17.926 6.835 2.078 49 HA VAL 9 HA VAL 9 -15.926 4.855 1.812 50 HB VAL 9 HB VAL 9 -18.155 5.617 -0.085 51 HG11 VAL 9 HG11 VAL 9 -16.367 4.458 -1.286 52 HG12 VAL 9 HG12 VAL 9 -17.802 3.442 -1.141 53 HG13 VAL 9 HG13 VAL 9 -16.409 3.156 -0.097 54 HG21 VAL 9 HG21 VAL 9 -18.930 4.824 2.082 55 HG22 VAL 9 HG22 VAL 9 -17.918 3.387 1.933 56 HG23 VAL 9 HG23 VAL 9 -19.267 3.636 0.824 57 H ARG 10 H ARG 10 -16.787 7.577 -0.327 58 HA ARG 10 HA ARG 10 -14.701 7.117 -2.183 59 HB2 ARG 10 HB2 ARG 10 -16.857 8.540 -2.402 60 HB3 ARG 10 HB3 ARG 10 -15.918 9.821 -1.656 61 HG2 ARG 10 HG2 ARG 10 -14.915 8.409 -4.093 62 HG3 ARG 10 HG3 ARG 10 -16.093 9.713 -4.219 63 HD2 ARG 10 HD2 ARG 10 -14.550 11.214 -3.054 64 HD3 ARG 10 HD3 ARG 10 -13.374 9.906 -2.925 65 HE ARG 10 HE ARG 10 -13.350 9.915 -5.422 66 HH11 ARG 10 HH11 ARG 10 -14.340 12.773 -3.643 67 HH12 ARG 10 HH12 ARG 10 -13.865 13.875 -4.902 68 HH21 ARG 10 HH21 ARG 10 -12.721 11.364 -7.076 69 HH22 ARG 10 HH22 ARG 10 -12.948 13.074 -6.859 70 H ARG 11 H ARG 11 -14.980 9.078 0.692 71 HA ARG 11 HA ARG 11 -12.543 10.448 0.614 72 HB2 ARG 11 HB2 ARG 11 -14.434 10.929 2.122 73 HB3 ARG 11 HB3 ARG 11 -14.128 9.425 2.971 74 HG2 ARG 11 HG2 ARG 11 -11.959 10.281 3.691 75 HG3 ARG 11 HG3 ARG 11 -12.299 11.806 2.860 76 HD2 ARG 11 HD2 ARG 11 -14.335 12.056 4.232 77 HD3 ARG 11 HD3 ARG 11 -13.901 10.586 5.100 78 HE ARG 11 HE ARG 11 -11.786 11.909 5.681 79 HH11 ARG 11 HH11 ARG 11 -14.929 13.321 5.158 80 HH12 ARG 11 HH12 ARG 11 -14.692 14.619 6.297 81 HH21 ARG 11 HH21 ARG 11 -11.443 13.590 7.182 82 HH22 ARG 11 HH22 ARG 11 -12.693 14.769 7.459 83 H LYS 12 H LYS 12 -13.412 7.337 2.104 84 HA LYS 12 HA LYS 12 -10.885 6.824 3.244 85 HB2 LYS 12 HB2 LYS 12 -12.946 5.709 3.974 86 HB3 LYS 12 HB3 LYS 12 -13.044 4.875 2.434 87 HG2 LYS 12 HG2 LYS 12 -12.184 3.303 3.936 88 HG3 LYS 12 HG3 LYS 12 -10.798 3.850 2.997 89 HD2 LYS 12 HD2 LYS 12 -11.490 5.071 5.656 90 HD3 LYS 12 HD3 LYS 12 -10.514 3.609 5.538 91 HE2 LYS 12 HE2 LYS 12 -8.887 4.811 4.157 92 HE3 LYS 12 HE3 LYS 12 -9.872 6.269 4.266 93 HZ1 LYS 12 HZ1 LYS 12 -8.611 4.873 6.568 94 HZ2 LYS 12 HZ2 LYS 12 -9.527 6.297 6.647 95 HZ3 LYS 12 HZ3 LYS 12 -8.035 6.294 5.846 96 H ILE 13 H ILE 13 -12.345 5.682 0.181 97 HA ILE 13 HA ILE 13 -10.172 4.037 -0.518 98 HB ILE 13 HB ILE 13 -11.021 4.073 -2.827 99 HG12 ILE 13 HG12 ILE 13 -13.055 6.062 -1.785 100 HG13 ILE 13 HG13 ILE 13 -11.734 6.450 -2.881 101 HG21 ILE 13 HG21 ILE 13 -11.980 2.547 -1.193 102 HG22 ILE 13 HG22 ILE 13 -13.202 3.077 -2.348 103 HG23 ILE 13 HG23 ILE 13 -13.163 3.769 -0.725 104 HD11 ILE 13 HD11 ILE 13 -13.845 6.217 -4.062 105 HD12 ILE 13 HD12 ILE 13 -14.004 4.565 -3.468 106 HD13 ILE 13 HD13 ILE 13 -12.691 4.984 -4.568 107 H ARG 14 H ARG 14 -10.830 7.451 -1.236 108 HA ARG 14 HA ARG 14 -8.604 7.867 -2.903 109 HB2 ARG 14 HB2 ARG 14 -10.334 9.529 -2.842 110 HB3 ARG 14 HB3 ARG 14 -10.143 9.757 -1.113 111 HG2 ARG 14 HG2 ARG 14 -7.783 10.305 -2.814 112 HG3 ARG 14 HG3 ARG 14 -9.132 11.437 -2.903 113 HD2 ARG 14 HD2 ARG 14 -8.982 11.971 -0.626 114 HD3 ARG 14 HD3 ARG 14 -7.994 10.557 -0.273 115 HE ARG 14 HE ARG 14 -6.388 11.922 -1.921 116 HH11 ARG 14 HH11 ARG 14 -8.289 13.002 0.815 117 HH12 ARG 14 HH12 ARG 14 -7.128 14.183 1.333 118 HH21 ARG 14 HH21 ARG 14 -4.842 13.472 -1.245 119 HH22 ARG 14 HH22 ARG 14 -5.187 14.486 0.131 120 H SER 15 H SER 15 -8.998 8.161 0.597 121 HA SER 15 HA SER 15 -6.428 9.111 1.200 122 HB2 SER 15 HB2 SER 15 -8.344 9.139 2.778 123 HB3 SER 15 HB3 SER 15 -8.243 7.385 2.909 124 HG SER 15 HG SER 15 -6.633 9.361 4.013 125 H LEU 16 H LEU 16 -7.724 5.812 1.061 126 HA LEU 16 HA LEU 16 -5.368 4.509 1.895 127 HB2 LEU 16 HB2 LEU 16 -7.687 3.518 0.240 128 HB3 LEU 16 HB3 LEU 16 -6.412 2.486 0.857 129 HG LEU 16 HG LEU 16 -8.288 4.114 2.569 130 HD11 LEU 16 HD11 LEU 16 -9.332 1.995 3.129 131 HD12 LEU 16 HD12 LEU 16 -8.259 1.154 2.010 132 HD13 LEU 16 HD13 LEU 16 -9.445 2.308 1.397 133 HD21 LEU 16 HD21 LEU 16 -6.099 3.733 3.593 134 HD22 LEU 16 HD22 LEU 16 -6.270 2.000 3.311 135 HD23 LEU 16 HD23 LEU 16 -7.368 2.828 4.417 136 H GLN 17 H GLN 17 -6.663 5.152 -1.368 137 HA GLN 17 HA GLN 17 -4.693 3.846 -2.830 138 HB2 GLN 17 HB2 GLN 17 -6.294 6.315 -3.487 139 HB3 GLN 17 HB3 GLN 17 -5.207 5.553 -4.640 140 HG2 GLN 17 HG2 GLN 17 -6.514 3.477 -4.464 141 HG3 GLN 17 HG3 GLN 17 -7.620 4.290 -3.358 142 HE21 GLN 17 HE21 GLN 17 -9.375 4.009 -4.722 143 HE22 GLN 17 HE22 GLN 17 -9.563 4.903 -6.186 144 H GLU 18 H GLU 18 -4.771 7.276 -1.842 145 HA GLU 18 HA GLU 18 -2.297 7.937 -3.007 146 HB2 GLU 18 HB2 GLU 18 -4.036 9.576 -2.247 147 HB3 GLU 18 HB3 GLU 18 -3.542 9.253 -0.589 148 HG2 GLU 18 HG2 GLU 18 -1.246 9.990 -1.196 149 HG3 GLU 18 HG3 GLU 18 -1.861 10.450 -2.782 150 H GLN 19 H GLN 19 -3.130 6.908 0.281 151 HA GLN 19 HA GLN 19 -0.563 7.193 1.394 152 HB2 GLN 19 HB2 GLN 19 -2.672 6.878 2.693 153 HB3 GLN 19 HB3 GLN 19 -2.691 5.194 2.190 154 HG2 GLN 19 HG2 GLN 19 -1.815 5.410 4.435 155 HG3 GLN 19 HG3 GLN 19 -0.567 4.822 3.339 156 HE21 GLN 19 HE21 GLN 19 -1.682 7.515 5.242 157 HE22 GLN 19 HE22 GLN 19 -0.188 8.395 5.218 158 H ASN 20 H ASN 20 -2.139 4.433 -0.190 159 HA ASN 20 HA ASN 20 -0.046 2.586 0.236 160 HB2 ASN 20 HB2 ASN 20 -2.296 2.708 -1.759 161 HB3 ASN 20 HB3 ASN 20 -1.100 1.420 -1.813 162 HD21 ASN 20 HD21 ASN 20 -2.094 2.839 1.204 163 HD22 ASN 20 HD22 ASN 20 -3.000 1.485 1.778 164 H TYR 21 H TYR 21 -0.778 4.721 -2.515 165 HA TYR 21 HA TYR 21 1.422 3.999 -4.105 166 HB2 TYR 21 HB2 TYR 21 0.019 6.668 -3.870 167 HB3 TYR 21 HB3 TYR 21 1.185 6.268 -5.123 168 HD1 TYR 21 HD1 TYR 21 0.243 3.421 -5.635 169 HD2 TYR 21 HD2 TYR 21 -1.876 7.082 -5.201 170 HE1 TYR 21 HE1 TYR 21 -1.569 2.533 -7.037 171 HE2 TYR 21 HE2 TYR 21 -3.693 6.204 -6.603 172 HH TYR 21 HH TYR 21 -3.944 2.904 -7.432 173 H HIS 22 H HIS 22 1.034 6.471 -1.619 174 HA HIS 22 HA HIS 22 3.562 7.654 -1.825 175 HB2 HIS 22 HB2 HIS 22 1.438 8.384 -0.505 176 HB3 HIS 22 HB3 HIS 22 2.109 7.409 0.800 177 HD1 HIS 22 HD1 HIS 22 1.736 10.518 0.949 178 HD2 HIS 22 HD2 HIS 22 5.281 8.550 0.007 179 HE1 HIS 22 HE1 HIS 22 3.587 12.137 1.502 180 HE2 HIS 22 HE2 HIS 22 5.724 10.882 1.016 181 H LEU 23 H LEU 23 2.421 4.938 0.153 182 HA LEU 23 HA LEU 23 4.739 4.477 1.625 183 HB2 LEU 23 HB2 LEU 23 2.685 2.517 0.598 184 HB3 LEU 23 HB3 LEU 23 3.961 2.085 1.717 185 HG LEU 23 HG LEU 23 1.774 4.101 2.258 186 HD11 LEU 23 HD11 LEU 23 0.952 1.802 2.183 187 HD12 LEU 23 HD12 LEU 23 0.935 2.436 3.828 188 HD13 LEU 23 HD13 LEU 23 2.201 1.314 3.331 189 HD21 LEU 23 HD21 LEU 23 3.842 4.670 3.418 190 HD22 LEU 23 HD22 LEU 23 3.963 3.022 4.039 191 HD23 LEU 23 HD23 LEU 23 2.636 4.064 4.553 192 H GLU 24 H GLU 24 3.778 2.974 -1.473 193 HA GLU 24 HA GLU 24 6.163 1.517 -1.813 194 HB2 GLU 24 HB2 GLU 24 3.970 2.381 -3.653 195 HB3 GLU 24 HB3 GLU 24 5.412 1.618 -4.312 196 HG2 GLU 24 HG2 GLU 24 3.756 0.386 -2.126 197 HG3 GLU 24 HG3 GLU 24 3.467 0.094 -3.839 198 H ASN 25 H ASN 25 5.257 4.759 -2.920 199 HA ASN 25 HA ASN 25 7.586 5.213 -4.463 200 HB2 ASN 25 HB2 ASN 25 5.532 7.006 -3.220 201 HB3 ASN 25 HB3 ASN 25 6.995 7.707 -3.902 202 HD21 ASN 25 HD21 ASN 25 4.054 5.970 -4.590 203 HD22 ASN 25 HD22 ASN 25 4.069 6.237 -6.302 204 H GLU 26 H GLU 26 6.795 5.871 -1.082 205 HA GLU 26 HA GLU 26 9.208 7.289 -0.547 206 HB2 GLU 26 HB2 GLU 26 6.873 7.190 0.725 207 HB3 GLU 26 HB3 GLU 26 7.707 5.953 1.657 208 HG2 GLU 26 HG2 GLU 26 7.948 8.036 2.783 209 HG3 GLU 26 HG3 GLU 26 9.516 7.583 2.111 210 H VAL 27 H VAL 27 8.167 3.929 -0.052 211 HA VAL 27 HA VAL 27 10.523 3.158 1.343 212 HB VAL 27 HB VAL 27 8.380 1.851 1.401 213 HG11 VAL 27 HG11 VAL 27 7.857 1.892 -0.985 214 HG12 VAL 27 HG12 VAL 27 7.919 0.242 -0.367 215 HG13 VAL 27 HG13 VAL 27 9.264 0.879 -1.313 216 HG21 VAL 27 HG21 VAL 27 9.491 -0.367 1.406 217 HG22 VAL 27 HG22 VAL 27 10.400 0.871 2.271 218 HG23 VAL 27 HG23 VAL 27 10.905 0.376 0.655 219 H ALA 28 H ALA 28 9.641 3.344 -2.051 220 HA ALA 28 HA ALA 28 11.864 2.019 -3.140 221 HB1 ALA 28 HB1 ALA 28 9.918 2.694 -4.478 222 HB2 ALA 28 HB2 ALA 28 11.424 3.290 -5.178 223 HB3 ALA 28 HB3 ALA 28 10.372 4.385 -4.279 224 H ARG 29 H ARG 29 11.370 5.417 -2.207 225 HA ARG 29 HA ARG 29 13.925 6.402 -2.763 226 HB2 ARG 29 HB2 ARG 29 11.758 7.131 -0.869 227 HB3 ARG 29 HB3 ARG 29 13.358 7.752 -0.491 228 HG2 ARG 29 HG2 ARG 29 12.048 9.358 -1.747 229 HG3 ARG 29 HG3 ARG 29 13.460 8.839 -2.663 230 HD2 ARG 29 HD2 ARG 29 12.132 7.430 -4.048 231 HD3 ARG 29 HD3 ARG 29 10.718 7.660 -3.017 232 HE ARG 29 HE ARG 29 10.588 9.929 -3.788 233 HH11 ARG 29 HH11 ARG 29 12.750 7.843 -5.582 234 HH12 ARG 29 HH12 ARG 29 12.791 8.862 -6.986 235 HH21 ARG 29 HH21 ARG 29 10.639 11.285 -5.629 236 HH22 ARG 29 HH22 ARG 29 11.612 10.836 -7.004 237 H LEU 30 H LEU 30 12.699 4.871 0.175 238 HA LEU 30 HA LEU 30 14.999 5.098 1.739 239 HB2 LEU 30 HB2 LEU 30 12.797 4.542 2.635 240 HB3 LEU 30 HB3 LEU 30 12.837 2.996 1.811 241 HG LEU 30 HG LEU 30 14.770 2.331 3.206 242 HD11 LEU 30 HD11 LEU 30 14.214 4.896 4.692 243 HD12 LEU 30 HD12 LEU 30 15.627 4.580 3.685 244 HD13 LEU 30 HD13 LEU 30 15.366 3.644 5.157 245 HD21 LEU 30 HD21 LEU 30 13.492 1.997 5.256 246 HD22 LEU 30 HD22 LEU 30 12.499 1.712 3.827 247 HD23 LEU 30 HD23 LEU 30 12.329 3.214 4.732 248 H LYS 31 H LYS 31 13.900 2.272 -0.184 249 HA LYS 31 HA LYS 31 16.222 0.775 0.531 250 HB2 LYS 31 HB2 LYS 31 15.425 -0.906 -1.059 251 HB3 LYS 31 HB3 LYS 31 14.154 -0.376 0.029 252 HG2 LYS 31 HG2 LYS 31 13.252 1.057 -1.743 253 HG3 LYS 31 HG3 LYS 31 14.515 0.476 -2.834 254 HD2 LYS 31 HD2 LYS 31 13.688 -1.800 -2.609 255 HD3 LYS 31 HD3 LYS 31 12.454 -1.257 -1.470 256 HE2 LYS 31 HE2 LYS 31 11.453 0.129 -3.221 257 HE3 LYS 31 HE3 LYS 31 12.690 -0.414 -4.356 258 HZ1 LYS 31 HZ1 LYS 31 10.632 -1.653 -4.620 259 HZ2 LYS 31 HZ2 LYS 31 10.704 -2.161 -3.007 260 HZ3 LYS 31 HZ3 LYS 31 11.885 -2.674 -4.106 261 H LYS 32 H LYS 32 15.508 2.978 -2.067 262 HA LYS 32 HA LYS 32 17.766 2.116 -3.641 263 HB2 LYS 32 HB2 LYS 32 15.645 3.288 -4.518 264 HB3 LYS 32 HB3 LYS 32 16.370 4.772 -3.910 265 HG2 LYS 32 HG2 LYS 32 16.825 4.507 -6.275 266 HG3 LYS 32 HG3 LYS 32 18.321 4.400 -5.344 267 HD2 LYS 32 HD2 LYS 32 18.154 1.931 -5.438 268 HD3 LYS 32 HD3 LYS 32 16.734 2.095 -6.469 269 HE2 LYS 32 HE2 LYS 32 18.101 3.295 -8.125 270 HE3 LYS 32 HE3 LYS 32 19.515 3.073 -7.093 271 HZ1 LYS 32 HZ1 LYS 32 19.166 0.649 -7.286 272 HZ2 LYS 32 HZ2 LYS 32 19.509 1.388 -8.774 273 HZ3 LYS 32 HZ3 LYS 32 17.917 0.937 -8.397 274 H LEU 33 H LEU 33 17.157 4.238 -1.012 275 HA LEU 33 HA LEU 33 19.528 5.827 -1.301 276 HB2 LEU 33 HB2 LEU 33 17.569 6.657 -0.089 277 HB3 LEU 33 HB3 LEU 33 17.731 5.365 1.085 278 HG LEU 33 HG LEU 33 19.936 6.318 1.750 279 HD11 LEU 33 HD11 LEU 33 20.474 8.600 1.070 280 HD12 LEU 33 HD12 LEU 33 19.102 8.594 -0.040 281 HD13 LEU 33 HD13 LEU 33 20.461 7.500 -0.308 282 HD21 LEU 33 HD21 LEU 33 17.926 6.805 3.029 283 HD22 LEU 33 HD22 LEU 33 17.564 8.166 1.969 284 HD23 LEU 33 HD23 LEU 33 18.996 8.206 2.996 285 H VAL 34 H VAL 34 18.605 2.948 0.530 286 HA VAL 34 HA VAL 34 21.219 2.771 1.762 287 HB VAL 34 HB VAL 34 19.267 2.060 3.054 288 HG11 VAL 34 HG11 VAL 34 17.838 1.236 1.299 289 HG12 VAL 34 HG12 VAL 34 18.087 -0.025 2.509 290 HG13 VAL 34 HG13 VAL 34 18.954 -0.088 0.973 291 HG21 VAL 34 HG21 VAL 34 21.143 -0.202 2.403 292 HG22 VAL 34 HG22 VAL 34 20.105 -0.118 3.825 293 HG23 VAL 34 HG23 VAL 34 21.397 1.062 3.605 294 H GLY 35 H GLY 35 19.486 1.266 -0.894 295 HA2 GLY 35 HA2 GLY 35 21.457 -0.778 -1.324 296 HA3 GLY 35 HA3 GLY 35 20.122 -0.372 -2.392 297 H GLU 36 H GLU 36 20.582 2.213 -3.014 298 HA GLU 36 HA GLU 36 21.672 3.522 -4.508 299 HB2 GLU 36 HB2 GLU 36 24.154 2.395 -3.200 300 HB3 GLU 36 HB3 GLU 36 24.066 3.863 -4.163 301 HG2 GLU 36 HG2 GLU 36 22.485 4.786 -2.463 302 HG3 GLU 36 HG3 GLU 36 22.812 3.363 -1.475 303 H ARG 37 H ARG 37 24.290 3.000 -5.696 304 HA ARG 37 HA ARG 37 23.461 1.230 -7.796 305 HB2 ARG 37 HB2 ARG 37 24.767 3.205 -8.346 306 HB3 ARG 37 HB3 ARG 37 26.078 2.668 -7.304 307 HG2 ARG 37 HG2 ARG 37 26.535 2.296 -9.689 308 HG3 ARG 37 HG3 ARG 37 26.524 0.796 -8.758 309 HD2 ARG 37 HD2 ARG 37 24.128 0.505 -9.481 310 HD3 ARG 37 HD3 ARG 37 24.381 1.853 -10.589 311 HE ARG 37 HE ARG 37 26.399 0.242 -11.266 312 HH11 ARG 37 HH11 ARG 37 22.999 -0.436 -10.750 313 HH12 ARG 37 HH12 ARG 37 22.970 -1.786 -11.846 314 HH21 ARG 37 HH21 ARG 37 26.366 -1.545 -12.700 315 HH22 ARG 37 HH22 ARG 37 24.879 -2.410 -12.960 316 HA2 GLY 0 HA2 GLY 0 -27.590 -7.215 -0.141 317 HA3 GLY 0 HA3 GLY 0 -26.565 -5.852 0.287 318 H ALA 1 H ALA 1 -26.128 -4.360 -1.216 319 HA ALA 1 HA ALA 1 -27.423 -4.655 -3.795 320 HB1 ALA 1 HB1 ALA 1 -27.683 -2.582 -2.526 321 HB2 ALA 1 HB2 ALA 1 -26.918 -2.289 -4.086 322 HB3 ALA 1 HB3 ALA 1 -25.944 -2.306 -2.616 323 H GLY 2 H GLY 2 -26.355 -5.660 -5.366 324 HA2 GLY 2 HA2 GLY 2 -24.734 -5.609 -7.082 325 HA3 GLY 2 HA3 GLY 2 -23.664 -4.710 -6.016 326 H SER 3 H SER 3 -25.057 -7.890 -6.620 327 HA SER 3 HA SER 3 -23.492 -9.348 -4.806 328 HB2 SER 3 HB2 SER 3 -25.515 -10.254 -5.873 329 HB3 SER 3 HB3 SER 3 -24.702 -10.239 -7.437 330 HG SER 3 HG SER 3 -23.348 -11.849 -6.759 331 H SER 4 H SER 4 -22.922 -8.342 -8.134 332 HA SER 4 HA SER 4 -20.540 -9.852 -8.486 333 HB2 SER 4 HB2 SER 4 -21.422 -7.360 -9.957 334 HB3 SER 4 HB3 SER 4 -20.271 -8.570 -10.523 335 HG SER 4 HG SER 4 -22.529 -8.700 -11.317 336 H SER 5 H SER 5 -21.293 -6.532 -7.562 337 HA SER 5 HA SER 5 -18.667 -5.567 -7.503 338 HB2 SER 5 HB2 SER 5 -21.010 -4.614 -5.837 339 HB3 SER 5 HB3 SER 5 -19.583 -3.683 -6.300 340 HG SER 5 HG SER 5 -20.337 -4.243 -8.560 341 H LEU 6 H LEU 6 -20.656 -7.228 -5.149 342 HA LEU 6 HA LEU 6 -19.272 -6.792 -2.812 343 HB2 LEU 6 HB2 LEU 6 -21.433 -8.230 -3.475 344 HB3 LEU 6 HB3 LEU 6 -20.278 -9.540 -3.357 345 HG LEU 6 HG LEU 6 -20.913 -7.591 -1.135 346 HD11 LEU 6 HD11 LEU 6 -21.735 -10.472 -1.467 347 HD12 LEU 6 HD12 LEU 6 -22.791 -9.077 -1.681 348 HD13 LEU 6 HD13 LEU 6 -22.102 -9.424 -0.096 349 HD21 LEU 6 HD21 LEU 6 -18.637 -8.474 -0.999 350 HD22 LEU 6 HD22 LEU 6 -19.263 -10.118 -1.127 351 HD23 LEU 6 HD23 LEU 6 -19.657 -9.133 0.280 352 H GLU 7 H GLU 7 -18.721 -9.254 -5.304 353 HA GLU 7 HA GLU 7 -16.661 -10.673 -4.122 354 HB2 GLU 7 HB2 GLU 7 -17.025 -10.034 -7.057 355 HB3 GLU 7 HB3 GLU 7 -16.018 -11.321 -6.408 356 HG2 GLU 7 HG2 GLU 7 -19.007 -11.117 -6.104 357 HG3 GLU 7 HG3 GLU 7 -18.157 -12.148 -7.255 358 H ALA 8 H ALA 8 -16.454 -7.882 -6.310 359 HA ALA 8 HA ALA 8 -13.660 -7.707 -6.334 360 HB1 ALA 8 HB1 ALA 8 -14.014 -5.453 -7.258 361 HB2 ALA 8 HB2 ALA 8 -15.728 -5.575 -6.862 362 HB3 ALA 8 HB3 ALA 8 -15.019 -6.665 -8.052 363 H VAL 9 H VAL 9 -16.114 -5.920 -4.473 364 HA VAL 9 HA VAL 9 -14.380 -4.232 -3.100 365 HB VAL 9 HB VAL 9 -17.054 -5.323 -2.185 366 HG11 VAL 9 HG11 VAL 9 -15.488 -2.939 -1.196 367 HG12 VAL 9 HG12 VAL 9 -15.795 -4.427 -0.302 368 HG13 VAL 9 HG13 VAL 9 -17.133 -3.355 -0.717 369 HG21 VAL 9 HG21 VAL 9 -16.313 -2.793 -3.653 370 HG22 VAL 9 HG22 VAL 9 -17.907 -3.131 -2.983 371 HG23 VAL 9 HG23 VAL 9 -17.263 -4.141 -4.278 372 H ARG 10 H ARG 10 -15.594 -7.453 -2.286 373 HA ARG 10 HA ARG 10 -14.645 -7.749 0.269 374 HB2 ARG 10 HB2 ARG 10 -16.035 -9.439 -0.754 375 HB3 ARG 10 HB3 ARG 10 -14.799 -9.792 -1.953 376 HG2 ARG 10 HG2 ARG 10 -13.326 -10.622 -0.175 377 HG3 ARG 10 HG3 ARG 10 -14.594 -10.301 1.011 378 HD2 ARG 10 HD2 ARG 10 -14.887 -12.154 -1.352 379 HD3 ARG 10 HD3 ARG 10 -14.471 -12.675 0.281 380 HE ARG 10 HE ARG 10 -16.664 -11.827 0.990 381 HH11 ARG 10 HH11 ARG 10 -16.157 -12.420 -2.424 382 HH12 ARG 10 HH12 ARG 10 -17.843 -12.658 -2.770 383 HH21 ARG 10 HH21 ARG 10 -18.857 -12.199 0.570 384 HH22 ARG 10 HH22 ARG 10 -19.385 -12.570 -1.052 385 H ARG 11 H ARG 11 -12.911 -8.792 -2.689 386 HA ARG 11 HA ARG 11 -10.585 -9.426 -1.215 387 HB2 ARG 11 HB2 ARG 11 -11.126 -10.471 -3.400 388 HB3 ARG 11 HB3 ARG 11 -10.815 -8.927 -4.189 389 HG2 ARG 11 HG2 ARG 11 -8.506 -8.994 -3.556 390 HG3 ARG 11 HG3 ARG 11 -8.773 -10.415 -2.548 391 HD2 ARG 11 HD2 ARG 11 -7.728 -11.050 -4.639 392 HD3 ARG 11 HD3 ARG 11 -9.360 -11.708 -4.542 393 HE ARG 11 HE ARG 11 -10.059 -9.978 -6.095 394 HH11 ARG 11 HH11 ARG 11 -6.609 -10.491 -5.780 395 HH12 ARG 11 HH12 ARG 11 -6.245 -9.867 -7.362 396 HH21 ARG 11 HH21 ARG 11 -9.578 -9.168 -8.181 397 HH22 ARG 11 HH22 ARG 11 -7.930 -9.111 -8.720 398 H LYS 12 H LYS 12 -11.701 -6.570 -2.900 399 HA LYS 12 HA LYS 12 -9.308 -5.167 -3.090 400 HB2 LYS 12 HB2 LYS 12 -11.388 -4.455 -4.178 401 HB3 LYS 12 HB3 LYS 12 -12.097 -4.097 -2.615 402 HG2 LYS 12 HG2 LYS 12 -11.458 -2.031 -3.526 403 HG3 LYS 12 HG3 LYS 12 -10.255 -2.405 -2.294 404 HD2 LYS 12 HD2 LYS 12 -9.815 -3.066 -5.194 405 HD3 LYS 12 HD3 LYS 12 -9.423 -1.480 -4.534 406 HE2 LYS 12 HE2 LYS 12 -7.937 -2.560 -2.890 407 HE3 LYS 12 HE3 LYS 12 -8.302 -4.125 -3.615 408 HZ1 LYS 12 HZ1 LYS 12 -7.324 -3.366 -5.685 409 HZ2 LYS 12 HZ2 LYS 12 -6.207 -3.218 -4.417 410 HZ3 LYS 12 HZ3 LYS 12 -7.003 -1.844 -5.006 411 H ILE 13 H ILE 13 -11.795 -4.917 -0.515 412 HA ILE 13 HA ILE 13 -10.251 -3.132 1.022 413 HB ILE 13 HB ILE 13 -11.849 -3.556 2.850 414 HG12 ILE 13 HG12 ILE 13 -13.086 -5.576 0.961 415 HG13 ILE 13 HG13 ILE 13 -12.197 -5.977 2.426 416 HG21 ILE 13 HG21 ILE 13 -12.383 -1.914 1.153 417 HG22 ILE 13 HG22 ILE 13 -13.851 -2.743 1.670 418 HG23 ILE 13 HG23 ILE 13 -13.098 -3.163 0.132 419 HD11 ILE 13 HD11 ILE 13 -13.879 -4.858 3.767 420 HD12 ILE 13 HD12 ILE 13 -14.606 -6.104 2.755 421 HD13 ILE 13 HD13 ILE 13 -14.758 -4.405 2.308 422 H ARG 14 H ARG 14 -10.513 -6.637 0.978 423 HA ARG 14 HA ARG 14 -9.183 -7.028 3.444 424 HB2 ARG 14 HB2 ARG 14 -9.657 -8.874 1.102 425 HB3 ARG 14 HB3 ARG 14 -8.894 -9.384 2.605 426 HG2 ARG 14 HG2 ARG 14 -10.937 -8.674 3.822 427 HG3 ARG 14 HG3 ARG 14 -11.695 -8.331 2.265 428 HD2 ARG 14 HD2 ARG 14 -12.322 -10.537 3.137 429 HD3 ARG 14 HD3 ARG 14 -11.458 -10.650 1.605 430 HE ARG 14 HE ARG 14 -9.641 -11.599 2.703 431 HH11 ARG 14 HH11 ARG 14 -12.179 -10.718 4.963 432 HH12 ARG 14 HH12 ARG 14 -11.484 -11.617 6.277 433 HH21 ARG 14 HH21 ARG 14 -8.730 -12.762 4.438 434 HH22 ARG 14 HH22 ARG 14 -9.524 -12.769 5.989 435 H SER 15 H SER 15 -8.120 -6.916 0.067 436 HA SER 15 HA SER 15 -5.450 -7.607 0.516 437 HB2 SER 15 HB2 SER 15 -6.627 -5.795 -1.611 438 HB3 SER 15 HB3 SER 15 -4.998 -6.471 -1.644 439 HG SER 15 HG SER 15 -7.480 -7.766 -1.940 440 H LEU 16 H LEU 16 -7.136 -4.499 0.582 441 HA LEU 16 HA LEU 16 -4.973 -2.823 1.012 442 HB2 LEU 16 HB2 LEU 16 -7.774 -2.634 2.129 443 HB3 LEU 16 HB3 LEU 16 -6.606 -1.326 2.133 444 HG LEU 16 HG LEU 16 -7.649 -2.633 -0.382 445 HD11 LEU 16 HD11 LEU 16 -8.505 -0.047 0.911 446 HD12 LEU 16 HD12 LEU 16 -9.466 -1.523 0.810 447 HD13 LEU 16 HD13 LEU 16 -9.034 -0.650 -0.660 448 HD21 LEU 16 HD21 LEU 16 -6.100 -0.084 0.072 449 HD22 LEU 16 HD22 LEU 16 -6.712 -0.661 -1.479 450 HD23 LEU 16 HD23 LEU 16 -5.467 -1.573 -0.629 451 H GLN 17 H GLN 17 -6.997 -4.538 3.375 452 HA GLN 17 HA GLN 17 -5.804 -3.697 5.714 453 HB2 GLN 17 HB2 GLN 17 -6.947 -6.421 5.063 454 HB3 GLN 17 HB3 GLN 17 -6.613 -5.832 6.685 455 HG2 GLN 17 HG2 GLN 17 -8.281 -4.132 6.483 456 HG3 GLN 17 HG3 GLN 17 -8.523 -4.508 4.776 457 HE21 GLN 17 HE21 GLN 17 -10.697 -4.926 5.061 458 HE22 GLN 17 HE22 GLN 17 -11.275 -6.358 5.844 459 H GLU 18 H GLU 18 -5.003 -6.552 3.750 460 HA GLU 18 HA GLU 18 -2.884 -7.438 5.378 461 HB2 GLU 18 HB2 GLU 18 -4.267 -8.555 3.368 462 HB3 GLU 18 HB3 GLU 18 -2.856 -8.039 2.463 463 HG2 GLU 18 HG2 GLU 18 -2.853 -9.851 4.866 464 HG3 GLU 18 HG3 GLU 18 -2.656 -10.349 3.190 465 H GLN 19 H GLN 19 -2.823 -5.834 2.191 466 HA GLN 19 HA GLN 19 -0.064 -5.709 1.977 467 HB2 GLN 19 HB2 GLN 19 -2.334 -4.367 0.619 468 HB3 GLN 19 HB3 GLN 19 -0.745 -3.646 0.422 469 HG2 GLN 19 HG2 GLN 19 -1.223 -5.158 -1.399 470 HG3 GLN 19 HG3 GLN 19 0.120 -5.763 -0.431 471 HE21 GLN 19 HE21 GLN 19 -0.171 -7.614 0.818 472 HE22 GLN 19 HE22 GLN 19 -1.508 -8.685 0.583 473 H ASN 20 H ASN 20 -2.307 -3.371 3.413 474 HA ASN 20 HA ASN 20 -0.394 -1.296 3.607 475 HB2 ASN 20 HB2 ASN 20 -2.999 -1.789 5.037 476 HB3 ASN 20 HB3 ASN 20 -1.972 -0.416 5.434 477 HD21 ASN 20 HD21 ASN 20 -2.267 -1.710 2.200 478 HD22 ASN 20 HD22 ASN 20 -3.115 -0.364 1.527 479 H TYR 21 H TYR 21 -1.580 -3.632 6.022 480 HA TYR 21 HA TYR 21 0.197 -2.925 8.070 481 HB2 TYR 21 HB2 TYR 21 -1.731 -4.318 8.533 482 HB3 TYR 21 HB3 TYR 21 -1.160 -5.556 7.423 483 HD1 TYR 21 HD1 TYR 21 -0.461 -3.917 10.677 484 HD2 TYR 21 HD2 TYR 21 0.322 -7.248 8.151 485 HE1 TYR 21 HE1 TYR 21 0.668 -5.059 12.540 486 HE2 TYR 21 HE2 TYR 21 1.451 -8.395 10.005 487 HH TYR 21 HH TYR 21 2.540 -7.900 12.093 488 H HIS 22 H HIS 22 0.396 -5.197 5.417 489 HA HIS 22 HA HIS 22 2.766 -6.507 5.991 490 HB2 HIS 22 HB2 HIS 22 0.976 -6.855 4.127 491 HB3 HIS 22 HB3 HIS 22 1.964 -5.738 3.196 492 HD1 HIS 22 HD1 HIS 22 1.405 -9.144 3.429 493 HD2 HIS 22 HD2 HIS 22 4.879 -6.853 3.356 494 HE1 HIS 22 HE1 HIS 22 3.234 -10.701 2.678 495 HE2 HIS 22 HE2 HIS 22 5.244 -9.215 2.366 496 H LEU 23 H LEU 23 2.292 -3.689 3.845 497 HA LEU 23 HA LEU 23 5.070 -3.390 3.373 498 HB2 LEU 23 HB2 LEU 23 2.797 -1.474 2.857 499 HB3 LEU 23 HB3 LEU 23 4.425 -1.302 2.233 500 HG LEU 23 HG LEU 23 2.486 -3.513 1.548 501 HD11 LEU 23 HD11 LEU 23 3.562 -1.234 -0.108 502 HD12 LEU 23 HD12 LEU 23 1.924 -1.365 0.532 503 HD13 LEU 23 HD13 LEU 23 2.494 -2.517 -0.675 504 HD21 LEU 23 HD21 LEU 23 4.175 -4.229 -0.067 505 HD22 LEU 23 HD22 LEU 23 4.782 -4.331 1.586 506 HD23 LEU 23 HD23 LEU 23 5.282 -2.999 0.543 507 H GLU 24 H GLU 24 2.817 -1.996 5.656 508 HA GLU 24 HA GLU 24 4.303 0.218 6.476 509 HB2 GLU 24 HB2 GLU 24 1.936 -0.227 7.092 510 HB3 GLU 24 HB3 GLU 24 2.481 -1.516 8.155 511 HG2 GLU 24 HG2 GLU 24 3.640 0.058 9.557 512 HG3 GLU 24 HG3 GLU 24 3.265 1.373 8.442 513 H ASN 25 H ASN 25 4.242 -3.112 7.722 514 HA ASN 25 HA ASN 25 6.297 -2.678 9.623 515 HB2 ASN 25 HB2 ASN 25 5.066 -5.148 8.422 516 HB3 ASN 25 HB3 ASN 25 6.463 -5.256 9.490 517 HD21 ASN 25 HD21 ASN 25 3.094 -4.389 9.257 518 HD22 ASN 25 HD22 ASN 25 2.787 -4.364 10.962 519 H GLU 26 H GLU 26 6.194 -3.816 6.310 520 HA GLU 26 HA GLU 26 8.760 -4.740 5.952 521 HB2 GLU 26 HB2 GLU 26 6.965 -4.906 4.281 522 HB3 GLU 26 HB3 GLU 26 7.043 -3.173 4.019 523 HG2 GLU 26 HG2 GLU 26 8.169 -4.274 2.231 524 HG3 GLU 26 HG3 GLU 26 9.364 -3.440 3.224 525 H VAL 27 H VAL 27 7.600 -1.419 5.278 526 HA VAL 27 HA VAL 27 10.152 -0.424 4.666 527 HB VAL 27 HB VAL 27 8.112 0.695 3.900 528 HG11 VAL 27 HG11 VAL 27 7.720 1.497 6.779 529 HG12 VAL 27 HG12 VAL 27 6.706 0.388 5.857 530 HG13 VAL 27 HG13 VAL 27 6.786 2.090 5.405 531 HG21 VAL 27 HG21 VAL 27 9.834 2.445 5.646 532 HG22 VAL 27 HG22 VAL 27 8.784 3.007 4.345 533 HG23 VAL 27 HG23 VAL 27 10.168 1.976 3.979 534 H ALA 28 H ALA 28 8.358 -0.654 7.676 535 HA ALA 28 HA ALA 28 9.901 1.069 9.238 536 HB1 ALA 28 HB1 ALA 28 8.977 -0.116 11.155 537 HB2 ALA 28 HB2 ALA 28 8.433 -1.422 10.102 538 HB3 ALA 28 HB3 ALA 28 7.727 0.186 9.946 539 H ARG 29 H ARG 29 10.191 -2.422 8.656 540 HA ARG 29 HA ARG 29 12.345 -2.855 10.395 541 HB2 ARG 29 HB2 ARG 29 11.651 -4.373 7.872 542 HB3 ARG 29 HB3 ARG 29 12.660 -4.953 9.189 543 HG2 ARG 29 HG2 ARG 29 9.747 -4.243 9.458 544 HG3 ARG 29 HG3 ARG 29 10.369 -5.876 9.213 545 HD2 ARG 29 HD2 ARG 29 11.259 -4.144 11.502 546 HD3 ARG 29 HD3 ARG 29 9.832 -5.175 11.605 547 HE ARG 29 HE ARG 29 11.841 -6.830 10.730 548 HH11 ARG 29 HH11 ARG 29 11.394 -4.726 13.507 549 HH12 ARG 29 HH12 ARG 29 12.270 -5.769 14.588 550 HH21 ARG 29 HH21 ARG 29 13.006 -8.188 12.163 551 HH22 ARG 29 HH22 ARG 29 13.203 -7.715 13.825 552 H LEU 30 H LEU 30 12.158 -1.837 7.045 553 HA LEU 30 HA LEU 30 14.896 -2.222 6.450 554 HB2 LEU 30 HB2 LEU 30 13.116 -2.164 4.746 555 HB3 LEU 30 HB3 LEU 30 12.857 -0.465 5.086 556 HG LEU 30 HG LEU 30 15.126 0.044 4.298 557 HD11 LEU 30 HD11 LEU 30 16.446 -1.677 3.170 558 HD12 LEU 30 HD12 LEU 30 15.252 -2.894 3.621 559 HD13 LEU 30 HD13 LEU 30 16.193 -2.078 4.870 560 HD21 LEU 30 HD21 LEU 30 13.479 -1.565 2.353 561 HD22 LEU 30 HD22 LEU 30 14.739 -0.408 1.925 562 HD23 LEU 30 HD23 LEU 30 13.270 0.145 2.729 563 H LYS 31 H LYS 31 12.974 0.638 7.391 564 HA LYS 31 HA LYS 31 15.198 2.384 7.144 565 HB2 LYS 31 HB2 LYS 31 13.770 4.040 8.337 566 HB3 LYS 31 HB3 LYS 31 13.023 3.350 6.909 567 HG2 LYS 31 HG2 LYS 31 11.254 3.229 8.294 568 HG3 LYS 31 HG3 LYS 31 12.010 1.697 8.730 569 HD2 LYS 31 HD2 LYS 31 13.036 2.704 10.667 570 HD3 LYS 31 HD3 LYS 31 12.446 4.299 10.192 571 HE2 LYS 31 HE2 LYS 31 10.121 3.400 10.370 572 HE3 LYS 31 HE3 LYS 31 10.801 1.917 11.032 573 HZ1 LYS 31 HZ1 LYS 31 11.101 4.618 12.229 574 HZ2 LYS 31 HZ2 LYS 31 11.690 3.171 12.877 575 HZ3 LYS 31 HZ3 LYS 31 10.020 3.426 12.755 576 H LYS 32 H LYS 32 13.946 0.373 9.692 577 HA LYS 32 HA LYS 32 15.546 1.508 11.766 578 HB2 LYS 32 HB2 LYS 32 13.602 0.195 12.347 579 HB3 LYS 32 HB3 LYS 32 14.228 -1.200 11.480 580 HG2 LYS 32 HG2 LYS 32 14.513 -1.547 13.830 581 HG3 LYS 32 HG3 LYS 32 16.097 -1.316 13.094 582 HD2 LYS 32 HD2 LYS 32 15.886 1.126 13.778 583 HD3 LYS 32 HD3 LYS 32 14.522 0.617 14.776 584 HE2 LYS 32 HE2 LYS 32 17.367 -0.373 14.966 585 HE3 LYS 32 HE3 LYS 32 16.543 0.682 16.112 586 HZ1 LYS 32 HZ1 LYS 32 16.638 -1.631 16.858 587 HZ2 LYS 32 HZ2 LYS 32 15.746 -2.117 15.502 588 HZ3 LYS 32 HZ3 LYS 32 15.042 -1.099 16.665 589 H LEU 33 H LEU 33 16.097 -0.721 9.194 590 HA LEU 33 HA LEU 33 18.229 -2.215 10.273 591 HB2 LEU 33 HB2 LEU 33 16.733 -2.634 8.194 592 HB3 LEU 33 HB3 LEU 33 17.886 -1.633 7.344 593 HG LEU 33 HG LEU 33 18.239 -4.087 7.068 594 HD11 LEU 33 HD11 LEU 33 20.492 -2.578 8.376 595 HD12 LEU 33 HD12 LEU 33 20.077 -2.561 6.662 596 HD13 LEU 33 HD13 LEU 33 20.665 -4.046 7.413 597 HD21 LEU 33 HD21 LEU 33 18.964 -3.941 9.981 598 HD22 LEU 33 HD22 LEU 33 19.269 -5.318 8.925 599 HD23 LEU 33 HD23 LEU 33 17.612 -4.824 9.275 600 H VAL 34 H VAL 34 18.163 0.764 8.337 601 HA VAL 34 HA VAL 34 20.929 0.826 7.798 602 HB VAL 34 HB VAL 34 19.317 2.090 6.460 603 HG11 VAL 34 HG11 VAL 34 18.379 4.194 7.248 604 HG12 VAL 34 HG12 VAL 34 19.072 3.910 8.845 605 HG13 VAL 34 HG13 VAL 34 17.819 2.836 8.226 606 HG21 VAL 34 HG21 VAL 34 21.426 3.789 7.768 607 HG22 VAL 34 HG22 VAL 34 20.600 4.181 6.261 608 HG23 VAL 34 HG23 VAL 34 21.626 2.751 6.356 609 H GLY 35 H GLY 35 19.036 2.200 10.451 610 HA2 GLY 35 HA2 GLY 35 21.391 3.449 11.607 611 HA3 GLY 35 HA3 GLY 35 19.771 3.443 12.289 612 H GLU 36 H GLU 36 19.035 1.086 12.770 613 HA GLU 36 HA GLU 36 19.137 -0.665 14.170 614 HB2 GLU 36 HB2 GLU 36 20.642 -1.524 12.390 615 HB3 GLU 36 HB3 GLU 36 22.016 -0.901 13.295 616 HG2 GLU 36 HG2 GLU 36 21.704 -3.294 13.645 617 HG3 GLU 36 HG3 GLU 36 21.506 -2.384 15.142 618 H ARG 37 H ARG 37 18.895 0.975 15.858 619 HA ARG 37 HA ARG 37 20.945 0.451 17.877 620 HB2 ARG 37 HB2 ARG 37 19.639 3.134 17.375 621 HB3 ARG 37 HB3 ARG 37 20.531 2.736 18.835 622 HG2 ARG 37 HG2 ARG 37 22.534 2.323 17.461 623 HG3 ARG 37 HG3 ARG 37 21.626 2.834 16.037 624 HD2 ARG 37 HD2 ARG 37 21.258 5.024 17.085 625 HD3 ARG 37 HD3 ARG 37 22.209 4.505 18.477 626 HE ARG 37 HE ARG 37 24.001 4.133 16.603 627 HH11 ARG 37 HH11 ARG 37 21.728 6.772 16.930 628 HH12 ARG 37 HH12 ARG 37 22.744 7.924 16.114 629 HH21 ARG 37 HH21 ARG 37 25.335 5.625 15.517 630 HH22 ARG 37 HH22 ARG 37 24.797 7.261 15.286 Start of MODEL 5 1 HA2 GLY 0 HA2 GLY 0 -27.296 10.718 7.410 2 HA3 GLY 0 HA3 GLY 0 -25.723 11.021 6.685 3 H ALA 1 H ALA 1 -27.635 10.019 5.084 4 HA ALA 1 HA ALA 1 -26.710 7.263 4.654 5 HB1 ALA 1 HB1 ALA 1 -29.582 8.164 4.463 6 HB2 ALA 1 HB2 ALA 1 -28.905 7.119 5.713 7 HB3 ALA 1 HB3 ALA 1 -28.969 6.566 4.039 8 H GLY 2 H GLY 2 -25.986 6.972 2.654 9 HA2 GLY 2 HA2 GLY 2 -25.957 7.115 0.327 10 HA3 GLY 2 HA3 GLY 2 -27.249 8.305 0.404 11 H SER 3 H SER 3 -26.648 10.495 1.142 12 HA SER 3 HA SER 3 -24.590 11.579 -0.380 13 HB2 SER 3 HB2 SER 3 -25.755 12.793 2.137 14 HB3 SER 3 HB3 SER 3 -25.034 13.652 0.775 15 HG SER 3 HG SER 3 -26.803 13.364 -0.387 16 H SER 4 H SER 4 -24.672 11.033 3.131 17 HA SER 4 HA SER 4 -21.975 11.770 3.560 18 HB2 SER 4 HB2 SER 4 -23.623 9.944 5.311 19 HB3 SER 4 HB3 SER 4 -22.325 11.034 5.799 20 HG SER 4 HG SER 4 -23.801 12.741 4.898 21 H SER 5 H SER 5 -23.621 8.669 3.171 22 HA SER 5 HA SER 5 -21.592 6.934 3.867 23 HB2 SER 5 HB2 SER 5 -23.606 6.446 1.671 24 HB3 SER 5 HB3 SER 5 -22.854 5.248 2.725 25 HG SER 5 HG SER 5 -24.014 6.032 4.444 26 H LEU 6 H LEU 6 -22.355 8.202 0.626 27 HA LEU 6 HA LEU 6 -20.385 6.687 -0.706 28 HB2 LEU 6 HB2 LEU 6 -21.741 9.256 -1.519 29 HB3 LEU 6 HB3 LEU 6 -20.755 8.271 -2.582 30 HG LEU 6 HG LEU 6 -23.332 7.390 -1.279 31 HD11 LEU 6 HD11 LEU 6 -22.726 8.143 -4.132 32 HD12 LEU 6 HD12 LEU 6 -23.713 9.061 -2.997 33 HD13 LEU 6 HD13 LEU 6 -24.248 7.473 -3.543 34 HD21 LEU 6 HD21 LEU 6 -23.139 5.439 -2.750 35 HD22 LEU 6 HD22 LEU 6 -21.804 5.534 -1.603 36 HD23 LEU 6 HD23 LEU 6 -21.554 6.006 -3.284 37 H GLU 7 H GLU 7 -20.352 10.043 0.496 38 HA GLU 7 HA GLU 7 -17.744 10.563 -0.533 39 HB2 GLU 7 HB2 GLU 7 -19.277 12.025 1.621 40 HB3 GLU 7 HB3 GLU 7 -17.823 12.612 0.828 41 HG2 GLU 7 HG2 GLU 7 -20.519 12.152 -0.414 42 HG3 GLU 7 HG3 GLU 7 -19.719 13.695 -0.134 43 H ALA 8 H ALA 8 -18.992 9.326 2.493 44 HA ALA 8 HA ALA 8 -16.679 9.546 4.067 45 HB1 ALA 8 HB1 ALA 8 -17.638 7.720 5.405 46 HB2 ALA 8 HB2 ALA 8 -18.824 7.427 4.133 47 HB3 ALA 8 HB3 ALA 8 -18.837 8.953 5.017 48 H VAL 9 H VAL 9 -17.846 6.776 2.157 49 HA VAL 9 HA VAL 9 -15.521 5.211 2.479 50 HB VAL 9 HB VAL 9 -17.516 5.150 0.205 51 HG11 VAL 9 HG11 VAL 9 -15.572 3.049 1.152 52 HG12 VAL 9 HG12 VAL 9 -15.476 3.956 -0.358 53 HG13 VAL 9 HG13 VAL 9 -16.801 2.822 -0.093 54 HG21 VAL 9 HG21 VAL 9 -18.629 3.378 1.466 55 HG22 VAL 9 HG22 VAL 9 -18.599 4.887 2.377 56 HG23 VAL 9 HG23 VAL 9 -17.478 3.590 2.785 57 H ARG 10 H ARG 10 -16.490 7.608 0.105 58 HA ARG 10 HA ARG 10 -14.491 7.295 -1.806 59 HB2 ARG 10 HB2 ARG 10 -16.580 8.786 -1.801 60 HB3 ARG 10 HB3 ARG 10 -15.593 9.959 -0.946 61 HG2 ARG 10 HG2 ARG 10 -14.000 9.916 -2.852 62 HG3 ARG 10 HG3 ARG 10 -15.143 8.878 -3.713 63 HD2 ARG 10 HD2 ARG 10 -16.790 10.856 -2.924 64 HD3 ARG 10 HD3 ARG 10 -15.285 11.755 -3.095 65 HE ARG 10 HE ARG 10 -15.478 10.305 -5.400 66 HH11 ARG 10 HH11 ARG 10 -17.537 12.589 -3.727 67 HH12 ARG 10 HH12 ARG 10 -18.297 13.158 -5.185 68 HH21 ARG 10 HH21 ARG 10 -16.494 11.030 -7.322 69 HH22 ARG 10 HH22 ARG 10 -17.700 12.286 -7.224 70 H ARG 11 H ARG 11 -14.557 9.459 1.021 71 HA ARG 11 HA ARG 11 -11.925 10.441 0.658 72 HB2 ARG 11 HB2 ARG 11 -13.566 11.686 1.944 73 HB3 ARG 11 HB3 ARG 11 -13.698 10.375 3.109 74 HG2 ARG 11 HG2 ARG 11 -11.497 10.772 3.921 75 HG3 ARG 11 HG3 ARG 11 -11.156 11.905 2.612 76 HD2 ARG 11 HD2 ARG 11 -11.659 13.013 4.773 77 HD3 ARG 11 HD3 ARG 11 -12.758 13.473 3.475 78 HE ARG 11 HE ARG 11 -13.530 11.396 5.407 79 HH11 ARG 11 HH11 ARG 11 -14.028 14.539 3.953 80 HH12 ARG 11 HH12 ARG 11 -15.624 14.746 4.617 81 HH21 ARG 11 HH21 ARG 11 -15.631 11.662 6.302 82 HH22 ARG 11 HH22 ARG 11 -16.525 13.114 5.975 83 H LYS 12 H LYS 12 -13.272 7.731 2.443 84 HA LYS 12 HA LYS 12 -10.984 7.031 3.910 85 HB2 LYS 12 HB2 LYS 12 -13.140 6.065 4.442 86 HB3 LYS 12 HB3 LYS 12 -13.237 5.312 2.857 87 HG2 LYS 12 HG2 LYS 12 -12.663 3.647 4.476 88 HG3 LYS 12 HG3 LYS 12 -11.268 3.930 3.436 89 HD2 LYS 12 HD2 LYS 12 -10.458 3.777 5.663 90 HD3 LYS 12 HD3 LYS 12 -10.395 5.481 5.211 91 HE2 LYS 12 HE2 LYS 12 -12.414 5.931 6.444 92 HE3 LYS 12 HE3 LYS 12 -12.633 4.215 6.786 93 HZ1 LYS 12 HZ1 LYS 12 -10.482 5.981 7.810 94 HZ2 LYS 12 HZ2 LYS 12 -10.486 4.299 8.001 95 HZ3 LYS 12 HZ3 LYS 12 -11.714 5.232 8.704 96 H ILE 13 H ILE 13 -12.156 5.722 0.784 97 HA ILE 13 HA ILE 13 -9.881 4.080 0.420 98 HB ILE 13 HB ILE 13 -10.597 3.812 -1.913 99 HG12 ILE 13 HG12 ILE 13 -12.770 5.809 -1.227 100 HG13 ILE 13 HG13 ILE 13 -11.402 6.123 -2.291 101 HG21 ILE 13 HG21 ILE 13 -12.823 3.638 0.112 102 HG22 ILE 13 HG22 ILE 13 -11.582 2.421 -0.189 103 HG23 ILE 13 HG23 ILE 13 -12.780 2.787 -1.433 104 HD11 ILE 13 HD11 ILE 13 -13.565 4.087 -2.755 105 HD12 ILE 13 HD12 ILE 13 -12.209 4.416 -3.833 106 HD13 ILE 13 HD13 ILE 13 -13.430 5.657 -3.545 107 H ARG 14 H ARG 14 -10.591 7.398 -0.534 108 HA ARG 14 HA ARG 14 -8.384 7.783 -2.232 109 HB2 ARG 14 HB2 ARG 14 -10.145 9.445 -2.135 110 HB3 ARG 14 HB3 ARG 14 -9.815 9.756 -0.435 111 HG2 ARG 14 HG2 ARG 14 -8.892 11.529 -1.781 112 HG3 ARG 14 HG3 ARG 14 -7.583 10.604 -1.045 113 HD2 ARG 14 HD2 ARG 14 -7.629 9.273 -3.285 114 HD3 ARG 14 HD3 ARG 14 -8.473 10.691 -3.901 115 HE ARG 14 HE ARG 14 -5.874 10.998 -2.571 116 HH11 ARG 14 HH11 ARG 14 -7.907 11.382 -5.397 117 HH12 ARG 14 HH12 ARG 14 -6.689 12.228 -6.310 118 HH21 ARG 14 HH21 ARG 14 -4.259 12.060 -3.765 119 HH22 ARG 14 HH22 ARG 14 -4.607 12.595 -5.385 120 H SER 15 H SER 15 -8.731 8.143 1.275 121 HA SER 15 HA SER 15 -6.101 9.049 1.746 122 HB2 SER 15 HB2 SER 15 -7.934 7.529 3.615 123 HB3 SER 15 HB3 SER 15 -6.534 8.491 4.088 124 HG SER 15 HG SER 15 -9.001 9.358 3.007 125 H LEU 16 H LEU 16 -7.556 5.822 1.680 126 HA LEU 16 HA LEU 16 -5.273 4.379 2.474 127 HB2 LEU 16 HB2 LEU 16 -7.576 3.550 0.705 128 HB3 LEU 16 HB3 LEU 16 -6.379 2.447 1.357 129 HG LEU 16 HG LEU 16 -8.330 4.085 2.976 130 HD11 LEU 16 HD11 LEU 16 -8.219 1.122 2.425 131 HD12 LEU 16 HD12 LEU 16 -9.391 2.256 1.757 132 HD13 LEU 16 HD13 LEU 16 -9.362 1.938 3.492 133 HD21 LEU 16 HD21 LEU 16 -6.268 3.790 4.192 134 HD22 LEU 16 HD22 LEU 16 -6.251 2.067 3.815 135 HD23 LEU 16 HD23 LEU 16 -7.502 2.728 4.869 136 H GLN 17 H GLN 17 -6.454 5.329 -0.741 137 HA GLN 17 HA GLN 17 -4.403 4.069 -2.212 138 HB2 GLN 17 HB2 GLN 17 -6.150 6.446 -2.857 139 HB3 GLN 17 HB3 GLN 17 -5.024 5.738 -4.009 140 HG2 GLN 17 HG2 GLN 17 -6.212 3.624 -3.900 141 HG3 GLN 17 HG3 GLN 17 -7.311 4.287 -2.693 142 HE21 GLN 17 HE21 GLN 17 -9.094 3.886 -3.986 143 HE22 GLN 17 HE22 GLN 17 -9.451 4.815 -5.401 144 H GLU 18 H GLU 18 -4.715 7.368 -0.957 145 HA GLU 18 HA GLU 18 -2.328 8.422 -1.970 146 HB2 GLU 18 HB2 GLU 18 -4.296 9.591 -0.769 147 HB3 GLU 18 HB3 GLU 18 -3.463 9.167 0.718 148 HG2 GLU 18 HG2 GLU 18 -2.872 11.398 0.165 149 HG3 GLU 18 HG3 GLU 18 -1.464 10.381 -0.143 150 H GLN 19 H GLN 19 -3.031 6.834 1.125 151 HA GLN 19 HA GLN 19 -0.477 6.890 2.238 152 HB2 GLN 19 HB2 GLN 19 -2.541 6.180 3.427 153 HB3 GLN 19 HB3 GLN 19 -2.542 4.691 2.493 154 HG2 GLN 19 HG2 GLN 19 -0.200 4.316 3.459 155 HG3 GLN 19 HG3 GLN 19 -0.627 5.576 4.616 156 HE21 GLN 19 HE21 GLN 19 -2.265 5.176 6.128 157 HE22 GLN 19 HE22 GLN 19 -2.820 3.574 6.462 158 H ASN 20 H ASN 20 -2.006 4.443 0.173 159 HA ASN 20 HA ASN 20 0.047 2.577 0.079 160 HB2 ASN 20 HB2 ASN 20 -2.272 3.246 -1.632 161 HB3 ASN 20 HB3 ASN 20 -0.988 2.339 -2.419 162 HD21 ASN 20 HD21 ASN 20 -3.369 2.319 0.126 163 HD22 ASN 20 HD22 ASN 20 -3.352 0.608 0.389 164 H TYR 21 H TYR 21 -0.513 5.350 -2.083 165 HA TYR 21 HA TYR 21 1.660 4.927 -3.792 166 HB2 TYR 21 HB2 TYR 21 0.445 7.558 -2.916 167 HB3 TYR 21 HB3 TYR 21 1.538 7.358 -4.279 168 HD1 TYR 21 HD1 TYR 21 0.426 4.836 -5.458 169 HD2 TYR 21 HD2 TYR 21 -1.516 8.303 -3.928 170 HE1 TYR 21 HE1 TYR 21 -1.502 4.401 -6.923 171 HE2 TYR 21 HE2 TYR 21 -3.445 7.875 -5.391 172 HH TYR 21 HH TYR 21 -3.910 6.705 -7.518 173 H HIS 22 H HIS 22 1.448 6.760 -0.764 174 HA HIS 22 HA HIS 22 4.148 7.654 -0.897 175 HB2 HIS 22 HB2 HIS 22 2.204 8.702 0.424 176 HB3 HIS 22 HB3 HIS 22 2.555 7.487 1.648 177 HD1 HIS 22 HD1 HIS 22 4.453 7.965 3.231 178 HD2 HIS 22 HD2 HIS 22 4.387 10.524 -0.050 179 HE1 HIS 22 HE1 HIS 22 6.191 9.724 3.701 180 HE2 HIS 22 HE2 HIS 22 6.093 11.298 1.725 181 H LEU 23 H LEU 23 2.568 4.861 0.546 182 HA LEU 23 HA LEU 23 4.789 4.020 2.103 183 HB2 LEU 23 HB2 LEU 23 2.455 2.494 0.958 184 HB3 LEU 23 HB3 LEU 23 3.663 1.760 1.992 185 HG LEU 23 HG LEU 23 1.809 4.008 2.769 186 HD11 LEU 23 HD11 LEU 23 0.666 1.874 2.550 187 HD12 LEU 23 HD12 LEU 23 0.804 2.335 4.248 188 HD13 LEU 23 HD13 LEU 23 1.875 1.104 3.577 189 HD21 LEU 23 HD21 LEU 23 3.864 2.508 4.392 190 HD22 LEU 23 HD22 LEU 23 2.712 3.684 5.027 191 HD23 LEU 23 HD23 LEU 23 3.962 4.196 3.892 192 H GLU 24 H GLU 24 3.732 3.325 -1.190 193 HA GLU 24 HA GLU 24 5.696 1.388 -1.775 194 HB2 GLU 24 HB2 GLU 24 4.141 3.252 -3.571 195 HB3 GLU 24 HB3 GLU 24 5.210 1.992 -4.176 196 HG2 GLU 24 HG2 GLU 24 3.858 0.299 -3.059 197 HG3 GLU 24 HG3 GLU 24 2.792 1.556 -2.434 198 H ASN 25 H ASN 25 5.647 4.919 -2.302 199 HA ASN 25 HA ASN 25 8.295 4.859 -3.401 200 HB2 ASN 25 HB2 ASN 25 8.186 7.253 -3.533 201 HB3 ASN 25 HB3 ASN 25 6.645 6.598 -4.052 202 HD21 ASN 25 HD21 ASN 25 5.356 8.263 -3.654 203 HD22 ASN 25 HD22 ASN 25 5.100 8.973 -2.104 204 H GLU 26 H GLU 26 6.996 4.950 -0.240 205 HA GLU 26 HA GLU 26 9.168 6.138 1.125 206 HB2 GLU 26 HB2 GLU 26 6.867 5.631 2.066 207 HB3 GLU 26 HB3 GLU 26 7.374 3.955 2.193 208 HG2 GLU 26 HG2 GLU 26 7.695 4.860 4.322 209 HG3 GLU 26 HG3 GLU 26 9.304 4.797 3.603 210 H VAL 27 H VAL 27 8.308 2.696 0.679 211 HA VAL 27 HA VAL 27 10.756 1.719 1.695 212 HB VAL 27 HB VAL 27 8.745 0.310 1.569 213 HG11 VAL 27 HG11 VAL 27 9.209 0.285 -1.408 214 HG12 VAL 27 HG12 VAL 27 7.860 1.049 -0.570 215 HG13 VAL 27 HG13 VAL 27 8.039 -0.705 -0.533 216 HG21 VAL 27 HG21 VAL 27 11.087 -0.788 0.021 217 HG22 VAL 27 HG22 VAL 27 9.827 -1.747 0.800 218 HG23 VAL 27 HG23 VAL 27 10.911 -0.755 1.776 219 H ALA 28 H ALA 28 9.706 2.667 -1.529 220 HA ALA 28 HA ALA 28 11.925 1.737 -2.981 221 HB1 ALA 28 HB1 ALA 28 9.879 2.574 -4.044 222 HB2 ALA 28 HB2 ALA 28 11.318 3.386 -4.665 223 HB3 ALA 28 HB3 ALA 28 10.274 4.207 -3.505 224 H ARG 29 H ARG 29 11.373 4.795 -1.271 225 HA ARG 29 HA ARG 29 13.764 6.094 -1.913 226 HB2 ARG 29 HB2 ARG 29 11.670 6.360 0.111 227 HB3 ARG 29 HB3 ARG 29 13.250 6.842 0.706 228 HG2 ARG 29 HG2 ARG 29 11.948 8.714 -0.197 229 HG3 ARG 29 HG3 ARG 29 13.470 8.470 -1.055 230 HD2 ARG 29 HD2 ARG 29 12.383 7.525 -2.916 231 HD3 ARG 29 HD3 ARG 29 10.873 7.307 -2.027 232 HE ARG 29 HE ARG 29 10.498 9.653 -2.169 233 HH11 ARG 29 HH11 ARG 29 13.289 8.567 -4.010 234 HH12 ARG 29 HH12 ARG 29 13.293 9.960 -5.053 235 HH21 ARG 29 HH21 ARG 29 10.514 11.471 -3.507 236 HH22 ARG 29 HH22 ARG 29 11.718 11.626 -4.756 237 H LEU 30 H LEU 30 12.982 4.058 0.890 238 HA LEU 30 HA LEU 30 15.501 4.228 2.109 239 HB2 LEU 30 HB2 LEU 30 13.180 2.378 2.349 240 HB3 LEU 30 HB3 LEU 30 14.696 1.908 3.092 241 HG LEU 30 HG LEU 30 14.680 4.004 4.411 242 HD11 LEU 30 HD11 LEU 30 12.629 5.336 4.536 243 HD12 LEU 30 HD12 LEU 30 11.945 4.400 3.205 244 HD13 LEU 30 HD13 LEU 30 13.362 5.414 2.933 245 HD21 LEU 30 HD21 LEU 30 12.196 2.319 4.686 246 HD22 LEU 30 HD22 LEU 30 12.891 3.351 5.936 247 HD23 LEU 30 HD23 LEU 30 13.784 1.945 5.356 248 H LYS 31 H LYS 31 14.230 1.797 -0.168 249 HA LYS 31 HA LYS 31 16.587 0.194 0.069 250 HB2 LYS 31 HB2 LYS 31 15.651 -1.253 -1.565 251 HB3 LYS 31 HB3 LYS 31 14.334 -0.722 -0.533 252 HG2 LYS 31 HG2 LYS 31 13.559 0.801 -2.222 253 HG3 LYS 31 HG3 LYS 31 14.955 0.439 -3.241 254 HD2 LYS 31 HD2 LYS 31 14.208 -1.934 -3.310 255 HD3 LYS 31 HD3 LYS 31 12.755 -1.456 -2.433 256 HE2 LYS 31 HE2 LYS 31 12.067 -0.027 -4.237 257 HE3 LYS 31 HE3 LYS 31 13.587 -0.302 -5.090 258 HZ1 LYS 31 HZ1 LYS 31 11.500 -2.342 -4.524 259 HZ2 LYS 31 HZ2 LYS 31 12.982 -2.649 -5.289 260 HZ3 LYS 31 HZ3 LYS 31 11.836 -1.641 -6.032 261 H LYS 32 H LYS 32 15.675 2.877 -1.931 262 HA LYS 32 HA LYS 32 17.757 2.401 -3.872 263 HB2 LYS 32 HB2 LYS 32 15.672 3.642 -4.435 264 HB3 LYS 32 HB3 LYS 32 16.176 4.930 -3.348 265 HG2 LYS 32 HG2 LYS 32 16.656 5.488 -5.672 266 HG3 LYS 32 HG3 LYS 32 18.140 5.342 -4.730 267 HD2 LYS 32 HD2 LYS 32 18.379 3.016 -5.580 268 HD3 LYS 32 HD3 LYS 32 16.983 3.294 -6.619 269 HE2 LYS 32 HE2 LYS 32 19.522 4.913 -6.681 270 HE3 LYS 32 HE3 LYS 32 19.154 3.585 -7.776 271 HZ1 LYS 32 HZ1 LYS 32 17.156 4.858 -8.473 272 HZ2 LYS 32 HZ2 LYS 32 18.625 5.622 -8.854 273 HZ3 LYS 32 HZ3 LYS 32 17.703 6.166 -7.541 274 H LEU 33 H LEU 33 17.381 4.035 -0.849 275 HA LEU 33 HA LEU 33 19.770 5.606 -1.025 276 HB2 LEU 33 HB2 LEU 33 17.637 5.845 0.515 277 HB3 LEU 33 HB3 LEU 33 18.542 4.795 1.582 278 HG LEU 33 HG LEU 33 18.780 7.157 2.189 279 HD11 LEU 33 HD11 LEU 33 21.323 5.927 1.146 280 HD12 LEU 33 HD12 LEU 33 20.601 5.659 2.733 281 HD13 LEU 33 HD13 LEU 33 21.222 7.253 2.304 282 HD21 LEU 33 HD21 LEU 33 18.528 8.098 -0.054 283 HD22 LEU 33 HD22 LEU 33 20.116 7.469 -0.490 284 HD23 LEU 33 HD23 LEU 33 19.969 8.703 0.760 285 H VAL 34 H VAL 34 18.887 2.609 0.711 286 HA VAL 34 HA VAL 34 21.580 2.149 1.590 287 HB VAL 34 HB VAL 34 19.601 1.347 2.863 288 HG11 VAL 34 HG11 VAL 34 19.337 -0.645 0.616 289 HG12 VAL 34 HG12 VAL 34 18.183 0.618 1.044 290 HG13 VAL 34 HG13 VAL 34 18.476 -0.723 2.152 291 HG21 VAL 34 HG21 VAL 34 21.790 0.383 3.268 292 HG22 VAL 34 HG22 VAL 34 21.523 -0.804 1.991 293 HG23 VAL 34 HG23 VAL 34 20.536 -0.841 3.453 294 H GLY 35 H GLY 35 19.671 1.252 -1.171 295 HA2 GLY 35 HA2 GLY 35 21.365 -0.880 -2.053 296 HA3 GLY 35 HA3 GLY 35 20.116 -0.078 -2.998 297 H GLU 36 H GLU 36 21.432 2.545 -2.293 298 HA GLU 36 HA GLU 36 22.882 4.024 -3.207 299 HB2 GLU 36 HB2 GLU 36 24.657 1.601 -3.591 300 HB3 GLU 36 HB3 GLU 36 25.175 3.282 -3.666 301 HG2 GLU 36 HG2 GLU 36 24.599 3.572 -1.314 302 HG3 GLU 36 HG3 GLU 36 24.063 1.895 -1.233 303 H ARG 37 H ARG 37 24.743 3.551 -5.396 304 HA ARG 37 HA ARG 37 22.766 3.200 -7.551 305 HB2 ARG 37 HB2 ARG 37 25.421 4.642 -7.674 306 HB3 ARG 37 HB3 ARG 37 24.176 4.617 -8.917 307 HG2 ARG 37 HG2 ARG 37 22.675 5.863 -7.481 308 HG3 ARG 37 HG3 ARG 37 23.864 5.826 -6.176 309 HD2 ARG 37 HD2 ARG 37 24.081 7.227 -8.832 310 HD3 ARG 37 HD3 ARG 37 24.018 7.960 -7.230 311 HE ARG 37 HE ARG 37 26.315 6.694 -8.503 312 HH11 ARG 37 HH11 ARG 37 24.939 8.032 -5.564 313 HH12 ARG 37 HH12 ARG 37 26.480 8.253 -4.793 314 HH21 ARG 37 HH21 ARG 37 28.335 7.014 -7.509 315 HH22 ARG 37 HH22 ARG 37 28.423 7.704 -5.916 316 HA2 GLY 0 HA2 GLY 0 -25.413 -11.589 0.971 317 HA3 GLY 0 HA3 GLY 0 -27.164 -11.646 0.831 318 H ALA 1 H ALA 1 -28.226 -9.897 0.131 319 HA ALA 1 HA ALA 1 -28.620 -7.843 -0.751 320 HB1 ALA 1 HB1 ALA 1 -26.601 -6.939 1.305 321 HB2 ALA 1 HB2 ALA 1 -28.338 -7.111 1.557 322 HB3 ALA 1 HB3 ALA 1 -27.727 -5.894 0.436 323 H GLY 2 H GLY 2 -26.405 -9.517 -1.826 324 HA2 GLY 2 HA2 GLY 2 -25.548 -8.173 -3.986 325 HA3 GLY 2 HA3 GLY 2 -24.411 -7.637 -2.753 326 H SER 3 H SER 3 -24.131 -9.360 -5.207 327 HA SER 3 HA SER 3 -23.025 -11.739 -3.876 328 HB2 SER 3 HB2 SER 3 -23.249 -12.788 -6.199 329 HB3 SER 3 HB3 SER 3 -24.749 -12.477 -5.320 330 HG SER 3 HG SER 3 -24.724 -11.802 -7.574 331 H SER 4 H SER 4 -22.484 -10.328 -7.093 332 HA SER 4 HA SER 4 -19.692 -10.818 -6.977 333 HB2 SER 4 HB2 SER 4 -21.257 -9.067 -8.889 334 HB3 SER 4 HB3 SER 4 -19.624 -9.683 -9.141 335 HG SER 4 HG SER 4 -20.881 -11.112 -10.190 336 H SER 5 H SER 5 -21.780 -8.071 -6.419 337 HA SER 5 HA SER 5 -19.782 -6.104 -6.200 338 HB2 SER 5 HB2 SER 5 -21.658 -4.953 -4.831 339 HB3 SER 5 HB3 SER 5 -21.976 -5.315 -6.528 340 HG SER 5 HG SER 5 -23.711 -5.971 -5.178 341 H LEU 6 H LEU 6 -20.860 -8.633 -4.142 342 HA LEU 6 HA LEU 6 -19.795 -7.447 -1.737 343 HB2 LEU 6 HB2 LEU 6 -21.838 -8.874 -1.730 344 HB3 LEU 6 HB3 LEU 6 -20.854 -10.233 -2.235 345 HG LEU 6 HG LEU 6 -19.574 -10.064 -0.124 346 HD11 LEU 6 HD11 LEU 6 -19.890 -7.701 0.328 347 HD12 LEU 6 HD12 LEU 6 -20.451 -8.671 1.690 348 HD13 LEU 6 HD13 LEU 6 -21.617 -7.961 0.573 349 HD21 LEU 6 HD21 LEU 6 -21.460 -11.597 -0.313 350 HD22 LEU 6 HD22 LEU 6 -22.557 -10.323 0.215 351 HD23 LEU 6 HD23 LEU 6 -21.330 -10.943 1.319 352 H GLU 7 H GLU 7 -19.206 -10.444 -3.560 353 HA GLU 7 HA GLU 7 -16.928 -11.266 -2.224 354 HB2 GLU 7 HB2 GLU 7 -17.837 -11.771 -5.059 355 HB3 GLU 7 HB3 GLU 7 -16.489 -12.611 -4.308 356 HG2 GLU 7 HG2 GLU 7 -19.263 -12.623 -3.164 357 HG3 GLU 7 HG3 GLU 7 -18.692 -13.820 -4.325 358 H ALA 8 H ALA 8 -17.033 -9.704 -5.431 359 HA ALA 8 HA ALA 8 -14.276 -9.661 -5.802 360 HB1 ALA 8 HB1 ALA 8 -14.701 -8.135 -7.642 361 HB2 ALA 8 HB2 ALA 8 -16.330 -7.830 -7.035 362 HB3 ALA 8 HB3 ALA 8 -15.892 -9.435 -7.625 363 H VAL 9 H VAL 9 -16.431 -7.016 -4.788 364 HA VAL 9 HA VAL 9 -14.449 -5.071 -4.584 365 HB VAL 9 HB VAL 9 -17.081 -5.248 -3.105 366 HG11 VAL 9 HG11 VAL 9 -15.271 -2.869 -3.516 367 HG12 VAL 9 HG12 VAL 9 -15.533 -3.709 -1.990 368 HG13 VAL 9 HG13 VAL 9 -16.862 -2.840 -2.758 369 HG21 VAL 9 HG21 VAL 9 -17.863 -3.703 -4.842 370 HG22 VAL 9 HG22 VAL 9 -17.335 -5.244 -5.521 371 HG23 VAL 9 HG23 VAL 9 -16.297 -3.821 -5.642 372 H ARG 10 H ARG 10 -15.727 -7.360 -2.190 373 HA ARG 10 HA ARG 10 -14.373 -6.424 0.056 374 HB2 ARG 10 HB2 ARG 10 -16.116 -8.199 0.102 375 HB3 ARG 10 HB3 ARG 10 -14.965 -9.310 -0.629 376 HG2 ARG 10 HG2 ARG 10 -13.471 -8.728 1.401 377 HG3 ARG 10 HG3 ARG 10 -14.972 -8.140 2.123 378 HD2 ARG 10 HD2 ARG 10 -14.442 -10.919 1.084 379 HD3 ARG 10 HD3 ARG 10 -14.562 -10.439 2.776 380 HE ARG 10 HE ARG 10 -16.931 -9.896 2.311 381 HH11 ARG 10 HH11 ARG 10 -15.222 -12.101 0.174 382 HH12 ARG 10 HH12 ARG 10 -16.674 -12.899 -0.360 383 HH21 ARG 10 HH21 ARG 10 -18.820 -10.986 1.620 384 HH22 ARG 10 HH22 ARG 10 -18.694 -12.274 0.463 385 H ARG 11 H ARG 11 -13.398 -8.839 -2.356 386 HA ARG 11 HA ARG 11 -10.961 -9.523 -1.203 387 HB2 ARG 11 HB2 ARG 11 -12.007 -10.843 -2.976 388 HB3 ARG 11 HB3 ARG 11 -11.770 -9.531 -4.118 389 HG2 ARG 11 HG2 ARG 11 -10.138 -11.328 -4.418 390 HG3 ARG 11 HG3 ARG 11 -9.368 -9.801 -3.983 391 HD2 ARG 11 HD2 ARG 11 -9.941 -11.192 -1.577 392 HD3 ARG 11 HD3 ARG 11 -9.175 -12.330 -2.686 393 HE ARG 11 HE ARG 11 -7.631 -10.103 -2.878 394 HH11 ARG 11 HH11 ARG 11 -8.602 -12.222 -0.245 395 HH12 ARG 11 HH12 ARG 11 -7.240 -11.795 0.747 396 HH21 ARG 11 HH21 ARG 11 -5.853 -9.553 -1.572 397 HH22 ARG 11 HH22 ARG 11 -5.688 -10.251 0.017 398 H LYS 12 H LYS 12 -11.788 -6.916 -3.467 399 HA LYS 12 HA LYS 12 -9.112 -6.157 -3.937 400 HB2 LYS 12 HB2 LYS 12 -10.858 -5.496 -5.483 401 HB3 LYS 12 HB3 LYS 12 -11.654 -4.553 -4.229 402 HG2 LYS 12 HG2 LYS 12 -9.906 -2.958 -4.184 403 HG3 LYS 12 HG3 LYS 12 -8.852 -3.982 -5.159 404 HD2 LYS 12 HD2 LYS 12 -11.457 -2.831 -6.153 405 HD3 LYS 12 HD3 LYS 12 -9.891 -2.053 -6.382 406 HE2 LYS 12 HE2 LYS 12 -9.100 -4.106 -7.538 407 HE3 LYS 12 HE3 LYS 12 -10.730 -4.764 -7.405 408 HZ1 LYS 12 HZ1 LYS 12 -10.376 -3.777 -9.572 409 HZ2 LYS 12 HZ2 LYS 12 -9.962 -2.290 -8.868 410 HZ3 LYS 12 HZ3 LYS 12 -11.543 -2.888 -8.718 411 H ILE 13 H ILE 13 -11.595 -4.784 -1.742 412 HA ILE 13 HA ILE 13 -9.823 -2.834 -0.723 413 HB ILE 13 HB ILE 13 -11.474 -2.492 1.094 414 HG12 ILE 13 HG12 ILE 13 -13.750 -3.751 0.484 415 HG13 ILE 13 HG13 ILE 13 -12.627 -4.995 -0.046 416 HG21 ILE 13 HG21 ILE 13 -11.663 -1.309 -1.019 417 HG22 ILE 13 HG22 ILE 13 -13.255 -1.655 -0.346 418 HG23 ILE 13 HG23 ILE 13 -12.636 -2.623 -1.683 419 HD11 ILE 13 HD11 ILE 13 -11.623 -5.033 2.192 420 HD12 ILE 13 HD12 ILE 13 -13.348 -5.402 2.227 421 HD13 ILE 13 HD13 ILE 13 -12.778 -3.807 2.718 422 H ARG 14 H ARG 14 -10.546 -6.127 0.153 423 HA ARG 14 HA ARG 14 -9.230 -6.246 2.615 424 HB2 ARG 14 HB2 ARG 14 -10.450 -8.153 2.158 425 HB3 ARG 14 HB3 ARG 14 -9.945 -8.202 0.478 426 HG2 ARG 14 HG2 ARG 14 -9.019 -10.073 1.641 427 HG3 ARG 14 HG3 ARG 14 -7.721 -8.967 1.194 428 HD2 ARG 14 HD2 ARG 14 -7.859 -8.035 3.527 429 HD3 ARG 14 HD3 ARG 14 -8.955 -9.364 3.915 430 HE ARG 14 HE ARG 14 -6.308 -9.963 2.794 431 HH11 ARG 14 HH11 ARG 14 -8.525 -10.056 5.517 432 HH12 ARG 14 HH12 ARG 14 -7.568 -11.200 6.414 433 HH21 ARG 14 HH21 ARG 14 -5.087 -11.483 3.933 434 HH22 ARG 14 HH22 ARG 14 -5.597 -12.021 5.509 435 H SER 15 H SER 15 -8.057 -6.647 -0.699 436 HA SER 15 HA SER 15 -5.433 -7.363 -0.120 437 HB2 SER 15 HB2 SER 15 -6.435 -5.748 -2.479 438 HB3 SER 15 HB3 SER 15 -4.920 -6.647 -2.401 439 HG SER 15 HG SER 15 -7.565 -7.688 -2.347 440 H LEU 16 H LEU 16 -6.994 -4.219 -0.398 441 HA LEU 16 HA LEU 16 -4.701 -2.620 -0.235 442 HB2 LEU 16 HB2 LEU 16 -7.499 -2.023 0.731 443 HB3 LEU 16 HB3 LEU 16 -6.231 -0.836 0.489 444 HG LEU 16 HG LEU 16 -7.487 -2.513 -1.683 445 HD11 LEU 16 HD11 LEU 16 -7.812 0.404 -0.999 446 HD12 LEU 16 HD12 LEU 16 -9.030 -0.857 -0.802 447 HD13 LEU 16 HD13 LEU 16 -8.485 -0.403 -2.416 448 HD21 LEU 16 HD21 LEU 16 -5.478 -0.268 -1.825 449 HD22 LEU 16 HD22 LEU 16 -6.250 -1.051 -3.205 450 HD23 LEU 16 HD23 LEU 16 -5.164 -1.971 -2.163 451 H GLN 17 H GLN 17 -6.909 -3.833 2.266 452 HA GLN 17 HA GLN 17 -5.758 -2.488 4.418 453 HB2 GLN 17 HB2 GLN 17 -7.310 -5.077 4.338 454 HB3 GLN 17 HB3 GLN 17 -6.885 -4.230 5.820 455 HG2 GLN 17 HG2 GLN 17 -8.132 -2.255 4.992 456 HG3 GLN 17 HG3 GLN 17 -8.642 -3.209 3.600 457 HE21 GLN 17 HE21 GLN 17 -10.819 -3.008 4.158 458 HE22 GLN 17 HE22 GLN 17 -11.512 -3.851 5.505 459 H GLU 18 H GLU 18 -5.140 -5.797 3.211 460 HA GLU 18 HA GLU 18 -3.261 -6.359 5.258 461 HB2 GLU 18 HB2 GLU 18 -2.683 -8.343 3.902 462 HB3 GLU 18 HB3 GLU 18 -4.413 -8.187 4.164 463 HG2 GLU 18 HG2 GLU 18 -4.670 -7.283 1.913 464 HG3 GLU 18 HG3 GLU 18 -2.931 -7.442 1.654 465 H GLN 19 H GLN 19 -3.098 -4.832 2.146 466 HA GLN 19 HA GLN 19 -0.320 -5.049 1.722 467 HB2 GLN 19 HB2 GLN 19 -2.052 -4.405 0.007 468 HB3 GLN 19 HB3 GLN 19 -2.144 -2.830 0.779 469 HG2 GLN 19 HG2 GLN 19 -0.728 -2.741 -1.174 470 HG3 GLN 19 HG3 GLN 19 0.214 -2.451 0.284 471 HE21 GLN 19 HE21 GLN 19 1.710 -3.983 0.957 472 HE22 GLN 19 HE22 GLN 19 2.254 -5.262 -0.077 473 H ASN 20 H ASN 20 -2.364 -2.837 3.496 474 HA ASN 20 HA ASN 20 -0.651 -0.726 4.004 475 HB2 ASN 20 HB2 ASN 20 -2.851 -1.978 5.631 476 HB3 ASN 20 HB3 ASN 20 -1.909 -0.645 6.283 477 HD21 ASN 20 HD21 ASN 20 -2.577 -0.804 2.877 478 HD22 ASN 20 HD22 ASN 20 -3.718 0.491 2.854 479 H TYR 21 H TYR 21 -1.278 -3.370 6.283 480 HA TYR 21 HA TYR 21 0.718 -2.763 8.086 481 HB2 TYR 21 HB2 TYR 21 -0.477 -5.462 7.426 482 HB3 TYR 21 HB3 TYR 21 0.483 -5.113 8.859 483 HD1 TYR 21 HD1 TYR 21 -2.735 -4.496 7.175 484 HD2 TYR 21 HD2 TYR 21 -0.468 -3.948 10.734 485 HE1 TYR 21 HE1 TYR 21 -4.773 -3.796 8.359 486 HE2 TYR 21 HE2 TYR 21 -2.503 -3.242 11.926 487 HH TYR 21 HH TYR 21 -4.704 -2.324 11.438 488 H HIS 22 H HIS 22 0.819 -4.744 5.189 489 HA HIS 22 HA HIS 22 3.290 -5.978 5.612 490 HB2 HIS 22 HB2 HIS 22 1.404 -6.310 3.780 491 HB3 HIS 22 HB3 HIS 22 2.421 -5.211 2.857 492 HD1 HIS 22 HD1 HIS 22 5.166 -6.130 3.045 493 HD2 HIS 22 HD2 HIS 22 2.006 -8.844 3.206 494 HE1 HIS 22 HE1 HIS 22 6.136 -8.359 2.407 495 HE2 HIS 22 HE2 HIS 22 4.173 -9.939 2.327 496 H LEU 23 H LEU 23 2.451 -3.048 3.764 497 HA LEU 23 HA LEU 23 5.099 -2.491 2.978 498 HB2 LEU 23 HB2 LEU 23 2.672 -0.708 3.137 499 HB3 LEU 23 HB3 LEU 23 4.196 -0.235 2.410 500 HG LEU 23 HG LEU 23 2.431 -2.493 1.456 501 HD11 LEU 23 HD11 LEU 23 2.008 -1.051 -0.471 502 HD12 LEU 23 HD12 LEU 23 2.952 0.235 0.282 503 HD13 LEU 23 HD13 LEU 23 1.449 -0.306 1.027 504 HD21 LEU 23 HD21 LEU 23 3.948 -2.542 -0.474 505 HD22 LEU 23 HD22 LEU 23 4.779 -2.943 1.030 506 HD23 LEU 23 HD23 LEU 23 4.974 -1.344 0.313 507 H GLU 24 H GLU 24 3.108 -1.427 5.699 508 HA GLU 24 HA GLU 24 4.833 0.540 6.675 509 HB2 GLU 24 HB2 GLU 24 2.934 -1.265 8.183 510 HB3 GLU 24 HB3 GLU 24 3.732 0.137 8.875 511 HG2 GLU 24 HG2 GLU 24 2.603 1.514 7.093 512 HG3 GLU 24 HG3 GLU 24 1.655 0.078 6.710 513 H ASN 25 H ASN 25 4.756 -2.950 7.086 514 HA ASN 25 HA ASN 25 6.703 -3.098 9.118 515 HB2 ASN 25 HB2 ASN 25 5.165 -4.964 8.623 516 HB3 ASN 25 HB3 ASN 25 5.940 -5.184 7.059 517 HD21 ASN 25 HD21 ASN 25 6.318 -5.485 10.515 518 HD22 ASN 25 HD22 ASN 25 7.678 -6.555 10.466 519 H GLU 26 H GLU 26 6.866 -3.357 5.584 520 HA GLU 26 HA GLU 26 9.504 -3.977 5.213 521 HB2 GLU 26 HB2 GLU 26 7.461 -2.565 3.643 522 HB3 GLU 26 HB3 GLU 26 9.114 -2.132 3.230 523 HG2 GLU 26 HG2 GLU 26 8.453 -3.885 1.788 524 HG3 GLU 26 HG3 GLU 26 9.598 -4.559 2.945 525 H VAL 27 H VAL 27 8.107 -0.782 5.803 526 HA VAL 27 HA VAL 27 10.386 0.763 5.484 527 HB VAL 27 HB VAL 27 8.170 1.229 7.492 528 HG11 VAL 27 HG11 VAL 27 8.769 3.596 7.255 529 HG12 VAL 27 HG12 VAL 27 10.110 3.147 6.202 530 HG13 VAL 27 HG13 VAL 27 10.105 2.640 7.891 531 HG21 VAL 27 HG21 VAL 27 7.115 2.582 5.741 532 HG22 VAL 27 HG22 VAL 27 7.272 0.894 5.250 533 HG23 VAL 27 HG23 VAL 27 8.383 2.105 4.612 534 H ALA 28 H ALA 28 9.066 -0.559 8.530 535 HA ALA 28 HA ALA 28 11.224 0.256 10.135 536 HB1 ALA 28 HB1 ALA 28 9.241 -1.971 10.594 537 HB2 ALA 28 HB2 ALA 28 9.038 -0.285 11.068 538 HB3 ALA 28 HB3 ALA 28 10.300 -1.265 11.814 539 H ARG 29 H ARG 29 10.457 -2.730 8.487 540 HA ARG 29 HA ARG 29 12.373 -4.460 9.397 541 HB2 ARG 29 HB2 ARG 29 10.454 -4.880 7.822 542 HB3 ARG 29 HB3 ARG 29 11.421 -4.171 6.544 543 HG2 ARG 29 HG2 ARG 29 13.042 -5.956 6.737 544 HG3 ARG 29 HG3 ARG 29 12.146 -6.646 8.099 545 HD2 ARG 29 HD2 ARG 29 10.174 -6.884 6.613 546 HD3 ARG 29 HD3 ARG 29 11.154 -6.309 5.269 547 HE ARG 29 HE ARG 29 12.556 -8.439 6.197 548 HH11 ARG 29 HH11 ARG 29 9.224 -7.947 5.244 549 HH12 ARG 29 HH12 ARG 29 9.002 -9.574 4.675 550 HH21 ARG 29 HH21 ARG 29 12.275 -10.604 5.439 551 HH22 ARG 29 HH22 ARG 29 10.740 -11.079 4.764 552 H LEU 30 H LEU 30 12.643 -1.976 6.883 553 HA LEU 30 HA LEU 30 15.362 -2.739 6.289 554 HB2 LEU 30 HB2 LEU 30 13.623 -1.966 4.591 555 HB3 LEU 30 HB3 LEU 30 13.849 -0.352 5.233 556 HG LEU 30 HG LEU 30 16.176 -1.921 4.152 557 HD11 LEU 30 HD11 LEU 30 14.279 -0.163 2.599 558 HD12 LEU 30 HD12 LEU 30 14.495 -1.903 2.397 559 HD13 LEU 30 HD13 LEU 30 15.812 -0.797 2.002 560 HD21 LEU 30 HD21 LEU 30 16.676 0.087 5.453 561 HD22 LEU 30 HD22 LEU 30 15.615 1.033 4.410 562 HD23 LEU 30 HD23 LEU 30 17.086 0.317 3.752 563 H LYS 31 H LYS 31 13.680 0.099 7.681 564 HA LYS 31 HA LYS 31 15.923 1.738 7.766 565 HB2 LYS 31 HB2 LYS 31 14.680 3.183 9.264 566 HB3 LYS 31 HB3 LYS 31 13.632 2.600 7.983 567 HG2 LYS 31 HG2 LYS 31 12.652 0.975 9.517 568 HG3 LYS 31 HG3 LYS 31 13.714 1.548 10.804 569 HD2 LYS 31 HD2 LYS 31 12.686 3.735 10.729 570 HD3 LYS 31 HD3 LYS 31 11.701 3.259 9.344 571 HE2 LYS 31 HE2 LYS 31 10.659 1.503 10.772 572 HE3 LYS 31 HE3 LYS 31 11.557 2.153 12.144 573 HZ1 LYS 31 HZ1 LYS 31 9.200 2.945 11.875 574 HZ2 LYS 31 HZ2 LYS 31 9.732 3.820 10.517 575 HZ3 LYS 31 HZ3 LYS 31 10.374 4.158 12.046 576 H LYS 32 H LYS 32 14.701 -0.540 10.201 577 HA LYS 32 HA LYS 32 16.402 0.273 12.279 578 HB2 LYS 32 HB2 LYS 32 14.515 -1.209 12.697 579 HB3 LYS 32 HB3 LYS 32 15.249 -2.467 11.710 580 HG2 LYS 32 HG2 LYS 32 15.543 -2.942 14.070 581 HG3 LYS 32 HG3 LYS 32 17.101 -2.631 13.301 582 HD2 LYS 32 HD2 LYS 32 16.744 -0.198 14.092 583 HD3 LYS 32 HD3 LYS 32 15.544 -0.892 15.184 584 HE2 LYS 32 HE2 LYS 32 18.450 -1.701 15.020 585 HE3 LYS 32 HE3 LYS 32 17.747 -0.652 16.248 586 HZ1 LYS 32 HZ1 LYS 32 16.310 -2.514 16.914 587 HZ2 LYS 32 HZ2 LYS 32 17.958 -2.864 17.103 588 HZ3 LYS 32 HZ3 LYS 32 17.100 -3.521 15.796 589 H LEU 33 H LEU 33 16.961 -1.764 9.495 590 HA LEU 33 HA LEU 33 19.447 -2.813 10.533 591 HB2 LEU 33 HB2 LEU 33 17.752 -3.992 8.967 592 HB3 LEU 33 HB3 LEU 33 18.492 -3.052 7.691 593 HG LEU 33 HG LEU 33 19.323 -5.417 7.932 594 HD11 LEU 33 HD11 LEU 33 21.381 -3.242 8.240 595 HD12 LEU 33 HD12 LEU 33 20.618 -3.743 6.731 596 HD13 LEU 33 HD13 LEU 33 21.670 -4.861 7.601 597 HD21 LEU 33 HD21 LEU 33 19.334 -5.549 10.352 598 HD22 LEU 33 HD22 LEU 33 20.579 -4.301 10.431 599 HD23 LEU 33 HD23 LEU 33 20.945 -5.867 9.707 600 H VAL 34 H VAL 34 18.399 -0.464 8.088 601 HA VAL 34 HA VAL 34 21.012 0.041 7.090 602 HB VAL 34 HB VAL 34 18.904 0.528 5.836 603 HG11 VAL 34 HG11 VAL 34 17.606 1.580 7.590 604 HG12 VAL 34 HG12 VAL 34 17.776 2.671 6.215 605 HG13 VAL 34 HG13 VAL 34 18.749 2.919 7.664 606 HG21 VAL 34 HG21 VAL 34 20.856 2.802 6.128 607 HG22 VAL 34 HG22 VAL 34 19.743 2.579 4.777 608 HG23 VAL 34 HG23 VAL 34 21.024 1.403 5.070 609 H GLY 35 H GLY 35 19.231 1.248 9.813 610 HA2 GLY 35 HA2 GLY 35 20.884 3.530 10.309 611 HA3 GLY 35 HA3 GLY 35 19.800 2.763 11.462 612 H GLU 36 H GLU 36 21.119 0.149 10.957 613 HA GLU 36 HA GLU 36 22.743 -1.177 11.778 614 HB2 GLU 36 HB2 GLU 36 24.429 1.308 11.487 615 HB3 GLU 36 HB3 GLU 36 25.067 -0.283 11.878 616 HG2 GLU 36 HG2 GLU 36 24.168 -1.132 9.748 617 HG3 GLU 36 HG3 GLU 36 23.639 0.502 9.349 618 H ARG 37 H ARG 37 24.532 -1.271 13.566 619 HA ARG 37 HA ARG 37 24.215 0.388 15.842 620 HB2 ARG 37 HB2 ARG 37 23.377 -1.614 17.291 621 HB3 ARG 37 HB3 ARG 37 22.215 -0.630 16.420 622 HG2 ARG 37 HG2 ARG 37 21.571 -2.898 16.174 623 HG3 ARG 37 HG3 ARG 37 22.205 -2.360 14.620 624 HD2 ARG 37 HD2 ARG 37 24.325 -3.466 15.091 625 HD3 ARG 37 HD3 ARG 37 23.723 -3.968 16.673 626 HE ARG 37 HE ARG 37 21.890 -5.009 14.996 627 HH11 ARG 37 HH11 ARG 37 25.393 -5.166 15.032 628 HH12 ARG 37 HH12 ARG 37 25.446 -6.724 14.252 629 HH21 ARG 37 HH21 ARG 37 21.979 -7.067 13.988 630 HH22 ARG 37 HH22 ARG 37 23.531 -7.801 13.698 Start of MODEL 6 1 HA2 GLY 0 HA2 GLY 0 -26.837 9.114 12.945 2 HA3 GLY 0 HA3 GLY 0 -28.272 8.403 12.223 3 H ALA 1 H ALA 1 -28.557 8.536 9.954 4 HA ALA 1 HA ALA 1 -25.991 8.601 8.544 5 HB1 ALA 1 HB1 ALA 1 -28.633 7.433 7.672 6 HB2 ALA 1 HB2 ALA 1 -27.326 6.541 8.452 7 HB3 ALA 1 HB3 ALA 1 -27.080 7.246 6.853 8 H GLY 2 H GLY 2 -26.965 8.848 5.950 9 HA2 GLY 2 HA2 GLY 2 -28.530 10.702 4.971 10 HA3 GLY 2 HA3 GLY 2 -27.435 11.744 5.875 11 H SER 3 H SER 3 -25.642 12.422 4.864 12 HA SER 3 HA SER 3 -24.773 11.002 2.460 13 HB2 SER 3 HB2 SER 3 -23.188 12.940 2.223 14 HB3 SER 3 HB3 SER 3 -24.889 13.404 2.219 15 HG SER 3 HG SER 3 -22.943 13.742 4.252 16 H SER 4 H SER 4 -24.367 10.796 5.667 17 HA SER 4 HA SER 4 -21.670 10.772 6.235 18 HB2 SER 4 HB2 SER 4 -23.527 10.615 7.892 19 HB3 SER 4 HB3 SER 4 -23.756 8.929 7.426 20 HG SER 4 HG SER 4 -21.730 10.123 8.910 21 H SER 5 H SER 5 -23.672 7.964 5.290 22 HA SER 5 HA SER 5 -21.636 6.063 5.363 23 HB2 SER 5 HB2 SER 5 -23.993 5.435 5.245 24 HB3 SER 5 HB3 SER 5 -24.123 6.133 3.632 25 HG SER 5 HG SER 5 -23.023 3.720 4.452 26 H LEU 6 H LEU 6 -22.856 7.914 2.580 27 HA LEU 6 HA LEU 6 -21.156 6.762 0.670 28 HB2 LEU 6 HB2 LEU 6 -23.198 8.006 0.116 29 HB3 LEU 6 HB3 LEU 6 -22.449 9.489 0.673 30 HG LEU 6 HG LEU 6 -20.753 9.270 -1.126 31 HD11 LEU 6 HD11 LEU 6 -21.150 7.689 -2.942 32 HD12 LEU 6 HD12 LEU 6 -22.487 6.980 -2.037 33 HD13 LEU 6 HD13 LEU 6 -20.840 6.856 -1.419 34 HD21 LEU 6 HD21 LEU 6 -22.254 9.894 -2.955 35 HD22 LEU 6 HD22 LEU 6 -22.716 10.671 -1.439 36 HD23 LEU 6 HD23 LEU 6 -23.628 9.282 -2.032 37 H GLU 7 H GLU 7 -20.837 9.766 2.550 38 HA GLU 7 HA GLU 7 -18.436 10.594 1.311 39 HB2 GLU 7 HB2 GLU 7 -19.998 12.059 2.616 40 HB3 GLU 7 HB3 GLU 7 -19.394 11.307 4.087 41 HG2 GLU 7 HG2 GLU 7 -18.268 13.381 3.803 42 HG3 GLU 7 HG3 GLU 7 -17.117 12.088 3.479 43 H ALA 8 H ALA 8 -19.113 8.686 4.201 44 HA ALA 8 HA ALA 8 -16.509 8.638 5.253 45 HB1 ALA 8 HB1 ALA 8 -17.251 6.802 6.619 46 HB2 ALA 8 HB2 ALA 8 -18.622 6.510 5.549 47 HB3 ALA 8 HB3 ALA 8 -18.546 7.994 6.499 48 H VAL 9 H VAL 9 -18.190 6.259 3.177 49 HA VAL 9 HA VAL 9 -15.920 4.546 3.035 50 HB VAL 9 HB VAL 9 -18.210 3.712 2.672 51 HG11 VAL 9 HG11 VAL 9 -19.347 4.061 0.541 52 HG12 VAL 9 HG12 VAL 9 -18.080 5.180 0.042 53 HG13 VAL 9 HG13 VAL 9 -19.125 5.584 1.405 54 HG21 VAL 9 HG21 VAL 9 -17.715 2.239 0.778 55 HG22 VAL 9 HG22 VAL 9 -16.328 2.409 1.855 56 HG23 VAL 9 HG23 VAL 9 -16.369 3.283 0.324 57 H ARG 10 H ARG 10 -17.084 7.216 1.095 58 HA ARG 10 HA ARG 10 -15.467 6.851 -1.171 59 HB2 ARG 10 HB2 ARG 10 -17.400 8.489 -0.878 60 HB3 ARG 10 HB3 ARG 10 -16.262 9.531 -0.034 61 HG2 ARG 10 HG2 ARG 10 -14.903 8.964 -2.324 62 HG3 ARG 10 HG3 ARG 10 -16.573 9.000 -2.886 63 HD2 ARG 10 HD2 ARG 10 -15.037 11.174 -1.490 64 HD3 ARG 10 HD3 ARG 10 -15.716 11.200 -3.114 65 HE ARG 10 HE ARG 10 -17.103 11.710 -0.620 66 HH11 ARG 10 HH11 ARG 10 -17.461 10.797 -3.996 67 HH12 ARG 10 HH12 ARG 10 -19.069 11.449 -4.127 68 HH21 ARG 10 HH21 ARG 10 -19.192 12.583 -0.802 69 HH22 ARG 10 HH22 ARG 10 -20.053 12.471 -2.313 70 H ARG 11 H ARG 11 -14.988 8.998 1.629 71 HA ARG 11 HA ARG 11 -12.361 9.739 0.866 72 HB2 ARG 11 HB2 ARG 11 -12.233 10.880 2.961 73 HB3 ARG 11 HB3 ARG 11 -13.874 11.066 2.360 74 HG2 ARG 11 HG2 ARG 11 -14.491 9.116 3.853 75 HG3 ARG 11 HG3 ARG 11 -12.897 9.310 4.589 76 HD2 ARG 11 HD2 ARG 11 -15.154 11.297 4.507 77 HD3 ARG 11 HD3 ARG 11 -14.448 10.525 5.923 78 HE ARG 11 HE ARG 11 -12.389 11.905 4.719 79 HH11 ARG 11 HH11 ARG 11 -15.515 12.709 6.101 80 HH12 ARG 11 HH12 ARG 11 -15.040 14.328 6.531 81 HH21 ARG 11 HH21 ARG 11 -11.765 13.996 5.276 82 HH22 ARG 11 HH22 ARG 11 -12.895 15.069 6.063 83 H LYS 12 H LYS 12 -13.665 7.067 2.632 84 HA LYS 12 HA LYS 12 -11.414 6.204 4.051 85 HB2 LYS 12 HB2 LYS 12 -13.805 5.290 4.120 86 HB3 LYS 12 HB3 LYS 12 -13.378 4.360 2.690 87 HG2 LYS 12 HG2 LYS 12 -13.061 2.872 4.441 88 HG3 LYS 12 HG3 LYS 12 -11.433 3.458 4.096 89 HD2 LYS 12 HD2 LYS 12 -11.790 3.416 6.489 90 HD3 LYS 12 HD3 LYS 12 -11.677 5.090 5.941 91 HE2 LYS 12 HE2 LYS 12 -14.105 5.277 5.970 92 HE3 LYS 12 HE3 LYS 12 -14.241 3.592 6.469 93 HZ1 LYS 12 HZ1 LYS 12 -14.480 5.077 8.346 94 HZ2 LYS 12 HZ2 LYS 12 -12.967 5.774 8.033 95 HZ3 LYS 12 HZ3 LYS 12 -13.069 4.152 8.517 96 H ILE 13 H ILE 13 -12.573 5.083 0.856 97 HA ILE 13 HA ILE 13 -10.180 3.644 0.342 98 HB ILE 13 HB ILE 13 -11.027 3.421 -1.990 99 HG12 ILE 13 HG12 ILE 13 -13.590 4.128 -2.080 100 HG13 ILE 13 HG13 ILE 13 -13.037 5.384 -0.982 101 HG21 ILE 13 HG21 ILE 13 -12.968 2.770 0.220 102 HG22 ILE 13 HG22 ILE 13 -11.602 1.786 -0.309 103 HG23 ILE 13 HG23 ILE 13 -12.974 2.046 -1.388 104 HD11 ILE 13 HD11 ILE 13 -11.394 6.102 -2.648 105 HD12 ILE 13 HD12 ILE 13 -13.043 6.173 -3.266 106 HD13 ILE 13 HD13 ILE 13 -11.979 4.854 -3.750 107 H ARG 14 H ARG 14 -11.194 6.915 -0.323 108 HA ARG 14 HA ARG 14 -9.258 7.608 -2.228 109 HB2 ARG 14 HB2 ARG 14 -10.712 9.214 -0.136 110 HB3 ARG 14 HB3 ARG 14 -9.542 9.956 -1.221 111 HG2 ARG 14 HG2 ARG 14 -11.983 8.441 -2.126 112 HG3 ARG 14 HG3 ARG 14 -11.897 10.195 -1.951 113 HD2 ARG 14 HD2 ARG 14 -10.132 8.537 -3.749 114 HD3 ARG 14 HD3 ARG 14 -11.542 9.456 -4.275 115 HE ARG 14 HE ARG 14 -9.932 11.264 -2.967 116 HH11 ARG 14 HH11 ARG 14 -9.673 9.182 -5.773 117 HH12 ARG 14 HH12 ARG 14 -8.505 10.195 -6.563 118 HH21 ARG 14 HH21 ARG 14 -8.404 12.596 -3.997 119 HH22 ARG 14 HH22 ARG 14 -7.769 12.137 -5.549 120 H SER 15 H SER 15 -9.183 7.880 1.311 121 HA SER 15 HA SER 15 -6.558 8.910 1.463 122 HB2 SER 15 HB2 SER 15 -8.045 7.327 3.573 123 HB3 SER 15 HB3 SER 15 -6.708 8.447 3.839 124 HG SER 15 HG SER 15 -9.365 9.010 3.045 125 H LEU 16 H LEU 16 -7.867 5.628 1.614 126 HA LEU 16 HA LEU 16 -5.490 4.323 2.341 127 HB2 LEU 16 HB2 LEU 16 -7.873 3.320 0.791 128 HB3 LEU 16 HB3 LEU 16 -6.581 2.287 1.374 129 HG LEU 16 HG LEU 16 -8.424 3.935 3.117 130 HD11 LEU 16 HD11 LEU 16 -9.616 2.097 2.101 131 HD12 LEU 16 HD12 LEU 16 -9.314 1.739 3.803 132 HD13 LEU 16 HD13 LEU 16 -8.333 0.975 2.553 133 HD21 LEU 16 HD21 LEU 16 -6.316 1.905 3.857 134 HD22 LEU 16 HD22 LEU 16 -7.400 2.733 4.974 135 HD23 LEU 16 HD23 LEU 16 -6.186 3.648 4.081 136 H GLN 17 H GLN 17 -6.892 4.881 -0.894 137 HA GLN 17 HA GLN 17 -4.862 3.511 -2.293 138 HB2 GLN 17 HB2 GLN 17 -6.766 5.675 -3.198 139 HB3 GLN 17 HB3 GLN 17 -5.709 4.780 -4.284 140 HG2 GLN 17 HG2 GLN 17 -6.807 2.711 -3.721 141 HG3 GLN 17 HG3 GLN 17 -7.796 3.526 -2.512 142 HE21 GLN 17 HE21 GLN 17 -9.712 2.907 -3.482 143 HE22 GLN 17 HE22 GLN 17 -10.264 3.603 -4.963 144 H GLU 18 H GLU 18 -5.304 6.957 -1.568 145 HA GLU 18 HA GLU 18 -3.000 7.912 -2.835 146 HB2 GLU 18 HB2 GLU 18 -4.636 9.476 -2.110 147 HB3 GLU 18 HB3 GLU 18 -4.567 8.895 -0.456 148 HG2 GLU 18 HG2 GLU 18 -3.515 11.085 -0.732 149 HG3 GLU 18 HG3 GLU 18 -2.383 9.866 -0.161 150 H GLN 19 H GLN 19 -3.477 6.860 0.533 151 HA GLN 19 HA GLN 19 -0.860 7.405 1.386 152 HB2 GLN 19 HB2 GLN 19 -2.843 6.970 2.866 153 HB3 GLN 19 HB3 GLN 19 -2.672 5.258 2.492 154 HG2 GLN 19 HG2 GLN 19 -1.650 5.811 4.632 155 HG3 GLN 19 HG3 GLN 19 -0.446 5.250 3.471 156 HE21 GLN 19 HE21 GLN 19 1.018 6.726 2.602 157 HE22 GLN 19 HE22 GLN 19 1.306 8.279 3.315 158 H ASN 20 H ASN 20 -2.313 4.431 0.114 159 HA ASN 20 HA ASN 20 -0.111 2.741 0.485 160 HB2 ASN 20 HB2 ASN 20 -2.516 2.694 -1.273 161 HB3 ASN 20 HB3 ASN 20 -1.185 1.625 -1.699 162 HD21 ASN 20 HD21 ASN 20 -3.642 2.353 0.652 163 HD22 ASN 20 HD22 ASN 20 -3.528 0.857 1.518 164 H TYR 21 H TYR 21 -1.043 4.626 -2.388 165 HA TYR 21 HA TYR 21 1.152 3.774 -3.953 166 HB2 TYR 21 HB2 TYR 21 -1.009 4.762 -4.800 167 HB3 TYR 21 HB3 TYR 21 -0.414 6.337 -4.284 168 HD1 TYR 21 HD1 TYR 21 0.270 3.500 -6.567 169 HD2 TYR 21 HD2 TYR 21 1.084 7.571 -5.631 170 HE1 TYR 21 HE1 TYR 21 1.430 3.754 -8.719 171 HE2 TYR 21 HE2 TYR 21 2.246 7.837 -7.782 172 HH TYR 21 HH TYR 21 3.391 6.432 -9.442 173 H HIS 22 H HIS 22 0.614 6.552 -1.862 174 HA HIS 22 HA HIS 22 2.941 8.008 -2.487 175 HB2 HIS 22 HB2 HIS 22 0.791 8.497 -0.951 176 HB3 HIS 22 HB3 HIS 22 1.932 8.046 0.311 177 HD1 HIS 22 HD1 HIS 22 0.841 10.843 -1.709 178 HD2 HIS 22 HD2 HIS 22 4.342 9.758 0.270 179 HE1 HIS 22 HE1 HIS 22 2.189 12.961 -1.492 180 HE2 HIS 22 HE2 HIS 22 4.340 12.273 -0.368 181 H LEU 23 H LEU 23 2.280 5.634 0.078 182 HA LEU 23 HA LEU 23 4.907 5.641 1.137 183 HB2 LEU 23 HB2 LEU 23 2.701 3.593 1.311 184 HB3 LEU 23 HB3 LEU 23 4.210 3.470 2.192 185 HG LEU 23 HG LEU 23 2.166 5.666 2.506 186 HD11 LEU 23 HD11 LEU 23 1.411 3.534 3.409 187 HD12 LEU 23 HD12 LEU 23 1.771 4.681 4.701 188 HD13 LEU 23 HD13 LEU 23 2.907 3.385 4.328 189 HD21 LEU 23 HD21 LEU 23 4.441 6.466 2.874 190 HD22 LEU 23 HD22 LEU 23 4.727 5.145 4.010 191 HD23 LEU 23 HD23 LEU 23 3.537 6.392 4.386 192 H GLU 24 H GLU 24 3.302 3.747 -1.361 193 HA GLU 24 HA GLU 24 5.161 1.745 -1.796 194 HB2 GLU 24 HB2 GLU 24 3.042 1.832 -3.004 195 HB3 GLU 24 HB3 GLU 24 3.557 3.290 -3.842 196 HG2 GLU 24 HG2 GLU 24 5.531 1.797 -4.647 197 HG3 GLU 24 HG3 GLU 24 4.447 0.473 -4.226 198 H ASN 25 H ASN 25 5.062 4.993 -3.256 199 HA ASN 25 HA ASN 25 7.453 4.656 -4.734 200 HB2 ASN 25 HB2 ASN 25 5.557 6.390 -5.055 201 HB3 ASN 25 HB3 ASN 25 6.419 7.339 -3.848 202 HD21 ASN 25 HD21 ASN 25 5.898 7.807 -6.718 203 HD22 ASN 25 HD22 ASN 25 7.450 8.080 -7.429 204 H GLU 26 H GLU 26 6.773 6.006 -1.530 205 HA GLU 26 HA GLU 26 9.385 6.988 -1.059 206 HB2 GLU 26 HB2 GLU 26 7.423 7.700 0.246 207 HB3 GLU 26 HB3 GLU 26 7.314 6.093 0.955 208 HG2 GLU 26 HG2 GLU 26 9.373 6.372 2.103 209 HG3 GLU 26 HG3 GLU 26 9.731 7.859 1.227 210 H VAL 27 H VAL 27 7.846 3.891 -0.185 211 HA VAL 27 HA VAL 27 10.114 2.802 1.100 212 HB VAL 27 HB VAL 27 7.813 1.396 -0.274 213 HG11 VAL 27 HG11 VAL 27 9.943 0.277 1.550 214 HG12 VAL 27 HG12 VAL 27 9.694 -0.122 -0.151 215 HG13 VAL 27 HG13 VAL 27 8.485 -0.581 1.050 216 HG21 VAL 27 HG21 VAL 27 7.142 2.782 1.612 217 HG22 VAL 27 HG22 VAL 27 8.349 2.002 2.633 218 HG23 VAL 27 HG23 VAL 27 6.984 1.073 2.013 219 H ALA 28 H ALA 28 9.030 2.758 -2.263 220 HA ALA 28 HA ALA 28 11.045 1.064 -3.267 221 HB1 ALA 28 HB1 ALA 28 10.516 2.024 -5.457 222 HB2 ALA 28 HB2 ALA 28 9.581 3.297 -4.673 223 HB3 ALA 28 HB3 ALA 28 9.054 1.617 -4.557 224 H ARG 29 H ARG 29 10.941 4.534 -2.684 225 HA ARG 29 HA ARG 29 13.413 5.215 -3.839 226 HB2 ARG 29 HB2 ARG 29 11.400 6.528 -2.380 227 HB3 ARG 29 HB3 ARG 29 12.867 6.734 -1.435 228 HG2 ARG 29 HG2 ARG 29 13.062 8.553 -2.763 229 HG3 ARG 29 HG3 ARG 29 13.858 7.374 -3.806 230 HD2 ARG 29 HD2 ARG 29 10.992 8.308 -3.989 231 HD3 ARG 29 HD3 ARG 29 12.302 8.703 -5.099 232 HE ARG 29 HE ARG 29 10.810 6.210 -4.950 233 HH11 ARG 29 HH11 ARG 29 13.570 7.929 -6.272 234 HH12 ARG 29 HH12 ARG 29 13.753 6.846 -7.625 235 HH21 ARG 29 HH21 ARG 29 11.036 4.803 -6.754 236 HH22 ARG 29 HH22 ARG 29 12.299 5.087 -7.910 237 H LEU 30 H LEU 30 12.504 4.090 -0.627 238 HA LEU 30 HA LEU 30 15.004 4.366 0.623 239 HB2 LEU 30 HB2 LEU 30 12.904 4.069 1.843 240 HB3 LEU 30 HB3 LEU 30 12.750 2.446 1.203 241 HG LEU 30 HG LEU 30 14.806 1.797 2.426 242 HD11 LEU 30 HD11 LEU 30 14.591 4.563 3.601 243 HD12 LEU 30 HD12 LEU 30 15.879 3.973 2.549 244 HD13 LEU 30 HD13 LEU 30 15.672 3.287 4.161 245 HD21 LEU 30 HD21 LEU 30 13.782 1.774 4.644 246 HD22 LEU 30 HD22 LEU 30 12.595 1.403 3.393 247 HD23 LEU 30 HD23 LEU 30 12.629 3.005 4.131 248 H LYS 31 H LYS 31 13.489 1.489 -0.879 249 HA LYS 31 HA LYS 31 15.710 -0.187 -0.343 250 HB2 LYS 31 HB2 LYS 31 14.651 -1.759 -1.986 251 HB3 LYS 31 HB3 LYS 31 13.609 -1.250 -0.669 252 HG2 LYS 31 HG2 LYS 31 12.206 -1.164 -2.483 253 HG3 LYS 31 HG3 LYS 31 12.739 0.509 -2.351 254 HD2 LYS 31 HD2 LYS 31 12.808 -0.123 -4.657 255 HD3 LYS 31 HD3 LYS 31 14.468 0.017 -4.080 256 HE2 LYS 31 HE2 LYS 31 14.516 -2.438 -3.766 257 HE3 LYS 31 HE3 LYS 31 12.896 -2.530 -4.454 258 HZ1 LYS 31 HZ1 LYS 31 13.852 -1.438 -6.478 259 HZ2 LYS 31 HZ2 LYS 31 14.409 -3.014 -6.184 260 HZ3 LYS 31 HZ3 LYS 31 15.393 -1.681 -5.815 261 H LYS 32 H LYS 32 14.941 1.947 -3.008 262 HA LYS 32 HA LYS 32 16.973 0.940 -4.733 263 HB2 LYS 32 HB2 LYS 32 14.988 2.365 -5.436 264 HB3 LYS 32 HB3 LYS 32 15.848 3.744 -4.763 265 HG2 LYS 32 HG2 LYS 32 16.203 3.644 -7.145 266 HG3 LYS 32 HG3 LYS 32 17.720 3.300 -6.304 267 HD2 LYS 32 HD2 LYS 32 17.242 0.867 -6.585 268 HD3 LYS 32 HD3 LYS 32 15.845 1.302 -7.569 269 HE2 LYS 32 HE2 LYS 32 18.723 1.972 -8.158 270 HE3 LYS 32 HE3 LYS 32 17.754 0.740 -8.963 271 HZ1 LYS 32 HZ1 LYS 32 17.781 2.646 -10.342 272 HZ2 LYS 32 HZ2 LYS 32 17.370 3.678 -9.069 273 HZ3 LYS 32 HZ3 LYS 32 16.234 2.571 -9.656 274 H LEU 33 H LEU 33 16.784 3.545 -2.359 275 HA LEU 33 HA LEU 33 19.305 4.682 -2.808 276 HB2 LEU 33 HB2 LEU 33 17.512 5.738 -1.490 277 HB3 LEU 33 HB3 LEU 33 17.732 4.535 -0.234 278 HG LEU 33 HG LEU 33 20.027 5.381 0.142 279 HD11 LEU 33 HD11 LEU 33 20.445 6.276 -2.094 280 HD12 LEU 33 HD12 LEU 33 20.708 7.498 -0.851 281 HD13 LEU 33 HD13 LEU 33 19.236 7.531 -1.823 282 HD21 LEU 33 HD21 LEU 33 19.356 7.477 1.222 283 HD22 LEU 33 HD22 LEU 33 18.183 6.190 1.504 284 HD23 LEU 33 HD23 LEU 33 17.840 7.451 0.320 285 H VAL 34 H VAL 34 18.299 2.138 -0.525 286 HA VAL 34 HA VAL 34 20.916 1.777 0.537 287 HB VAL 34 HB VAL 34 18.885 1.100 1.774 288 HG11 VAL 34 HG11 VAL 34 17.735 -0.980 1.244 289 HG12 VAL 34 HG12 VAL 34 18.717 -1.162 -0.209 290 HG13 VAL 34 HG13 VAL 34 17.586 0.183 -0.071 291 HG21 VAL 34 HG21 VAL 34 21.034 0.171 2.412 292 HG22 VAL 34 HG22 VAL 34 20.829 -1.145 1.257 293 HG23 VAL 34 HG23 VAL 34 19.754 -1.019 2.647 294 H GLY 35 H GLY 35 19.210 0.477 -2.219 295 HA2 GLY 35 HA2 GLY 35 21.117 -1.590 -2.772 296 HA3 GLY 35 HA3 GLY 35 19.899 -0.970 -3.879 297 H GLU 36 H GLU 36 21.086 1.797 -3.227 298 HA GLU 36 HA GLU 36 23.081 1.658 -5.374 299 HB2 GLU 36 HB2 GLU 36 21.338 3.912 -4.380 300 HB3 GLU 36 HB3 GLU 36 22.628 4.141 -5.553 301 HG2 GLU 36 HG2 GLU 36 20.240 2.346 -5.907 302 HG3 GLU 36 HG3 GLU 36 20.432 3.952 -6.607 303 H ARG 37 H ARG 37 23.628 1.194 -2.432 304 HA ARG 37 HA ARG 37 25.370 3.461 -1.858 305 HB2 ARG 37 HB2 ARG 37 24.088 2.474 0.013 306 HB3 ARG 37 HB3 ARG 37 24.915 0.942 -0.239 307 HG2 ARG 37 HG2 ARG 37 27.039 1.958 0.320 308 HG3 ARG 37 HG3 ARG 37 26.264 3.532 0.496 309 HD2 ARG 37 HD2 ARG 37 25.667 1.092 2.164 310 HD3 ARG 37 HD3 ARG 37 26.694 2.435 2.659 311 HE ARG 37 HE ARG 37 23.786 2.422 2.459 312 HH11 ARG 37 HH11 ARG 37 26.717 4.275 3.018 313 HH12 ARG 37 HH12 ARG 37 25.877 5.617 3.735 314 HH21 ARG 37 HH21 ARG 37 22.699 4.157 3.449 315 HH22 ARG 37 HH22 ARG 37 23.596 5.534 4.006 316 HA2 GLY 0 HA2 GLY 0 -23.157 -9.430 -15.366 317 HA3 GLY 0 HA3 GLY 0 -22.575 -7.772 -15.455 318 H ALA 1 H ALA 1 -24.647 -9.961 -13.614 319 HA ALA 1 HA ALA 1 -23.939 -8.460 -11.194 320 HB1 ALA 1 HB1 ALA 1 -26.228 -8.573 -10.364 321 HB2 ALA 1 HB2 ALA 1 -26.750 -9.342 -11.863 322 HB3 ALA 1 HB3 ALA 1 -26.163 -7.679 -11.883 323 H GLY 2 H GLY 2 -24.442 -9.748 -9.207 324 HA2 GLY 2 HA2 GLY 2 -24.945 -12.009 -8.363 325 HA3 GLY 2 HA3 GLY 2 -24.110 -12.632 -9.782 326 H SER 3 H SER 3 -23.415 -10.203 -7.296 327 HA SER 3 HA SER 3 -21.705 -9.915 -5.849 328 HB2 SER 3 HB2 SER 3 -21.057 -12.819 -6.423 329 HB3 SER 3 HB3 SER 3 -20.395 -11.856 -5.099 330 HG SER 3 HG SER 3 -22.642 -13.247 -5.128 331 H SER 4 H SER 4 -21.454 -9.588 -8.800 332 HA SER 4 HA SER 4 -18.801 -10.126 -9.586 333 HB2 SER 4 HB2 SER 4 -20.638 -7.935 -10.591 334 HB3 SER 4 HB3 SER 4 -19.282 -8.665 -11.455 335 HG SER 4 HG SER 4 -20.468 -10.369 -11.914 336 H SER 5 H SER 5 -20.407 -7.113 -8.582 337 HA SER 5 HA SER 5 -18.035 -5.603 -8.401 338 HB2 SER 5 HB2 SER 5 -20.582 -5.047 -6.879 339 HB3 SER 5 HB3 SER 5 -19.411 -3.890 -7.510 340 HG SER 5 HG SER 5 -20.083 -4.359 -9.592 341 H LEU 6 H LEU 6 -19.809 -7.643 -6.197 342 HA LEU 6 HA LEU 6 -18.783 -6.807 -3.759 343 HB2 LEU 6 HB2 LEU 6 -20.655 -8.351 -3.922 344 HB3 LEU 6 HB3 LEU 6 -19.619 -9.572 -4.637 345 HG LEU 6 HG LEU 6 -18.303 -9.584 -2.490 346 HD11 LEU 6 HD11 LEU 6 -20.635 -7.939 -1.527 347 HD12 LEU 6 HD12 LEU 6 -18.952 -7.418 -1.626 348 HD13 LEU 6 HD13 LEU 6 -19.419 -8.689 -0.494 349 HD21 LEU 6 HD21 LEU 6 -19.916 -10.966 -1.308 350 HD22 LEU 6 HD22 LEU 6 -19.954 -11.299 -3.041 351 HD23 LEU 6 HD23 LEU 6 -21.217 -10.314 -2.304 352 H GLU 7 H GLU 7 -17.716 -9.644 -5.642 353 HA GLU 7 HA GLU 7 -15.522 -10.237 -4.061 354 HB2 GLU 7 HB2 GLU 7 -16.065 -10.822 -6.973 355 HB3 GLU 7 HB3 GLU 7 -14.713 -11.503 -6.078 356 HG2 GLU 7 HG2 GLU 7 -17.594 -11.846 -5.292 357 HG3 GLU 7 HG3 GLU 7 -16.686 -13.000 -6.268 358 H ALA 8 H ALA 8 -15.781 -8.181 -6.918 359 HA ALA 8 HA ALA 8 -13.091 -7.659 -7.342 360 HB1 ALA 8 HB1 ALA 8 -13.825 -5.644 -8.499 361 HB2 ALA 8 HB2 ALA 8 -15.420 -5.787 -7.762 362 HB3 ALA 8 HB3 ALA 8 -14.865 -7.010 -8.907 363 H VAL 9 H VAL 9 -15.428 -5.704 -5.480 364 HA VAL 9 HA VAL 9 -13.480 -3.890 -4.542 365 HB VAL 9 HB VAL 9 -16.220 -4.500 -3.418 366 HG11 VAL 9 HG11 VAL 9 -14.422 -2.120 -2.967 367 HG12 VAL 9 HG12 VAL 9 -14.823 -3.362 -1.782 368 HG13 VAL 9 HG13 VAL 9 -16.080 -2.284 -2.386 369 HG21 VAL 9 HG21 VAL 9 -16.938 -2.524 -4.673 370 HG22 VAL 9 HG22 VAL 9 -16.309 -3.776 -5.744 371 HG23 VAL 9 HG23 VAL 9 -15.319 -2.368 -5.354 372 H ARG 10 H ARG 10 -14.931 -6.811 -3.195 373 HA ARG 10 HA ARG 10 -13.991 -6.595 -0.578 374 HB2 ARG 10 HB2 ARG 10 -15.647 -8.287 -1.739 375 HB3 ARG 10 HB3 ARG 10 -14.195 -9.260 -1.922 376 HG2 ARG 10 HG2 ARG 10 -15.380 -9.918 0.068 377 HG3 ARG 10 HG3 ARG 10 -13.848 -9.161 0.509 378 HD2 ARG 10 HD2 ARG 10 -14.933 -7.125 1.100 379 HD3 ARG 10 HD3 ARG 10 -16.461 -7.675 0.419 380 HE ARG 10 HE ARG 10 -15.670 -9.453 2.442 381 HH11 ARG 10 HH11 ARG 10 -16.777 -6.153 2.060 382 HH12 ARG 10 HH12 ARG 10 -17.554 -6.102 3.617 383 HH21 ARG 10 HH21 ARG 10 -16.728 -9.409 4.461 384 HH22 ARG 10 HH22 ARG 10 -17.553 -7.961 4.968 385 H ARG 11 H ARG 11 -12.591 -8.251 -3.390 386 HA ARG 11 HA ARG 11 -10.267 -9.161 -2.102 387 HB2 ARG 11 HB2 ARG 11 -11.244 -9.914 -4.326 388 HB3 ARG 11 HB3 ARG 11 -10.542 -8.465 -5.026 389 HG2 ARG 11 HG2 ARG 11 -8.315 -9.228 -4.420 390 HG3 ARG 11 HG3 ARG 11 -9.006 -10.665 -3.660 391 HD2 ARG 11 HD2 ARG 11 -9.022 -9.920 -6.577 392 HD3 ARG 11 HD3 ARG 11 -8.275 -11.327 -5.815 393 HE ARG 11 HE ARG 11 -10.804 -11.767 -5.187 394 HH11 ARG 11 HH11 ARG 11 -9.397 -10.817 -8.260 395 HH12 ARG 11 HH12 ARG 11 -10.736 -11.414 -9.194 396 HH21 ARG 11 HH21 ARG 11 -12.530 -12.569 -6.405 397 HH22 ARG 11 HH22 ARG 11 -12.524 -12.428 -8.140 398 H LYS 12 H LYS 12 -11.102 -6.231 -3.813 399 HA LYS 12 HA LYS 12 -8.550 -5.137 -4.107 400 HB2 LYS 12 HB2 LYS 12 -10.878 -4.529 -5.144 401 HB3 LYS 12 HB3 LYS 12 -11.001 -3.454 -3.760 402 HG2 LYS 12 HG2 LYS 12 -9.146 -2.180 -4.459 403 HG3 LYS 12 HG3 LYS 12 -8.673 -3.393 -5.655 404 HD2 LYS 12 HD2 LYS 12 -10.839 -2.979 -6.822 405 HD3 LYS 12 HD3 LYS 12 -11.135 -1.654 -5.697 406 HE2 LYS 12 HE2 LYS 12 -9.236 -0.452 -6.509 407 HE3 LYS 12 HE3 LYS 12 -8.715 -1.829 -7.483 408 HZ1 LYS 12 HZ1 LYS 12 -9.846 -0.112 -8.800 409 HZ2 LYS 12 HZ2 LYS 12 -11.252 -0.332 -7.880 410 HZ3 LYS 12 HZ3 LYS 12 -10.673 -1.594 -8.847 411 H ILE 13 H ILE 13 -11.065 -4.529 -1.628 412 HA ILE 13 HA ILE 13 -9.464 -2.667 -0.225 413 HB ILE 13 HB ILE 13 -11.130 -2.861 1.599 414 HG12 ILE 13 HG12 ILE 13 -13.292 -4.156 0.721 415 HG13 ILE 13 HG13 ILE 13 -12.072 -5.153 -0.065 416 HG21 ILE 13 HG21 ILE 13 -11.456 -1.262 -0.164 417 HG22 ILE 13 HG22 ILE 13 -13.014 -1.944 0.304 418 HG23 ILE 13 HG23 ILE 13 -12.224 -2.481 -1.179 419 HD11 ILE 13 HD11 ILE 13 -11.049 -5.615 2.093 420 HD12 ILE 13 HD12 ILE 13 -12.751 -6.082 2.076 421 HD13 ILE 13 HD13 ILE 13 -12.250 -4.597 2.887 422 H ARG 14 H ARG 14 -9.795 -6.130 -0.106 423 HA ARG 14 HA ARG 14 -8.549 -6.577 2.369 424 HB2 ARG 14 HB2 ARG 14 -8.944 -8.201 -0.106 425 HB3 ARG 14 HB3 ARG 14 -7.790 -8.765 1.093 426 HG2 ARG 14 HG2 ARG 14 -10.691 -8.170 1.632 427 HG3 ARG 14 HG3 ARG 14 -10.007 -9.774 1.363 428 HD2 ARG 14 HD2 ARG 14 -9.403 -7.883 3.632 429 HD3 ARG 14 HD3 ARG 14 -10.245 -9.429 3.724 430 HE ARG 14 HE ARG 14 -7.485 -9.450 2.757 431 HH11 ARG 14 HH11 ARG 14 -9.766 -10.137 5.334 432 HH12 ARG 14 HH12 ARG 14 -8.624 -11.060 6.269 433 HH21 ARG 14 HH21 ARG 14 -5.986 -10.658 3.976 434 HH22 ARG 14 HH22 ARG 14 -6.470 -11.364 5.492 435 H SER 15 H SER 15 -7.262 -6.348 -0.922 436 HA SER 15 HA SER 15 -4.617 -6.925 -0.400 437 HB2 SER 15 HB2 SER 15 -5.598 -6.724 -2.662 438 HB3 SER 15 HB3 SER 15 -5.714 -4.979 -2.444 439 HG SER 15 HG SER 15 -3.222 -5.659 -1.902 440 H LEU 16 H LEU 16 -6.356 -3.861 -0.136 441 HA LEU 16 HA LEU 16 -4.200 -2.157 0.279 442 HB2 LEU 16 HB2 LEU 16 -6.977 -2.006 1.452 443 HB3 LEU 16 HB3 LEU 16 -5.824 -0.686 1.422 444 HG LEU 16 HG LEU 16 -7.013 -2.000 -1.023 445 HD11 LEU 16 HD11 LEU 16 -7.638 0.638 0.295 446 HD12 LEU 16 HD12 LEU 16 -8.700 -0.766 0.198 447 HD13 LEU 16 HD13 LEU 16 -8.257 0.105 -1.269 448 HD21 LEU 16 HD21 LEU 16 -5.266 0.440 -0.719 449 HD22 LEU 16 HD22 LEU 16 -6.019 -0.101 -2.220 450 HD23 LEU 16 HD23 LEU 16 -4.794 -1.100 -1.438 451 H GLN 17 H GLN 17 -6.297 -3.637 2.749 452 HA GLN 17 HA GLN 17 -4.763 -2.769 4.937 453 HB2 GLN 17 HB2 GLN 17 -6.643 -5.134 4.784 454 HB3 GLN 17 HB3 GLN 17 -6.113 -4.320 6.249 455 HG2 GLN 17 HG2 GLN 17 -7.258 -2.289 5.552 456 HG3 GLN 17 HG3 GLN 17 -7.764 -3.081 4.060 457 HE21 GLN 17 HE21 GLN 17 -9.938 -2.811 4.505 458 HE22 GLN 17 HE22 GLN 17 -10.754 -3.720 5.727 459 H GLU 18 H GLU 18 -4.767 -5.671 2.991 460 HA GLU 18 HA GLU 18 -3.131 -7.338 4.475 461 HB2 GLU 18 HB2 GLU 18 -4.391 -7.951 2.421 462 HB3 GLU 18 HB3 GLU 18 -3.236 -7.034 1.468 463 HG2 GLU 18 HG2 GLU 18 -2.641 -9.298 1.265 464 HG3 GLU 18 HG3 GLU 18 -1.454 -8.566 2.345 465 H GLN 19 H GLN 19 -2.236 -4.990 1.956 466 HA GLN 19 HA GLN 19 0.549 -5.503 2.225 467 HB2 GLN 19 HB2 GLN 19 -0.534 -4.703 0.122 468 HB3 GLN 19 HB3 GLN 19 -0.822 -3.154 0.902 469 HG2 GLN 19 HG2 GLN 19 1.131 -3.081 -0.546 470 HG3 GLN 19 HG3 GLN 19 1.566 -2.802 1.140 471 HE21 GLN 19 HE21 GLN 19 1.718 -5.037 -1.531 472 HE22 GLN 19 HE22 GLN 19 2.956 -6.045 -0.873 473 H ASN 20 H ASN 20 -1.701 -3.102 3.464 474 HA ASN 20 HA ASN 20 0.087 -1.215 4.428 475 HB2 ASN 20 HB2 ASN 20 -2.709 -1.966 5.081 476 HB3 ASN 20 HB3 ASN 20 -1.844 -1.010 6.282 477 HD21 ASN 20 HD21 ASN 20 -1.199 -0.777 2.867 478 HD22 ASN 20 HD22 ASN 20 -1.850 0.811 2.660 479 H TYR 21 H TYR 21 -1.295 -4.021 6.120 480 HA TYR 21 HA TYR 21 -0.082 -3.572 8.586 481 HB2 TYR 21 HB2 TYR 21 -1.900 -5.312 7.835 482 HB3 TYR 21 HB3 TYR 21 -0.510 -6.358 7.558 483 HD1 TYR 21 HD1 TYR 21 -2.511 -4.614 10.075 484 HD2 TYR 21 HD2 TYR 21 0.799 -7.209 9.427 485 HE1 TYR 21 HE1 TYR 21 -2.508 -5.191 12.463 486 HE2 TYR 21 HE2 TYR 21 0.808 -7.797 11.816 487 HH TYR 21 HH TYR 21 -1.743 -7.128 13.880 488 H HIS 22 H HIS 22 0.988 -5.443 5.790 489 HA HIS 22 HA HIS 22 3.424 -6.340 6.838 490 HB2 HIS 22 HB2 HIS 22 2.583 -7.380 4.868 491 HB3 HIS 22 HB3 HIS 22 2.463 -5.842 4.023 492 HD1 HIS 22 HD1 HIS 22 4.110 -5.789 2.225 493 HD2 HIS 22 HD2 HIS 22 5.640 -7.638 5.622 494 HE1 HIS 22 HE1 HIS 22 6.490 -6.385 1.663 495 HE2 HIS 22 HE2 HIS 22 7.457 -7.273 3.814 496 H LEU 23 H LEU 23 2.653 -3.485 4.859 497 HA LEU 23 HA LEU 23 5.249 -2.570 4.496 498 HB2 LEU 23 HB2 LEU 23 3.181 -1.810 3.292 499 HB3 LEU 23 HB3 LEU 23 2.756 -0.876 4.711 500 HG LEU 23 HG LEU 23 5.378 -0.404 3.324 501 HD11 LEU 23 HD11 LEU 23 2.707 0.791 2.584 502 HD12 LEU 23 HD12 LEU 23 3.682 -0.286 1.581 503 HD13 LEU 23 HD13 LEU 23 4.276 1.327 1.979 504 HD21 LEU 23 HD21 LEU 23 3.530 1.400 4.889 505 HD22 LEU 23 HD22 LEU 23 5.113 1.832 4.244 506 HD23 LEU 23 HD23 LEU 23 4.982 0.627 5.524 507 H GLU 24 H GLU 24 2.871 -1.608 6.976 508 HA GLU 24 HA GLU 24 4.392 0.325 8.239 509 HB2 GLU 24 HB2 GLU 24 2.315 -1.548 9.382 510 HB3 GLU 24 HB3 GLU 24 2.975 -0.168 10.251 511 HG2 GLU 24 HG2 GLU 24 2.112 1.334 8.540 512 HG3 GLU 24 HG3 GLU 24 1.471 -0.041 7.646 513 H ASN 25 H ASN 25 4.313 -3.167 8.794 514 HA ASN 25 HA ASN 25 6.130 -3.060 10.989 515 HB2 ASN 25 HB2 ASN 25 4.999 -5.282 9.309 516 HB3 ASN 25 HB3 ASN 25 6.310 -5.597 10.439 517 HD21 ASN 25 HD21 ASN 25 2.965 -4.713 10.096 518 HD22 ASN 25 HD22 ASN 25 2.532 -4.943 11.762 519 H GLU 26 H GLU 26 6.366 -3.746 7.547 520 HA GLU 26 HA GLU 26 8.967 -4.719 7.472 521 HB2 GLU 26 HB2 GLU 26 7.176 -4.690 5.627 522 HB3 GLU 26 HB3 GLU 26 7.746 -3.064 5.273 523 HG2 GLU 26 HG2 GLU 26 8.883 -4.439 3.775 524 HG3 GLU 26 HG3 GLU 26 10.059 -4.095 5.044 525 H VAL 27 H VAL 27 7.793 -1.403 6.888 526 HA VAL 27 HA VAL 27 10.290 -0.311 6.314 527 HB VAL 27 HB VAL 27 8.190 0.840 5.761 528 HG11 VAL 27 HG11 VAL 27 6.951 2.090 7.463 529 HG12 VAL 27 HG12 VAL 27 7.967 1.383 8.718 530 HG13 VAL 27 HG13 VAL 27 6.900 0.353 7.764 531 HG21 VAL 27 HG21 VAL 27 8.888 3.118 6.376 532 HG22 VAL 27 HG22 VAL 27 10.238 2.132 5.812 533 HG23 VAL 27 HG23 VAL 27 10.030 2.438 7.536 534 H ALA 28 H ALA 28 8.601 -0.754 9.377 535 HA ALA 28 HA ALA 28 10.263 0.787 11.002 536 HB1 ALA 28 HB1 ALA 28 9.385 -0.512 12.859 537 HB2 ALA 28 HB2 ALA 28 8.771 -1.727 11.738 538 HB3 ALA 28 HB3 ALA 28 8.094 -0.100 11.729 539 H ARG 29 H ARG 29 10.412 -2.621 10.095 540 HA ARG 29 HA ARG 29 12.637 -3.375 11.597 541 HB2 ARG 29 HB2 ARG 29 11.806 -4.390 8.870 542 HB3 ARG 29 HB3 ARG 29 12.831 -5.234 10.021 543 HG2 ARG 29 HG2 ARG 29 11.038 -5.627 11.488 544 HG3 ARG 29 HG3 ARG 29 9.998 -4.469 10.655 545 HD2 ARG 29 HD2 ARG 29 10.017 -5.918 8.664 546 HD3 ARG 29 HD3 ARG 29 11.011 -7.085 9.538 547 HE ARG 29 HE ARG 29 8.896 -6.871 11.165 548 HH11 ARG 29 HH11 ARG 29 9.018 -7.221 7.664 549 HH12 ARG 29 HH12 ARG 29 7.549 -8.158 7.602 550 HH21 ARG 29 HH21 ARG 29 6.990 -8.096 11.064 551 HH22 ARG 29 HH22 ARG 29 6.394 -8.651 9.528 552 H LEU 30 H LEU 30 12.395 -2.318 8.226 553 HA LEU 30 HA LEU 30 15.043 -2.604 7.509 554 HB2 LEU 30 HB2 LEU 30 12.755 -1.034 6.475 555 HB3 LEU 30 HB3 LEU 30 14.347 -0.571 5.913 556 HG LEU 30 HG LEU 30 14.716 -2.852 5.067 557 HD11 LEU 30 HD11 LEU 30 13.327 -4.096 6.618 558 HD12 LEU 30 HD12 LEU 30 12.845 -4.429 4.954 559 HD13 LEU 30 HD13 LEU 30 11.880 -3.342 5.951 560 HD21 LEU 30 HD21 LEU 30 13.146 -2.735 3.205 561 HD22 LEU 30 HD22 LEU 30 13.787 -1.139 3.603 562 HD23 LEU 30 HD23 LEU 30 12.156 -1.586 4.107 563 H LYS 31 H LYS 31 13.484 0.526 8.354 564 HA LYS 31 HA LYS 31 15.890 1.902 7.996 565 HB2 LYS 31 HB2 LYS 31 14.681 3.796 9.225 566 HB3 LYS 31 HB3 LYS 31 14.037 3.239 7.691 567 HG2 LYS 31 HG2 LYS 31 12.170 3.549 9.036 568 HG3 LYS 31 HG3 LYS 31 12.441 1.811 9.073 569 HD2 LYS 31 HD2 LYS 31 13.443 1.968 11.259 570 HD3 LYS 31 HD3 LYS 31 13.364 3.733 11.211 571 HE2 LYS 31 HE2 LYS 31 10.939 3.643 11.159 572 HE3 LYS 31 HE3 LYS 31 10.983 1.883 11.118 573 HZ1 LYS 31 HZ1 LYS 31 12.040 3.537 13.352 574 HZ2 LYS 31 HZ2 LYS 31 11.896 1.843 13.319 575 HZ3 LYS 31 HZ3 LYS 31 10.506 2.812 13.333 576 H LYS 32 H LYS 32 14.581 0.351 10.853 577 HA LYS 32 HA LYS 32 16.263 1.780 12.667 578 HB2 LYS 32 HB2 LYS 32 14.179 0.543 13.340 579 HB3 LYS 32 HB3 LYS 32 15.058 -0.959 13.090 580 HG2 LYS 32 HG2 LYS 32 16.750 -0.112 14.761 581 HG3 LYS 32 HG3 LYS 32 15.610 1.180 15.130 582 HD2 LYS 32 HD2 LYS 32 15.319 -0.579 16.736 583 HD3 LYS 32 HD3 LYS 32 13.913 -0.559 15.671 584 HE2 LYS 32 HE2 LYS 32 14.845 -2.406 14.387 585 HE3 LYS 32 HE3 LYS 32 16.281 -2.409 15.411 586 HZ1 LYS 32 HZ1 LYS 32 14.950 -3.040 17.284 587 HZ2 LYS 32 HZ2 LYS 32 14.650 -4.126 16.015 588 HZ3 LYS 32 HZ3 LYS 32 13.524 -2.915 16.377 589 H LEU 33 H LEU 33 16.567 -1.203 10.833 590 HA LEU 33 HA LEU 33 19.026 -1.938 12.171 591 HB2 LEU 33 HB2 LEU 33 17.192 -3.500 11.209 592 HB3 LEU 33 HB3 LEU 33 17.963 -3.210 9.665 593 HG LEU 33 HG LEU 33 18.662 -5.336 10.750 594 HD11 LEU 33 HD11 LEU 33 21.072 -5.057 10.425 595 HD12 LEU 33 HD12 LEU 33 20.857 -3.307 10.397 596 HD13 LEU 33 HD13 LEU 33 20.139 -4.303 9.131 597 HD21 LEU 33 HD21 LEU 33 20.171 -5.246 12.676 598 HD22 LEU 33 HD22 LEU 33 18.569 -4.619 13.067 599 HD23 LEU 33 HD23 LEU 33 19.907 -3.505 12.792 600 H VAL 34 H VAL 34 18.071 -0.895 8.897 601 HA VAL 34 HA VAL 34 20.712 -1.043 7.871 602 HB VAL 34 HB VAL 34 18.618 -1.136 6.489 603 HG11 VAL 34 HG11 VAL 34 17.657 0.983 5.701 604 HG12 VAL 34 HG12 VAL 34 18.651 1.854 6.870 605 HG13 VAL 34 HG13 VAL 34 17.407 0.737 7.430 606 HG21 VAL 34 HG21 VAL 34 20.815 -0.886 5.477 607 HG22 VAL 34 HG22 VAL 34 20.700 0.867 5.637 608 HG23 VAL 34 HG23 VAL 34 19.596 0.004 4.566 609 H GLY 35 H GLY 35 18.962 1.413 9.576 610 HA2 GLY 35 HA2 GLY 35 20.598 3.624 8.835 611 HA3 GLY 35 HA3 GLY 35 19.521 3.547 10.224 612 H GLU 36 H GLU 36 21.039 0.980 10.952 613 HA GLU 36 HA GLU 36 22.682 0.358 12.379 614 HB2 GLU 36 HB2 GLU 36 24.175 2.702 11.185 615 HB3 GLU 36 HB3 GLU 36 24.886 1.476 12.223 616 HG2 GLU 36 HG2 GLU 36 24.375 -0.232 10.563 617 HG3 GLU 36 HG3 GLU 36 23.666 0.998 9.517 618 H ARG 37 H ARG 37 24.463 1.785 13.933 619 HA ARG 37 HA ARG 37 22.822 3.794 15.298 620 HB2 ARG 37 HB2 ARG 37 23.771 2.854 17.476 621 HB3 ARG 37 HB3 ARG 37 22.498 1.936 16.688 622 HG2 ARG 37 HG2 ARG 37 24.165 0.408 15.764 623 HG3 ARG 37 HG3 ARG 37 25.444 1.331 16.561 624 HD2 ARG 37 HD2 ARG 37 24.499 0.807 18.733 625 HD3 ARG 37 HD3 ARG 37 23.156 -0.041 17.967 626 HE ARG 37 HE ARG 37 24.883 -1.623 17.099 627 HH11 ARG 37 HH11 ARG 37 25.485 0.271 19.974 628 HH12 ARG 37 HH12 ARG 37 26.590 -0.872 20.667 629 HH21 ARG 37 HH21 ARG 37 26.342 -3.150 18.001 630 HH22 ARG 37 HH22 ARG 37 27.090 -2.815 19.539 Start of MODEL 7 1 HA2 GLY 0 HA2 GLY 0 -26.137 6.880 -2.978 2 HA3 GLY 0 HA3 GLY 0 -27.492 6.547 -4.045 3 H ALA 1 H ALA 1 -26.231 6.251 -0.812 4 HA ALA 1 HA ALA 1 -28.970 5.740 0.139 5 HB1 ALA 1 HB1 ALA 1 -27.810 3.600 0.194 6 HB2 ALA 1 HB2 ALA 1 -28.123 4.180 1.831 7 HB3 ALA 1 HB3 ALA 1 -26.504 4.314 1.142 8 H GLY 2 H GLY 2 -26.903 7.990 -0.037 9 HA2 GLY 2 HA2 GLY 2 -27.505 9.703 1.855 10 HA3 GLY 2 HA3 GLY 2 -26.485 8.614 2.786 11 H SER 3 H SER 3 -26.392 11.490 1.433 12 HA SER 3 HA SER 3 -24.070 11.365 -0.217 13 HB2 SER 3 HB2 SER 3 -25.284 13.750 1.190 14 HB3 SER 3 HB3 SER 3 -24.125 13.803 -0.136 15 HG SER 3 HG SER 3 -26.330 14.064 -0.812 16 H SER 4 H SER 4 -24.651 11.891 3.200 17 HA SER 4 HA SER 4 -22.070 12.764 3.921 18 HB2 SER 4 HB2 SER 4 -24.011 11.120 5.567 19 HB3 SER 4 HB3 SER 4 -22.676 12.088 6.191 20 HG SER 4 HG SER 4 -23.731 13.940 5.288 21 H SER 5 H SER 5 -23.508 9.554 3.637 22 HA SER 5 HA SER 5 -21.257 8.083 4.475 23 HB2 SER 5 HB2 SER 5 -23.355 7.162 2.503 24 HB3 SER 5 HB3 SER 5 -22.411 6.174 3.618 25 HG SER 5 HG SER 5 -24.136 6.399 4.823 26 H LEU 6 H LEU 6 -22.264 9.424 1.404 27 HA LEU 6 HA LEU 6 -20.498 7.970 -0.251 28 HB2 LEU 6 HB2 LEU 6 -22.583 9.292 -0.907 29 HB3 LEU 6 HB3 LEU 6 -21.584 10.726 -0.812 30 HG LEU 6 HG LEU 6 -20.879 8.426 -2.630 31 HD11 LEU 6 HD11 LEU 6 -22.610 10.817 -3.252 32 HD12 LEU 6 HD12 LEU 6 -23.128 9.132 -3.209 33 HD13 LEU 6 HD13 LEU 6 -21.980 9.672 -4.435 34 HD21 LEU 6 HD21 LEU 6 -20.190 11.365 -2.685 35 HD22 LEU 6 HD22 LEU 6 -19.660 10.155 -3.853 36 HD23 LEU 6 HD23 LEU 6 -19.115 10.062 -2.178 37 H GLU 7 H GLU 7 -20.299 11.280 1.090 38 HA GLU 7 HA GLU 7 -17.726 11.780 0.021 39 HB2 GLU 7 HB2 GLU 7 -17.677 13.705 1.595 40 HB3 GLU 7 HB3 GLU 7 -19.125 13.644 0.606 41 HG2 GLU 7 HG2 GLU 7 -20.359 12.685 2.492 42 HG3 GLU 7 HG3 GLU 7 -18.904 12.785 3.480 43 H ALA 8 H ALA 8 -18.820 10.379 3.059 44 HA ALA 8 HA ALA 8 -16.344 10.461 4.409 45 HB1 ALA 8 HB1 ALA 8 -18.481 9.992 5.527 46 HB2 ALA 8 HB2 ALA 8 -17.269 8.759 5.869 47 HB3 ALA 8 HB3 ALA 8 -18.554 8.430 4.709 48 H VAL 9 H VAL 9 -17.866 7.836 2.532 49 HA VAL 9 HA VAL 9 -15.664 6.071 2.761 50 HB VAL 9 HB VAL 9 -17.885 6.106 0.705 51 HG11 VAL 9 HG11 VAL 9 -15.994 4.825 -0.115 52 HG12 VAL 9 HG12 VAL 9 -17.312 3.743 0.333 53 HG13 VAL 9 HG13 VAL 9 -15.918 3.925 1.397 54 HG21 VAL 9 HG21 VAL 9 -18.689 5.881 3.001 55 HG22 VAL 9 HG22 VAL 9 -17.585 4.531 3.262 56 HG23 VAL 9 HG23 VAL 9 -18.904 4.379 2.103 57 H ARG 10 H ARG 10 -16.618 8.430 0.306 58 HA ARG 10 HA ARG 10 -14.776 7.727 -1.676 59 HB2 ARG 10 HB2 ARG 10 -16.773 9.368 -1.765 60 HB3 ARG 10 HB3 ARG 10 -15.634 10.568 -1.169 61 HG2 ARG 10 HG2 ARG 10 -15.114 8.952 -3.646 62 HG3 ARG 10 HG3 ARG 10 -16.017 10.465 -3.673 63 HD2 ARG 10 HD2 ARG 10 -14.126 11.673 -2.826 64 HD3 ARG 10 HD3 ARG 10 -13.231 10.176 -2.566 65 HE ARG 10 HE ARG 10 -13.518 9.954 -5.127 66 HH11 ARG 10 HH11 ARG 10 -13.057 12.953 -3.384 67 HH12 ARG 10 HH12 ARG 10 -12.264 13.758 -4.703 68 HH21 ARG 10 HH21 ARG 10 -12.427 10.985 -6.858 69 HH22 ARG 10 HH22 ARG 10 -11.862 12.622 -6.664 70 H ARG 11 H ARG 11 -14.499 10.180 0.899 71 HA ARG 11 HA ARG 11 -11.870 10.974 0.330 72 HB2 ARG 11 HB2 ARG 11 -13.318 12.221 1.872 73 HB3 ARG 11 HB3 ARG 11 -13.273 10.883 3.012 74 HG2 ARG 11 HG2 ARG 11 -10.787 11.199 3.142 75 HG3 ARG 11 HG3 ARG 11 -10.994 12.668 2.190 76 HD2 ARG 11 HD2 ARG 11 -12.327 12.129 4.841 77 HD3 ARG 11 HD3 ARG 11 -10.855 13.074 4.631 78 HE ARG 11 HE ARG 11 -13.301 13.903 3.227 79 HH11 ARG 11 HH11 ARG 11 -10.865 14.471 5.678 80 HH12 ARG 11 HH12 ARG 11 -11.353 16.116 5.968 81 HH21 ARG 11 HH21 ARG 11 -13.925 16.096 3.585 82 HH22 ARG 11 HH22 ARG 11 -13.083 17.037 4.790 83 H LYS 12 H LYS 12 -13.139 8.457 2.447 84 HA LYS 12 HA LYS 12 -10.757 7.658 3.654 85 HB2 LYS 12 HB2 LYS 12 -12.989 6.986 4.433 86 HB3 LYS 12 HB3 LYS 12 -13.201 6.007 2.989 87 HG2 LYS 12 HG2 LYS 12 -11.395 4.544 3.683 88 HG3 LYS 12 HG3 LYS 12 -11.111 5.544 5.109 89 HD2 LYS 12 HD2 LYS 12 -13.683 4.086 4.492 90 HD3 LYS 12 HD3 LYS 12 -12.438 3.514 5.603 91 HE2 LYS 12 HE2 LYS 12 -12.756 5.490 6.996 92 HE3 LYS 12 HE3 LYS 12 -13.965 6.101 5.867 93 HZ1 LYS 12 HZ1 LYS 12 -15.387 4.260 6.381 94 HZ2 LYS 12 HZ2 LYS 12 -14.934 5.012 7.832 95 HZ3 LYS 12 HZ3 LYS 12 -14.206 3.548 7.369 96 H ILE 13 H ILE 13 -12.381 6.233 0.789 97 HA ILE 13 HA ILE 13 -10.373 4.292 0.377 98 HB ILE 13 HB ILE 13 -11.349 3.946 -1.858 99 HG12 ILE 13 HG12 ILE 13 -13.173 6.252 -1.127 100 HG13 ILE 13 HG13 ILE 13 -11.909 6.308 -2.350 101 HG21 ILE 13 HG21 ILE 13 -13.560 3.229 -1.083 102 HG22 ILE 13 HG22 ILE 13 -13.362 4.204 0.374 103 HG23 ILE 13 HG23 ILE 13 -12.297 2.828 0.080 104 HD11 ILE 13 HD11 ILE 13 -14.346 4.546 -2.413 105 HD12 ILE 13 HD12 ILE 13 -13.082 4.607 -3.642 106 HD13 ILE 13 HD13 ILE 13 -14.098 6.019 -3.352 107 H ARG 14 H ARG 14 -10.748 7.585 -0.846 108 HA ARG 14 HA ARG 14 -8.676 7.364 -2.783 109 HB2 ARG 14 HB2 ARG 14 -10.445 9.167 -2.743 110 HB3 ARG 14 HB3 ARG 14 -9.560 9.905 -1.412 111 HG2 ARG 14 HG2 ARG 14 -7.563 10.017 -2.892 112 HG3 ARG 14 HG3 ARG 14 -8.578 9.454 -4.218 113 HD2 ARG 14 HD2 ARG 14 -10.064 11.428 -3.794 114 HD3 ARG 14 HD3 ARG 14 -8.854 12.012 -2.651 115 HE ARG 14 HE ARG 14 -8.439 11.680 -5.553 116 HH11 ARG 14 HH11 ARG 14 -7.507 13.090 -2.477 117 HH12 ARG 14 HH12 ARG 14 -6.411 14.235 -3.197 118 HH21 ARG 14 HH21 ARG 14 -7.000 13.189 -6.495 119 HH22 ARG 14 HH22 ARG 14 -6.147 14.316 -5.475 120 H SER 15 H SER 15 -8.773 8.341 0.604 121 HA SER 15 HA SER 15 -6.099 9.197 0.803 122 HB2 SER 15 HB2 SER 15 -7.901 9.606 2.511 123 HB3 SER 15 HB3 SER 15 -7.753 7.917 2.992 124 HG SER 15 HG SER 15 -5.426 9.468 2.897 125 H LEU 16 H LEU 16 -7.616 6.019 1.087 126 HA LEU 16 HA LEU 16 -5.328 4.574 1.847 127 HB2 LEU 16 HB2 LEU 16 -7.944 3.917 0.630 128 HB3 LEU 16 HB3 LEU 16 -6.663 2.749 0.370 129 HG LEU 16 HG LEU 16 -6.358 2.527 2.793 130 HD11 LEU 16 HD11 LEU 16 -7.974 3.518 4.337 131 HD12 LEU 16 HD12 LEU 16 -8.691 4.422 3.002 132 HD13 LEU 16 HD13 LEU 16 -7.030 4.749 3.498 133 HD21 LEU 16 HD21 LEU 16 -9.206 2.155 1.874 134 HD22 LEU 16 HD22 LEU 16 -8.468 1.377 3.274 135 HD23 LEU 16 HD23 LEU 16 -7.878 1.016 1.652 136 H GLN 17 H GLN 17 -6.603 5.441 -1.347 137 HA GLN 17 HA GLN 17 -4.699 4.126 -2.928 138 HB2 GLN 17 HB2 GLN 17 -6.007 6.794 -3.485 139 HB3 GLN 17 HB3 GLN 17 -5.238 5.757 -4.673 140 HG2 GLN 17 HG2 GLN 17 -6.942 4.061 -4.315 141 HG3 GLN 17 HG3 GLN 17 -7.705 5.077 -3.090 142 HE21 GLN 17 HE21 GLN 17 -9.636 5.242 -4.214 143 HE22 GLN 17 HE22 GLN 17 -9.793 6.186 -5.657 144 H GLU 18 H GLU 18 -4.715 7.407 -1.607 145 HA GLU 18 HA GLU 18 -2.214 8.183 -2.664 146 HB2 GLU 18 HB2 GLU 18 -4.057 9.686 -1.791 147 HB3 GLU 18 HB3 GLU 18 -3.526 9.265 -0.172 148 HG2 GLU 18 HG2 GLU 18 -1.610 10.423 -2.149 149 HG3 GLU 18 HG3 GLU 18 -2.708 11.457 -1.241 150 H GLN 19 H GLN 19 -3.176 6.847 0.480 151 HA GLN 19 HA GLN 19 -0.670 6.940 1.721 152 HB2 GLN 19 HB2 GLN 19 -2.773 6.479 2.916 153 HB3 GLN 19 HB3 GLN 19 -2.885 4.916 2.118 154 HG2 GLN 19 HG2 GLN 19 -0.898 4.151 3.239 155 HG3 GLN 19 HG3 GLN 19 -0.648 5.743 3.951 156 HE21 GLN 19 HE21 GLN 19 -2.533 2.825 4.030 157 HE22 GLN 19 HE22 GLN 19 -3.296 3.127 5.555 158 H ASN 20 H ASN 20 -2.131 4.450 -0.343 159 HA ASN 20 HA ASN 20 -0.093 2.539 -0.191 160 HB2 ASN 20 HB2 ASN 20 -2.278 3.148 -2.059 161 HB3 ASN 20 HB3 ASN 20 -0.902 2.341 -2.806 162 HD21 ASN 20 HD21 ASN 20 -1.893 1.895 0.522 163 HD22 ASN 20 HD22 ASN 20 -2.395 0.254 0.345 164 H TYR 21 H TYR 21 -0.549 5.041 -2.678 165 HA TYR 21 HA TYR 21 1.868 4.638 -4.011 166 HB2 TYR 21 HB2 TYR 21 0.107 7.071 -3.741 167 HB3 TYR 21 HB3 TYR 21 1.549 7.065 -4.747 168 HD1 TYR 21 HD1 TYR 21 -0.658 4.131 -4.399 169 HD2 TYR 21 HD2 TYR 21 0.404 7.476 -6.803 170 HE1 TYR 21 HE1 TYR 21 -1.961 3.198 -6.258 171 HE2 TYR 21 HE2 TYR 21 -0.898 6.553 -8.674 172 HH TYR 21 HH TYR 21 -2.975 3.767 -8.279 173 H HIS 22 H HIS 22 1.077 6.625 -1.240 174 HA HIS 22 HA HIS 22 3.445 8.102 -1.021 175 HB2 HIS 22 HB2 HIS 22 1.180 8.291 0.245 176 HB3 HIS 22 HB3 HIS 22 1.886 7.127 1.358 177 HD1 HIS 22 HD1 HIS 22 1.485 10.628 0.921 178 HD2 HIS 22 HD2 HIS 22 4.527 8.189 2.377 179 HE1 HIS 22 HE1 HIS 22 2.946 12.126 2.327 180 HE2 HIS 22 HE2 HIS 22 4.640 10.575 3.367 181 H LEU 23 H LEU 23 2.475 5.040 0.491 182 HA LEU 23 HA LEU 23 4.935 4.607 1.821 183 HB2 LEU 23 HB2 LEU 23 2.712 2.721 1.050 184 HB3 LEU 23 HB3 LEU 23 4.093 2.241 2.015 185 HG LEU 23 HG LEU 23 2.097 4.366 2.795 186 HD11 LEU 23 HD11 LEU 23 1.326 2.738 4.448 187 HD12 LEU 23 HD12 LEU 23 2.433 1.539 3.780 188 HD13 LEU 23 HD13 LEU 23 1.097 2.145 2.802 189 HD21 LEU 23 HD21 LEU 23 3.201 4.282 4.966 190 HD22 LEU 23 HD22 LEU 23 4.340 4.745 3.702 191 HD23 LEU 23 HD23 LEU 23 4.356 3.103 4.345 192 H GLU 24 H GLU 24 3.626 3.402 -1.264 193 HA GLU 24 HA GLU 24 5.626 1.594 -1.923 194 HB2 GLU 24 HB2 GLU 24 4.012 3.395 -3.737 195 HB3 GLU 24 HB3 GLU 24 5.035 2.092 -4.320 196 HG2 GLU 24 HG2 GLU 24 3.673 0.495 -3.009 197 HG3 GLU 24 HG3 GLU 24 2.605 1.825 -2.565 198 H ASN 25 H ASN 25 5.464 5.028 -2.875 199 HA ASN 25 HA ASN 25 7.996 5.006 -4.135 200 HB2 ASN 25 HB2 ASN 25 6.242 7.255 -3.163 201 HB3 ASN 25 HB3 ASN 25 7.798 7.547 -3.931 202 HD21 ASN 25 HD21 ASN 25 4.524 6.506 -4.385 203 HD22 ASN 25 HD22 ASN 25 4.558 6.481 -6.115 204 H GLU 26 H GLU 26 6.963 5.871 -0.870 205 HA GLU 26 HA GLU 26 9.431 7.022 -0.102 206 HB2 GLU 26 HB2 GLU 26 7.289 7.459 1.052 207 HB3 GLU 26 HB3 GLU 26 7.307 5.811 1.663 208 HG2 GLU 26 HG2 GLU 26 9.180 6.227 3.026 209 HG3 GLU 26 HG3 GLU 26 9.518 7.761 2.224 210 H VAL 27 H VAL 27 8.061 3.770 0.453 211 HA VAL 27 HA VAL 27 10.319 2.844 1.894 212 HB VAL 27 HB VAL 27 8.037 1.760 1.934 213 HG11 VAL 27 HG11 VAL 27 8.963 0.537 -0.662 214 HG12 VAL 27 HG12 VAL 27 7.610 1.650 -0.457 215 HG13 VAL 27 HG13 VAL 27 7.547 0.044 0.268 216 HG21 VAL 27 HG21 VAL 27 8.927 -0.516 2.196 217 HG22 VAL 27 HG22 VAL 27 9.956 0.700 2.954 218 HG23 VAL 27 HG23 VAL 27 10.419 -0.006 1.406 219 H ALA 28 H ALA 28 9.523 2.996 -1.515 220 HA ALA 28 HA ALA 28 11.580 1.332 -2.494 221 HB1 ALA 28 HB1 ALA 28 10.316 3.733 -3.813 222 HB2 ALA 28 HB2 ALA 28 9.713 2.078 -3.886 223 HB3 ALA 28 HB3 ALA 28 11.263 2.483 -4.621 224 H ARG 29 H ARG 29 11.467 4.797 -1.801 225 HA ARG 29 HA ARG 29 14.115 5.355 -2.648 226 HB2 ARG 29 HB2 ARG 29 12.302 6.808 -0.711 227 HB3 ARG 29 HB3 ARG 29 13.835 7.444 -1.297 228 HG2 ARG 29 HG2 ARG 29 13.017 7.530 -3.541 229 HG3 ARG 29 HG3 ARG 29 11.543 6.678 -3.086 230 HD2 ARG 29 HD2 ARG 29 10.893 8.563 -1.662 231 HD3 ARG 29 HD3 ARG 29 12.372 9.412 -2.118 232 HE ARG 29 HE ARG 29 11.308 8.999 -4.510 233 HH11 ARG 29 HH11 ARG 29 9.755 10.104 -1.559 234 HH12 ARG 29 HH12 ARG 29 8.559 11.043 -2.407 235 HH21 ARG 29 HH21 ARG 29 9.743 10.209 -5.604 236 HH22 ARG 29 HH22 ARG 29 8.556 11.110 -4.706 237 H LEU 30 H LEU 30 12.697 4.428 0.445 238 HA LEU 30 HA LEU 30 15.034 4.763 1.999 239 HB2 LEU 30 HB2 LEU 30 12.557 4.445 2.719 240 HB3 LEU 30 HB3 LEU 30 12.907 2.734 2.613 241 HG LEU 30 HG LEU 30 14.491 4.612 4.366 242 HD11 LEU 30 HD11 LEU 30 12.159 4.674 5.062 243 HD12 LEU 30 HD12 LEU 30 13.142 3.793 6.234 244 HD13 LEU 30 HD13 LEU 30 12.112 2.912 5.105 245 HD21 LEU 30 HD21 LEU 30 15.128 2.554 5.518 246 HD22 LEU 30 HD22 LEU 30 15.589 2.499 3.817 247 HD23 LEU 30 HD23 LEU 30 14.170 1.611 4.374 248 H LYS 31 H LYS 31 13.605 1.838 0.502 249 HA LYS 31 HA LYS 31 15.655 0.110 1.387 250 HB2 LYS 31 HB2 LYS 31 14.796 -1.512 -0.205 251 HB3 LYS 31 HB3 LYS 31 13.477 -0.727 0.644 252 HG2 LYS 31 HG2 LYS 31 13.058 0.690 -1.300 253 HG3 LYS 31 HG3 LYS 31 14.401 -0.080 -2.147 254 HD2 LYS 31 HD2 LYS 31 13.267 -2.205 -2.120 255 HD3 LYS 31 HD3 LYS 31 11.975 -1.548 -1.113 256 HE2 LYS 31 HE2 LYS 31 11.391 0.013 -2.931 257 HE3 LYS 31 HE3 LYS 31 12.643 -0.715 -3.935 258 HZ1 LYS 31 HZ1 LYS 31 10.387 -2.266 -2.789 259 HZ2 LYS 31 HZ2 LYS 31 11.473 -2.749 -4.002 260 HZ3 LYS 31 HZ3 LYS 31 10.326 -1.536 -4.321 261 H LYS 32 H LYS 32 15.340 2.115 -1.483 262 HA LYS 32 HA LYS 32 17.570 1.011 -2.855 263 HB2 LYS 32 HB2 LYS 32 15.712 2.521 -3.812 264 HB3 LYS 32 HB3 LYS 32 16.635 3.861 -3.148 265 HG2 LYS 32 HG2 LYS 32 18.532 2.430 -4.531 266 HG3 LYS 32 HG3 LYS 32 17.095 2.284 -5.541 267 HD2 LYS 32 HD2 LYS 32 18.252 4.225 -6.270 268 HD3 LYS 32 HD3 LYS 32 16.846 4.784 -5.363 269 HE2 LYS 32 HE2 LYS 32 18.898 6.050 -4.821 270 HE3 LYS 32 HE3 LYS 32 18.220 5.220 -3.420 271 HZ1 LYS 32 HZ1 LYS 32 20.281 3.853 -5.002 272 HZ2 LYS 32 HZ2 LYS 32 19.947 3.743 -3.345 273 HZ3 LYS 32 HZ3 LYS 32 20.766 5.097 -3.959 274 H LEU 33 H LEU 33 17.174 3.500 -0.416 275 HA LEU 33 HA LEU 33 19.840 4.539 -0.687 276 HB2 LEU 33 HB2 LEU 33 17.950 5.912 0.093 277 HB3 LEU 33 HB3 LEU 33 17.814 4.903 1.520 278 HG LEU 33 HG LEU 33 20.074 5.623 2.221 279 HD11 LEU 33 HD11 LEU 33 20.994 6.143 0.031 280 HD12 LEU 33 HD12 LEU 33 21.116 7.534 1.110 281 HD13 LEU 33 HD13 LEU 33 19.870 7.488 -0.137 282 HD21 LEU 33 HD21 LEU 33 18.093 6.764 3.072 283 HD22 LEU 33 HD22 LEU 33 18.136 7.875 1.703 284 HD23 LEU 33 HD23 LEU 33 19.443 7.883 2.887 285 H VAL 34 H VAL 34 18.206 2.307 1.553 286 HA VAL 34 HA VAL 34 20.489 1.995 3.235 287 HB VAL 34 HB VAL 34 18.208 1.482 4.036 288 HG11 VAL 34 HG11 VAL 34 17.266 0.451 2.071 289 HG12 VAL 34 HG12 VAL 34 17.158 -0.660 3.437 290 HG13 VAL 34 HG13 VAL 34 18.395 -0.899 2.203 291 HG21 VAL 34 HG21 VAL 34 20.110 0.568 5.224 292 HG22 VAL 34 HG22 VAL 34 20.132 -0.837 4.156 293 HG23 VAL 34 HG23 VAL 34 18.772 -0.579 5.249 294 H GLY 35 H GLY 35 19.352 0.439 0.320 295 HA2 GLY 35 HA2 GLY 35 21.188 -1.728 0.336 296 HA3 GLY 35 HA3 GLY 35 20.373 -1.074 -1.079 297 H GLU 36 H GLU 36 21.260 1.239 -1.639 298 HA GLU 36 HA GLU 36 24.127 1.472 -1.202 299 HB2 GLU 36 HB2 GLU 36 22.916 1.175 -3.956 300 HB3 GLU 36 HB3 GLU 36 24.546 1.754 -3.655 301 HG2 GLU 36 HG2 GLU 36 24.995 -0.438 -2.509 302 HG3 GLU 36 HG3 GLU 36 23.432 -0.981 -3.121 303 H ARG 37 H ARG 37 24.870 3.455 -2.672 304 HA ARG 37 HA ARG 37 23.103 5.647 -1.958 305 HB2 ARG 37 HB2 ARG 37 25.523 5.796 -1.477 306 HB3 ARG 37 HB3 ARG 37 25.859 5.699 -3.200 307 HG2 ARG 37 HG2 ARG 37 24.660 7.796 -3.556 308 HG3 ARG 37 HG3 ARG 37 24.313 7.887 -1.829 309 HD2 ARG 37 HD2 ARG 37 26.696 7.989 -1.341 310 HD3 ARG 37 HD3 ARG 37 27.063 7.861 -3.062 311 HE ARG 37 HE ARG 37 25.417 10.103 -2.121 312 HH11 ARG 37 HH11 ARG 37 28.446 8.916 -3.432 313 HH12 ARG 37 HH12 ARG 37 29.012 10.493 -3.901 314 HH21 ARG 37 HH21 ARG 37 26.147 12.174 -2.726 315 HH22 ARG 37 HH22 ARG 37 27.687 12.353 -3.515 316 HA2 GLY 0 HA2 GLY 0 -25.348 -8.645 -0.235 317 HA3 GLY 0 HA3 GLY 0 -26.478 -9.905 0.237 318 H ALA 1 H ALA 1 -28.348 -10.201 -0.896 319 HA ALA 1 HA ALA 1 -29.697 -10.240 -2.720 320 HB1 ALA 1 HB1 ALA 1 -30.465 -8.122 -3.641 321 HB2 ALA 1 HB2 ALA 1 -29.139 -7.274 -2.846 322 HB3 ALA 1 HB3 ALA 1 -30.400 -8.039 -1.879 323 H GLY 2 H GLY 2 -27.565 -11.368 -3.401 324 HA2 GLY 2 HA2 GLY 2 -26.709 -11.884 -5.599 325 HA3 GLY 2 HA3 GLY 2 -26.709 -10.160 -5.948 326 H SER 3 H SER 3 -24.663 -12.542 -5.630 327 HA SER 3 HA SER 3 -22.825 -11.386 -3.709 328 HB2 SER 3 HB2 SER 3 -22.529 -13.764 -5.563 329 HB3 SER 3 HB3 SER 3 -21.355 -13.288 -4.336 330 HG SER 3 HG SER 3 -24.082 -13.887 -3.770 331 H SER 4 H SER 4 -23.638 -10.483 -6.690 332 HA SER 4 HA SER 4 -21.271 -10.253 -8.135 333 HB2 SER 4 HB2 SER 4 -23.570 -8.286 -8.153 334 HB3 SER 4 HB3 SER 4 -22.442 -8.629 -9.467 335 HG SER 4 HG SER 4 -24.272 -9.779 -9.903 336 H SER 5 H SER 5 -22.901 -7.649 -6.314 337 HA SER 5 HA SER 5 -20.621 -5.983 -6.275 338 HB2 SER 5 HB2 SER 5 -22.929 -5.819 -4.333 339 HB3 SER 5 HB3 SER 5 -21.958 -4.502 -4.994 340 HG SER 5 HG SER 5 -23.183 -4.450 -6.710 341 H LEU 6 H LEU 6 -21.957 -8.404 -4.165 342 HA LEU 6 HA LEU 6 -20.630 -7.779 -1.798 343 HB2 LEU 6 HB2 LEU 6 -22.549 -9.272 -1.889 344 HB3 LEU 6 HB3 LEU 6 -21.632 -10.434 -2.826 345 HG LEU 6 HG LEU 6 -20.105 -10.720 -0.862 346 HD11 LEU 6 HD11 LEU 6 -20.564 -8.561 0.215 347 HD12 LEU 6 HD12 LEU 6 -20.828 -9.916 1.310 348 HD13 LEU 6 HD13 LEU 6 -22.205 -9.099 0.573 349 HD21 LEU 6 HD21 LEU 6 -21.637 -12.118 0.390 350 HD22 LEU 6 HD22 LEU 6 -21.955 -12.269 -1.338 351 HD23 LEU 6 HD23 LEU 6 -23.018 -11.289 -0.328 352 H GLU 7 H GLU 7 -19.814 -10.340 -4.166 353 HA GLU 7 HA GLU 7 -17.544 -11.176 -2.732 354 HB2 GLU 7 HB2 GLU 7 -19.017 -12.241 -4.732 355 HB3 GLU 7 HB3 GLU 7 -17.628 -11.677 -5.646 356 HG2 GLU 7 HG2 GLU 7 -17.177 -13.909 -5.071 357 HG3 GLU 7 HG3 GLU 7 -16.182 -12.915 -4.005 358 H ALA 8 H ALA 8 -18.001 -9.023 -5.480 359 HA ALA 8 HA ALA 8 -15.421 -8.726 -6.374 360 HB1 ALA 8 HB1 ALA 8 -16.136 -6.565 -7.269 361 HB2 ALA 8 HB2 ALA 8 -17.566 -6.609 -6.237 362 HB3 ALA 8 HB3 ALA 8 -17.368 -7.801 -7.521 363 H VAL 9 H VAL 9 -17.079 -6.621 -4.007 364 HA VAL 9 HA VAL 9 -14.716 -5.172 -3.436 365 HB VAL 9 HB VAL 9 -16.913 -4.147 -3.143 366 HG11 VAL 9 HG11 VAL 9 -18.346 -4.718 -1.246 367 HG12 VAL 9 HG12 VAL 9 -17.288 -6.075 -0.856 368 HG13 VAL 9 HG13 VAL 9 -18.187 -6.063 -2.373 369 HG21 VAL 9 HG21 VAL 9 -15.346 -4.364 -0.580 370 HG22 VAL 9 HG22 VAL 9 -16.542 -3.119 -0.942 371 HG23 VAL 9 HG23 VAL 9 -15.064 -3.224 -1.899 372 H ARG 10 H ARG 10 -16.381 -7.877 -1.914 373 HA ARG 10 HA ARG 10 -15.129 -7.971 0.537 374 HB2 ARG 10 HB2 ARG 10 -17.030 -9.383 -0.003 375 HB3 ARG 10 HB3 ARG 10 -16.090 -10.236 -1.220 376 HG2 ARG 10 HG2 ARG 10 -14.596 -11.055 0.583 377 HG3 ARG 10 HG3 ARG 10 -15.676 -10.304 1.759 378 HD2 ARG 10 HD2 ARG 10 -17.517 -11.693 0.979 379 HD3 ARG 10 HD3 ARG 10 -16.471 -12.410 -0.244 380 HE ARG 10 HE ARG 10 -15.807 -12.690 2.609 381 HH11 ARG 10 HH11 ARG 10 -16.680 -14.117 -0.476 382 HH12 ARG 10 HH12 ARG 10 -16.342 -15.747 0.045 383 HH21 ARG 10 HH21 ARG 10 -15.373 -14.828 3.301 384 HH22 ARG 10 HH22 ARG 10 -15.616 -16.147 2.199 385 H ARG 11 H ARG 11 -14.105 -9.427 -2.532 386 HA ARG 11 HA ARG 11 -11.907 -10.807 -1.412 387 HB2 ARG 11 HB2 ARG 11 -13.000 -11.469 -3.530 388 HB3 ARG 11 HB3 ARG 11 -12.400 -9.998 -4.284 389 HG2 ARG 11 HG2 ARG 11 -10.099 -10.750 -3.899 390 HG3 ARG 11 HG3 ARG 11 -10.720 -12.246 -3.199 391 HD2 ARG 11 HD2 ARG 11 -10.058 -12.532 -5.542 392 HD3 ARG 11 HD3 ARG 11 -11.780 -12.820 -5.307 393 HE ARG 11 HE ARG 11 -12.251 -10.792 -6.416 394 HH11 ARG 11 HH11 ARG 11 -8.833 -11.548 -6.358 395 HH12 ARG 11 HH12 ARG 11 -8.436 -10.439 -7.639 396 HH21 ARG 11 HH21 ARG 11 -11.729 -9.328 -8.090 397 HH22 ARG 11 HH22 ARG 11 -10.073 -9.172 -8.607 398 H LYS 12 H LYS 12 -12.140 -7.776 -3.281 399 HA LYS 12 HA LYS 12 -9.343 -7.540 -3.528 400 HB2 LYS 12 HB2 LYS 12 -10.945 -6.595 -5.147 401 HB3 LYS 12 HB3 LYS 12 -11.454 -5.423 -3.940 402 HG2 LYS 12 HG2 LYS 12 -9.416 -4.282 -4.018 403 HG3 LYS 12 HG3 LYS 12 -8.593 -5.628 -4.806 404 HD2 LYS 12 HD2 LYS 12 -8.991 -3.819 -6.386 405 HD3 LYS 12 HD3 LYS 12 -9.925 -5.250 -6.829 406 HE2 LYS 12 HE2 LYS 12 -11.912 -4.254 -5.784 407 HE3 LYS 12 HE3 LYS 12 -10.969 -2.816 -5.383 408 HZ1 LYS 12 HZ1 LYS 12 -10.580 -2.474 -7.757 409 HZ2 LYS 12 HZ2 LYS 12 -12.234 -2.455 -7.393 410 HZ3 LYS 12 HZ3 LYS 12 -11.537 -3.825 -8.118 411 H ILE 13 H ILE 13 -11.663 -6.178 -1.217 412 HA ILE 13 HA ILE 13 -9.904 -4.191 -0.258 413 HB ILE 13 HB ILE 13 -11.400 -4.013 1.705 414 HG12 ILE 13 HG12 ILE 13 -13.663 -5.354 1.248 415 HG13 ILE 13 HG13 ILE 13 -12.538 -6.517 0.557 416 HG21 ILE 13 HG21 ILE 13 -13.351 -3.222 0.459 417 HG22 ILE 13 HG22 ILE 13 -12.765 -4.068 -0.973 418 HG23 ILE 13 HG23 ILE 13 -11.832 -2.736 -0.293 419 HD11 ILE 13 HD11 ILE 13 -12.482 -5.450 3.371 420 HD12 ILE 13 HD12 ILE 13 -11.337 -6.604 2.688 421 HD13 ILE 13 HD13 ILE 13 -13.034 -7.047 2.868 422 H ARG 14 H ARG 14 -10.296 -7.573 0.467 423 HA ARG 14 HA ARG 14 -8.988 -7.576 2.970 424 HB2 ARG 14 HB2 ARG 14 -10.394 -9.446 1.828 425 HB3 ARG 14 HB3 ARG 14 -8.884 -9.881 1.038 426 HG2 ARG 14 HG2 ARG 14 -8.135 -9.681 3.662 427 HG3 ARG 14 HG3 ARG 14 -9.770 -10.338 3.774 428 HD2 ARG 14 HD2 ARG 14 -8.320 -12.200 3.645 429 HD3 ARG 14 HD3 ARG 14 -9.064 -12.047 2.053 430 HE ARG 14 HE ARG 14 -7.012 -11.325 1.170 431 HH11 ARG 14 HH11 ARG 14 -6.818 -12.059 4.589 432 HH12 ARG 14 HH12 ARG 14 -5.079 -12.066 4.621 433 HH21 ARG 14 HH21 ARG 14 -4.708 -11.359 1.214 434 HH22 ARG 14 HH22 ARG 14 -3.890 -11.697 2.710 435 H SER 15 H SER 15 -7.931 -7.968 -0.366 436 HA SER 15 HA SER 15 -5.246 -8.575 0.145 437 HB2 SER 15 HB2 SER 15 -6.313 -7.088 -2.263 438 HB3 SER 15 HB3 SER 15 -4.886 -8.124 -2.182 439 HG SER 15 HG SER 15 -6.697 -9.725 -1.430 440 H LEU 16 H LEU 16 -6.973 -5.535 -0.298 441 HA LEU 16 HA LEU 16 -4.738 -3.864 -0.490 442 HB2 LEU 16 HB2 LEU 16 -7.536 -3.263 0.469 443 HB3 LEU 16 HB3 LEU 16 -6.329 -2.046 0.092 444 HG LEU 16 HG LEU 16 -7.555 -3.999 -1.862 445 HD11 LEU 16 HD11 LEU 16 -7.881 -1.017 -1.575 446 HD12 LEU 16 HD12 LEU 16 -9.089 -2.235 -1.166 447 HD13 LEU 16 HD13 LEU 16 -8.586 -2.020 -2.843 448 HD21 LEU 16 HD21 LEU 16 -6.332 -2.781 -3.572 449 HD22 LEU 16 HD22 LEU 16 -5.221 -3.491 -2.400 450 HD23 LEU 16 HD23 LEU 16 -5.585 -1.766 -2.337 451 H GLN 17 H GLN 17 -6.571 -5.047 2.282 452 HA GLN 17 HA GLN 17 -5.494 -3.356 4.225 453 HB2 GLN 17 HB2 GLN 17 -6.435 -6.218 4.486 454 HB3 GLN 17 HB3 GLN 17 -6.130 -5.133 5.835 455 HG2 GLN 17 HG2 GLN 17 -7.881 -3.632 5.011 456 HG3 GLN 17 HG3 GLN 17 -8.202 -4.749 3.688 457 HE21 GLN 17 HE21 GLN 17 -9.958 -3.818 5.814 458 HE22 GLN 17 HE22 GLN 17 -10.516 -5.235 6.640 459 H GLU 18 H GLU 18 -4.473 -6.606 3.206 460 HA GLU 18 HA GLU 18 -2.249 -6.779 4.902 461 HB2 GLU 18 HB2 GLU 18 -3.481 -8.601 3.499 462 HB3 GLU 18 HB3 GLU 18 -2.375 -8.130 2.220 463 HG2 GLU 18 HG2 GLU 18 -1.396 -8.957 4.930 464 HG3 GLU 18 HG3 GLU 18 -1.752 -10.130 3.669 465 H GLN 19 H GLN 19 -2.645 -5.648 1.582 466 HA GLN 19 HA GLN 19 -0.011 -5.215 0.881 467 HB2 GLN 19 HB2 GLN 19 -1.885 -5.034 -0.693 468 HB3 GLN 19 HB3 GLN 19 -2.443 -3.580 0.125 469 HG2 GLN 19 HG2 GLN 19 -1.279 -3.017 -1.914 470 HG3 GLN 19 HG3 GLN 19 -0.386 -2.432 -0.514 471 HE21 GLN 19 HE21 GLN 19 1.578 -3.396 0.023 472 HE22 GLN 19 HE22 GLN 19 2.431 -4.410 -1.087 473 H ASN 20 H ASN 20 -2.255 -3.066 2.580 474 HA ASN 20 HA ASN 20 -0.559 -0.842 2.716 475 HB2 ASN 20 HB2 ASN 20 -2.991 -1.718 4.203 476 HB3 ASN 20 HB3 ASN 20 -2.036 -0.401 4.872 477 HD21 ASN 20 HD21 ASN 20 -4.081 -1.426 2.249 478 HD22 ASN 20 HD22 ASN 20 -4.340 0.152 1.585 479 H TYR 21 H TYR 21 -1.195 -3.406 5.115 480 HA TYR 21 HA TYR 21 0.594 -2.383 7.023 481 HB2 TYR 21 HB2 TYR 21 -1.111 -3.950 7.730 482 HB3 TYR 21 HB3 TYR 21 -0.466 -5.195 6.661 483 HD1 TYR 21 HD1 TYR 21 0.410 -3.110 9.618 484 HD2 TYR 21 HD2 TYR 21 1.193 -6.681 7.435 485 HE1 TYR 21 HE1 TYR 21 1.923 -3.863 11.402 486 HE2 TYR 21 HE2 TYR 21 2.713 -7.439 9.217 487 HH TYR 21 HH TYR 21 4.121 -6.347 11.018 488 H HIS 22 H HIS 22 0.975 -4.596 4.335 489 HA HIS 22 HA HIS 22 3.427 -5.715 4.978 490 HB2 HIS 22 HB2 HIS 22 1.718 -6.061 2.950 491 HB3 HIS 22 HB3 HIS 22 2.884 -5.025 2.132 492 HD1 HIS 22 HD1 HIS 22 2.332 -8.455 3.335 493 HD2 HIS 22 HD2 HIS 22 5.511 -6.174 1.916 494 HE1 HIS 22 HE1 HIS 22 4.160 -10.099 2.782 495 HE2 HIS 22 HE2 HIS 22 6.127 -8.677 2.107 496 H LEU 23 H LEU 23 2.650 -2.689 3.324 497 HA LEU 23 HA LEU 23 5.350 -2.001 2.770 498 HB2 LEU 23 HB2 LEU 23 2.884 -0.267 2.936 499 HB3 LEU 23 HB3 LEU 23 4.428 0.232 2.269 500 HG LEU 23 HG LEU 23 2.714 -1.992 1.151 501 HD11 LEU 23 HD11 LEU 23 3.110 0.837 0.192 502 HD12 LEU 23 HD12 LEU 23 1.625 0.159 0.860 503 HD13 LEU 23 HD13 LEU 23 2.252 -0.430 -0.681 504 HD21 LEU 23 HD21 LEU 23 5.188 -0.649 0.070 505 HD22 LEU 23 HD22 LEU 23 4.233 -1.879 -0.757 506 HD23 LEU 23 HD23 LEU 23 5.101 -2.285 0.722 507 H GLU 24 H GLU 24 3.021 -1.090 5.262 508 HA GLU 24 HA GLU 24 4.550 0.719 6.706 509 HB2 GLU 24 HB2 GLU 24 2.176 0.412 7.107 510 HB3 GLU 24 HB3 GLU 24 2.443 -1.247 7.619 511 HG2 GLU 24 HG2 GLU 24 2.033 0.134 9.532 512 HG3 GLU 24 HG3 GLU 24 3.704 -0.424 9.558 513 H ASN 25 H ASN 25 4.255 -2.789 7.055 514 HA ASN 25 HA ASN 25 5.881 -3.122 9.283 515 HB2 ASN 25 HB2 ASN 25 4.393 -4.870 8.366 516 HB3 ASN 25 HB3 ASN 25 5.453 -5.031 6.969 517 HD21 ASN 25 HD21 ASN 25 7.417 -6.095 7.186 518 HD22 ASN 25 HD22 ASN 25 7.818 -7.017 8.605 519 H GLU 26 H GLU 26 6.686 -3.291 5.830 520 HA GLU 26 HA GLU 26 9.376 -3.979 6.220 521 HB2 GLU 26 HB2 GLU 26 7.676 -3.293 3.956 522 HB3 GLU 26 HB3 GLU 26 9.320 -2.690 3.776 523 HG2 GLU 26 HG2 GLU 26 9.232 -4.834 2.774 524 HG3 GLU 26 HG3 GLU 26 10.139 -4.989 4.277 525 H VAL 27 H VAL 27 7.845 -0.812 5.578 526 HA VAL 27 HA VAL 27 10.259 0.585 5.341 527 HB VAL 27 HB VAL 27 8.066 1.496 4.601 528 HG11 VAL 27 HG11 VAL 27 6.674 0.915 6.482 529 HG12 VAL 27 HG12 VAL 27 6.636 2.661 6.220 530 HG13 VAL 27 HG13 VAL 27 7.601 1.985 7.533 531 HG21 VAL 27 HG21 VAL 27 8.513 3.821 5.248 532 HG22 VAL 27 HG22 VAL 27 9.979 2.959 4.778 533 HG23 VAL 27 HG23 VAL 27 9.633 3.246 6.484 534 H ALA 28 H ALA 28 8.270 -0.205 8.136 535 HA ALA 28 HA ALA 28 9.653 1.322 10.043 536 HB1 ALA 28 HB1 ALA 28 8.611 -0.158 11.689 537 HB2 ALA 28 HB2 ALA 28 8.142 -1.264 10.397 538 HB3 ALA 28 HB3 ALA 28 7.450 0.356 10.463 539 H ARG 29 H ARG 29 9.974 -2.058 9.023 540 HA ARG 29 HA ARG 29 12.018 -2.778 10.795 541 HB2 ARG 29 HB2 ARG 29 10.528 -4.269 9.311 542 HB3 ARG 29 HB3 ARG 29 11.672 -3.916 8.023 543 HG2 ARG 29 HG2 ARG 29 13.481 -4.835 9.452 544 HG3 ARG 29 HG3 ARG 29 12.251 -5.316 10.624 545 HD2 ARG 29 HD2 ARG 29 11.157 -6.461 8.542 546 HD3 ARG 29 HD3 ARG 29 12.790 -6.366 7.882 547 HE ARG 29 HE ARG 29 12.428 -7.575 10.524 548 HH11 ARG 29 HH11 ARG 29 13.210 -7.955 7.120 549 HH12 ARG 29 HH12 ARG 29 13.696 -9.612 7.301 550 HH21 ARG 29 HH21 ARG 29 13.083 -9.747 10.742 551 HH22 ARG 29 HH22 ARG 29 13.635 -10.618 9.344 552 H LEU 30 H LEU 30 12.090 -1.574 7.465 553 HA LEU 30 HA LEU 30 14.853 -1.857 7.093 554 HB2 LEU 30 HB2 LEU 30 12.643 -0.488 5.682 555 HB3 LEU 30 HB3 LEU 30 14.267 0.066 5.329 556 HG LEU 30 HG LEU 30 14.913 -2.179 4.615 557 HD11 LEU 30 HD11 LEU 30 12.053 -2.973 5.123 558 HD12 LEU 30 HD12 LEU 30 13.428 -3.445 6.120 559 HD13 LEU 30 HD13 LEU 30 13.328 -3.985 4.443 560 HD21 LEU 30 HD21 LEU 30 14.022 -0.684 2.944 561 HD22 LEU 30 HD22 LEU 30 12.375 -1.175 3.341 562 HD23 LEU 30 HD23 LEU 30 13.489 -2.332 2.615 563 H LYS 31 H LYS 31 12.920 0.980 8.110 564 HA LYS 31 HA LYS 31 15.159 2.698 8.100 565 HB2 LYS 31 HB2 LYS 31 13.765 4.291 9.315 566 HB3 LYS 31 HB3 LYS 31 12.890 3.588 7.968 567 HG2 LYS 31 HG2 LYS 31 11.296 3.607 9.605 568 HG3 LYS 31 HG3 LYS 31 11.941 1.974 9.775 569 HD2 LYS 31 HD2 LYS 31 13.287 2.648 11.653 570 HD3 LYS 31 HD3 LYS 31 12.835 4.340 11.419 571 HE2 LYS 31 HE2 LYS 31 10.503 3.778 11.898 572 HE3 LYS 31 HE3 LYS 31 10.957 2.090 12.134 573 HZ1 LYS 31 HZ1 LYS 31 10.711 3.524 14.187 574 HZ2 LYS 31 HZ2 LYS 31 12.168 4.268 13.733 575 HZ3 LYS 31 HZ3 LYS 31 12.131 2.606 14.067 576 H LYS 32 H LYS 32 13.783 0.539 10.477 577 HA LYS 32 HA LYS 32 15.401 1.415 12.645 578 HB2 LYS 32 HB2 LYS 32 13.398 0.186 13.113 579 HB3 LYS 32 HB3 LYS 32 13.908 -1.156 12.101 580 HG2 LYS 32 HG2 LYS 32 15.753 -0.572 14.287 581 HG3 LYS 32 HG3 LYS 32 14.132 -1.026 14.818 582 HD2 LYS 32 HD2 LYS 32 14.241 -3.052 13.474 583 HD3 LYS 32 HD3 LYS 32 15.835 -2.591 12.878 584 HE2 LYS 32 HE2 LYS 32 15.160 -3.097 15.770 585 HE3 LYS 32 HE3 LYS 32 15.908 -4.275 14.693 586 HZ1 LYS 32 HZ1 LYS 32 17.609 -3.226 15.964 587 HZ2 LYS 32 HZ2 LYS 32 17.052 -1.675 15.563 588 HZ3 LYS 32 HZ3 LYS 32 17.740 -2.667 14.367 589 H LEU 33 H LEU 33 15.850 -0.738 9.969 590 HA LEU 33 HA LEU 33 18.223 -1.986 10.978 591 HB2 LEU 33 HB2 LEU 33 16.659 -3.040 9.343 592 HB3 LEU 33 HB3 LEU 33 17.157 -1.861 8.151 593 HG LEU 33 HG LEU 33 18.151 -4.217 8.017 594 HD11 LEU 33 HD11 LEU 33 18.994 -2.380 6.693 595 HD12 LEU 33 HD12 LEU 33 20.328 -3.376 7.276 596 HD13 LEU 33 HD13 LEU 33 19.982 -1.826 8.045 597 HD21 LEU 33 HD21 LEU 33 20.134 -4.619 9.381 598 HD22 LEU 33 HD22 LEU 33 18.689 -4.474 10.380 599 HD23 LEU 33 HD23 LEU 33 19.826 -3.131 10.276 600 H VAL 34 H VAL 34 17.514 0.609 8.656 601 HA VAL 34 HA VAL 34 20.232 1.050 7.949 602 HB VAL 34 HB VAL 34 18.257 1.740 6.563 603 HG11 VAL 34 HG11 VAL 34 18.095 4.011 8.528 604 HG12 VAL 34 HG12 VAL 34 16.895 2.739 8.297 605 HG13 VAL 34 HG13 VAL 34 17.214 3.895 7.005 606 HG21 VAL 34 HG21 VAL 34 19.280 3.821 5.742 607 HG22 VAL 34 HG22 VAL 34 20.465 2.546 6.014 608 HG23 VAL 34 HG23 VAL 34 20.308 3.864 7.176 609 H GLY 35 H GLY 35 18.335 2.006 10.644 610 HA2 GLY 35 HA2 GLY 35 19.829 4.281 11.452 611 HA3 GLY 35 HA3 GLY 35 18.800 3.298 12.485 612 H GLU 36 H GLU 36 20.405 0.872 11.659 613 HA GLU 36 HA GLU 36 22.492 1.186 13.664 614 HB2 GLU 36 HB2 GLU 36 21.509 -1.250 12.161 615 HB3 GLU 36 HB3 GLU 36 22.765 -1.276 13.390 616 HG2 GLU 36 HG2 GLU 36 19.879 -0.521 13.781 617 HG3 GLU 36 HG3 GLU 36 20.683 -1.985 14.350 618 H ARG 37 H ARG 37 24.394 1.910 13.024 619 HA ARG 37 HA ARG 37 25.336 1.205 10.319 620 HB2 ARG 37 HB2 ARG 37 26.135 3.704 11.798 621 HB3 ARG 37 HB3 ARG 37 26.267 3.366 10.077 622 HG2 ARG 37 HG2 ARG 37 23.813 3.441 9.900 623 HG3 ARG 37 HG3 ARG 37 23.719 3.847 11.613 624 HD2 ARG 37 HD2 ARG 37 23.562 5.904 10.522 625 HD3 ARG 37 HD3 ARG 37 25.244 5.815 11.042 626 HE ARG 37 HE ARG 37 24.703 4.886 8.346 627 HH11 ARG 37 HH11 ARG 37 25.806 7.504 10.403 628 HH12 ARG 37 HH12 ARG 37 26.470 8.416 9.084 629 HH21 ARG 37 HH21 ARG 37 25.567 6.102 6.613 630 HH22 ARG 37 HH22 ARG 37 26.342 7.629 6.950 Start of MODEL 8 1 HA2 GLY 0 HA2 GLY 0 -31.679 15.553 2.653 2 HA3 GLY 0 HA3 GLY 0 -33.346 15.256 2.183 3 H ALA 1 H ALA 1 -30.329 14.235 0.589 4 HA ALA 1 HA ALA 1 -31.288 11.462 0.770 5 HB1 ALA 1 HB1 ALA 1 -29.178 12.655 -1.031 6 HB2 ALA 1 HB2 ALA 1 -30.845 12.304 -1.488 7 HB3 ALA 1 HB3 ALA 1 -29.749 10.988 -1.067 8 H GLY 2 H GLY 2 -29.663 9.772 1.185 9 HA2 GLY 2 HA2 GLY 2 -27.981 10.581 3.415 10 HA3 GLY 2 HA3 GLY 2 -28.344 8.933 2.923 11 H SER 3 H SER 3 -26.828 11.764 1.391 12 HA SER 3 HA SER 3 -24.993 10.171 -0.088 13 HB2 SER 3 HB2 SER 3 -24.864 13.140 0.474 14 HB3 SER 3 HB3 SER 3 -24.095 12.279 -0.861 15 HG SER 3 HG SER 3 -26.027 13.264 -1.546 16 H SER 4 H SER 4 -25.020 11.359 3.092 17 HA SER 4 HA SER 4 -22.348 11.861 3.653 18 HB2 SER 4 HB2 SER 4 -24.333 10.526 5.511 19 HB3 SER 4 HB3 SER 4 -22.922 11.482 5.969 20 HG SER 4 HG SER 4 -23.946 13.272 4.875 21 H SER 5 H SER 5 -24.091 8.785 3.550 22 HA SER 5 HA SER 5 -22.072 7.174 4.649 23 HB2 SER 5 HB2 SER 5 -24.108 6.307 2.593 24 HB3 SER 5 HB3 SER 5 -23.350 5.322 3.846 25 HG SER 5 HG SER 5 -24.432 7.193 5.210 26 H LEU 6 H LEU 6 -22.800 8.100 1.314 27 HA LEU 6 HA LEU 6 -20.883 6.391 0.109 28 HB2 LEU 6 HB2 LEU 6 -22.934 7.548 -0.938 29 HB3 LEU 6 HB3 LEU 6 -21.908 8.958 -1.081 30 HG LEU 6 HG LEU 6 -21.138 6.313 -2.304 31 HD11 LEU 6 HD11 LEU 6 -23.330 6.917 -3.179 32 HD12 LEU 6 HD12 LEU 6 -22.085 7.138 -4.408 33 HD13 LEU 6 HD13 LEU 6 -22.746 8.535 -3.559 34 HD21 LEU 6 HD21 LEU 6 -19.364 7.985 -2.086 35 HD22 LEU 6 HD22 LEU 6 -20.365 9.163 -2.935 36 HD23 LEU 6 HD23 LEU 6 -19.791 7.725 -3.778 37 H GLU 7 H GLU 7 -20.870 9.820 1.010 38 HA GLU 7 HA GLU 7 -18.294 10.418 0.035 39 HB2 GLU 7 HB2 GLU 7 -19.916 12.164 0.583 40 HB3 GLU 7 HB3 GLU 7 -19.862 11.711 2.280 41 HG2 GLU 7 HG2 GLU 7 -18.574 13.722 1.862 42 HG3 GLU 7 HG3 GLU 7 -17.539 12.408 2.411 43 H ALA 8 H ALA 8 -19.427 9.240 3.171 44 HA ALA 8 HA ALA 8 -17.003 9.401 4.565 45 HB1 ALA 8 HB1 ALA 8 -19.167 8.958 5.646 46 HB2 ALA 8 HB2 ALA 8 -17.944 7.772 6.098 47 HB3 ALA 8 HB3 ALA 8 -19.186 7.351 4.921 48 H VAL 9 H VAL 9 -18.396 6.675 2.736 49 HA VAL 9 HA VAL 9 -16.213 4.928 3.053 50 HB VAL 9 HB VAL 9 -18.186 5.095 0.765 51 HG11 VAL 9 HG11 VAL 9 -16.210 3.831 0.118 52 HG12 VAL 9 HG12 VAL 9 -17.595 2.762 0.322 53 HG13 VAL 9 HG13 VAL 9 -16.352 2.839 1.570 54 HG21 VAL 9 HG21 VAL 9 -18.195 3.386 3.252 55 HG22 VAL 9 HG22 VAL 9 -19.368 3.303 1.938 56 HG23 VAL 9 HG23 VAL 9 -19.258 4.757 2.930 57 H ARG 10 H ARG 10 -17.021 7.171 0.410 58 HA ARG 10 HA ARG 10 -14.834 6.721 -1.243 59 HB2 ARG 10 HB2 ARG 10 -16.664 8.078 -2.006 60 HB3 ARG 10 HB3 ARG 10 -16.404 9.252 -0.723 61 HG2 ARG 10 HG2 ARG 10 -14.161 9.724 -1.751 62 HG3 ARG 10 HG3 ARG 10 -14.658 8.723 -3.115 63 HD2 ARG 10 HD2 ARG 10 -16.233 11.097 -2.140 64 HD3 ARG 10 HD3 ARG 10 -15.002 11.203 -3.395 65 HE ARG 10 HE ARG 10 -16.467 9.409 -4.533 66 HH11 ARG 10 HH11 ARG 10 -17.697 11.979 -2.483 67 HH12 ARG 10 HH12 ARG 10 -19.166 12.163 -3.400 68 HH21 ARG 10 HH21 ARG 10 -18.410 9.640 -5.711 69 HH22 ARG 10 HH22 ARG 10 -19.577 10.830 -5.208 70 H ARG 11 H ARG 11 -15.168 8.973 1.464 71 HA ARG 11 HA ARG 11 -12.705 10.258 1.250 72 HB2 ARG 11 HB2 ARG 11 -14.594 10.964 2.713 73 HB3 ARG 11 HB3 ARG 11 -14.223 9.625 3.786 74 HG2 ARG 11 HG2 ARG 11 -13.330 11.704 4.653 75 HG3 ARG 11 HG3 ARG 11 -12.025 10.589 4.239 76 HD2 ARG 11 HD2 ARG 11 -11.616 12.947 3.540 77 HD3 ARG 11 HD3 ARG 11 -11.562 11.778 2.219 78 HE ARG 11 HE ARG 11 -14.043 12.546 1.958 79 HH11 ARG 11 HH11 ARG 11 -11.311 14.564 2.798 80 HH12 ARG 11 HH12 ARG 11 -11.958 15.974 2.017 81 HH21 ARG 11 HH21 ARG 11 -14.900 14.380 0.935 82 HH22 ARG 11 HH22 ARG 11 -14.006 15.883 0.983 83 H LYS 12 H LYS 12 -13.604 7.372 3.130 84 HA LYS 12 HA LYS 12 -11.003 7.105 4.267 85 HB2 LYS 12 HB2 LYS 12 -13.149 6.267 5.289 86 HB3 LYS 12 HB3 LYS 12 -13.131 4.972 4.102 87 HG2 LYS 12 HG2 LYS 12 -12.265 4.184 6.216 88 HG3 LYS 12 HG3 LYS 12 -10.986 4.188 5.003 89 HD2 LYS 12 HD2 LYS 12 -11.313 6.574 6.772 90 HD3 LYS 12 HD3 LYS 12 -10.558 5.123 7.430 91 HE2 LYS 12 HE2 LYS 12 -8.867 5.172 5.708 92 HE3 LYS 12 HE3 LYS 12 -9.666 6.529 4.916 93 HZ1 LYS 12 HZ1 LYS 12 -7.752 7.227 6.227 94 HZ2 LYS 12 HZ2 LYS 12 -8.458 6.598 7.635 95 HZ3 LYS 12 HZ3 LYS 12 -9.183 7.905 6.832 96 H ILE 13 H ILE 13 -12.662 5.510 1.533 97 HA ILE 13 HA ILE 13 -10.526 3.680 1.078 98 HB ILE 13 HB ILE 13 -11.525 3.199 -1.090 99 HG12 ILE 13 HG12 ILE 13 -13.473 5.430 -0.459 100 HG13 ILE 13 HG13 ILE 13 -12.210 5.499 -1.682 101 HG21 ILE 13 HG21 ILE 13 -12.416 2.110 0.881 102 HG22 ILE 13 HG22 ILE 13 -13.703 2.402 -0.291 103 HG23 ILE 13 HG23 ILE 13 -13.548 3.439 1.129 104 HD11 ILE 13 HD11 ILE 13 -14.399 5.048 -2.650 105 HD12 ILE 13 HD12 ILE 13 -14.528 3.583 -1.678 106 HD13 ILE 13 HD13 ILE 13 -13.282 3.710 -2.920 107 H ARG 14 H ARG 14 -11.264 6.913 -0.135 108 HA ARG 14 HA ARG 14 -9.154 7.078 -1.999 109 HB2 ARG 14 HB2 ARG 14 -10.844 8.785 -2.013 110 HB3 ARG 14 HB3 ARG 14 -10.516 9.203 -0.337 111 HG2 ARG 14 HG2 ARG 14 -8.321 10.046 -0.962 112 HG3 ARG 14 HG3 ARG 14 -8.622 9.603 -2.641 113 HD2 ARG 14 HD2 ARG 14 -10.409 11.193 -2.803 114 HD3 ARG 14 HD3 ARG 14 -10.323 11.531 -1.073 115 HE ARG 14 HE ARG 14 -8.425 12.823 -1.417 116 HH11 ARG 14 HH11 ARG 14 -9.438 11.285 -4.401 117 HH12 ARG 14 HH12 ARG 14 -8.397 12.241 -5.400 118 HH21 ARG 14 HH21 ARG 14 -7.065 14.090 -2.728 119 HH22 ARG 14 HH22 ARG 14 -7.037 13.840 -4.449 120 H SER 15 H SER 15 -9.338 7.997 1.416 121 HA SER 15 HA SER 15 -6.738 8.819 1.837 122 HB2 SER 15 HB2 SER 15 -8.369 9.106 3.560 123 HB3 SER 15 HB3 SER 15 -8.686 7.376 3.643 124 HG SER 15 HG SER 15 -6.123 8.441 4.213 125 H LEU 16 H LEU 16 -8.055 5.517 2.052 126 HA LEU 16 HA LEU 16 -5.652 4.256 2.786 127 HB2 LEU 16 HB2 LEU 16 -8.031 3.155 1.287 128 HB3 LEU 16 HB3 LEU 16 -6.739 2.175 1.953 129 HG LEU 16 HG LEU 16 -8.618 3.907 3.561 130 HD11 LEU 16 HD11 LEU 16 -9.531 1.767 4.352 131 HD12 LEU 16 HD12 LEU 16 -8.499 0.916 3.204 132 HD13 LEU 16 HD13 LEU 16 -9.766 1.993 2.617 133 HD21 LEU 16 HD21 LEU 16 -6.515 1.938 4.456 134 HD22 LEU 16 HD22 LEU 16 -7.627 2.825 5.499 135 HD23 LEU 16 HD23 LEU 16 -6.399 3.693 4.577 136 H GLN 17 H GLN 17 -7.155 4.638 -0.429 137 HA GLN 17 HA GLN 17 -5.120 3.198 -1.774 138 HB2 GLN 17 HB2 GLN 17 -7.108 5.184 -2.883 139 HB3 GLN 17 HB3 GLN 17 -6.120 4.095 -3.845 140 HG2 GLN 17 HG2 GLN 17 -7.203 2.182 -2.714 141 HG3 GLN 17 HG3 GLN 17 -8.250 3.320 -1.871 142 HE21 GLN 17 HE21 GLN 17 -9.803 4.474 -3.060 143 HE22 GLN 17 HE22 GLN 17 -10.337 3.929 -4.610 144 H GLU 18 H GLU 18 -5.643 6.677 -1.259 145 HA GLU 18 HA GLU 18 -3.440 7.492 -2.855 146 HB2 GLU 18 HB2 GLU 18 -5.342 8.963 -2.142 147 HB3 GLU 18 HB3 GLU 18 -4.658 8.977 -0.522 148 HG2 GLU 18 HG2 GLU 18 -2.612 9.998 -1.404 149 HG3 GLU 18 HG3 GLU 18 -3.322 10.003 -3.018 150 H GLN 19 H GLN 19 -3.808 6.625 0.534 151 HA GLN 19 HA GLN 19 -1.202 7.317 1.370 152 HB2 GLN 19 HB2 GLN 19 -3.063 6.805 2.927 153 HB3 GLN 19 HB3 GLN 19 -2.991 5.121 2.431 154 HG2 GLN 19 HG2 GLN 19 -1.878 5.457 4.556 155 HG3 GLN 19 HG3 GLN 19 -0.736 4.938 3.317 156 HE21 GLN 19 HE21 GLN 19 0.838 6.359 2.606 157 HE22 GLN 19 HE22 GLN 19 1.222 7.820 3.451 158 H ASN 20 H ASN 20 -2.588 4.278 0.160 159 HA ASN 20 HA ASN 20 -0.214 2.764 0.202 160 HB2 ASN 20 HB2 ASN 20 -2.796 2.561 -1.298 161 HB3 ASN 20 HB3 ASN 20 -1.445 1.540 -1.783 162 HD21 ASN 20 HD21 ASN 20 -3.763 2.242 0.718 163 HD22 ASN 20 HD22 ASN 20 -3.500 0.792 1.629 164 H TYR 21 H TYR 21 -1.560 4.959 -2.174 165 HA TYR 21 HA TYR 21 0.244 4.510 -4.269 166 HB2 TYR 21 HB2 TYR 21 -1.879 5.847 -4.367 167 HB3 TYR 21 HB3 TYR 21 -1.052 7.135 -3.505 168 HD1 TYR 21 HD1 TYR 21 -1.048 5.183 -6.648 169 HD2 TYR 21 HD2 TYR 21 0.300 8.689 -4.658 170 HE1 TYR 21 HE1 TYR 21 -0.275 6.094 -8.795 171 HE2 TYR 21 HE2 TYR 21 1.081 9.613 -6.797 172 HH TYR 21 HH TYR 21 1.789 8.767 -9.011 173 H HIS 22 H HIS 22 0.327 6.897 -1.638 174 HA HIS 22 HA HIS 22 2.841 8.008 -2.266 175 HB2 HIS 22 HB2 HIS 22 1.098 8.946 -0.649 176 HB3 HIS 22 HB3 HIS 22 1.716 7.793 0.527 177 HD1 HIS 22 HD1 HIS 22 4.270 8.163 1.303 178 HD2 HIS 22 HD2 HIS 22 2.575 11.225 -0.958 179 HE1 HIS 22 HE1 HIS 22 5.777 10.146 1.600 180 HE2 HIS 22 HE2 HIS 22 4.739 11.991 0.230 181 H LEU 23 H LEU 23 1.892 5.434 0.001 182 HA LEU 23 HA LEU 23 4.452 4.940 1.033 183 HB2 LEU 23 HB2 LEU 23 2.067 3.114 0.761 184 HB3 LEU 23 HB3 LEU 23 3.529 2.669 1.622 185 HG LEU 23 HG LEU 23 1.704 4.965 2.334 186 HD11 LEU 23 HD11 LEU 23 2.128 2.287 3.652 187 HD12 LEU 23 HD12 LEU 23 0.683 2.808 2.785 188 HD13 LEU 23 HD13 LEU 23 1.141 3.604 4.289 189 HD21 LEU 23 HD21 LEU 23 4.143 3.872 3.735 190 HD22 LEU 23 HD22 LEU 23 3.071 5.126 4.360 191 HD23 LEU 23 HD23 LEU 23 4.026 5.427 2.908 192 H GLU 24 H GLU 24 2.857 3.715 -1.856 193 HA GLU 24 HA GLU 24 4.713 1.686 -2.472 194 HB2 GLU 24 HB2 GLU 24 2.443 2.004 -3.507 195 HB3 GLU 24 HB3 GLU 24 3.123 3.329 -4.444 196 HG2 GLU 24 HG2 GLU 24 4.751 1.738 -5.416 197 HG3 GLU 24 HG3 GLU 24 3.936 0.436 -4.552 198 H ASN 25 H ASN 25 4.495 5.072 -3.530 199 HA ASN 25 HA ASN 25 6.931 5.048 -5.004 200 HB2 ASN 25 HB2 ASN 25 5.198 6.746 -5.371 201 HB3 ASN 25 HB3 ASN 25 5.435 7.356 -3.737 202 HD21 ASN 25 HD21 ASN 25 6.786 7.097 -6.924 203 HD22 ASN 25 HD22 ASN 25 7.956 8.366 -6.746 204 H GLU 26 H GLU 26 6.066 5.822 -1.713 205 HA GLU 26 HA GLU 26 8.484 6.922 -0.828 206 HB2 GLU 26 HB2 GLU 26 6.190 6.940 0.272 207 HB3 GLU 26 HB3 GLU 26 6.545 5.314 0.831 208 HG2 GLU 26 HG2 GLU 26 8.302 6.064 2.204 209 HG3 GLU 26 HG3 GLU 26 8.305 7.661 1.451 210 H VAL 27 H VAL 27 7.239 3.581 -0.524 211 HA VAL 27 HA VAL 27 9.626 2.578 0.627 212 HB VAL 27 HB VAL 27 7.373 1.466 0.793 213 HG11 VAL 27 HG11 VAL 27 8.032 0.490 -1.979 214 HG12 VAL 27 HG12 VAL 27 6.717 1.581 -1.545 215 HG13 VAL 27 HG13 VAL 27 6.707 -0.085 -0.965 216 HG21 VAL 27 HG21 VAL 27 9.409 0.350 1.502 217 HG22 VAL 27 HG22 VAL 27 9.679 -0.238 -0.140 218 HG23 VAL 27 HG23 VAL 27 8.287 -0.806 0.784 219 H ALA 28 H ALA 28 8.566 3.050 -2.677 220 HA ALA 28 HA ALA 28 10.488 1.493 -4.002 221 HB1 ALA 28 HB1 ALA 28 9.289 4.123 -4.870 222 HB2 ALA 28 HB2 ALA 28 8.605 2.525 -5.160 223 HB3 ALA 28 HB3 ALA 28 10.133 2.979 -5.915 224 H ARG 29 H ARG 29 10.594 4.839 -2.856 225 HA ARG 29 HA ARG 29 13.229 5.396 -3.683 226 HB2 ARG 29 HB2 ARG 29 11.565 6.542 -1.437 227 HB3 ARG 29 HB3 ARG 29 13.136 7.179 -1.901 228 HG2 ARG 29 HG2 ARG 29 10.761 6.995 -3.744 229 HG3 ARG 29 HG3 ARG 29 11.225 8.440 -2.842 230 HD2 ARG 29 HD2 ARG 29 12.959 7.005 -4.853 231 HD3 ARG 29 HD3 ARG 29 12.033 8.472 -5.173 232 HE ARG 29 HE ARG 29 13.494 9.290 -3.127 233 HH11 ARG 29 HH11 ARG 29 14.437 7.459 -5.976 234 HH12 ARG 29 HH12 ARG 29 16.085 8.010 -5.926 235 HH21 ARG 29 HH21 ARG 29 15.666 10.031 -3.100 236 HH22 ARG 29 HH22 ARG 29 16.775 9.470 -4.317 237 H LEU 30 H LEU 30 11.923 4.059 -0.671 238 HA LEU 30 HA LEU 30 14.399 3.987 0.705 239 HB2 LEU 30 HB2 LEU 30 11.714 2.789 1.107 240 HB3 LEU 30 HB3 LEU 30 13.054 2.065 1.973 241 HG LEU 30 HG LEU 30 13.558 4.237 3.013 242 HD11 LEU 30 HD11 LEU 30 11.993 6.094 2.823 243 HD12 LEU 30 HD12 LEU 30 11.071 5.200 1.615 244 HD13 LEU 30 HD13 LEU 30 12.720 5.714 1.261 245 HD21 LEU 30 HD21 LEU 30 10.700 3.337 3.337 246 HD22 LEU 30 HD22 LEU 30 11.605 4.329 4.480 247 HD23 LEU 30 HD23 LEU 30 12.106 2.668 4.167 248 H LYS 31 H LYS 31 12.667 1.476 -1.159 249 HA LYS 31 HA LYS 31 14.587 -0.538 -0.579 250 HB2 LYS 31 HB2 LYS 31 13.495 -1.886 -2.272 251 HB3 LYS 31 HB3 LYS 31 12.296 -1.098 -1.261 252 HG2 LYS 31 HG2 LYS 31 11.865 0.534 -3.004 253 HG3 LYS 31 HG3 LYS 31 13.127 -0.189 -4.006 254 HD2 LYS 31 HD2 LYS 31 11.888 -2.272 -4.112 255 HD3 LYS 31 HD3 LYS 31 10.646 -1.615 -3.046 256 HE2 LYS 31 HE2 LYS 31 10.057 0.047 -4.708 257 HE3 LYS 31 HE3 LYS 31 11.360 -0.507 -5.759 258 HZ1 LYS 31 HZ1 LYS 31 10.262 -2.617 -6.001 259 HZ2 LYS 31 HZ2 LYS 31 9.176 -1.378 -6.413 260 HZ3 LYS 31 HZ3 LYS 31 9.040 -2.163 -4.914 261 H LYS 32 H LYS 32 14.358 1.901 -3.081 262 HA LYS 32 HA LYS 32 16.517 0.791 -4.628 263 HB2 LYS 32 HB2 LYS 32 14.760 2.269 -5.608 264 HB3 LYS 32 HB3 LYS 32 15.416 3.607 -4.677 265 HG2 LYS 32 HG2 LYS 32 17.581 3.288 -5.849 266 HG3 LYS 32 HG3 LYS 32 16.804 2.068 -6.858 267 HD2 LYS 32 HD2 LYS 32 15.221 3.735 -7.671 268 HD3 LYS 32 HD3 LYS 32 15.968 4.958 -6.638 269 HE2 LYS 32 HE2 LYS 32 18.095 4.630 -7.840 270 HE3 LYS 32 HE3 LYS 32 17.297 3.467 -8.898 271 HZ1 LYS 32 HZ1 LYS 32 17.395 5.597 -9.958 272 HZ2 LYS 32 HZ2 LYS 32 16.656 6.354 -8.640 273 HZ3 LYS 32 HZ3 LYS 32 15.776 5.254 -9.591 274 H LEU 33 H LEU 33 16.151 2.931 -1.942 275 HA LEU 33 HA LEU 33 18.739 4.104 -2.025 276 HB2 LEU 33 HB2 LEU 33 16.813 5.064 -0.798 277 HB3 LEU 33 HB3 LEU 33 16.890 3.727 0.332 278 HG LEU 33 HG LEU 33 19.195 4.477 0.960 279 HD11 LEU 33 HD11 LEU 33 18.452 6.872 -0.706 280 HD12 LEU 33 HD12 LEU 33 19.708 5.695 -1.088 281 HD13 LEU 33 HD13 LEU 33 19.873 6.732 0.330 282 HD21 LEU 33 HD21 LEU 33 17.263 5.050 2.330 283 HD22 LEU 33 HD22 LEU 33 16.955 6.465 1.325 284 HD23 LEU 33 HD23 LEU 33 18.418 6.382 2.303 285 H VAL 34 H VAL 34 17.345 1.453 -0.097 286 HA VAL 34 HA VAL 34 19.860 0.804 1.109 287 HB VAL 34 HB VAL 34 17.732 0.384 2.272 288 HG11 VAL 34 HG11 VAL 34 16.340 -0.282 0.412 289 HG12 VAL 34 HG12 VAL 34 16.339 -1.542 1.649 290 HG13 VAL 34 HG13 VAL 34 17.302 -1.742 0.186 291 HG21 VAL 34 HG21 VAL 34 19.342 -2.103 1.749 292 HG22 VAL 34 HG22 VAL 34 18.259 -1.853 3.116 293 HG23 VAL 34 HG23 VAL 34 19.704 -0.855 2.941 294 H GLY 35 H GLY 35 18.052 -0.346 -1.667 295 HA2 GLY 35 HA2 GLY 35 19.659 -2.695 -2.042 296 HA3 GLY 35 HA3 GLY 35 18.480 -2.042 -3.172 297 H GLU 36 H GLU 36 19.148 -0.078 -4.361 298 HA GLU 36 HA GLU 36 20.507 0.897 -5.887 299 HB2 GLU 36 HB2 GLU 36 21.419 1.778 -3.689 300 HB3 GLU 36 HB3 GLU 36 22.679 0.563 -3.808 301 HG2 GLU 36 HG2 GLU 36 23.354 2.833 -4.557 302 HG3 GLU 36 HG3 GLU 36 23.581 1.571 -5.767 303 H ARG 37 H ARG 37 23.455 0.350 -6.077 304 HA ARG 37 HA ARG 37 23.715 -2.425 -6.723 305 HB2 ARG 37 HB2 ARG 37 22.366 -1.301 -8.629 306 HB3 ARG 37 HB3 ARG 37 23.881 -0.519 -9.048 307 HG2 ARG 37 HG2 ARG 37 24.899 -2.537 -9.633 308 HG3 ARG 37 HG3 ARG 37 23.680 -3.499 -8.793 309 HD2 ARG 37 HD2 ARG 37 23.347 -1.915 -11.337 310 HD3 ARG 37 HD3 ARG 37 23.234 -3.665 -11.131 311 HE ARG 37 HE ARG 37 21.351 -2.065 -9.606 312 HH11 ARG 37 HH11 ARG 37 21.906 -4.000 -12.477 313 HH12 ARG 37 HH12 ARG 37 20.211 -4.243 -12.780 314 HH21 ARG 37 HH21 ARG 37 19.146 -2.400 -9.988 315 HH22 ARG 37 HH22 ARG 37 18.644 -3.357 -11.352 316 HA2 GLY 0 HA2 GLY 0 -15.072 -15.168 -10.097 317 HA3 GLY 0 HA3 GLY 0 -15.896 -14.662 -8.626 318 H ALA 1 H ALA 1 -16.947 -16.836 -9.362 319 HA ALA 1 HA ALA 1 -18.830 -16.795 -11.477 320 HB1 ALA 1 HB1 ALA 1 -19.734 -18.814 -10.472 321 HB2 ALA 1 HB2 ALA 1 -18.830 -18.503 -8.992 322 HB3 ALA 1 HB3 ALA 1 -17.972 -18.870 -10.487 323 H GLY 2 H GLY 2 -20.155 -15.035 -11.425 324 HA2 GLY 2 HA2 GLY 2 -22.231 -14.094 -10.905 325 HA3 GLY 2 HA3 GLY 2 -22.292 -15.075 -9.445 326 H SER 3 H SER 3 -19.597 -14.226 -8.623 327 HA SER 3 HA SER 3 -20.417 -11.863 -7.219 328 HB2 SER 3 HB2 SER 3 -17.966 -12.137 -6.321 329 HB3 SER 3 HB3 SER 3 -19.225 -13.271 -5.830 330 HG SER 3 HG SER 3 -17.831 -14.688 -6.530 331 H SER 4 H SER 4 -20.530 -10.177 -8.605 332 HA SER 4 HA SER 4 -18.256 -9.475 -10.251 333 HB2 SER 4 HB2 SER 4 -20.556 -9.152 -11.113 334 HB3 SER 4 HB3 SER 4 -20.874 -8.013 -9.806 335 HG SER 4 HG SER 4 -19.860 -6.518 -10.876 336 H SER 5 H SER 5 -20.232 -7.485 -8.067 337 HA SER 5 HA SER 5 -18.066 -5.743 -7.508 338 HB2 SER 5 HB2 SER 5 -20.699 -5.966 -6.033 339 HB3 SER 5 HB3 SER 5 -19.623 -4.569 -6.087 340 HG SER 5 HG SER 5 -21.319 -5.607 -8.083 341 H LEU 6 H LEU 6 -19.588 -8.448 -5.888 342 HA LEU 6 HA LEU 6 -18.651 -8.159 -3.313 343 HB2 LEU 6 HB2 LEU 6 -20.277 -9.878 -4.225 344 HB3 LEU 6 HB3 LEU 6 -18.889 -10.784 -4.792 345 HG LEU 6 HG LEU 6 -19.202 -10.090 -1.879 346 HD11 LEU 6 HD11 LEU 6 -21.249 -11.217 -2.577 347 HD12 LEU 6 HD12 LEU 6 -20.262 -12.268 -1.560 348 HD13 LEU 6 HD13 LEU 6 -20.296 -12.508 -3.306 349 HD21 LEU 6 HD21 LEU 6 -17.778 -12.331 -3.317 350 HD22 LEU 6 HD22 LEU 6 -17.820 -12.083 -1.572 351 HD23 LEU 6 HD23 LEU 6 -17.013 -10.908 -2.610 352 H GLU 7 H GLU 7 -17.151 -10.015 -5.957 353 HA GLU 7 HA GLU 7 -14.839 -10.690 -4.530 354 HB2 GLU 7 HB2 GLU 7 -15.515 -11.952 -6.490 355 HB3 GLU 7 HB3 GLU 7 -15.343 -10.530 -7.508 356 HG2 GLU 7 HG2 GLU 7 -12.966 -10.530 -7.215 357 HG3 GLU 7 HG3 GLU 7 -13.070 -11.824 -6.021 358 H ALA 8 H ALA 8 -15.420 -8.182 -6.973 359 HA ALA 8 HA ALA 8 -12.818 -7.246 -7.147 360 HB1 ALA 8 HB1 ALA 8 -14.547 -6.733 -8.783 361 HB2 ALA 8 HB2 ALA 8 -13.781 -5.260 -8.182 362 HB3 ALA 8 HB3 ALA 8 -15.379 -5.726 -7.597 363 H VAL 9 H VAL 9 -15.515 -5.861 -5.259 364 HA VAL 9 HA VAL 9 -13.985 -3.715 -4.276 365 HB VAL 9 HB VAL 9 -16.543 -4.888 -3.178 366 HG11 VAL 9 HG11 VAL 9 -15.392 -3.532 -1.507 367 HG12 VAL 9 HG12 VAL 9 -16.852 -2.727 -2.083 368 HG13 VAL 9 HG13 VAL 9 -15.270 -2.203 -2.661 369 HG21 VAL 9 HG21 VAL 9 -16.090 -2.557 -5.038 370 HG22 VAL 9 HG22 VAL 9 -17.647 -3.087 -4.400 371 HG23 VAL 9 HG23 VAL 9 -16.739 -4.131 -5.495 372 H ARG 10 H ARG 10 -15.041 -6.750 -2.716 373 HA ARG 10 HA ARG 10 -14.037 -6.123 -0.187 374 HB2 ARG 10 HB2 ARG 10 -15.711 -7.951 -0.843 375 HB3 ARG 10 HB3 ARG 10 -14.309 -8.930 -1.247 376 HG2 ARG 10 HG2 ARG 10 -13.499 -8.664 1.074 377 HG3 ARG 10 HG3 ARG 10 -14.979 -7.779 1.455 378 HD2 ARG 10 HD2 ARG 10 -15.285 -10.040 2.153 379 HD3 ARG 10 HD3 ARG 10 -16.273 -9.785 0.714 380 HE ARG 10 HE ARG 10 -13.721 -10.793 -0.001 381 HH11 ARG 10 HH11 ARG 10 -16.753 -11.820 1.438 382 HH12 ARG 10 HH12 ARG 10 -16.577 -13.475 0.928 383 HH21 ARG 10 HH21 ARG 10 -13.478 -12.944 -0.644 384 HH22 ARG 10 HH22 ARG 10 -14.693 -14.120 -0.248 385 H ARG 11 H ARG 11 -12.599 -7.862 -2.911 386 HA ARG 11 HA ARG 11 -10.286 -8.763 -1.599 387 HB2 ARG 11 HB2 ARG 11 -11.274 -9.401 -3.913 388 HB3 ARG 11 HB3 ARG 11 -10.394 -8.011 -4.516 389 HG2 ARG 11 HG2 ARG 11 -9.109 -10.319 -3.071 390 HG3 ARG 11 HG3 ARG 11 -9.247 -10.197 -4.826 391 HD2 ARG 11 HD2 ARG 11 -8.103 -7.862 -4.424 392 HD3 ARG 11 HD3 ARG 11 -7.558 -8.634 -2.934 393 HE ARG 11 HE ARG 11 -6.990 -9.665 -5.644 394 HH11 ARG 11 HH11 ARG 11 -6.134 -9.336 -2.256 395 HH12 ARG 11 HH12 ARG 11 -4.523 -9.947 -2.486 396 HH21 ARG 11 HH21 ARG 11 -4.885 -10.497 -5.929 397 HH22 ARG 11 HH22 ARG 11 -3.808 -10.605 -4.568 398 H LYS 12 H LYS 12 -10.932 -5.862 -3.543 399 HA LYS 12 HA LYS 12 -8.294 -4.909 -3.538 400 HB2 LYS 12 HB2 LYS 12 -10.276 -4.247 -5.053 401 HB3 LYS 12 HB3 LYS 12 -10.713 -3.133 -3.766 402 HG2 LYS 12 HG2 LYS 12 -8.518 -2.055 -3.967 403 HG3 LYS 12 HG3 LYS 12 -8.114 -3.157 -5.287 404 HD2 LYS 12 HD2 LYS 12 -10.228 -2.291 -6.431 405 HD3 LYS 12 HD3 LYS 12 -10.208 -0.998 -5.229 406 HE2 LYS 12 HE2 LYS 12 -7.993 -1.649 -7.172 407 HE3 LYS 12 HE3 LYS 12 -9.131 -0.314 -7.318 408 HZ1 LYS 12 HZ1 LYS 12 -7.028 0.441 -6.441 409 HZ2 LYS 12 HZ2 LYS 12 -7.117 -0.669 -5.163 410 HZ3 LYS 12 HZ3 LYS 12 -8.230 0.608 -5.258 411 H ILE 13 H ILE 13 -11.104 -4.082 -1.504 412 HA ILE 13 HA ILE 13 -9.782 -2.030 -0.104 413 HB ILE 13 HB ILE 13 -11.591 -2.174 1.551 414 HG12 ILE 13 HG12 ILE 13 -12.541 -4.552 -0.070 415 HG13 ILE 13 HG13 ILE 13 -11.887 -4.624 1.563 416 HG21 ILE 13 HG21 ILE 13 -13.454 -1.663 0.010 417 HG22 ILE 13 HG22 ILE 13 -12.484 -2.287 -1.325 418 HG23 ILE 13 HG23 ILE 13 -11.946 -0.863 -0.437 419 HD11 ILE 13 HD11 ILE 13 -13.775 -3.298 2.369 420 HD12 ILE 13 HD12 ILE 13 -14.301 -4.787 1.583 421 HD13 ILE 13 HD13 ILE 13 -14.429 -3.246 0.733 422 H ARG 14 H ARG 14 -10.052 -5.507 0.449 423 HA ARG 14 HA ARG 14 -8.937 -5.497 3.037 424 HB2 ARG 14 HB2 ARG 14 -10.079 -7.489 2.192 425 HB3 ARG 14 HB3 ARG 14 -8.864 -7.674 0.929 426 HG2 ARG 14 HG2 ARG 14 -7.145 -7.984 2.661 427 HG3 ARG 14 HG3 ARG 14 -8.396 -7.881 3.897 428 HD2 ARG 14 HD2 ARG 14 -9.461 -9.879 3.010 429 HD3 ARG 14 HD3 ARG 14 -8.272 -9.952 1.706 430 HE ARG 14 HE ARG 14 -6.657 -10.016 3.802 431 HH11 ARG 14 HH11 ARG 14 -9.620 -11.810 3.250 432 HH12 ARG 14 HH12 ARG 14 -9.157 -13.125 4.287 433 HH21 ARG 14 HH21 ARG 14 -6.054 -11.708 5.144 434 HH22 ARG 14 HH22 ARG 14 -7.123 -13.062 5.385 435 H SER 15 H SER 15 -7.519 -5.960 -0.181 436 HA SER 15 HA SER 15 -4.908 -6.460 0.505 437 HB2 SER 15 HB2 SER 15 -5.748 -6.612 -1.794 438 HB3 SER 15 HB3 SER 15 -5.938 -4.859 -1.853 439 HG SER 15 HG SER 15 -3.452 -5.331 -1.110 440 H LEU 16 H LEU 16 -6.503 -3.328 0.083 441 HA LEU 16 HA LEU 16 -4.295 -1.671 0.360 442 HB2 LEU 16 HB2 LEU 16 -7.141 -1.199 1.250 443 HB3 LEU 16 HB3 LEU 16 -5.924 0.050 1.074 444 HG LEU 16 HG LEU 16 -6.930 -1.672 -1.192 445 HD11 LEU 16 HD11 LEU 16 -8.700 -0.233 -0.295 446 HD12 LEU 16 HD12 LEU 16 -8.189 0.275 -1.906 447 HD13 LEU 16 HD13 LEU 16 -7.648 1.170 -0.484 448 HD21 LEU 16 HD21 LEU 16 -4.671 -0.805 -1.515 449 HD22 LEU 16 HD22 LEU 16 -5.242 0.826 -1.171 450 HD23 LEU 16 HD23 LEU 16 -5.817 -0.024 -2.605 451 H GLN 17 H GLN 17 -6.584 -2.743 2.870 452 HA GLN 17 HA GLN 17 -5.230 -1.361 4.946 453 HB2 GLN 17 HB2 GLN 17 -7.273 -3.585 5.101 454 HB3 GLN 17 HB3 GLN 17 -6.774 -2.560 6.440 455 HG2 GLN 17 HG2 GLN 17 -7.671 -0.611 5.321 456 HG3 GLN 17 HG3 GLN 17 -8.114 -1.594 3.926 457 HE21 GLN 17 HE21 GLN 17 -10.277 -1.087 4.095 458 HE22 GLN 17 HE22 GLN 17 -11.290 -1.698 5.359 459 H GLU 18 H GLU 18 -5.325 -4.735 3.884 460 HA GLU 18 HA GLU 18 -3.932 -5.796 6.077 461 HB2 GLU 18 HB2 GLU 18 -5.346 -7.087 4.468 462 HB3 GLU 18 HB3 GLU 18 -4.077 -6.901 3.269 463 HG2 GLU 18 HG2 GLU 18 -2.564 -8.213 4.551 464 HG3 GLU 18 HG3 GLU 18 -3.666 -8.232 5.928 465 H GLN 19 H GLN 19 -2.838 -4.717 2.866 466 HA GLN 19 HA GLN 19 -0.149 -5.491 3.328 467 HB2 GLN 19 HB2 GLN 19 -1.090 -5.276 1.061 468 HB3 GLN 19 HB3 GLN 19 -1.259 -3.544 1.299 469 HG2 GLN 19 HG2 GLN 19 0.706 -4.148 -0.047 470 HG3 GLN 19 HG3 GLN 19 1.129 -3.279 1.428 471 HE21 GLN 19 HE21 GLN 19 3.221 -4.074 1.442 472 HE22 GLN 19 HE22 GLN 19 3.592 -5.715 1.829 473 H ASN 20 H ASN 20 -2.043 -2.658 4.034 474 HA ASN 20 HA ASN 20 -0.020 -0.775 4.371 475 HB2 ASN 20 HB2 ASN 20 -2.793 -1.077 5.294 476 HB3 ASN 20 HB3 ASN 20 -1.776 -0.155 6.397 477 HD21 ASN 20 HD21 ASN 20 -1.221 -0.233 2.956 478 HD22 ASN 20 HD22 ASN 20 -1.692 1.399 2.650 479 H TYR 21 H TYR 21 -1.457 -2.947 6.797 480 HA TYR 21 HA TYR 21 0.432 -2.282 8.798 481 HB2 TYR 21 HB2 TYR 21 -1.782 -3.213 9.355 482 HB3 TYR 21 HB3 TYR 21 -1.347 -4.724 8.564 483 HD1 TYR 21 HD1 TYR 21 -0.490 -2.502 11.404 484 HD2 TYR 21 HD2 TYR 21 -0.157 -6.399 9.728 485 HE1 TYR 21 HE1 TYR 21 0.438 -3.329 13.524 486 HE2 TYR 21 HE2 TYR 21 0.772 -7.234 11.845 487 HH TYR 21 HH TYR 21 1.997 -6.292 13.810 488 H HIS 22 H HIS 22 0.204 -4.787 6.341 489 HA HIS 22 HA HIS 22 2.221 -6.487 7.230 490 HB2 HIS 22 HB2 HIS 22 0.548 -6.796 5.283 491 HB3 HIS 22 HB3 HIS 22 1.722 -5.918 4.311 492 HD1 HIS 22 HD1 HIS 22 4.326 -7.128 4.660 493 HD2 HIS 22 HD2 HIS 22 0.870 -9.439 5.003 494 HE1 HIS 22 HE1 HIS 22 5.046 -9.505 4.280 495 HE2 HIS 22 HE2 HIS 22 2.918 -10.859 4.309 496 H LEU 23 H LEU 23 2.372 -3.662 5.080 497 HA LEU 23 HA LEU 23 5.050 -3.876 4.366 498 HB2 LEU 23 HB2 LEU 23 3.404 -2.428 3.239 499 HB3 LEU 23 HB3 LEU 23 3.363 -1.388 4.649 500 HG LEU 23 HG LEU 23 5.753 -0.850 4.287 501 HD11 LEU 23 HD11 LEU 23 6.786 -1.442 2.148 502 HD12 LEU 23 HD12 LEU 23 5.392 -2.450 1.758 503 HD13 LEU 23 HD13 LEU 23 6.429 -2.868 3.124 504 HD21 LEU 23 HD21 LEU 23 4.013 0.617 3.423 505 HD22 LEU 23 HD22 LEU 23 3.944 -0.323 1.931 506 HD23 LEU 23 HD23 LEU 23 5.402 0.584 2.337 507 H GLU 24 H GLU 24 3.530 -2.522 7.227 508 HA GLU 24 HA GLU 24 5.771 -1.041 8.104 509 HB2 GLU 24 HB2 GLU 24 3.418 -2.145 9.651 510 HB3 GLU 24 HB3 GLU 24 4.592 -1.003 10.294 511 HG2 GLU 24 HG2 GLU 24 3.941 0.593 8.524 512 HG3 GLU 24 HG3 GLU 24 2.697 -0.545 8.005 513 H ASN 25 H ASN 25 4.890 -4.373 8.237 514 HA ASN 25 HA ASN 25 6.637 -5.119 10.344 515 HB2 ASN 25 HB2 ASN 25 4.840 -6.611 9.714 516 HB3 ASN 25 HB3 ASN 25 5.430 -6.700 8.059 517 HD21 ASN 25 HD21 ASN 25 7.079 -8.051 7.553 518 HD22 ASN 25 HD22 ASN 25 7.748 -9.201 8.669 519 H GLU 26 H GLU 26 6.908 -4.894 6.837 520 HA GLU 26 HA GLU 26 9.564 -5.895 6.728 521 HB2 GLU 26 HB2 GLU 26 7.847 -4.407 4.746 522 HB3 GLU 26 HB3 GLU 26 9.518 -4.822 4.400 523 HG2 GLU 26 HG2 GLU 26 8.216 -6.488 3.398 524 HG3 GLU 26 HG3 GLU 26 8.889 -7.221 4.852 525 H VAL 27 H VAL 27 8.187 -2.624 6.328 526 HA VAL 27 HA VAL 27 10.592 -1.373 5.740 527 HB VAL 27 HB VAL 27 8.380 -0.383 5.279 528 HG11 VAL 27 HG11 VAL 27 7.190 0.846 7.039 529 HG12 VAL 27 HG12 VAL 27 8.300 0.178 8.236 530 HG13 VAL 27 HG13 VAL 27 7.225 -0.892 7.338 531 HG21 VAL 27 HG21 VAL 27 8.983 1.937 5.793 532 HG22 VAL 27 HG22 VAL 27 10.358 1.012 5.191 533 HG23 VAL 27 HG23 VAL 27 10.219 1.359 6.914 534 H ALA 28 H ALA 28 9.090 -2.001 8.870 535 HA ALA 28 HA ALA 28 10.497 -0.256 10.473 536 HB1 ALA 28 HB1 ALA 28 8.622 -1.650 11.241 537 HB2 ALA 28 HB2 ALA 28 10.021 -1.764 12.307 538 HB3 ALA 28 HB3 ALA 28 9.666 -3.070 11.177 539 H ARG 29 H ARG 29 11.392 -3.545 9.475 540 HA ARG 29 HA ARG 29 13.912 -3.372 10.847 541 HB2 ARG 29 HB2 ARG 29 12.716 -5.472 9.036 542 HB3 ARG 29 HB3 ARG 29 14.355 -5.580 9.659 543 HG2 ARG 29 HG2 ARG 29 13.020 -6.914 11.067 544 HG3 ARG 29 HG3 ARG 29 13.359 -5.437 11.971 545 HD2 ARG 29 HD2 ARG 29 11.167 -4.556 11.364 546 HD3 ARG 29 HD3 ARG 29 10.829 -6.022 10.443 547 HE ARG 29 HE ARG 29 11.404 -6.212 13.320 548 HH11 ARG 29 HH11 ARG 29 9.189 -6.551 10.631 549 HH12 ARG 29 HH12 ARG 29 8.019 -7.462 11.536 550 HH21 ARG 29 HH21 ARG 29 9.838 -7.382 14.536 551 HH22 ARG 29 HH22 ARG 29 8.385 -7.931 13.749 552 H LEU 30 H LEU 30 12.682 -3.156 7.576 553 HA LEU 30 HA LEU 30 14.985 -3.363 6.101 554 HB2 LEU 30 HB2 LEU 30 12.593 -3.184 5.298 555 HB3 LEU 30 HB3 LEU 30 12.725 -1.453 5.516 556 HG LEU 30 HG LEU 30 14.611 -2.940 3.703 557 HD11 LEU 30 HD11 LEU 30 11.920 -1.785 2.984 558 HD12 LEU 30 HD12 LEU 30 12.355 -3.494 2.981 559 HD13 LEU 30 HD13 LEU 30 13.120 -2.389 1.839 560 HD21 LEU 30 HD21 LEU 30 15.214 -0.649 4.310 561 HD22 LEU 30 HD22 LEU 30 13.638 -0.083 3.757 562 HD23 LEU 30 HD23 LEU 30 14.786 -0.762 2.602 563 H LYS 31 H LYS 31 13.510 -0.314 7.262 564 HA LYS 31 HA LYS 31 15.661 1.226 6.258 565 HB2 LYS 31 HB2 LYS 31 14.567 3.128 7.335 566 HB3 LYS 31 HB3 LYS 31 13.407 2.158 6.446 567 HG2 LYS 31 HG2 LYS 31 12.208 2.503 8.340 568 HG3 LYS 31 HG3 LYS 31 13.073 1.050 8.840 569 HD2 LYS 31 HD2 LYS 31 14.789 2.498 9.902 570 HD3 LYS 31 HD3 LYS 31 13.810 3.905 9.486 571 HE2 LYS 31 HE2 LYS 31 11.968 3.008 10.831 572 HE3 LYS 31 HE3 LYS 31 12.961 1.613 11.251 573 HZ1 LYS 31 HZ1 LYS 31 13.419 4.445 12.013 574 HZ2 LYS 31 HZ2 LYS 31 14.581 3.232 12.217 575 HZ3 LYS 31 HZ3 LYS 31 13.102 3.129 13.038 576 H LYS 32 H LYS 32 14.979 -0.283 9.331 577 HA LYS 32 HA LYS 32 16.882 1.337 10.760 578 HB2 LYS 32 HB2 LYS 32 14.870 0.394 11.852 579 HB3 LYS 32 HB3 LYS 32 15.526 -1.222 11.616 580 HG2 LYS 32 HG2 LYS 32 17.480 -0.585 12.993 581 HG3 LYS 32 HG3 LYS 32 16.706 0.970 13.309 582 HD2 LYS 32 HD2 LYS 32 14.833 -0.162 14.370 583 HD3 LYS 32 HD3 LYS 32 15.553 -1.732 13.999 584 HE2 LYS 32 HE2 LYS 32 17.540 -1.049 15.354 585 HE3 LYS 32 HE3 LYS 32 16.648 0.391 15.838 586 HZ1 LYS 32 HZ1 LYS 32 14.985 -0.987 16.870 587 HZ2 LYS 32 HZ2 LYS 32 16.511 -1.426 17.465 588 HZ3 LYS 32 HZ3 LYS 32 15.743 -2.397 16.312 589 H LEU 33 H LEU 33 16.892 -1.758 9.145 590 HA LEU 33 HA LEU 33 19.117 -2.912 10.419 591 HB2 LEU 33 HB2 LEU 33 17.348 -3.932 8.804 592 HB3 LEU 33 HB3 LEU 33 18.435 -3.412 7.536 593 HG LEU 33 HG LEU 33 18.657 -5.818 8.183 594 HD11 LEU 33 HD11 LEU 33 21.089 -5.854 8.208 595 HD12 LEU 33 HD12 LEU 33 21.117 -4.136 8.608 596 HD13 LEU 33 HD13 LEU 33 20.478 -4.670 7.053 597 HD21 LEU 33 HD21 LEU 33 18.281 -5.598 10.572 598 HD22 LEU 33 HD22 LEU 33 19.766 -4.660 10.738 599 HD23 LEU 33 HD23 LEU 33 19.842 -6.356 10.259 600 H VAL 34 H VAL 34 18.883 -0.997 7.433 601 HA VAL 34 HA VAL 34 21.680 -1.122 6.894 602 HB VAL 34 HB VAL 34 20.029 -0.785 5.105 603 HG11 VAL 34 HG11 VAL 34 19.007 1.432 4.775 604 HG12 VAL 34 HG12 VAL 34 19.604 1.917 6.362 605 HG13 VAL 34 HG13 VAL 34 18.423 0.615 6.223 606 HG21 VAL 34 HG21 VAL 34 21.212 0.965 3.874 607 HG22 VAL 34 HG22 VAL 34 22.330 -0.104 4.718 608 HG23 VAL 34 HG23 VAL 34 21.980 1.499 5.368 609 H GLY 35 H GLY 35 19.662 0.987 8.764 610 HA2 GLY 35 HA2 GLY 35 21.679 3.061 8.965 611 HA3 GLY 35 HA3 GLY 35 20.114 3.049 9.763 612 H GLU 36 H GLU 36 19.871 1.441 11.531 613 HA GLU 36 HA GLU 36 20.376 1.000 13.694 614 HB2 GLU 36 HB2 GLU 36 21.593 -0.829 12.376 615 HB3 GLU 36 HB3 GLU 36 23.066 0.074 12.702 616 HG2 GLU 36 HG2 GLU 36 22.830 -1.681 14.317 617 HG3 GLU 36 HG3 GLU 36 22.620 -0.123 15.114 618 H ARG 37 H ARG 37 23.778 1.338 13.328 619 HA ARG 37 HA ARG 37 25.316 2.838 14.024 620 HB2 ARG 37 HB2 ARG 37 23.874 4.065 12.184 621 HB3 ARG 37 HB3 ARG 37 23.418 5.088 13.540 622 HG2 ARG 37 HG2 ARG 37 25.615 5.826 13.864 623 HG3 ARG 37 HG3 ARG 37 26.287 4.526 12.874 624 HD2 ARG 37 HD2 ARG 37 25.026 5.532 10.930 625 HD3 ARG 37 HD3 ARG 37 24.706 6.922 11.966 626 HE ARG 37 HE ARG 37 26.998 7.466 11.921 627 HH11 ARG 37 HH11 ARG 37 26.230 4.679 9.949 628 HH12 ARG 37 HH12 ARG 37 27.712 4.740 9.042 629 HH21 ARG 37 HH21 ARG 37 28.958 7.549 10.746 630 HH22 ARG 37 HH22 ARG 37 29.281 6.349 9.530 Start of MODEL 9 1 HA2 GLY 0 HA2 GLY 0 -30.063 16.771 -5.325 2 HA3 GLY 0 HA3 GLY 0 -30.954 16.665 -3.813 3 H ALA 1 H ALA 1 -29.791 17.071 -2.050 4 HA ALA 1 HA ALA 1 -26.902 16.548 -2.147 5 HB1 ALA 1 HB1 ALA 1 -27.499 18.870 -1.662 6 HB2 ALA 1 HB2 ALA 1 -26.700 18.116 -0.282 7 HB3 ALA 1 HB3 ALA 1 -28.450 18.339 -0.277 8 H GLY 2 H GLY 2 -26.700 14.470 -1.546 9 HA2 GLY 2 HA2 GLY 2 -27.558 13.797 1.175 10 HA3 GLY 2 HA3 GLY 2 -28.085 12.747 -0.137 11 H SER 3 H SER 3 -25.005 14.377 -0.114 12 HA SER 3 HA SER 3 -23.648 11.847 -0.371 13 HB2 SER 3 HB2 SER 3 -23.047 13.892 -1.718 14 HB3 SER 3 HB3 SER 3 -22.428 14.616 -0.236 15 HG SER 3 HG SER 3 -20.645 13.628 -0.720 16 H SER 4 H SER 4 -24.660 11.534 1.951 17 HA SER 4 HA SER 4 -22.870 12.429 4.048 18 HB2 SER 4 HB2 SER 4 -24.378 10.819 5.410 19 HB3 SER 4 HB3 SER 4 -25.106 12.293 4.764 20 HG SER 4 HG SER 4 -26.396 11.104 3.626 21 H SER 5 H SER 5 -24.082 9.189 3.280 22 HA SER 5 HA SER 5 -21.725 7.915 4.256 23 HB2 SER 5 HB2 SER 5 -23.997 6.885 4.333 24 HB3 SER 5 HB3 SER 5 -23.964 6.743 2.575 25 HG SER 5 HG SER 5 -23.042 5.019 4.325 26 H LEU 6 H LEU 6 -22.943 8.841 1.102 27 HA LEU 6 HA LEU 6 -21.136 7.500 -0.551 28 HB2 LEU 6 HB2 LEU 6 -23.195 8.974 -1.119 29 HB3 LEU 6 HB3 LEU 6 -22.069 10.315 -1.072 30 HG LEU 6 HG LEU 6 -21.752 7.937 -2.914 31 HD11 LEU 6 HD11 LEU 6 -22.969 10.640 -3.464 32 HD12 LEU 6 HD12 LEU 6 -23.822 9.095 -3.438 33 HD13 LEU 6 HD13 LEU 6 -22.605 9.410 -4.674 34 HD21 LEU 6 HD21 LEU 6 -20.488 10.680 -2.956 35 HD22 LEU 6 HD22 LEU 6 -20.226 9.391 -4.131 36 HD23 LEU 6 HD23 LEU 6 -19.686 9.189 -2.465 37 H GLU 7 H GLU 7 -20.897 10.717 0.932 38 HA GLU 7 HA GLU 7 -18.314 11.314 -0.047 39 HB2 GLU 7 HB2 GLU 7 -20.166 12.833 1.058 40 HB3 GLU 7 HB3 GLU 7 -19.309 12.437 2.542 41 HG2 GLU 7 HG2 GLU 7 -18.482 14.516 1.721 42 HG3 GLU 7 HG3 GLU 7 -17.228 13.296 1.499 43 H ALA 8 H ALA 8 -19.509 9.822 2.913 44 HA ALA 8 HA ALA 8 -17.136 9.729 4.371 45 HB1 ALA 8 HB1 ALA 8 -18.162 7.949 5.656 46 HB2 ALA 8 HB2 ALA 8 -19.353 7.685 4.384 47 HB3 ALA 8 HB3 ALA 8 -19.357 9.196 5.294 48 H VAL 9 H VAL 9 -18.542 7.182 2.294 49 HA VAL 9 HA VAL 9 -16.353 5.421 2.453 50 HB VAL 9 HB VAL 9 -18.352 5.729 0.202 51 HG11 VAL 9 HG11 VAL 9 -17.769 3.422 -0.382 52 HG12 VAL 9 HG12 VAL 9 -16.529 3.417 0.873 53 HG13 VAL 9 HG13 VAL 9 -16.374 4.493 -0.516 54 HG21 VAL 9 HG21 VAL 9 -19.423 5.278 2.339 55 HG22 VAL 9 HG22 VAL 9 -18.350 3.902 2.603 56 HG23 VAL 9 HG23 VAL 9 -19.522 3.868 1.285 57 H ARG 10 H ARG 10 -17.180 7.914 0.090 58 HA ARG 10 HA ARG 10 -15.113 7.635 -1.735 59 HB2 ARG 10 HB2 ARG 10 -17.040 9.138 -2.011 60 HB3 ARG 10 HB3 ARG 10 -16.424 10.174 -0.735 61 HG2 ARG 10 HG2 ARG 10 -14.428 10.626 -2.147 62 HG3 ARG 10 HG3 ARG 10 -15.196 9.706 -3.447 63 HD2 ARG 10 HD2 ARG 10 -17.149 11.238 -3.287 64 HD3 ARG 10 HD3 ARG 10 -16.252 12.195 -2.113 65 HE ARG 10 HE ARG 10 -14.903 11.822 -4.640 66 HH11 ARG 10 HH11 ARG 10 -16.954 13.851 -2.659 67 HH12 ARG 10 HH12 ARG 10 -16.816 15.236 -3.707 68 HH21 ARG 10 HH21 ARG 10 -14.719 13.641 -6.025 69 HH22 ARG 10 HH22 ARG 10 -15.553 15.113 -5.623 70 H ARG 11 H ARG 11 -15.207 9.676 1.176 71 HA ARG 11 HA ARG 11 -12.608 10.721 0.913 72 HB2 ARG 11 HB2 ARG 11 -14.759 11.130 2.598 73 HB3 ARG 11 HB3 ARG 11 -13.550 10.441 3.671 74 HG2 ARG 11 HG2 ARG 11 -13.038 12.795 1.872 75 HG3 ARG 11 HG3 ARG 11 -13.567 12.933 3.549 76 HD2 ARG 11 HD2 ARG 11 -11.062 11.508 2.666 77 HD3 ARG 11 HD3 ARG 11 -11.108 13.181 3.219 78 HE ARG 11 HE ARG 11 -11.534 10.781 4.856 79 HH11 ARG 11 HH11 ARG 11 -11.309 14.277 4.636 80 HH12 ARG 11 HH12 ARG 11 -11.079 14.488 6.349 81 HH21 ARG 11 HH21 ARG 11 -11.249 11.054 7.079 82 HH22 ARG 11 HH22 ARG 11 -11.024 12.647 7.746 83 H LYS 12 H LYS 12 -13.854 7.918 2.684 84 HA LYS 12 HA LYS 12 -11.524 7.215 4.051 85 HB2 LYS 12 HB2 LYS 12 -13.765 5.487 3.006 86 HB3 LYS 12 HB3 LYS 12 -12.480 4.883 4.040 87 HG2 LYS 12 HG2 LYS 12 -13.165 6.381 5.817 88 HG3 LYS 12 HG3 LYS 12 -14.413 7.071 4.779 89 HD2 LYS 12 HD2 LYS 12 -15.378 5.443 6.313 90 HD3 LYS 12 HD3 LYS 12 -15.504 4.874 4.647 91 HE2 LYS 12 HE2 LYS 12 -13.522 3.469 4.990 92 HE3 LYS 12 HE3 LYS 12 -13.421 4.028 6.657 93 HZ1 LYS 12 HZ1 LYS 12 -15.730 2.550 5.505 94 HZ2 LYS 12 HZ2 LYS 12 -15.544 3.024 7.121 95 HZ3 LYS 12 HZ3 LYS 12 -14.504 1.856 6.452 96 H ILE 13 H ILE 13 -12.722 5.818 0.978 97 HA ILE 13 HA ILE 13 -10.415 4.194 0.716 98 HB ILE 13 HB ILE 13 -11.244 3.676 -1.567 99 HG12 ILE 13 HG12 ILE 13 -13.766 4.517 -1.807 100 HG13 ILE 13 HG13 ILE 13 -13.129 5.895 -0.916 101 HG21 ILE 13 HG21 ILE 13 -11.943 2.385 0.373 102 HG22 ILE 13 HG22 ILE 13 -13.241 2.491 -0.816 103 HG23 ILE 13 HG23 ILE 13 -13.292 3.490 0.636 104 HD11 ILE 13 HD11 ILE 13 -11.434 6.217 -2.658 105 HD12 ILE 13 HD12 ILE 13 -13.076 6.312 -3.297 106 HD13 ILE 13 HD13 ILE 13 -12.114 4.857 -3.553 107 H ARG 14 H ARG 14 -11.202 7.404 -0.481 108 HA ARG 14 HA ARG 14 -9.121 7.366 -2.450 109 HB2 ARG 14 HB2 ARG 14 -11.272 8.813 -2.416 110 HB3 ARG 14 HB3 ARG 14 -10.348 9.887 -1.376 111 HG2 ARG 14 HG2 ARG 14 -10.307 10.553 -3.756 112 HG3 ARG 14 HG3 ARG 14 -8.699 10.228 -3.102 113 HD2 ARG 14 HD2 ARG 14 -8.621 8.091 -4.168 114 HD3 ARG 14 HD3 ARG 14 -10.317 8.196 -4.627 115 HE ARG 14 HE ARG 14 -9.663 10.016 -6.154 116 HH11 ARG 14 HH11 ARG 14 -7.172 7.831 -5.024 117 HH12 ARG 14 HH12 ARG 14 -6.157 8.058 -6.413 118 HH21 ARG 14 HH21 ARG 14 -8.378 10.272 -8.003 119 HH22 ARG 14 HH22 ARG 14 -6.868 9.424 -8.138 120 H SER 15 H SER 15 -9.418 8.567 0.859 121 HA SER 15 HA SER 15 -6.891 9.872 0.891 122 HB2 SER 15 HB2 SER 15 -7.144 9.807 3.379 123 HB3 SER 15 HB3 SER 15 -8.545 10.482 2.551 124 HG SER 15 HG SER 15 -9.682 8.656 2.951 125 H LEU 16 H LEU 16 -7.992 6.623 1.729 126 HA LEU 16 HA LEU 16 -5.551 5.653 2.735 127 HB2 LEU 16 HB2 LEU 16 -7.771 4.193 1.302 128 HB3 LEU 16 HB3 LEU 16 -6.434 3.402 2.113 129 HG LEU 16 HG LEU 16 -8.510 5.139 3.453 130 HD11 LEU 16 HD11 LEU 16 -9.285 3.061 4.462 131 HD12 LEU 16 HD12 LEU 16 -8.100 2.154 3.525 132 HD13 LEU 16 HD13 LEU 16 -9.412 2.998 2.702 133 HD21 LEU 16 HD21 LEU 16 -6.323 5.268 4.544 134 HD22 LEU 16 HD22 LEU 16 -6.261 3.507 4.631 135 HD23 LEU 16 HD23 LEU 16 -7.488 4.392 5.537 136 H GLN 17 H GLN 17 -6.900 5.624 -0.546 137 HA GLN 17 HA GLN 17 -4.820 4.308 -1.851 138 HB2 GLN 17 HB2 GLN 17 -6.736 6.432 -2.795 139 HB3 GLN 17 HB3 GLN 17 -5.577 5.666 -3.873 140 HG2 GLN 17 HG2 GLN 17 -6.580 3.525 -3.532 141 HG3 GLN 17 HG3 GLN 17 -7.635 4.167 -2.272 142 HE21 GLN 17 HE21 GLN 17 -9.470 3.486 -3.378 143 HE22 GLN 17 HE22 GLN 17 -10.045 4.298 -4.789 144 H GLU 18 H GLU 18 -5.255 7.794 -1.291 145 HA GLU 18 HA GLU 18 -2.892 8.660 -2.512 146 HB2 GLU 18 HB2 GLU 18 -4.658 9.801 -0.380 147 HB3 GLU 18 HB3 GLU 18 -3.136 10.591 -0.770 148 HG2 GLU 18 HG2 GLU 18 -5.135 9.924 -2.895 149 HG3 GLU 18 HG3 GLU 18 -5.263 11.398 -1.936 150 H GLN 19 H GLN 19 -3.502 8.015 0.943 151 HA GLN 19 HA GLN 19 -0.924 8.502 1.871 152 HB2 GLN 19 HB2 GLN 19 -2.918 8.152 3.320 153 HB3 GLN 19 HB3 GLN 19 -2.880 6.440 2.917 154 HG2 GLN 19 HG2 GLN 19 -1.889 6.738 5.067 155 HG3 GLN 19 HG3 GLN 19 -0.618 6.302 3.927 156 HE21 GLN 19 HE21 GLN 19 -1.927 8.774 5.957 157 HE22 GLN 19 HE22 GLN 19 -0.590 9.867 5.849 158 H ASN 20 H ASN 20 -2.376 5.465 0.751 159 HA ASN 20 HA ASN 20 -0.139 3.823 1.192 160 HB2 ASN 20 HB2 ASN 20 -2.573 3.611 -0.542 161 HB3 ASN 20 HB3 ASN 20 -1.289 2.416 -0.685 162 HD21 ASN 20 HD21 ASN 20 -1.899 3.914 2.370 163 HD22 ASN 20 HD22 ASN 20 -2.626 2.544 3.133 164 H TYR 21 H TYR 21 -1.229 5.470 -1.771 165 HA TYR 21 HA TYR 21 0.757 4.542 -3.479 166 HB2 TYR 21 HB2 TYR 21 -1.207 5.753 -4.274 167 HB3 TYR 21 HB3 TYR 21 -0.643 7.223 -3.489 168 HD1 TYR 21 HD1 TYR 21 0.039 4.852 -6.244 169 HD2 TYR 21 HD2 TYR 21 0.954 8.646 -4.547 170 HE1 TYR 21 HE1 TYR 21 1.239 5.477 -8.299 171 HE2 TYR 21 HE2 TYR 21 2.152 9.282 -6.597 172 HH TYR 21 HH TYR 21 1.901 7.561 -9.494 173 H HIS 22 H HIS 22 0.788 7.348 -1.310 174 HA HIS 22 HA HIS 22 3.295 8.341 -2.235 175 HB2 HIS 22 HB2 HIS 22 1.969 8.857 0.437 176 HB3 HIS 22 HB3 HIS 22 3.245 9.817 -0.296 177 HD1 HIS 22 HD1 HIS 22 0.752 11.261 0.492 178 HD2 HIS 22 HD2 HIS 22 1.206 9.489 -3.240 179 HE1 HIS 22 HE1 HIS 22 -0.918 12.395 -1.004 180 HE2 HIS 22 HE2 HIS 22 -0.831 11.088 -3.155 181 H LEU 23 H LEU 23 2.307 6.318 0.501 182 HA LEU 23 HA LEU 23 4.913 6.092 1.613 183 HB2 LEU 23 HB2 LEU 23 2.466 4.365 1.955 184 HB3 LEU 23 HB3 LEU 23 3.940 4.182 2.889 185 HG LEU 23 HG LEU 23 2.167 6.630 2.884 186 HD11 LEU 23 HD11 LEU 23 2.576 4.507 4.986 187 HD12 LEU 23 HD12 LEU 23 1.138 4.700 3.987 188 HD13 LEU 23 HD13 LEU 23 1.580 5.952 5.148 189 HD21 LEU 23 HD21 LEU 23 4.525 7.168 3.261 190 HD22 LEU 23 HD22 LEU 23 4.594 5.965 4.551 191 HD23 LEU 23 HD23 LEU 23 3.569 7.391 4.727 192 H GLU 24 H GLU 24 3.051 4.158 -0.673 193 HA GLU 24 HA GLU 24 4.789 1.968 -0.880 194 HB2 GLU 24 HB2 GLU 24 2.440 2.275 -1.873 195 HB3 GLU 24 HB3 GLU 24 3.231 3.125 -3.191 196 HG2 GLU 24 HG2 GLU 24 4.598 1.091 -3.600 197 HG3 GLU 24 HG3 GLU 24 3.636 0.259 -2.378 198 H ASN 25 H ASN 25 4.711 5.072 -2.568 199 HA ASN 25 HA ASN 25 6.955 4.661 -4.217 200 HB2 ASN 25 HB2 ASN 25 5.520 6.521 -4.684 201 HB3 ASN 25 HB3 ASN 25 5.749 7.184 -3.069 202 HD21 ASN 25 HD21 ASN 25 7.178 6.740 -6.215 203 HD22 ASN 25 HD22 ASN 25 8.465 7.881 -6.012 204 H GLU 26 H GLU 26 6.648 5.909 -0.918 205 HA GLU 26 HA GLU 26 9.360 6.700 -0.685 206 HB2 GLU 26 HB2 GLU 26 7.529 7.605 0.714 207 HB3 GLU 26 HB3 GLU 26 7.407 6.048 1.524 208 HG2 GLU 26 HG2 GLU 26 9.597 6.277 2.447 209 HG3 GLU 26 HG3 GLU 26 9.906 7.719 1.480 210 H VAL 27 H VAL 27 7.622 3.766 0.376 211 HA VAL 27 HA VAL 27 9.882 2.614 1.635 212 HB VAL 27 HB VAL 27 7.564 1.878 2.117 213 HG11 VAL 27 HG11 VAL 27 6.447 0.289 0.636 214 HG12 VAL 27 HG12 VAL 27 7.717 0.518 -0.566 215 HG13 VAL 27 HG13 VAL 27 6.658 1.861 -0.135 216 HG21 VAL 27 HG21 VAL 27 8.062 -0.511 2.309 217 HG22 VAL 27 HG22 VAL 27 9.452 0.478 2.757 218 HG23 VAL 27 HG23 VAL 27 9.409 -0.320 1.185 219 H ALA 28 H ALA 28 8.618 2.447 -1.661 220 HA ALA 28 HA ALA 28 10.520 0.564 -2.618 221 HB1 ALA 28 HB1 ALA 28 9.862 1.294 -4.841 222 HB2 ALA 28 HB2 ALA 28 9.053 2.706 -4.159 223 HB3 ALA 28 HB3 ALA 28 8.439 1.086 -3.822 224 H ARG 29 H ARG 29 10.439 4.073 -2.401 225 HA ARG 29 HA ARG 29 12.829 4.692 -3.715 226 HB2 ARG 29 HB2 ARG 29 11.126 6.336 -2.972 227 HB3 ARG 29 HB3 ARG 29 11.609 6.054 -1.308 228 HG2 ARG 29 HG2 ARG 29 13.923 6.820 -1.995 229 HG3 ARG 29 HG3 ARG 29 13.176 7.373 -3.496 230 HD2 ARG 29 HD2 ARG 29 12.586 8.283 -0.689 231 HD3 ARG 29 HD3 ARG 29 13.227 9.237 -2.026 232 HE ARG 29 HE ARG 29 10.782 8.337 -2.892 233 HH11 ARG 29 HH11 ARG 29 11.946 10.271 -0.221 234 HH12 ARG 29 HH12 ARG 29 10.468 11.172 -0.060 235 HH21 ARG 29 HH21 ARG 29 8.818 9.511 -2.666 236 HH22 ARG 29 HH22 ARG 29 8.706 10.738 -1.437 237 H LEU 30 H LEU 30 12.186 3.904 -0.321 238 HA LEU 30 HA LEU 30 14.804 4.260 0.639 239 HB2 LEU 30 HB2 LEU 30 12.820 4.123 2.087 240 HB3 LEU 30 HB3 LEU 30 12.639 2.429 1.674 241 HG LEU 30 HG LEU 30 14.816 1.956 2.742 242 HD11 LEU 30 HD11 LEU 30 15.860 4.136 2.460 243 HD12 LEU 30 HD12 LEU 30 15.849 3.660 4.159 244 HD13 LEU 30 HD13 LEU 30 14.691 4.854 3.569 245 HD21 LEU 30 HD21 LEU 30 12.776 1.654 4.003 246 HD22 LEU 30 HD22 LEU 30 12.784 3.354 4.473 247 HD23 LEU 30 HD23 LEU 30 14.049 2.270 5.055 248 H LYS 31 H LYS 31 13.127 1.324 -0.508 249 HA LYS 31 HA LYS 31 15.435 -0.296 -0.045 250 HB2 LYS 31 HB2 LYS 31 14.210 -2.125 -0.938 251 HB3 LYS 31 HB3 LYS 31 13.107 -1.176 0.041 252 HG2 LYS 31 HG2 LYS 31 12.194 -0.175 -2.022 253 HG3 LYS 31 HG3 LYS 31 13.254 -1.231 -2.965 254 HD2 LYS 31 HD2 LYS 31 12.212 -3.171 -1.730 255 HD3 LYS 31 HD3 LYS 31 11.022 -2.029 -1.108 256 HE2 LYS 31 HE2 LYS 31 10.361 -1.490 -3.412 257 HE3 LYS 31 HE3 LYS 31 11.530 -2.669 -4.009 258 HZ1 LYS 31 HZ1 LYS 31 10.312 -4.353 -2.633 259 HZ2 LYS 31 HZ2 LYS 31 9.441 -3.750 -3.957 260 HZ3 LYS 31 HZ3 LYS 31 9.098 -3.192 -2.393 261 H LYS 32 H LYS 32 14.348 1.660 -2.653 262 HA LYS 32 HA LYS 32 16.089 0.633 -4.648 263 HB2 LYS 32 HB2 LYS 32 14.347 2.103 -5.349 264 HB3 LYS 32 HB3 LYS 32 14.829 3.339 -4.197 265 HG2 LYS 32 HG2 LYS 32 15.476 4.064 -6.367 266 HG3 LYS 32 HG3 LYS 32 16.940 3.627 -5.489 267 HD2 LYS 32 HD2 LYS 32 16.919 1.427 -6.636 268 HD3 LYS 32 HD3 LYS 32 15.523 1.968 -7.573 269 HE2 LYS 32 HE2 LYS 32 16.873 3.842 -8.444 270 HE3 LYS 32 HE3 LYS 32 18.264 3.229 -7.555 271 HZ1 LYS 32 HZ1 LYS 32 18.520 2.430 -9.717 272 HZ2 LYS 32 HZ2 LYS 32 16.883 2.021 -9.874 273 HZ3 LYS 32 HZ3 LYS 32 17.891 1.098 -8.871 274 H LEU 33 H LEU 33 16.389 3.174 -2.203 275 HA LEU 33 HA LEU 33 19.001 3.995 -2.901 276 HB2 LEU 33 HB2 LEU 33 17.446 5.363 -1.577 277 HB3 LEU 33 HB3 LEU 33 17.560 4.214 -0.257 278 HG LEU 33 HG LEU 33 19.973 4.754 -0.037 279 HD11 LEU 33 HD11 LEU 33 20.852 6.733 -1.170 280 HD12 LEU 33 HD12 LEU 33 19.349 6.880 -2.081 281 HD13 LEU 33 HD13 LEU 33 20.395 5.481 -2.325 282 HD21 LEU 33 HD21 LEU 33 18.110 7.121 0.132 283 HD22 LEU 33 HD22 LEU 33 19.644 6.949 0.983 284 HD23 LEU 33 HD23 LEU 33 18.301 5.868 1.357 285 H VAL 34 H VAL 34 17.811 1.710 -0.445 286 HA VAL 34 HA VAL 34 20.490 1.065 0.408 287 HB VAL 34 HB VAL 34 18.484 0.992 1.933 288 HG11 VAL 34 HG11 VAL 34 17.090 -1.003 1.928 289 HG12 VAL 34 HG12 VAL 34 17.892 -1.568 0.464 290 HG13 VAL 34 HG13 VAL 34 16.916 -0.100 0.423 291 HG21 VAL 34 HG21 VAL 34 19.228 -0.991 3.151 292 HG22 VAL 34 HG22 VAL 34 20.593 -0.047 2.556 293 HG23 VAL 34 HG23 VAL 34 20.119 -1.532 1.731 294 H GLY 35 H GLY 35 18.295 -0.043 -2.000 295 HA2 GLY 35 HA2 GLY 35 19.428 -2.637 -2.377 296 HA3 GLY 35 HA3 GLY 35 18.399 -1.775 -3.512 297 H GLU 36 H GLU 36 19.879 0.495 -3.956 298 HA GLU 36 HA GLU 36 21.933 -0.439 -5.705 299 HB2 GLU 36 HB2 GLU 36 21.096 2.331 -4.841 300 HB3 GLU 36 HB3 GLU 36 22.391 2.038 -5.992 301 HG2 GLU 36 HG2 GLU 36 19.535 1.161 -6.336 302 HG3 GLU 36 HG3 GLU 36 20.264 2.589 -7.074 303 H ARG 37 H ARG 37 23.834 -1.101 -5.024 304 HA ARG 37 HA ARG 37 25.118 0.350 -2.809 305 HB2 ARG 37 HB2 ARG 37 24.351 -1.899 -2.124 306 HB3 ARG 37 HB3 ARG 37 25.290 -2.607 -3.429 307 HG2 ARG 37 HG2 ARG 37 27.344 -1.741 -2.384 308 HG3 ARG 37 HG3 ARG 37 26.369 -1.124 -1.044 309 HD2 ARG 37 HD2 ARG 37 25.623 -3.369 -0.522 310 HD3 ARG 37 HD3 ARG 37 26.506 -4.009 -1.905 311 HE ARG 37 HE ARG 37 28.157 -2.595 -0.022 312 HH11 ARG 37 HH11 ARG 37 26.687 -5.660 -0.844 313 HH12 ARG 37 HH12 ARG 37 27.845 -6.602 0.048 314 HH21 ARG 37 HH21 ARG 37 29.701 -3.837 1.151 315 HH22 ARG 37 HH22 ARG 37 29.556 -5.575 1.172 316 HA2 GLY 0 HA2 GLY 0 -27.366 -13.352 -0.195 317 HA3 GLY 0 HA3 GLY 0 -25.701 -13.000 0.252 318 H ALA 1 H ALA 1 -26.333 -11.407 -1.612 319 HA ALA 1 HA ALA 1 -26.000 -12.559 -4.253 320 HB1 ALA 1 HB1 ALA 1 -27.500 -10.658 -3.947 321 HB2 ALA 1 HB2 ALA 1 -26.184 -10.255 -5.049 322 HB3 ALA 1 HB3 ALA 1 -26.152 -9.670 -3.385 323 H GLY 2 H GLY 2 -23.983 -13.426 -4.398 324 HA2 GLY 2 HA2 GLY 2 -21.724 -11.591 -3.865 325 HA3 GLY 2 HA3 GLY 2 -21.654 -13.316 -3.537 326 H SER 3 H SER 3 -22.376 -11.113 -6.233 327 HA SER 3 HA SER 3 -20.667 -12.822 -7.904 328 HB2 SER 3 HB2 SER 3 -22.252 -12.061 -9.812 329 HB3 SER 3 HB3 SER 3 -22.802 -13.329 -8.716 330 HG SER 3 HG SER 3 -24.447 -12.072 -8.388 331 H SER 4 H SER 4 -22.336 -9.740 -8.495 332 HA SER 4 HA SER 4 -19.952 -8.741 -9.764 333 HB2 SER 4 HB2 SER 4 -22.632 -7.386 -9.393 334 HB3 SER 4 HB3 SER 4 -21.365 -6.930 -10.533 335 HG SER 4 HG SER 4 -21.752 -8.778 -11.701 336 H SER 5 H SER 5 -21.943 -7.954 -6.936 337 HA SER 5 HA SER 5 -20.371 -5.601 -6.390 338 HB2 SER 5 HB2 SER 5 -21.984 -5.517 -4.374 339 HB3 SER 5 HB3 SER 5 -22.656 -5.283 -5.990 340 HG SER 5 HG SER 5 -23.727 -6.849 -4.483 341 H LEU 6 H LEU 6 -21.405 -8.211 -4.224 342 HA LEU 6 HA LEU 6 -19.815 -7.598 -2.116 343 HB2 LEU 6 HB2 LEU 6 -21.648 -9.194 -2.029 344 HB3 LEU 6 HB3 LEU 6 -20.728 -10.335 -2.990 345 HG LEU 6 HG LEU 6 -19.060 -10.476 -1.138 346 HD11 LEU 6 HD11 LEU 6 -21.095 -8.826 0.345 347 HD12 LEU 6 HD12 LEU 6 -19.460 -8.329 -0.093 348 HD13 LEU 6 HD13 LEU 6 -19.707 -9.633 1.071 349 HD21 LEU 6 HD21 LEU 6 -20.454 -11.850 0.328 350 HD22 LEU 6 HD22 LEU 6 -20.822 -12.150 -1.371 351 HD23 LEU 6 HD23 LEU 6 -21.906 -11.158 -0.395 352 H GLU 7 H GLU 7 -19.041 -10.287 -4.341 353 HA GLU 7 HA GLU 7 -16.672 -10.906 -2.997 354 HB2 GLU 7 HB2 GLU 7 -18.067 -12.402 -4.518 355 HB3 GLU 7 HB3 GLU 7 -17.249 -11.617 -5.863 356 HG2 GLU 7 HG2 GLU 7 -16.166 -13.703 -5.332 357 HG3 GLU 7 HG3 GLU 7 -15.091 -12.353 -4.970 358 H ALA 8 H ALA 8 -17.316 -8.880 -5.797 359 HA ALA 8 HA ALA 8 -14.702 -8.642 -6.747 360 HB1 ALA 8 HB1 ALA 8 -15.481 -6.625 -7.887 361 HB2 ALA 8 HB2 ALA 8 -16.942 -6.623 -6.899 362 HB3 ALA 8 HB3 ALA 8 -16.652 -7.934 -8.044 363 H VAL 9 H VAL 9 -16.545 -6.468 -4.598 364 HA VAL 9 HA VAL 9 -14.394 -4.691 -4.182 365 HB VAL 9 HB VAL 9 -16.829 -5.127 -2.437 366 HG11 VAL 9 HG11 VAL 9 -14.992 -2.745 -2.686 367 HG12 VAL 9 HG12 VAL 9 -15.073 -3.859 -1.321 368 HG13 VAL 9 HG13 VAL 9 -16.452 -2.827 -1.699 369 HG21 VAL 9 HG21 VAL 9 -17.824 -3.262 -3.692 370 HG22 VAL 9 HG22 VAL 9 -17.493 -4.655 -4.722 371 HG23 VAL 9 HG23 VAL 9 -16.427 -3.251 -4.767 372 H ARG 10 H ARG 10 -15.570 -7.530 -2.498 373 HA ARG 10 HA ARG 10 -14.373 -7.225 -0.048 374 HB2 ARG 10 HB2 ARG 10 -16.013 -8.948 -0.457 375 HB3 ARG 10 HB3 ARG 10 -14.938 -9.762 -1.584 376 HG2 ARG 10 HG2 ARG 10 -13.608 -10.614 0.079 377 HG3 ARG 10 HG3 ARG 10 -14.025 -9.333 1.218 378 HD2 ARG 10 HD2 ARG 10 -15.009 -11.420 1.922 379 HD3 ARG 10 HD3 ARG 10 -16.271 -10.289 1.445 380 HE ARG 10 HE ARG 10 -15.525 -12.019 -0.706 381 HH11 ARG 10 HH11 ARG 10 -17.421 -11.783 2.235 382 HH12 ARG 10 HH12 ARG 10 -18.521 -13.061 1.789 383 HH21 ARG 10 HH21 ARG 10 -16.977 -13.716 -1.305 384 HH22 ARG 10 HH22 ARG 10 -18.248 -14.175 -0.200 385 H ARG 11 H ARG 11 -12.957 -8.822 -2.930 386 HA ARG 11 HA ARG 11 -10.596 -9.516 -1.507 387 HB2 ARG 11 HB2 ARG 11 -11.411 -10.741 -3.534 388 HB3 ARG 11 HB3 ARG 11 -10.938 -9.352 -4.507 389 HG2 ARG 11 HG2 ARG 11 -8.615 -9.629 -3.678 390 HG3 ARG 11 HG3 ARG 11 -9.131 -11.101 -2.858 391 HD2 ARG 11 HD2 ARG 11 -9.834 -12.014 -5.057 392 HD3 ARG 11 HD3 ARG 11 -9.157 -10.578 -5.825 393 HE ARG 11 HE ARG 11 -7.481 -12.340 -4.168 394 HH11 ARG 11 HH11 ARG 11 -8.145 -10.769 -7.221 395 HH12 ARG 11 HH12 ARG 11 -6.617 -11.192 -7.917 396 HH21 ARG 11 HH21 ARG 11 -5.458 -12.897 -5.072 397 HH22 ARG 11 HH22 ARG 11 -5.077 -12.398 -6.700 398 H LYS 12 H LYS 12 -11.610 -6.796 -3.443 399 HA LYS 12 HA LYS 12 -9.036 -5.829 -4.043 400 HB2 LYS 12 HB2 LYS 12 -11.707 -4.421 -3.990 401 HB3 LYS 12 HB3 LYS 12 -10.227 -3.723 -4.636 402 HG2 LYS 12 HG2 LYS 12 -10.108 -5.483 -6.311 403 HG3 LYS 12 HG3 LYS 12 -11.558 -6.230 -5.643 404 HD2 LYS 12 HD2 LYS 12 -12.827 -4.185 -6.179 405 HD3 LYS 12 HD3 LYS 12 -11.375 -3.498 -6.911 406 HE2 LYS 12 HE2 LYS 12 -11.319 -5.359 -8.511 407 HE3 LYS 12 HE3 LYS 12 -12.784 -6.016 -7.784 408 HZ1 LYS 12 HZ1 LYS 12 -12.541 -3.392 -9.159 409 HZ2 LYS 12 HZ2 LYS 12 -13.954 -3.982 -8.420 410 HZ3 LYS 12 HZ3 LYS 12 -13.310 -4.778 -9.771 411 H ILE 13 H ILE 13 -11.324 -5.139 -1.420 412 HA ILE 13 HA ILE 13 -9.758 -3.012 -0.384 413 HB ILE 13 HB ILE 13 -11.179 -3.191 1.646 414 HG12 ILE 13 HG12 ILE 13 -13.304 -4.707 1.157 415 HG13 ILE 13 HG13 ILE 13 -12.127 -5.661 0.260 416 HG21 ILE 13 HG21 ILE 13 -11.852 -1.756 -0.161 417 HG22 ILE 13 HG22 ILE 13 -13.278 -2.533 0.528 418 HG23 ILE 13 HG23 ILE 13 -12.610 -3.109 -0.999 419 HD11 ILE 13 HD11 ILE 13 -12.433 -6.487 2.534 420 HD12 ILE 13 HD12 ILE 13 -11.932 -4.922 3.176 421 HD13 ILE 13 HD13 ILE 13 -10.785 -5.914 2.274 422 H ARG 14 H ARG 14 -9.676 -6.460 -0.069 423 HA ARG 14 HA ARG 14 -8.191 -6.502 2.359 424 HB2 ARG 14 HB2 ARG 14 -9.465 -8.479 1.625 425 HB3 ARG 14 HB3 ARG 14 -8.425 -8.623 0.213 426 HG2 ARG 14 HG2 ARG 14 -6.495 -8.959 1.692 427 HG3 ARG 14 HG3 ARG 14 -7.569 -8.884 3.087 428 HD2 ARG 14 HD2 ARG 14 -8.713 -10.873 2.382 429 HD3 ARG 14 HD3 ARG 14 -7.815 -10.898 0.861 430 HE ARG 14 HE ARG 14 -5.834 -10.995 2.663 431 HH11 ARG 14 HH11 ARG 14 -8.813 -12.824 2.429 432 HH12 ARG 14 HH12 ARG 14 -8.139 -14.257 3.148 433 HH21 ARG 14 HH21 ARG 14 -4.947 -12.887 3.602 434 HH22 ARG 14 HH22 ARG 14 -5.958 -14.289 3.804 435 H SER 15 H SER 15 -7.444 -6.326 -1.054 436 HA SER 15 HA SER 15 -4.730 -6.905 -1.018 437 HB2 SER 15 HB2 SER 15 -6.098 -4.802 -2.721 438 HB3 SER 15 HB3 SER 15 -4.603 -5.656 -3.099 439 HG SER 15 HG SER 15 -6.614 -7.395 -2.586 440 H LEU 16 H LEU 16 -6.442 -3.856 -0.450 441 HA LEU 16 HA LEU 16 -4.195 -2.235 -0.059 442 HB2 LEU 16 HB2 LEU 16 -6.972 -1.987 1.102 443 HB3 LEU 16 HB3 LEU 16 -5.762 -0.723 1.115 444 HG LEU 16 HG LEU 16 -6.985 -1.913 -1.374 445 HD11 LEU 16 HD11 LEU 16 -7.477 0.748 -0.047 446 HD12 LEU 16 HD12 LEU 16 -8.598 -0.613 -0.068 447 HD13 LEU 16 HD13 LEU 16 -8.169 0.202 -1.573 448 HD21 LEU 16 HD21 LEU 16 -5.142 0.442 -0.994 449 HD22 LEU 16 HD22 LEU 16 -5.896 -0.038 -2.514 450 HD23 LEU 16 HD23 LEU 16 -4.720 -1.099 -1.740 451 H GLN 17 H GLN 17 -6.158 -4.146 2.189 452 HA GLN 17 HA GLN 17 -4.997 -3.272 4.564 453 HB2 GLN 17 HB2 GLN 17 -6.156 -5.992 3.927 454 HB3 GLN 17 HB3 GLN 17 -5.841 -5.375 5.542 455 HG2 GLN 17 HG2 GLN 17 -7.733 -4.066 3.603 456 HG3 GLN 17 HG3 GLN 17 -8.224 -5.277 4.779 457 HE21 GLN 17 HE21 GLN 17 -5.799 -2.816 5.433 458 HE22 GLN 17 HE22 GLN 17 -6.741 -1.946 6.587 459 H GLU 18 H GLU 18 -4.129 -5.980 2.442 460 HA GLU 18 HA GLU 18 -2.084 -7.090 3.971 461 HB2 GLU 18 HB2 GLU 18 -3.123 -8.082 1.911 462 HB3 GLU 18 HB3 GLU 18 -2.205 -6.931 0.951 463 HG2 GLU 18 HG2 GLU 18 -1.037 -8.981 0.882 464 HG3 GLU 18 HG3 GLU 18 -0.122 -7.913 1.943 465 H GLN 19 H GLN 19 -1.971 -4.600 1.448 466 HA GLN 19 HA GLN 19 0.759 -4.125 1.385 467 HB2 GLN 19 HB2 GLN 19 -0.834 -3.180 -0.232 468 HB3 GLN 19 HB3 GLN 19 -1.499 -2.141 1.019 469 HG2 GLN 19 HG2 GLN 19 -0.037 -0.847 -0.350 470 HG3 GLN 19 HG3 GLN 19 0.717 -1.054 1.229 471 HE21 GLN 19 HE21 GLN 19 0.851 -1.838 -2.138 472 HE22 GLN 19 HE22 GLN 19 2.438 -2.535 -2.128 473 H ASN 20 H ASN 20 -1.702 -2.325 3.223 474 HA ASN 20 HA ASN 20 -0.011 -0.597 4.558 475 HB2 ASN 20 HB2 ASN 20 -2.712 -1.709 5.284 476 HB3 ASN 20 HB3 ASN 20 -1.880 -0.556 6.320 477 HD21 ASN 20 HD21 ASN 20 -3.447 -1.046 3.254 478 HD22 ASN 20 HD22 ASN 20 -3.607 0.626 2.842 479 H TYR 21 H TYR 21 -1.094 -3.826 5.475 480 HA TYR 21 HA TYR 21 -0.081 -3.911 8.059 481 HB2 TYR 21 HB2 TYR 21 -1.593 -5.612 7.242 482 HB3 TYR 21 HB3 TYR 21 -0.429 -6.117 6.024 483 HD1 TYR 21 HD1 TYR 21 -0.600 -5.701 9.741 484 HD2 TYR 21 HD2 TYR 21 0.767 -8.031 6.458 485 HE1 TYR 21 HE1 TYR 21 0.313 -7.363 11.308 486 HE2 TYR 21 HE2 TYR 21 1.681 -9.698 8.014 487 HH TYR 21 HH TYR 21 0.990 -9.622 11.408 488 H HIS 22 H HIS 22 1.439 -5.155 5.074 489 HA HIS 22 HA HIS 22 3.823 -5.880 6.410 490 HB2 HIS 22 HB2 HIS 22 2.942 -5.790 3.575 491 HB3 HIS 22 HB3 HIS 22 4.675 -5.827 3.894 492 HD1 HIS 22 HD1 HIS 22 5.654 -7.981 4.968 493 HD2 HIS 22 HD2 HIS 22 1.565 -8.140 4.164 494 HE1 HIS 22 HE1 HIS 22 5.007 -10.416 5.160 495 HE2 HIS 22 HE2 HIS 22 2.525 -10.483 4.688 496 H LEU 23 H LEU 23 2.788 -3.023 4.674 497 HA LEU 23 HA LEU 23 5.171 -1.804 4.102 498 HB2 LEU 23 HB2 LEU 23 2.699 -1.068 3.710 499 HB3 LEU 23 HB3 LEU 23 2.874 -0.241 5.243 500 HG LEU 23 HG LEU 23 4.730 0.260 2.920 501 HD11 LEU 23 HD11 LEU 23 2.186 1.711 3.645 502 HD12 LEU 23 HD12 LEU 23 2.467 0.754 2.190 503 HD13 LEU 23 HD13 LEU 23 3.365 2.250 2.450 504 HD21 LEU 23 HD21 LEU 23 4.057 1.864 5.386 505 HD22 LEU 23 HD22 LEU 23 5.155 2.367 4.100 506 HD23 LEU 23 HD23 LEU 23 5.552 0.970 5.101 507 H GLU 24 H GLU 24 3.312 -1.520 7.124 508 HA GLU 24 HA GLU 24 5.142 0.172 8.396 509 HB2 GLU 24 HB2 GLU 24 2.944 -1.601 9.431 510 HB3 GLU 24 HB3 GLU 24 3.935 -0.619 10.501 511 HG2 GLU 24 HG2 GLU 24 2.289 0.445 8.217 512 HG3 GLU 24 HG3 GLU 24 1.804 0.448 9.914 513 H ASN 25 H ASN 25 4.633 -3.361 8.861 514 HA ASN 25 HA ASN 25 6.636 -3.497 10.837 515 HB2 ASN 25 HB2 ASN 25 6.400 -5.876 10.784 516 HB3 ASN 25 HB3 ASN 25 4.798 -5.186 10.569 517 HD21 ASN 25 HD21 ASN 25 7.422 -6.884 9.032 518 HD22 ASN 25 HD22 ASN 25 6.529 -7.426 7.657 519 H GLU 26 H GLU 26 6.694 -3.944 7.349 520 HA GLU 26 HA GLU 26 9.230 -5.167 7.240 521 HB2 GLU 26 HB2 GLU 26 7.195 -4.527 5.431 522 HB3 GLU 26 HB3 GLU 26 8.593 -3.618 4.876 523 HG2 GLU 26 HG2 GLU 26 8.467 -5.773 3.786 524 HG3 GLU 26 HG3 GLU 26 9.905 -5.660 4.794 525 H VAL 27 H VAL 27 8.177 -1.788 6.719 526 HA VAL 27 HA VAL 27 10.794 -0.871 6.184 527 HB VAL 27 HB VAL 27 8.727 0.340 5.464 528 HG11 VAL 27 HG11 VAL 27 7.413 0.187 7.495 529 HG12 VAL 27 HG12 VAL 27 7.640 1.873 7.029 530 HG13 VAL 27 HG13 VAL 27 8.584 1.190 8.352 531 HG21 VAL 27 HG21 VAL 27 9.632 2.593 5.841 532 HG22 VAL 27 HG22 VAL 27 10.878 1.438 5.371 533 HG23 VAL 27 HG23 VAL 27 10.728 1.936 7.057 534 H ALA 28 H ALA 28 8.865 -1.175 9.108 535 HA ALA 28 HA ALA 28 10.438 0.349 10.838 536 HB1 ALA 28 HB1 ALA 28 9.423 -0.929 12.641 537 HB2 ALA 28 HB2 ALA 28 8.872 -2.148 11.492 538 HB3 ALA 28 HB3 ALA 28 8.209 -0.515 11.430 539 H ARG 29 H ARG 29 10.531 -3.125 10.106 540 HA ARG 29 HA ARG 29 12.714 -3.771 11.714 541 HB2 ARG 29 HB2 ARG 29 11.266 -5.483 10.753 542 HB3 ARG 29 HB3 ARG 29 11.787 -5.046 9.128 543 HG2 ARG 29 HG2 ARG 29 14.113 -5.680 9.813 544 HG3 ARG 29 HG3 ARG 29 13.422 -6.316 11.306 545 HD2 ARG 29 HD2 ARG 29 12.061 -7.874 10.050 546 HD3 ARG 29 HD3 ARG 29 12.642 -7.195 8.529 547 HE ARG 29 HE ARG 29 14.359 -8.630 10.460 548 HH11 ARG 29 HH11 ARG 29 13.447 -7.790 7.180 549 HH12 ARG 29 HH12 ARG 29 14.698 -8.755 6.448 550 HH21 ARG 29 HH21 ARG 29 15.993 -9.916 9.509 551 HH22 ARG 29 HH22 ARG 29 16.155 -9.958 7.773 552 H LEU 30 H LEU 30 12.575 -2.970 8.259 553 HA LEU 30 HA LEU 30 15.214 -3.428 7.627 554 HB2 LEU 30 HB2 LEU 30 13.424 -3.039 5.989 555 HB3 LEU 30 HB3 LEU 30 13.375 -1.346 6.444 556 HG LEU 30 HG LEU 30 15.695 -1.076 5.629 557 HD11 LEU 30 HD11 LEU 30 15.380 -3.929 4.706 558 HD12 LEU 30 HD12 LEU 30 16.482 -3.357 5.959 559 HD13 LEU 30 HD13 LEU 30 16.710 -2.850 4.285 560 HD21 LEU 30 HD21 LEU 30 15.165 -1.270 3.234 561 HD22 LEU 30 HD22 LEU 30 13.842 -0.553 4.152 562 HD23 LEU 30 HD23 LEU 30 13.748 -2.238 3.639 563 H LYS 31 H LYS 31 13.750 -0.288 8.517 564 HA LYS 31 HA LYS 31 16.123 1.157 8.179 565 HB2 LYS 31 HB2 LYS 31 14.969 2.977 9.364 566 HB3 LYS 31 HB3 LYS 31 13.952 2.251 8.129 567 HG2 LYS 31 HG2 LYS 31 12.882 0.902 9.959 568 HG3 LYS 31 HG3 LYS 31 13.768 1.907 11.108 569 HD2 LYS 31 HD2 LYS 31 12.691 3.901 10.229 570 HD3 LYS 31 HD3 LYS 31 11.839 2.931 9.023 571 HE2 LYS 31 HE2 LYS 31 10.774 1.673 10.892 572 HE3 LYS 31 HE3 LYS 31 11.530 2.802 12.017 573 HZ1 LYS 31 HZ1 LYS 31 10.327 4.615 10.938 574 HZ2 LYS 31 HZ2 LYS 31 9.265 3.443 11.557 575 HZ3 LYS 31 HZ3 LYS 31 9.575 3.509 9.897 576 H LYS 32 H LYS 32 14.725 -0.421 11.023 577 HA LYS 32 HA LYS 32 16.685 0.681 12.799 578 HB2 LYS 32 HB2 LYS 32 14.443 -0.014 13.580 579 HB3 LYS 32 HB3 LYS 32 14.836 -1.681 13.198 580 HG2 LYS 32 HG2 LYS 32 16.492 -0.106 15.138 581 HG3 LYS 32 HG3 LYS 32 15.000 -0.904 15.640 582 HD2 LYS 32 HD2 LYS 32 15.869 -3.049 14.979 583 HD3 LYS 32 HD3 LYS 32 17.308 -2.299 14.286 584 HE2 LYS 32 HE2 LYS 32 17.920 -1.495 16.541 585 HE3 LYS 32 HE3 LYS 32 16.528 -2.354 17.199 586 HZ1 LYS 32 HZ1 LYS 32 18.848 -3.573 15.793 587 HZ2 LYS 32 HZ2 LYS 32 17.478 -4.425 16.324 588 HZ3 LYS 32 HZ3 LYS 32 18.505 -3.685 17.450 589 H LEU 33 H LEU 33 16.285 -2.362 11.062 590 HA LEU 33 HA LEU 33 18.243 -3.842 12.410 591 HB2 LEU 33 HB2 LEU 33 16.483 -4.770 10.930 592 HB3 LEU 33 HB3 LEU 33 17.359 -4.146 9.545 593 HG LEU 33 HG LEU 33 19.287 -5.605 10.178 594 HD11 LEU 33 HD11 LEU 33 18.845 -5.880 12.531 595 HD12 LEU 33 HD12 LEU 33 18.841 -7.458 11.742 596 HD13 LEU 33 HD13 LEU 33 17.317 -6.690 12.185 597 HD21 LEU 33 HD21 LEU 33 18.275 -7.669 9.365 598 HD22 LEU 33 HD22 LEU 33 17.679 -6.275 8.466 599 HD23 LEU 33 HD23 LEU 33 16.669 -7.022 9.700 600 H VAL 34 H VAL 34 18.499 -1.860 9.479 601 HA VAL 34 HA VAL 34 21.205 -2.638 8.999 602 HB VAL 34 HB VAL 34 19.759 -1.946 7.151 603 HG11 VAL 34 HG11 VAL 34 19.203 0.414 6.795 604 HG12 VAL 34 HG12 VAL 34 19.885 0.811 8.373 605 HG13 VAL 34 HG13 VAL 34 18.456 -0.219 8.263 606 HG21 VAL 34 HG21 VAL 34 22.146 -0.138 7.533 607 HG22 VAL 34 HG22 VAL 34 21.341 -0.460 5.999 608 HG23 VAL 34 HG23 VAL 34 22.163 -1.765 6.853 609 H GLY 35 H GLY 35 19.668 0.039 10.668 610 HA2 GLY 35 HA2 GLY 35 22.165 1.499 10.892 611 HA3 GLY 35 HA3 GLY 35 20.605 2.002 11.521 612 H GLU 36 H GLU 36 20.200 -0.599 12.886 613 HA GLU 36 HA GLU 36 20.352 -1.321 15.029 614 HB2 GLU 36 HB2 GLU 36 23.228 -0.826 14.341 615 HB3 GLU 36 HB3 GLU 36 22.790 -1.279 15.983 616 HG2 GLU 36 HG2 GLU 36 22.092 -2.866 13.520 617 HG3 GLU 36 HG3 GLU 36 23.455 -3.198 14.590 618 H ARG 37 H ARG 37 19.388 1.176 14.785 619 HA ARG 37 HA ARG 37 20.807 2.919 16.640 620 HB2 ARG 37 HB2 ARG 37 19.459 3.457 14.332 621 HB3 ARG 37 HB3 ARG 37 18.227 3.815 15.536 622 HG2 ARG 37 HG2 ARG 37 19.414 5.823 15.042 623 HG3 ARG 37 HG3 ARG 37 19.851 5.306 16.672 624 HD2 ARG 37 HD2 ARG 37 21.895 4.267 15.760 625 HD3 ARG 37 HD3 ARG 37 21.472 4.883 14.164 626 HE ARG 37 HE ARG 37 22.168 6.551 16.493 627 HH11 ARG 37 HH11 ARG 37 21.942 6.035 13.045 628 HH12 ARG 37 HH12 ARG 37 22.731 7.525 12.625 629 HH21 ARG 37 HH21 ARG 37 23.239 8.509 15.962 630 HH22 ARG 37 HH22 ARG 37 23.474 8.934 14.287 Start of MODEL 10 1 HA2 GLY 0 HA2 GLY 0 -31.716 2.921 -3.496 2 HA3 GLY 0 HA3 GLY 0 -30.152 2.266 -3.966 3 H ALA 1 H ALA 1 -30.328 4.048 -1.902 4 HA ALA 1 HA ALA 1 -29.086 6.456 -3.055 5 HB1 ALA 1 HB1 ALA 1 -30.980 6.426 -0.710 6 HB2 ALA 1 HB2 ALA 1 -31.360 7.007 -2.330 7 HB3 ALA 1 HB3 ALA 1 -30.144 7.840 -1.359 8 H GLY 2 H GLY 2 -28.099 7.740 -1.006 9 HA2 GLY 2 HA2 GLY 2 -27.080 6.922 1.244 10 HA3 GLY 2 HA3 GLY 2 -26.255 5.788 0.185 11 H SER 3 H SER 3 -26.884 9.274 0.468 12 HA SER 3 HA SER 3 -24.740 10.056 -1.186 13 HB2 SER 3 HB2 SER 3 -26.059 11.695 0.988 14 HB3 SER 3 HB3 SER 3 -25.209 12.302 -0.433 15 HG SER 3 HG SER 3 -27.138 12.304 -1.269 16 H SER 4 H SER 4 -25.049 10.197 2.380 17 HA SER 4 HA SER 4 -22.361 10.978 2.803 18 HB2 SER 4 HB2 SER 4 -24.277 9.607 4.702 19 HB3 SER 4 HB3 SER 4 -22.788 10.431 5.164 20 HG SER 4 HG SER 4 -25.083 11.591 3.942 21 H SER 5 H SER 5 -23.972 7.873 2.624 22 HA SER 5 HA SER 5 -21.908 6.236 3.585 23 HB2 SER 5 HB2 SER 5 -23.882 5.490 1.418 24 HB3 SER 5 HB3 SER 5 -23.123 4.426 2.602 25 HG SER 5 HG SER 5 -24.739 4.839 3.859 26 H LEU 6 H LEU 6 -22.739 7.178 0.253 27 HA LEU 6 HA LEU 6 -20.601 5.816 -0.982 28 HB2 LEU 6 HB2 LEU 6 -22.640 6.598 -2.143 29 HB3 LEU 6 HB3 LEU 6 -22.100 8.253 -1.944 30 HG LEU 6 HG LEU 6 -20.123 7.753 -3.349 31 HD11 LEU 6 HD11 LEU 6 -21.477 5.092 -3.745 32 HD12 LEU 6 HD12 LEU 6 -19.942 5.372 -2.923 33 HD13 LEU 6 HD13 LEU 6 -20.087 5.682 -4.652 34 HD21 LEU 6 HD21 LEU 6 -21.335 7.627 -5.471 35 HD22 LEU 6 HD22 LEU 6 -22.109 8.738 -4.341 36 HD23 LEU 6 HD23 LEU 6 -22.791 7.133 -4.606 37 H GLU 7 H GLU 7 -20.931 9.091 0.288 38 HA GLU 7 HA GLU 7 -18.448 10.048 -0.688 39 HB2 GLU 7 HB2 GLU 7 -20.280 11.528 0.055 40 HB3 GLU 7 HB3 GLU 7 -20.026 10.990 1.712 41 HG2 GLU 7 HG2 GLU 7 -17.703 11.866 1.572 42 HG3 GLU 7 HG3 GLU 7 -18.103 12.540 -0.008 43 H ALA 8 H ALA 8 -19.409 8.363 2.262 44 HA ALA 8 HA ALA 8 -16.988 8.623 3.672 45 HB1 ALA 8 HB1 ALA 8 -18.962 6.340 3.741 46 HB2 ALA 8 HB2 ALA 8 -19.057 7.811 4.711 47 HB3 ALA 8 HB3 ALA 8 -17.725 6.677 4.952 48 H VAL 9 H VAL 9 -18.149 6.145 1.414 49 HA VAL 9 HA VAL 9 -15.796 4.595 1.364 50 HB VAL 9 HB VAL 9 -17.810 4.989 -0.863 51 HG11 VAL 9 HG11 VAL 9 -15.758 3.969 -1.668 52 HG12 VAL 9 HG12 VAL 9 -17.068 2.788 -1.636 53 HG13 VAL 9 HG13 VAL 9 -15.832 2.766 -0.379 54 HG21 VAL 9 HG21 VAL 9 -18.869 4.259 1.213 55 HG22 VAL 9 HG22 VAL 9 -17.734 2.915 1.325 56 HG23 VAL 9 HG23 VAL 9 -18.894 2.979 -0.002 57 H ARG 10 H ARG 10 -16.886 7.303 -0.626 58 HA ARG 10 HA ARG 10 -14.846 7.491 -2.471 59 HB2 ARG 10 HB2 ARG 10 -16.726 8.897 -2.734 60 HB3 ARG 10 HB3 ARG 10 -16.553 9.574 -1.124 61 HG2 ARG 10 HG2 ARG 10 -14.458 10.679 -1.877 62 HG3 ARG 10 HG3 ARG 10 -14.796 10.092 -3.509 63 HD2 ARG 10 HD2 ARG 10 -16.706 11.420 -3.720 64 HD3 ARG 10 HD3 ARG 10 -16.832 11.671 -1.978 65 HE ARG 10 HE ARG 10 -14.430 12.770 -3.067 66 HH11 ARG 10 HH11 ARG 10 -17.862 13.368 -2.701 67 HH12 ARG 10 HH12 ARG 10 -17.686 15.097 -2.692 68 HH21 ARG 10 HH21 ARG 10 -14.198 15.032 -3.056 69 HH22 ARG 10 HH22 ARG 10 -15.617 16.033 -2.907 70 H ARG 11 H ARG 11 -14.979 9.085 0.725 71 HA ARG 11 HA ARG 11 -12.423 10.263 0.568 72 HB2 ARG 11 HB2 ARG 11 -14.133 10.953 2.205 73 HB3 ARG 11 HB3 ARG 11 -13.964 9.412 3.032 74 HG2 ARG 11 HG2 ARG 11 -11.597 9.979 3.507 75 HG3 ARG 11 HG3 ARG 11 -11.868 11.562 2.776 76 HD2 ARG 11 HD2 ARG 11 -13.206 10.431 5.229 77 HD3 ARG 11 HD3 ARG 11 -12.062 11.770 5.162 78 HE ARG 11 HE ARG 11 -14.780 11.857 4.002 79 HH11 ARG 11 HH11 ARG 11 -12.123 13.389 5.713 80 HH12 ARG 11 HH12 ARG 11 -12.899 14.946 5.766 81 HH21 ARG 11 HH21 ARG 11 -15.790 13.877 4.084 82 HH22 ARG 11 HH22 ARG 11 -14.997 15.222 4.845 83 H LYS 12 H LYS 12 -13.544 7.167 1.789 84 HA LYS 12 HA LYS 12 -11.178 6.382 3.074 85 HB2 LYS 12 HB2 LYS 12 -13.514 5.374 3.278 86 HB3 LYS 12 HB3 LYS 12 -13.150 4.497 1.799 87 HG2 LYS 12 HG2 LYS 12 -12.768 3.133 3.782 88 HG3 LYS 12 HG3 LYS 12 -11.271 3.405 2.887 89 HD2 LYS 12 HD2 LYS 12 -10.496 4.975 4.473 90 HD3 LYS 12 HD3 LYS 12 -12.089 5.122 5.221 91 HE2 LYS 12 HE2 LYS 12 -10.412 2.616 5.234 92 HE3 LYS 12 HE3 LYS 12 -10.466 3.787 6.550 93 HZ1 LYS 12 HZ1 LYS 12 -12.771 2.215 5.523 94 HZ2 LYS 12 HZ2 LYS 12 -12.848 3.369 6.759 95 HZ3 LYS 12 HZ3 LYS 12 -11.948 1.948 6.983 96 H ILE 13 H ILE 13 -12.422 5.467 -0.153 97 HA ILE 13 HA ILE 13 -10.145 3.927 -0.810 98 HB ILE 13 HB ILE 13 -10.956 3.974 -3.133 99 HG12 ILE 13 HG12 ILE 13 -13.129 5.802 -2.075 100 HG13 ILE 13 HG13 ILE 13 -11.816 6.300 -3.136 101 HG21 ILE 13 HG21 ILE 13 -13.113 2.867 -2.703 102 HG22 ILE 13 HG22 ILE 13 -13.069 3.467 -1.045 103 HG23 ILE 13 HG23 ILE 13 -11.842 2.328 -1.604 104 HD11 ILE 13 HD11 ILE 13 -13.877 5.973 -4.371 105 HD12 ILE 13 HD12 ILE 13 -13.965 4.305 -3.810 106 HD13 ILE 13 HD13 ILE 13 -12.653 4.807 -4.876 107 H ARG 14 H ARG 14 -10.977 7.308 -1.409 108 HA ARG 14 HA ARG 14 -8.822 7.896 -3.124 109 HB2 ARG 14 HB2 ARG 14 -10.586 9.467 -3.050 110 HB3 ARG 14 HB3 ARG 14 -10.511 9.594 -1.298 111 HG2 ARG 14 HG2 ARG 14 -8.485 10.837 -1.397 112 HG3 ARG 14 HG3 ARG 14 -8.310 10.525 -3.126 113 HD2 ARG 14 HD2 ARG 14 -10.040 11.973 -3.687 114 HD3 ARG 14 HD3 ARG 14 -10.734 11.926 -2.064 115 HE ARG 14 HE ARG 14 -9.271 13.567 -1.399 116 HH11 ARG 14 HH11 ARG 14 -8.344 12.438 -4.597 117 HH12 ARG 14 HH12 ARG 14 -7.189 13.718 -4.837 118 HH21 ARG 14 HH21 ARG 14 -7.753 15.215 -1.714 119 HH22 ARG 14 HH22 ARG 14 -6.819 15.275 -3.185 120 H SER 15 H SER 15 -9.155 8.230 0.391 121 HA SER 15 HA SER 15 -6.596 9.220 0.905 122 HB2 SER 15 HB2 SER 15 -8.459 9.168 2.561 123 HB3 SER 15 HB3 SER 15 -8.267 7.420 2.683 124 HG SER 15 HG SER 15 -6.866 9.401 3.890 125 H LEU 16 H LEU 16 -7.814 5.885 0.774 126 HA LEU 16 HA LEU 16 -5.429 4.612 1.527 127 HB2 LEU 16 HB2 LEU 16 -7.737 3.620 -0.141 128 HB3 LEU 16 HB3 LEU 16 -6.433 2.595 0.424 129 HG LEU 16 HG LEU 16 -8.375 4.095 2.180 130 HD11 LEU 16 HD11 LEU 16 -8.124 1.150 1.582 131 HD12 LEU 16 HD12 LEU 16 -9.409 2.220 1.019 132 HD13 LEU 16 HD13 LEU 16 -9.237 1.882 2.741 133 HD21 LEU 16 HD21 LEU 16 -6.191 3.906 3.224 134 HD22 LEU 16 HD22 LEU 16 -6.165 2.174 2.890 135 HD23 LEU 16 HD23 LEU 16 -7.351 2.839 4.015 136 H GLN 17 H GLN 17 -6.710 5.363 -1.715 137 HA GLN 17 HA GLN 17 -4.672 4.108 -3.172 138 HB2 GLN 17 HB2 GLN 17 -6.369 6.501 -3.877 139 HB3 GLN 17 HB3 GLN 17 -5.285 5.711 -5.011 140 HG2 GLN 17 HG2 GLN 17 -6.553 3.623 -4.734 141 HG3 GLN 17 HG3 GLN 17 -7.661 4.462 -3.650 142 HE21 GLN 17 HE21 GLN 17 -9.425 4.102 -4.981 143 HE22 GLN 17 HE22 GLN 17 -9.639 4.926 -6.490 144 H GLU 18 H GLU 18 -4.902 7.434 -1.961 145 HA GLU 18 HA GLU 18 -2.422 8.248 -3.079 146 HB2 GLU 18 HB2 GLU 18 -4.161 9.846 -2.461 147 HB3 GLU 18 HB3 GLU 18 -3.985 9.404 -0.767 148 HG2 GLU 18 HG2 GLU 18 -1.731 10.256 -0.743 149 HG3 GLU 18 HG3 GLU 18 -1.827 10.629 -2.464 150 H GLN 19 H GLN 19 -3.376 6.943 0.055 151 HA GLN 19 HA GLN 19 -0.926 7.271 1.389 152 HB2 GLN 19 HB2 GLN 19 -3.150 6.649 2.413 153 HB3 GLN 19 HB3 GLN 19 -2.900 5.020 1.806 154 HG2 GLN 19 HG2 GLN 19 -2.293 5.173 4.140 155 HG3 GLN 19 HG3 GLN 19 -0.875 4.826 3.148 156 HE21 GLN 19 HE21 GLN 19 -2.541 7.261 5.019 157 HE22 GLN 19 HE22 GLN 19 -1.170 8.296 5.233 158 H ASN 20 H ASN 20 -2.224 4.508 -0.448 159 HA ASN 20 HA ASN 20 0.003 2.821 -0.216 160 HB2 ASN 20 HB2 ASN 20 -2.177 3.062 -2.269 161 HB3 ASN 20 HB3 ASN 20 -0.839 1.950 -2.529 162 HD21 ASN 20 HD21 ASN 20 -3.637 2.667 -0.594 163 HD22 ASN 20 HD22 ASN 20 -3.758 1.112 0.155 164 H TYR 21 H TYR 21 -0.757 5.327 -2.580 165 HA TYR 21 HA TYR 21 1.424 4.980 -4.300 166 HB2 TYR 21 HB2 TYR 21 -0.613 6.435 -4.667 167 HB3 TYR 21 HB3 TYR 21 0.115 7.609 -3.580 168 HD1 TYR 21 HD1 TYR 21 0.420 5.961 -6.855 169 HD2 TYR 21 HD2 TYR 21 1.886 9.048 -4.318 170 HE1 TYR 21 HE1 TYR 21 1.607 6.955 -8.763 171 HE2 TYR 21 HE2 TYR 21 3.079 10.053 -6.221 172 HH TYR 21 HH TYR 21 4.035 9.085 -8.507 173 H HIS 22 H HIS 22 1.036 7.027 -1.428 174 HA HIS 22 HA HIS 22 3.594 8.183 -1.434 175 HB2 HIS 22 HB2 HIS 22 1.632 7.633 0.784 176 HB3 HIS 22 HB3 HIS 22 3.179 8.411 1.086 177 HD1 HIS 22 HD1 HIS 22 1.493 10.355 1.939 178 HD2 HIS 22 HD2 HIS 22 1.703 9.712 -2.170 179 HE1 HIS 22 HE1 HIS 22 0.520 12.421 0.874 180 HE2 HIS 22 HE2 HIS 22 0.638 12.009 -1.613 181 H LEU 23 H LEU 23 2.377 5.335 0.320 182 HA LEU 23 HA LEU 23 4.746 4.696 1.645 183 HB2 LEU 23 HB2 LEU 23 2.528 2.881 0.708 184 HB3 LEU 23 HB3 LEU 23 3.796 2.398 1.816 185 HG LEU 23 HG LEU 23 1.723 4.532 2.332 186 HD11 LEU 23 HD11 LEU 23 2.055 1.764 3.479 187 HD12 LEU 23 HD12 LEU 23 0.789 2.288 2.370 188 HD13 LEU 23 HD13 LEU 23 0.866 2.958 3.999 189 HD21 LEU 23 HD21 LEU 23 3.830 5.064 3.428 190 HD22 LEU 23 HD22 LEU 23 3.901 3.439 4.112 191 HD23 LEU 23 HD23 LEU 23 2.626 4.552 4.612 192 H GLU 24 H GLU 24 3.547 3.591 -1.509 193 HA GLU 24 HA GLU 24 5.566 1.751 -2.081 194 HB2 GLU 24 HB2 GLU 24 3.513 1.954 -3.417 195 HB3 GLU 24 HB3 GLU 24 4.047 3.520 -4.008 196 HG2 GLU 24 HG2 GLU 24 6.066 2.332 -4.946 197 HG3 GLU 24 HG3 GLU 24 5.230 0.824 -4.587 198 H ASN 25 H ASN 25 5.373 5.207 -2.903 199 HA ASN 25 HA ASN 25 7.912 5.213 -4.201 200 HB2 ASN 25 HB2 ASN 25 6.070 7.410 -3.279 201 HB3 ASN 25 HB3 ASN 25 7.644 7.758 -3.990 202 HD21 ASN 25 HD21 ASN 25 4.449 6.502 -4.568 203 HD22 ASN 25 HD22 ASN 25 4.552 6.510 -6.297 204 H GLU 26 H GLU 26 6.808 5.986 -0.957 205 HA GLU 26 HA GLU 26 9.225 7.150 -0.076 206 HB2 GLU 26 HB2 GLU 26 7.032 7.434 1.036 207 HB3 GLU 26 HB3 GLU 26 7.107 5.760 1.568 208 HG2 GLU 26 HG2 GLU 26 8.832 6.183 3.063 209 HG3 GLU 26 HG3 GLU 26 9.283 7.691 2.267 210 H VAL 27 H VAL 27 7.978 3.814 0.134 211 HA VAL 27 HA VAL 27 10.252 2.834 1.532 212 HB VAL 27 HB VAL 27 8.030 1.664 1.460 213 HG11 VAL 27 HG11 VAL 27 7.564 1.819 -0.919 214 HG12 VAL 27 HG12 VAL 27 7.562 0.137 -0.389 215 HG13 VAL 27 HG13 VAL 27 8.946 0.782 -1.272 216 HG21 VAL 27 HG21 VAL 27 8.988 -0.595 1.458 217 HG22 VAL 27 HG22 VAL 27 10.000 0.556 2.327 218 HG23 VAL 27 HG23 VAL 27 10.452 0.036 0.703 219 H ALA 28 H ALA 28 9.481 3.288 -1.865 220 HA ALA 28 HA ALA 28 11.640 1.850 -2.967 221 HB1 ALA 28 HB1 ALA 28 11.325 3.239 -4.954 222 HB2 ALA 28 HB2 ALA 28 10.290 4.328 -4.031 223 HB3 ALA 28 HB3 ALA 28 9.781 2.666 -4.323 224 H ARG 29 H ARG 29 11.361 5.214 -1.882 225 HA ARG 29 HA ARG 29 14.013 5.982 -2.510 226 HB2 ARG 29 HB2 ARG 29 11.842 7.057 -0.782 227 HB3 ARG 29 HB3 ARG 29 13.473 7.622 -0.461 228 HG2 ARG 29 HG2 ARG 29 12.232 9.123 -1.947 229 HG3 ARG 29 HG3 ARG 29 13.670 8.459 -2.718 230 HD2 ARG 29 HD2 ARG 29 12.385 6.958 -4.021 231 HD3 ARG 29 HD3 ARG 29 10.930 7.275 -3.077 232 HE ARG 29 HE ARG 29 11.334 9.689 -4.034 233 HH11 ARG 29 HH11 ARG 29 11.795 6.646 -5.716 234 HH12 ARG 29 HH12 ARG 29 11.284 7.277 -7.259 235 HH21 ARG 29 HH21 ARG 29 10.681 10.518 -6.062 236 HH22 ARG 29 HH22 ARG 29 10.655 9.482 -7.452 237 H LEU 30 H LEU 30 12.527 4.621 0.394 238 HA LEU 30 HA LEU 30 14.801 4.840 2.045 239 HB2 LEU 30 HB2 LEU 30 12.292 4.317 2.600 240 HB3 LEU 30 HB3 LEU 30 12.796 2.651 2.418 241 HG LEU 30 HG LEU 30 14.165 4.547 4.322 242 HD11 LEU 30 HD11 LEU 30 11.808 4.424 4.916 243 HD12 LEU 30 HD12 LEU 30 12.801 3.564 6.093 244 HD13 LEU 30 HD13 LEU 30 11.882 2.662 4.887 245 HD21 LEU 30 HD21 LEU 30 14.049 1.536 4.183 246 HD22 LEU 30 HD22 LEU 30 14.893 2.482 5.406 247 HD23 LEU 30 HD23 LEU 30 15.423 2.542 3.726 248 H LYS 31 H LYS 31 13.577 2.094 0.092 249 HA LYS 31 HA LYS 31 15.657 0.335 0.832 250 HB2 LYS 31 HB2 LYS 31 14.989 -1.077 -0.986 251 HB3 LYS 31 HB3 LYS 31 13.541 -0.403 -0.258 252 HG2 LYS 31 HG2 LYS 31 13.189 1.061 -2.069 253 HG3 LYS 31 HG3 LYS 31 14.806 0.775 -2.715 254 HD2 LYS 31 HD2 LYS 31 14.181 -1.570 -3.159 255 HD3 LYS 31 HD3 LYS 31 12.551 -1.227 -2.573 256 HE2 LYS 31 HE2 LYS 31 12.197 0.358 -4.348 257 HE3 LYS 31 HE3 LYS 31 13.870 0.199 -4.877 258 HZ1 LYS 31 HZ1 LYS 31 13.476 -2.020 -5.577 259 HZ2 LYS 31 HZ2 LYS 31 12.228 -1.073 -6.224 260 HZ3 LYS 31 HZ3 LYS 31 11.934 -2.053 -4.871 261 H LYS 32 H LYS 32 15.409 2.777 -1.674 262 HA LYS 32 HA LYS 32 17.805 2.160 -3.037 263 HB2 LYS 32 HB2 LYS 32 16.098 3.675 -3.950 264 HB3 LYS 32 HB3 LYS 32 16.428 4.827 -2.662 265 HG2 LYS 32 HG2 LYS 32 18.748 5.033 -3.518 266 HG3 LYS 32 HG3 LYS 32 18.291 4.001 -4.874 267 HD2 LYS 32 HD2 LYS 32 16.561 5.629 -5.514 268 HD3 LYS 32 HD3 LYS 32 17.051 6.662 -4.169 269 HE2 LYS 32 HE2 LYS 32 18.050 7.479 -6.205 270 HE3 LYS 32 HE3 LYS 32 19.310 6.821 -5.162 271 HZ1 LYS 32 HZ1 LYS 32 18.061 5.399 -7.453 272 HZ2 LYS 32 HZ2 LYS 32 19.315 4.806 -6.475 273 HZ3 LYS 32 HZ3 LYS 32 19.584 6.148 -7.474 274 H LEU 33 H LEU 33 17.074 4.261 -0.287 275 HA LEU 33 HA LEU 33 19.674 5.337 -0.003 276 HB2 LEU 33 HB2 LEU 33 17.648 6.379 0.930 277 HB3 LEU 33 HB3 LEU 33 17.486 5.045 2.054 278 HG LEU 33 HG LEU 33 19.654 5.680 3.077 279 HD11 LEU 33 HD11 LEU 33 20.638 7.842 2.547 280 HD12 LEU 33 HD12 LEU 33 19.441 8.088 1.276 281 HD13 LEU 33 HD13 LEU 33 20.630 6.794 1.128 282 HD21 LEU 33 HD21 LEU 33 18.817 7.670 4.228 283 HD22 LEU 33 HD22 LEU 33 17.553 6.454 4.040 284 HD23 LEU 33 HD23 LEU 33 17.580 7.867 2.985 285 H VAL 34 H VAL 34 18.026 2.623 1.620 286 HA VAL 34 HA VAL 34 20.241 2.100 3.353 287 HB VAL 34 HB VAL 34 17.946 1.485 4.003 288 HG11 VAL 34 HG11 VAL 34 18.167 -0.627 1.865 289 HG12 VAL 34 HG12 VAL 34 17.087 0.767 1.849 290 HG13 VAL 34 HG13 VAL 34 16.871 -0.500 3.057 291 HG21 VAL 34 HG21 VAL 34 19.793 0.378 5.107 292 HG22 VAL 34 HG22 VAL 34 19.858 -0.841 3.834 293 HG23 VAL 34 HG23 VAL 34 18.455 -0.755 4.899 294 H GLY 35 H GLY 35 19.193 0.818 0.247 295 HA2 GLY 35 HA2 GLY 35 21.026 -1.380 0.261 296 HA3 GLY 35 HA3 GLY 35 20.105 -0.801 -1.118 297 H GLU 36 H GLU 36 20.997 1.815 -1.245 298 HA GLU 36 HA GLU 36 22.604 3.111 -2.159 299 HB2 GLU 36 HB2 GLU 36 24.388 1.329 -0.500 300 HB3 GLU 36 HB3 GLU 36 24.984 2.712 -1.408 301 HG2 GLU 36 HG2 GLU 36 23.517 4.180 -0.104 302 HG3 GLU 36 HG3 GLU 36 22.961 2.782 0.818 303 H ARG 37 H ARG 37 24.915 2.871 -3.304 304 HA ARG 37 HA ARG 37 25.181 0.408 -4.800 305 HB2 ARG 37 HB2 ARG 37 23.543 1.854 -6.082 306 HB3 ARG 37 HB3 ARG 37 24.839 3.024 -6.280 307 HG2 ARG 37 HG2 ARG 37 26.175 1.315 -7.441 308 HG3 ARG 37 HG3 ARG 37 24.824 0.192 -7.289 309 HD2 ARG 37 HD2 ARG 37 23.420 1.831 -8.540 310 HD3 ARG 37 HD3 ARG 37 24.876 2.789 -8.812 311 HE ARG 37 HE ARG 37 24.794 -0.012 -9.699 312 HH11 ARG 37 HH11 ARG 37 25.157 3.396 -10.417 313 HH12 ARG 37 HH12 ARG 37 25.429 3.140 -12.115 314 HH21 ARG 37 HH21 ARG 37 25.148 -0.351 -11.932 315 HH22 ARG 37 HH22 ARG 37 25.422 1.011 -12.975 316 HA2 GLY 0 HA2 GLY 0 -24.342 -1.528 -2.168 317 HA3 GLY 0 HA3 GLY 0 -23.033 -1.840 -1.034 318 H ALA 1 H ALA 1 -26.514 -2.551 -1.389 319 HA ALA 1 HA ALA 1 -26.215 -5.002 0.116 320 HB1 ALA 1 HB1 ALA 1 -28.227 -3.655 0.374 321 HB2 ALA 1 HB2 ALA 1 -28.621 -5.260 -0.241 322 HB3 ALA 1 HB3 ALA 1 -28.604 -3.875 -1.334 323 H GLY 2 H GLY 2 -26.229 -7.069 -0.661 324 HA2 GLY 2 HA2 GLY 2 -26.979 -8.516 -2.565 325 HA3 GLY 2 HA3 GLY 2 -26.187 -7.342 -3.604 326 H SER 3 H SER 3 -25.612 -10.108 -3.565 327 HA SER 3 HA SER 3 -23.269 -10.611 -2.003 328 HB2 SER 3 HB2 SER 3 -23.135 -12.623 -3.634 329 HB3 SER 3 HB3 SER 3 -24.505 -12.528 -2.526 330 HG SER 3 HG SER 3 -24.413 -12.170 -5.303 331 H SER 4 H SER 4 -23.853 -9.026 -4.961 332 HA SER 4 HA SER 4 -21.375 -9.537 -6.241 333 HB2 SER 4 HB2 SER 4 -23.224 -7.168 -6.620 334 HB3 SER 4 HB3 SER 4 -22.029 -7.774 -7.767 335 HG SER 4 HG SER 4 -23.518 -9.836 -7.272 336 H SER 5 H SER 5 -22.641 -6.583 -4.706 337 HA SER 5 HA SER 5 -20.235 -5.195 -4.660 338 HB2 SER 5 HB2 SER 5 -21.421 -3.889 -2.777 339 HB3 SER 5 HB3 SER 5 -22.193 -3.924 -4.361 340 HG SER 5 HG SER 5 -23.120 -4.834 -1.987 341 H LEU 6 H LEU 6 -21.765 -7.219 -2.189 342 HA LEU 6 HA LEU 6 -20.117 -6.773 -0.049 343 HB2 LEU 6 HB2 LEU 6 -22.161 -8.133 0.010 344 HB3 LEU 6 HB3 LEU 6 -21.350 -9.390 -0.904 345 HG LEU 6 HG LEU 6 -19.769 -9.705 0.984 346 HD11 LEU 6 HD11 LEU 6 -21.574 -7.730 2.373 347 HD12 LEU 6 HD12 LEU 6 -19.875 -7.495 1.967 348 HD13 LEU 6 HD13 LEU 6 -20.337 -8.709 3.162 349 HD21 LEU 6 HD21 LEU 6 -21.353 -10.835 2.450 350 HD22 LEU 6 HD22 LEU 6 -21.763 -11.105 0.757 351 HD23 LEU 6 HD23 LEU 6 -22.686 -9.947 1.716 352 H GLU 7 H GLU 7 -19.720 -9.374 -2.456 353 HA GLU 7 HA GLU 7 -17.274 -10.253 -1.352 354 HB2 GLU 7 HB2 GLU 7 -18.778 -11.714 -2.649 355 HB3 GLU 7 HB3 GLU 7 -18.431 -10.776 -4.095 356 HG2 GLU 7 HG2 GLU 7 -16.087 -11.431 -3.966 357 HG3 GLU 7 HG3 GLU 7 -16.422 -12.354 -2.503 358 H ALA 8 H ALA 8 -18.098 -8.300 -4.197 359 HA ALA 8 HA ALA 8 -15.593 -8.090 -5.331 360 HB1 ALA 8 HB1 ALA 8 -17.700 -7.359 -6.393 361 HB2 ALA 8 HB2 ALA 8 -16.417 -6.153 -6.497 362 HB3 ALA 8 HB3 ALA 8 -17.719 -5.954 -5.324 363 H VAL 9 H VAL 9 -17.126 -5.883 -2.994 364 HA VAL 9 HA VAL 9 -14.924 -4.128 -2.860 365 HB VAL 9 HB VAL 9 -17.141 -4.566 -0.852 366 HG11 VAL 9 HG11 VAL 9 -15.201 -2.266 -1.104 367 HG12 VAL 9 HG12 VAL 9 -15.215 -3.474 0.182 368 HG13 VAL 9 HG13 VAL 9 -16.565 -2.352 0.011 369 HG21 VAL 9 HG21 VAL 9 -17.971 -3.880 -3.029 370 HG22 VAL 9 HG22 VAL 9 -16.835 -2.532 -3.057 371 HG23 VAL 9 HG23 VAL 9 -18.135 -2.565 -1.867 372 H ARG 10 H ARG 10 -16.039 -6.669 -0.618 373 HA ARG 10 HA ARG 10 -14.088 -6.389 1.314 374 HB2 ARG 10 HB2 ARG 10 -16.077 -7.795 1.590 375 HB3 ARG 10 HB3 ARG 10 -15.451 -8.929 0.401 376 HG2 ARG 10 HG2 ARG 10 -15.102 -9.787 2.623 377 HG3 ARG 10 HG3 ARG 10 -13.545 -9.401 1.887 378 HD2 ARG 10 HD2 ARG 10 -13.548 -7.251 3.107 379 HD3 ARG 10 HD3 ARG 10 -15.058 -7.722 3.883 380 HE ARG 10 HE ARG 10 -13.101 -9.713 4.308 381 HH11 ARG 10 HH11 ARG 10 -13.955 -6.463 5.307 382 HH12 ARG 10 HH12 ARG 10 -13.187 -6.599 6.860 383 HH21 ARG 10 HH21 ARG 10 -12.064 -9.890 6.339 384 HH22 ARG 10 HH22 ARG 10 -12.079 -8.537 7.433 385 H ARG 11 H ARG 11 -14.066 -8.419 -1.584 386 HA ARG 11 HA ARG 11 -11.689 -9.767 -1.166 387 HB2 ARG 11 HB2 ARG 11 -13.190 -10.475 -2.878 388 HB3 ARG 11 HB3 ARG 11 -13.121 -8.915 -3.678 389 HG2 ARG 11 HG2 ARG 11 -10.804 -9.325 -4.301 390 HG3 ARG 11 HG3 ARG 11 -10.861 -10.894 -3.489 391 HD2 ARG 11 HD2 ARG 11 -12.514 -11.698 -5.015 392 HD3 ARG 11 HD3 ARG 11 -12.716 -10.097 -5.724 393 HE ARG 11 HE ARG 11 -10.167 -10.503 -6.267 394 HH11 ARG 11 HH11 ARG 11 -12.825 -12.776 -6.473 395 HH12 ARG 11 HH12 ARG 11 -12.163 -13.630 -7.834 396 HH21 ARG 11 HH21 ARG 11 -9.292 -11.611 -8.039 397 HH22 ARG 11 HH22 ARG 11 -10.124 -12.985 -8.701 398 H LYS 12 H LYS 12 -12.268 -6.574 -2.586 399 HA LYS 12 HA LYS 12 -9.559 -6.391 -3.514 400 HB2 LYS 12 HB2 LYS 12 -11.757 -5.323 -4.501 401 HB3 LYS 12 HB3 LYS 12 -11.381 -4.027 -3.374 402 HG2 LYS 12 HG2 LYS 12 -10.482 -3.516 -5.553 403 HG3 LYS 12 HG3 LYS 12 -9.159 -3.800 -4.417 404 HD2 LYS 12 HD2 LYS 12 -8.866 -6.046 -5.268 405 HD3 LYS 12 HD3 LYS 12 -10.258 -5.856 -6.329 406 HE2 LYS 12 HE2 LYS 12 -8.244 -5.594 -7.614 407 HE3 LYS 12 HE3 LYS 12 -9.067 -4.039 -7.507 408 HZ1 LYS 12 HZ1 LYS 12 -6.908 -4.758 -5.618 409 HZ2 LYS 12 HZ2 LYS 12 -7.480 -3.215 -6.044 410 HZ3 LYS 12 HZ3 LYS 12 -6.560 -4.112 -7.145 411 H ILE 13 H ILE 13 -11.520 -4.876 -0.958 412 HA ILE 13 HA ILE 13 -9.496 -3.059 -0.222 413 HB ILE 13 HB ILE 13 -10.835 -2.633 1.814 414 HG12 ILE 13 HG12 ILE 13 -13.252 -3.710 1.582 415 HG13 ILE 13 HG13 ILE 13 -12.349 -5.013 0.820 416 HG21 ILE 13 HG21 ILE 13 -12.333 -2.646 -0.797 417 HG22 ILE 13 HG22 ILE 13 -11.243 -1.392 -0.207 418 HG23 ILE 13 HG23 ILE 13 -12.770 -1.693 0.622 419 HD11 ILE 13 HD11 ILE 13 -11.898 -3.947 3.598 420 HD12 ILE 13 HD12 ILE 13 -11.005 -5.263 2.838 421 HD13 ILE 13 HD13 ILE 13 -12.724 -5.448 3.179 422 H ARG 14 H ARG 14 -10.178 -6.352 0.740 423 HA ARG 14 HA ARG 14 -8.648 -6.261 3.127 424 HB2 ARG 14 HB2 ARG 14 -8.816 -8.659 3.164 425 HB3 ARG 14 HB3 ARG 14 -10.366 -7.998 2.671 426 HG2 ARG 14 HG2 ARG 14 -9.963 -8.588 0.387 427 HG3 ARG 14 HG3 ARG 14 -8.311 -9.084 0.758 428 HD2 ARG 14 HD2 ARG 14 -10.862 -10.376 1.711 429 HD3 ARG 14 HD3 ARG 14 -9.696 -11.042 0.567 430 HE ARG 14 HE ARG 14 -9.201 -10.631 3.451 431 HH11 ARG 14 HH11 ARG 14 -8.522 -12.269 0.431 432 HH12 ARG 14 HH12 ARG 14 -7.392 -13.372 1.136 433 HH21 ARG 14 HH21 ARG 14 -7.707 -12.091 4.383 434 HH22 ARG 14 HH22 ARG 14 -6.940 -13.292 3.378 435 H SER 15 H SER 15 -7.922 -6.695 -0.229 436 HA SER 15 HA SER 15 -5.329 -7.801 0.123 437 HB2 SER 15 HB2 SER 15 -6.593 -8.098 -1.969 438 HB3 SER 15 HB3 SER 15 -6.569 -6.357 -2.237 439 HG SER 15 HG SER 15 -4.095 -7.518 -1.833 440 H LEU 16 H LEU 16 -6.692 -4.569 -0.280 441 HA LEU 16 HA LEU 16 -4.299 -3.139 -0.494 442 HB2 LEU 16 HB2 LEU 16 -6.914 -2.287 0.760 443 HB3 LEU 16 HB3 LEU 16 -5.617 -1.208 0.287 444 HG LEU 16 HG LEU 16 -7.240 -2.917 -1.601 445 HD11 LEU 16 HD11 LEU 16 -8.147 -0.758 -2.366 446 HD12 LEU 16 HD12 LEU 16 -7.278 0.047 -1.058 447 HD13 LEU 16 HD13 LEU 16 -8.558 -1.106 -0.686 448 HD21 LEU 16 HD21 LEU 16 -5.125 -0.839 -2.155 449 HD22 LEU 16 HD22 LEU 16 -6.101 -1.671 -3.366 450 HD23 LEU 16 HD23 LEU 16 -4.950 -2.578 -2.383 451 H GLN 17 H GLN 17 -6.242 -4.075 2.306 452 HA GLN 17 HA GLN 17 -4.709 -2.887 4.293 453 HB2 GLN 17 HB2 GLN 17 -6.387 -5.398 4.352 454 HB3 GLN 17 HB3 GLN 17 -5.690 -4.654 5.784 455 HG2 GLN 17 HG2 GLN 17 -6.972 -2.640 5.404 456 HG3 GLN 17 HG3 GLN 17 -7.626 -3.315 3.913 457 HE21 GLN 17 HE21 GLN 17 -9.725 -3.099 4.672 458 HE22 GLN 17 HE22 GLN 17 -10.382 -4.151 5.878 459 H GLU 18 H GLU 18 -4.412 -6.029 2.718 460 HA GLU 18 HA GLU 18 -2.407 -7.110 4.333 461 HB2 GLU 18 HB2 GLU 18 -3.839 -8.224 2.495 462 HB3 GLU 18 HB3 GLU 18 -2.644 -7.606 1.367 463 HG2 GLU 18 HG2 GLU 18 -1.971 -9.399 3.685 464 HG3 GLU 18 HG3 GLU 18 -2.347 -9.989 2.070 465 H GLN 19 H GLN 19 -2.186 -5.357 1.246 466 HA GLN 19 HA GLN 19 0.574 -5.272 1.036 467 HB2 GLN 19 HB2 GLN 19 -0.895 -4.691 -0.808 468 HB3 GLN 19 HB3 GLN 19 -1.499 -3.297 0.073 469 HG2 GLN 19 HG2 GLN 19 0.559 -2.159 -0.129 470 HG3 GLN 19 HG3 GLN 19 1.384 -3.610 -0.695 471 HE21 GLN 19 HE21 GLN 19 -0.841 -1.055 -1.554 472 HE22 GLN 19 HE22 GLN 19 -0.761 -1.310 -3.264 473 H ASN 20 H ASN 20 -1.651 -2.947 2.534 474 HA ASN 20 HA ASN 20 0.199 -1.016 3.295 475 HB2 ASN 20 HB2 ASN 20 -2.471 -1.857 4.392 476 HB3 ASN 20 HB3 ASN 20 -1.521 -0.624 5.216 477 HD21 ASN 20 HD21 ASN 20 -1.317 -0.908 1.776 478 HD22 ASN 20 HD22 ASN 20 -2.212 0.519 1.402 479 H TYR 21 H TYR 21 -1.094 -3.715 5.196 480 HA TYR 21 HA TYR 21 0.409 -3.295 7.496 481 HB2 TYR 21 HB2 TYR 21 -1.537 -4.755 7.440 482 HB3 TYR 21 HB3 TYR 21 -0.722 -5.847 6.327 483 HD1 TYR 21 HD1 TYR 21 -0.720 -4.571 9.799 484 HD2 TYR 21 HD2 TYR 21 0.734 -7.544 7.126 485 HE1 TYR 21 HE1 TYR 21 0.115 -5.874 11.709 486 HE2 TYR 21 HE2 TYR 21 1.569 -8.855 9.029 487 HH TYR 21 HH TYR 21 0.653 -8.268 12.212 488 H HIS 22 H HIS 22 1.021 -5.420 4.719 489 HA HIS 22 HA HIS 22 3.346 -6.617 5.664 490 HB2 HIS 22 HB2 HIS 22 1.816 -6.976 3.483 491 HB3 HIS 22 HB3 HIS 22 3.150 -6.093 2.753 492 HD1 HIS 22 HD1 HIS 22 2.086 -9.386 3.428 493 HD2 HIS 22 HD2 HIS 22 5.762 -7.445 3.547 494 HE1 HIS 22 HE1 HIS 22 3.818 -11.211 3.349 495 HE2 HIS 22 HE2 HIS 22 6.036 -10.011 3.297 496 H LEU 23 H LEU 23 2.952 -3.777 3.557 497 HA LEU 23 HA LEU 23 5.657 -3.274 3.148 498 HB2 LEU 23 HB2 LEU 23 3.303 -1.393 3.202 499 HB3 LEU 23 HB3 LEU 23 4.913 -0.908 2.714 500 HG LEU 23 HG LEU 23 3.203 -2.982 1.335 501 HD11 LEU 23 HD11 LEU 23 2.376 -0.720 0.999 502 HD12 LEU 23 HD12 LEU 23 3.102 -1.341 -0.483 503 HD13 LEU 23 HD13 LEU 23 3.985 -0.186 0.516 504 HD21 LEU 23 HD21 LEU 23 4.962 -2.933 -0.393 505 HD22 LEU 23 HD22 LEU 23 5.558 -3.536 1.155 506 HD23 LEU 23 HD23 LEU 23 5.930 -1.888 0.649 507 H GLU 24 H GLU 24 3.449 -1.877 5.573 508 HA GLU 24 HA GLU 24 5.354 -0.164 6.700 509 HB2 GLU 24 HB2 GLU 24 2.935 0.128 7.009 510 HB3 GLU 24 HB3 GLU 24 2.878 -1.343 7.971 511 HG2 GLU 24 HG2 GLU 24 4.211 -0.345 9.692 512 HG3 GLU 24 HG3 GLU 24 4.501 1.082 8.699 513 H ASN 25 H ASN 25 4.328 -3.439 7.557 514 HA ASN 25 HA ASN 25 5.791 -3.676 9.929 515 HB2 ASN 25 HB2 ASN 25 4.013 -5.249 9.291 516 HB3 ASN 25 HB3 ASN 25 4.997 -5.834 7.956 517 HD21 ASN 25 HD21 ASN 25 6.588 -7.307 8.331 518 HD22 ASN 25 HD22 ASN 25 6.860 -8.029 9.883 519 H GLU 26 H GLU 26 6.617 -4.578 6.603 520 HA GLU 26 HA GLU 26 9.165 -5.593 7.289 521 HB2 GLU 26 HB2 GLU 26 7.609 -5.162 4.829 522 HB3 GLU 26 HB3 GLU 26 9.353 -5.076 4.624 523 HG2 GLU 26 HG2 GLU 26 8.138 -7.334 4.328 524 HG3 GLU 26 HG3 GLU 26 9.673 -7.279 5.192 525 H VAL 27 H VAL 27 8.051 -2.453 6.032 526 HA VAL 27 HA VAL 27 10.658 -1.474 5.562 527 HB VAL 27 HB VAL 27 8.549 -0.504 4.572 528 HG11 VAL 27 HG11 VAL 27 7.175 -0.339 6.552 529 HG12 VAL 27 HG12 VAL 27 7.395 1.258 5.834 530 HG13 VAL 27 HG13 VAL 27 8.305 0.800 7.276 531 HG21 VAL 27 HG21 VAL 27 10.699 0.609 4.376 532 HG22 VAL 27 HG22 VAL 27 10.434 1.419 5.920 533 HG23 VAL 27 HG23 VAL 27 9.392 1.784 4.546 534 H ALA 28 H ALA 28 8.558 -1.534 8.378 535 HA ALA 28 HA ALA 28 10.034 0.217 10.005 536 HB1 ALA 28 HB1 ALA 28 7.777 -0.533 10.581 537 HB2 ALA 28 HB2 ALA 28 8.913 -0.884 11.883 538 HB3 ALA 28 HB3 ALA 28 8.371 -2.176 10.810 539 H ARG 29 H ARG 29 10.181 -3.274 9.505 540 HA ARG 29 HA ARG 29 12.245 -3.892 11.258 541 HB2 ARG 29 HB2 ARG 29 10.791 -5.501 9.963 542 HB3 ARG 29 HB3 ARG 29 11.768 -5.146 8.547 543 HG2 ARG 29 HG2 ARG 29 13.766 -5.901 9.900 544 HG3 ARG 29 HG3 ARG 29 12.610 -6.515 11.083 545 HD2 ARG 29 HD2 ARG 29 12.986 -7.368 8.224 546 HD3 ARG 29 HD3 ARG 29 13.155 -8.341 9.683 547 HE ARG 29 HE ARG 29 10.677 -7.603 8.338 548 HH11 ARG 29 HH11 ARG 29 12.189 -9.023 11.158 549 HH12 ARG 29 HH12 ARG 29 10.773 -9.904 11.632 550 HH21 ARG 29 HH21 ARG 29 8.836 -8.763 8.917 551 HH22 ARG 29 HH22 ARG 29 8.851 -9.752 10.359 552 H LEU 30 H LEU 30 12.299 -2.916 7.865 553 HA LEU 30 HA LEU 30 15.045 -3.165 7.444 554 HB2 LEU 30 HB2 LEU 30 13.384 -3.024 5.647 555 HB3 LEU 30 HB3 LEU 30 13.049 -1.359 6.077 556 HG LEU 30 HG LEU 30 15.361 -0.747 5.449 557 HD11 LEU 30 HD11 LEU 30 16.741 -2.350 4.226 558 HD12 LEU 30 HD12 LEU 30 15.548 -3.613 4.525 559 HD13 LEU 30 HD13 LEU 30 16.434 -2.901 5.873 560 HD21 LEU 30 HD21 LEU 30 13.814 -2.198 3.307 561 HD22 LEU 30 HD22 LEU 30 15.058 -0.976 3.036 562 HD23 LEU 30 HD23 LEU 30 13.547 -0.537 3.834 563 H LYS 31 H LYS 31 13.101 -0.285 8.267 564 HA LYS 31 HA LYS 31 15.281 1.490 8.163 565 HB2 LYS 31 HB2 LYS 31 13.823 3.127 9.162 566 HB3 LYS 31 HB3 LYS 31 12.904 2.199 7.989 567 HG2 LYS 31 HG2 LYS 31 12.001 0.842 9.873 568 HG3 LYS 31 HG3 LYS 31 12.810 1.950 10.984 569 HD2 LYS 31 HD2 LYS 31 11.538 3.821 9.978 570 HD3 LYS 31 HD3 LYS 31 10.674 2.657 8.971 571 HE2 LYS 31 HE2 LYS 31 9.891 1.529 11.042 572 HE3 LYS 31 HE3 LYS 31 10.659 2.804 11.986 573 HZ1 LYS 31 HZ1 LYS 31 8.396 3.088 10.085 574 HZ2 LYS 31 HZ2 LYS 31 9.214 4.406 10.767 575 HZ3 LYS 31 HZ3 LYS 31 8.365 3.328 11.763 576 H LYS 32 H LYS 32 13.935 -0.500 10.724 577 HA LYS 32 HA LYS 32 15.468 0.674 12.823 578 HB2 LYS 32 HB2 LYS 32 13.448 -0.635 13.281 579 HB3 LYS 32 HB3 LYS 32 14.210 -2.073 12.616 580 HG2 LYS 32 HG2 LYS 32 14.261 -2.184 15.012 581 HG3 LYS 32 HG3 LYS 32 15.905 -1.960 14.415 582 HD2 LYS 32 HD2 LYS 32 15.718 0.453 14.899 583 HD3 LYS 32 HD3 LYS 32 14.105 0.176 15.559 584 HE2 LYS 32 HE2 LYS 32 16.707 -0.935 16.599 585 HE3 LYS 32 HE3 LYS 32 15.706 0.299 17.362 586 HZ1 LYS 32 HZ1 LYS 32 13.919 -1.405 17.502 587 HZ2 LYS 32 HZ2 LYS 32 15.286 -1.761 18.439 588 HZ3 LYS 32 HZ3 LYS 32 15.037 -2.565 16.969 589 H LEU 33 H LEU 33 15.927 -2.071 10.654 590 HA LEU 33 HA LEU 33 18.182 -3.210 11.852 591 HB2 LEU 33 HB2 LEU 33 16.687 -4.118 9.992 592 HB3 LEU 33 HB3 LEU 33 17.633 -3.150 8.887 593 HG LEU 33 HG LEU 33 18.249 -5.578 8.977 594 HD11 LEU 33 HD11 LEU 33 19.826 -3.983 8.085 595 HD12 LEU 33 HD12 LEU 33 20.677 -5.212 9.022 596 HD13 LEU 33 HD13 LEU 33 20.407 -3.608 9.708 597 HD21 LEU 33 HD21 LEU 33 19.353 -4.866 11.688 598 HD22 LEU 33 HD22 LEU 33 19.531 -6.407 10.850 599 HD23 LEU 33 HD23 LEU 33 17.940 -5.876 11.395 600 H VAL 34 H VAL 34 17.981 -0.802 9.228 601 HA VAL 34 HA VAL 34 20.800 -0.611 8.909 602 HB VAL 34 HB VAL 34 19.238 -0.023 7.102 603 HG11 VAL 34 HG11 VAL 34 18.027 2.078 7.110 604 HG12 VAL 34 HG12 VAL 34 18.597 2.417 8.746 605 HG13 VAL 34 HG13 VAL 34 17.513 1.057 8.454 606 HG21 VAL 34 HG21 VAL 34 20.366 2.034 6.350 607 HG22 VAL 34 HG22 VAL 34 21.492 0.833 6.982 608 HG23 VAL 34 HG23 VAL 34 21.049 2.230 7.964 609 H GLY 35 H GLY 35 18.540 0.940 11.035 610 HA2 GLY 35 HA2 GLY 35 20.098 3.238 11.654 611 HA3 GLY 35 HA3 GLY 35 18.784 2.585 12.627 612 H GLU 36 H GLU 36 20.115 -0.051 12.810 613 HA GLU 36 HA GLU 36 21.807 0.639 15.076 614 HB2 GLU 36 HB2 GLU 36 20.715 -2.027 14.175 615 HB3 GLU 36 HB3 GLU 36 21.606 -1.742 15.662 616 HG2 GLU 36 HG2 GLU 36 19.830 -0.245 16.431 617 HG3 GLU 36 HG3 GLU 36 18.933 -0.560 14.946 618 H ARG 37 H ARG 37 23.943 0.631 14.953 619 HA ARG 37 HA ARG 37 25.213 -1.120 12.952 620 HB2 ARG 37 HB2 ARG 37 25.689 1.257 12.547 621 HB3 ARG 37 HB3 ARG 37 26.292 1.422 14.190 622 HG2 ARG 37 HG2 ARG 37 28.054 -0.232 13.667 623 HG3 ARG 37 HG3 ARG 37 27.491 -0.251 11.996 624 HD2 ARG 37 HD2 ARG 37 28.068 2.040 11.698 625 HD3 ARG 37 HD3 ARG 37 28.376 2.247 13.421 626 HE ARG 37 HE ARG 37 30.070 0.770 11.525 627 HH11 ARG 37 HH11 ARG 37 29.588 2.337 14.616 628 HH12 ARG 37 HH12 ARG 37 31.218 2.076 15.157 629 HH21 ARG 37 HH21 ARG 37 32.237 0.438 12.223 630 HH22 ARG 37 HH22 ARG 37 32.711 0.966 13.812
Contact the webmaster for help, if required. Thursday, May 23, 2024 10:08:32 PM GMT (wattos1)