NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
615778 | 5nb9 | 34110 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 1H MET 1 29.408 -4.518 2.643 2 H2 MET 1 2H MET 1 30.098 -3.398 1.618 3 H3 MET 1 3H MET 1 30.771 -4.967 1.706 4 HA MET 1 HA MET 1 29.478 -4.649 -0.293 5 HB2 MET 1 1HB MET 1 27.977 -6.344 1.739 6 HB3 MET 1 2HB MET 1 27.801 -6.458 -0.005 7 HG2 MET 1 1HG MET 1 30.213 -7.168 1.644 8 HG3 MET 1 2HG MET 1 29.181 -8.258 0.715 9 HE1 MET 1 1HE MET 1 31.233 -9.356 -0.535 10 HE2 MET 1 2HE MET 1 32.329 -8.356 0.418 11 HE3 MET 1 3HE MET 1 32.498 -8.425 -1.336 12 H GLY 2 H GLY 2 27.007 -4.593 -0.987 13 HA2 GLY 2 1HA GLY 2 24.900 -3.639 -0.719 14 HA3 GLY 2 2HA GLY 2 25.458 -2.846 0.749 15 H SER 3 H SER 3 24.190 -2.000 -1.948 16 HA SER 3 HA SER 3 26.123 -0.205 -3.038 17 HB2 SER 3 1HB SER 3 24.346 -1.255 -4.437 18 HB3 SER 3 2HB SER 3 23.125 -0.380 -3.518 19 HG SER 3 HG SER 3 24.195 0.463 -5.660 20 H SER 4 H SER 4 22.874 0.485 -1.597 21 HA SER 4 HA SER 4 23.689 3.096 -0.983 22 HB2 SER 4 1HB SER 4 21.397 3.110 0.171 23 HB3 SER 4 2HB SER 4 21.410 2.798 -1.561 24 HG SER 4 HG SER 4 20.077 1.390 -0.253 25 H HIS 5 H HIS 5 24.565 3.860 0.796 26 HA HIS 5 HA HIS 5 25.075 1.981 3.001 27 HB2 HIS 5 1HB HIS 5 26.673 4.454 2.209 28 HB3 HIS 5 2HB HIS 5 27.102 3.312 3.480 29 HD1 HIS 5 HD1 HIS 5 28.204 4.098 0.257 30 HD2 HIS 5 HD2 HIS 5 27.118 0.506 2.047 31 HE1 HIS 5 HE1 HIS 5 29.231 2.305 -1.155 32 HE2 HIS 5 HE2 HIS 5 28.058 0.252 -0.312 33 H HIS 6 H HIS 6 24.542 2.633 5.105 34 HA HIS 6 HA HIS 6 23.091 3.576 6.621 35 HB2 HIS 6 1HB HIS 6 24.704 5.534 6.480 36 HB3 HIS 6 2HB HIS 6 23.793 6.170 5.123 37 HD1 HIS 6 HD1 HIS 6 23.518 5.681 8.884 38 HD2 HIS 6 HD2 HIS 6 21.638 7.786 5.822 39 HE1 HIS 6 HE1 HIS 6 21.913 7.240 10.018 40 HE2 HIS 6 HE2 HIS 6 20.592 8.241 8.122 41 H HIS 7 H HIS 7 22.081 2.294 4.589 42 HA HIS 7 HA HIS 7 20.445 3.794 2.922 43 HB2 HIS 7 1HB HIS 7 19.541 1.665 2.035 44 HB3 HIS 7 2HB HIS 7 21.269 1.890 1.932 45 HD1 HIS 7 HD1 HIS 7 22.436 -0.158 2.267 46 HD2 HIS 7 HD2 HIS 7 18.944 -0.079 4.503 47 HE1 HIS 7 HE1 HIS 7 22.337 -2.400 3.432 48 HE2 HIS 7 HE2 HIS 7 20.335 -2.226 4.941 49 H HIS 8 H HIS 8 19.067 4.937 3.603 50 HA HIS 8 HA HIS 8 17.137 5.727 4.168 51 HB2 HIS 8 1HB HIS 8 16.242 3.117 2.980 52 HB3 HIS 8 2HB HIS 8 15.104 4.379 3.442 53 HD1 HIS 8 HD1 HIS 8 17.455 3.408 0.687 54 HD2 HIS 8 HD2 HIS 8 15.361 6.822 1.903 55 HE1 HIS 8 HE1 HIS 8 17.488 4.974 -1.268 56 HE2 HIS 8 HE2 HIS 8 15.841 6.782 -0.622 57 H HIS 9 H HIS 9 15.929 2.531 5.291 58 HA HIS 9 HA HIS 9 16.081 3.208 8.044 59 HB2 HIS 9 1HB HIS 9 14.600 5.049 7.606 60 HB3 HIS 9 2HB HIS 9 13.513 4.034 6.669 61 HD1 HIS 9 HD1 HIS 9 11.653 2.822 7.940 62 HD2 HIS 9 HD2 HIS 9 14.472 4.582 10.459 63 HE1 HIS 9 HE1 HIS 9 10.722 2.605 10.241 64 HE2 HIS 9 HE2 HIS 9 12.635 3.298 11.720 65 H HIS 10 H HIS 10 15.966 1.252 9.015 66 HA HIS 10 HA HIS 10 13.750 -0.567 8.285 67 HB2 HIS 10 1HB HIS 10 16.064 -1.621 8.052 68 HB3 HIS 10 2HB HIS 10 16.377 -1.241 9.733 69 HD1 HIS 10 HD1 HIS 10 14.827 -3.927 7.540 70 HD2 HIS 10 HD2 HIS 10 14.839 -2.942 11.595 71 HE1 HIS 10 HE1 HIS 10 14.231 -5.957 8.709 72 HE2 HIS 10 HE2 HIS 10 13.588 -5.119 10.860 73 H SER 11 H SER 11 12.473 -1.279 10.135 74 HA SER 11 HA SER 11 12.715 0.423 12.591 75 HB2 SER 11 1HB SER 11 10.365 -0.013 12.782 76 HB3 SER 11 2HB SER 11 10.690 0.634 11.201 77 HG SER 11 HG SER 11 10.798 -2.084 11.011 78 H GLN 12 H GLN 12 10.833 -1.711 13.468 79 HA GLN 12 HA GLN 12 12.834 -3.409 14.622 80 HB2 GLN 12 1HB GLN 12 11.311 -2.675 16.732 81 HB3 GLN 12 2HB GLN 12 12.927 -2.050 16.354 82 HG2 GLN 12 1HG GLN 12 11.562 -0.093 16.807 83 HG3 GLN 12 2HG GLN 12 11.769 -0.221 15.041 84 HE21 GLN 12 1HE2 GLN 12 8.091 -0.649 16.679 85 HE22 GLN 12 2HE2 GLN 12 9.505 -0.670 17.677 86 H ASP 13 H ASP 13 11.172 -3.813 12.707 87 HA ASP 13 HA ASP 13 8.658 -4.652 13.112 88 HB2 ASP 13 1HB ASP 13 9.640 -6.020 11.106 89 HB3 ASP 13 2HB ASP 13 9.035 -4.388 10.800 90 HA PRO 14 HA PRO 14 9.612 -8.766 14.739 91 HB2 PRO 14 2HB PRO 14 6.942 -9.615 13.932 92 HB3 PRO 14 1HB PRO 14 7.532 -9.248 15.565 93 HG2 PRO 14 2HG PRO 14 5.715 -7.689 14.382 94 HG3 PRO 14 1HG PRO 14 6.976 -7.018 15.441 95 HD2 PRO 14 2HD PRO 14 6.977 -7.220 12.457 96 HD3 PRO 14 1HD PRO 14 7.277 -5.763 13.403 97 H MET 15 H MET 15 8.075 -8.454 11.583 98 HA MET 15 HA MET 15 8.487 -10.954 10.690 99 HB2 MET 15 1HB MET 15 7.870 -8.378 9.364 100 HB3 MET 15 2HB MET 15 8.389 -9.727 8.306 101 HG2 MET 15 1HG MET 15 6.255 -9.471 10.295 102 HG3 MET 15 2HG MET 15 6.124 -9.217 8.560 103 HE1 MET 15 1HE MET 15 6.738 -12.824 7.086 104 HE2 MET 15 2HE MET 15 7.935 -11.562 7.345 105 HE3 MET 15 3HE MET 15 6.334 -11.144 6.730 106 H GLU 16 H GLU 16 10.464 -8.053 10.320 107 HA GLU 16 HA GLU 16 12.621 -7.630 9.918 108 HB2 GLU 16 1HB GLU 16 12.637 -9.754 11.596 109 HB3 GLU 16 2HB GLU 16 13.442 -10.495 10.234 110 HG2 GLU 16 1HG GLU 16 14.398 -7.960 11.566 111 HG3 GLU 16 2HG GLU 16 14.927 -9.565 12.041 112 H ASN 17 H ASN 17 14.503 -8.213 8.354 113 HA ASN 17 HA ASN 17 13.284 -8.800 5.738 114 HB2 ASN 17 1HB ASN 17 14.623 -6.697 6.265 115 HB3 ASN 17 2HB ASN 17 15.949 -7.771 6.425 116 HD21 ASN 17 1HD2 ASN 17 14.501 -6.820 2.694 117 HD22 ASN 17 2HD2 ASN 17 13.694 -6.502 4.208 118 H GLN 18 H GLN 18 13.483 -10.874 7.053 119 HA GLN 18 HA GLN 18 15.871 -12.235 6.973 120 HB2 GLN 18 1HB GLN 18 13.130 -12.618 7.689 121 HB3 GLN 18 2HB GLN 18 13.972 -14.097 7.413 122 HG2 GLN 18 1HG GLN 18 14.671 -11.799 9.284 123 HG3 GLN 18 2HG GLN 18 14.102 -13.390 9.803 124 HE21 GLN 18 1HE2 GLN 18 17.891 -12.803 9.892 125 HE22 GLN 18 2HE2 GLN 18 16.614 -11.671 10.150 126 HA PRO 19 HA PRO 19 14.631 -14.585 2.995 127 HB2 PRO 19 2HB PRO 19 11.885 -13.653 2.411 128 HB3 PRO 19 1HB PRO 19 12.510 -15.330 2.311 129 HG2 PRO 19 2HG PRO 19 10.808 -14.591 4.175 130 HG3 PRO 19 1HG PRO 19 12.157 -15.680 4.556 131 HD2 PRO 19 2HD PRO 19 11.909 -12.766 5.235 132 HD3 PRO 19 1HD PRO 19 12.577 -14.122 6.119 133 H LYS 20 H LYS 20 15.608 -13.624 1.120 134 HA LYS 20 HA LYS 20 15.561 -11.043 0.765 135 HB2 LYS 20 1HB LYS 20 16.293 -13.392 -0.822 136 HB3 LYS 20 2HB LYS 20 16.693 -11.767 -1.282 137 HG2 LYS 20 1HG LYS 20 17.443 -13.295 1.098 138 HG3 LYS 20 2HG LYS 20 18.654 -12.795 -0.119 139 HD2 LYS 20 1HD LYS 20 19.019 -10.977 1.402 140 HD3 LYS 20 2HD LYS 20 17.342 -10.653 0.863 141 HE2 LYS 20 1HE LYS 20 16.321 -11.455 2.567 142 HE3 LYS 20 2HE LYS 20 17.563 -12.513 3.154 143 HZ1 LYS 20 1HZ LYS 20 18.734 -10.340 3.892 144 HZ2 LYS 20 2HZ LYS 20 17.246 -10.674 4.616 145 HZ3 LYS 20 3HZ LYS 20 17.297 -9.536 3.459 146 H LEU 21 H LEU 21 13.651 -10.047 0.252 147 HA LEU 21 HA LEU 21 11.445 -10.160 -0.150 148 HB2 LEU 21 1HB LEU 21 13.265 -8.969 -1.975 149 HB3 LEU 21 2HB LEU 21 11.663 -8.359 -1.968 150 HG LEU 21 HG LEU 21 13.864 -8.129 -0.320 151 HD11 LEU 21 1HD1 LEU 21 13.098 -6.161 -0.081 152 HD12 LEU 21 2HD1 LEU 21 11.478 -6.784 -0.046 153 HD13 LEU 21 3HD1 LEU 21 12.397 -6.646 -1.693 154 HD21 LEU 21 1HD2 LEU 21 12.714 -7.488 1.494 155 HD22 LEU 21 2HD2 LEU 21 12.556 -9.289 1.226 156 HD23 LEU 21 3HD2 LEU 21 11.253 -8.128 0.661 157 H ASN 22 H ASN 22 12.759 -11.721 -2.756 158 HA ASN 22 HA ASN 22 11.992 -13.380 -4.010 159 HB2 ASN 22 1HB ASN 22 9.851 -13.394 -1.914 160 HB3 ASN 22 2HB ASN 22 10.169 -14.723 -3.151 161 HD21 ASN 22 1HD2 ASN 22 13.033 -14.874 -1.096 162 HD22 ASN 22 2HD2 ASN 22 12.937 -14.419 -2.775 163 H SER 23 H SER 23 11.019 -10.581 -4.045 164 HA SER 23 HA SER 23 10.476 -9.308 -5.786 165 HB2 SER 23 1HB SER 23 10.077 -10.194 -8.085 166 HB3 SER 23 2HB SER 23 11.479 -10.874 -7.303 167 HG SER 23 HG SER 23 9.598 -12.540 -6.685 168 H SER 24 H SER 24 8.262 -10.649 -3.999 169 HA SER 24 HA SER 24 6.443 -8.619 -4.836 170 HB2 SER 24 1HB SER 24 5.390 -11.479 -4.987 171 HB3 SER 24 2HB SER 24 4.403 -10.030 -5.075 172 HG SER 24 HG SER 24 6.486 -10.148 -6.873 173 H LYS 25 H LYS 25 5.625 -11.589 -2.929 174 HA LYS 25 HA LYS 25 4.112 -10.396 -1.053 175 HB2 LYS 25 1HB LYS 25 4.280 -12.645 -1.908 176 HB3 LYS 25 2HB LYS 25 5.862 -12.743 -1.256 177 HG2 LYS 25 1HG LYS 25 4.219 -13.795 0.063 178 HG3 LYS 25 2HG LYS 25 5.216 -12.497 0.798 179 HD2 LYS 25 1HD LYS 25 3.575 -10.956 0.865 180 HD3 LYS 25 2HD LYS 25 2.715 -12.050 -0.266 181 HE2 LYS 25 1HE LYS 25 1.803 -12.062 2.110 182 HE3 LYS 25 2HE LYS 25 2.333 -13.498 1.164 183 HZ1 LYS 25 1HZ LYS 25 4.170 -12.188 3.149 184 HZ2 LYS 25 2HZ LYS 25 4.410 -13.609 2.477 185 HZ3 LYS 25 3HZ LYS 25 3.199 -13.452 3.667 186 H GLU 26 H GLU 26 7.205 -11.778 -0.533 187 HA GLU 26 HA GLU 26 7.181 -10.507 1.892 188 HB2 GLU 26 1HB GLU 26 8.836 -12.580 0.791 189 HB3 GLU 26 2HB GLU 26 9.769 -11.505 1.831 190 HG2 GLU 26 1HG GLU 26 8.655 -13.522 2.947 191 HG3 GLU 26 2HG GLU 26 8.440 -11.954 3.712 192 H VAL 27 H VAL 27 7.823 -9.029 -0.838 193 HA VAL 27 HA VAL 27 9.748 -7.157 0.355 194 HB VAL 27 HB VAL 27 10.338 -6.554 -1.624 195 HG11 VAL 27 1HG1 VAL 27 9.955 -8.805 -1.857 196 HG12 VAL 27 2HG1 VAL 27 10.000 -7.835 -3.394 197 HG13 VAL 27 3HG1 VAL 27 8.397 -8.419 -2.666 198 HG21 VAL 27 1HG2 VAL 27 8.932 -5.590 -3.225 199 HG22 VAL 27 2HG2 VAL 27 8.460 -5.198 -1.508 200 HG23 VAL 27 3HG2 VAL 27 7.545 -6.413 -2.438 201 H ILE 28 H ILE 28 6.197 -7.600 0.085 202 HA ILE 28 HA ILE 28 5.655 -5.014 0.678 203 HB ILE 28 HB ILE 28 4.581 -7.646 1.446 204 HG12 ILE 28 1HG1 ILE 28 3.422 -7.459 -0.709 205 HG13 ILE 28 2HG1 ILE 28 2.769 -6.435 0.418 206 HG21 ILE 28 1HG2 ILE 28 3.202 -4.993 2.129 207 HG22 ILE 28 2HG2 ILE 28 3.974 -6.117 3.247 208 HG23 ILE 28 3HG2 ILE 28 2.515 -6.602 2.386 209 HD11 ILE 28 1HD1 ILE 28 3.355 -5.308 -1.744 210 HD12 ILE 28 2HD1 ILE 28 4.949 -5.305 -0.947 211 HD13 ILE 28 3HD1 ILE 28 3.666 -4.412 -0.191 212 H ALA 29 H ALA 29 6.564 -7.785 2.275 213 HA ALA 29 HA ALA 29 6.512 -6.903 4.742 214 HB1 ALA 29 1HB ALA 29 8.385 -8.883 3.708 215 HB2 ALA 29 2HB ALA 29 6.649 -9.067 3.848 216 HB3 ALA 29 3HB ALA 29 7.644 -8.832 5.355 217 H PHE 30 H PHE 30 9.233 -6.713 2.434 218 HA PHE 30 HA PHE 30 11.022 -5.493 4.188 219 HB2 PHE 30 2HB PHE 30 12.050 -6.047 2.358 220 HB3 PHE 30 1HB PHE 30 10.549 -5.893 1.401 221 HD1 PHE 30 1HD PHE 30 10.415 -4.383 -0.174 222 HD2 PHE 30 2HD PHE 30 13.027 -3.693 3.162 223 HE1 PHE 30 1HE PHE 30 11.158 -2.398 -1.098 224 HE2 PHE 30 2HE PHE 30 13.753 -1.681 2.128 225 HZ PHE 30 HZ PHE 30 12.840 -1.053 0.001 226 H LEU 31 H LEU 31 8.651 -4.403 1.878 227 HA LEU 31 HA LEU 31 8.928 -1.725 2.086 228 HB2 LEU 31 1HB LEU 31 6.778 -3.582 1.601 229 HB3 LEU 31 2HB LEU 31 6.249 -1.913 1.528 230 HG LEU 31 HG LEU 31 8.140 -3.469 -0.081 231 HD11 LEU 31 1HD1 LEU 31 5.679 -3.051 -0.472 232 HD12 LEU 31 2HD1 LEU 31 6.982 -3.034 -1.702 233 HD13 LEU 31 3HD1 LEU 31 6.244 -1.492 -1.266 234 HD21 LEU 31 1HD2 LEU 31 8.232 -0.579 0.448 235 HD22 LEU 31 2HD2 LEU 31 8.607 -1.207 -1.167 236 HD23 LEU 31 3HD2 LEU 31 9.508 -1.833 0.233 237 H ALA 32 H ALA 32 7.342 -3.867 4.050 238 HA ALA 32 HA ALA 32 6.085 -1.920 5.753 239 HB1 ALA 32 1HB ALA 32 5.180 -3.724 6.750 240 HB2 ALA 32 2HB ALA 32 6.574 -4.748 6.151 241 HB3 ALA 32 3HB ALA 32 5.375 -4.088 5.028 242 H GLU 33 H GLU 33 9.058 -3.680 5.875 243 HA GLU 33 HA GLU 33 9.435 -3.332 8.661 244 HB2 GLU 33 1HB GLU 33 11.492 -4.506 8.348 245 HB3 GLU 33 2HB GLU 33 10.152 -4.864 7.175 246 HG2 GLU 33 1HG GLU 33 11.066 -3.865 5.475 247 HG3 GLU 33 2HG GLU 33 12.113 -2.845 6.391 248 H ARG 34 H ARG 34 9.932 -1.883 5.934 249 HA ARG 34 HA ARG 34 11.893 0.116 6.501 250 HB2 ARG 34 1HB ARG 34 11.237 -1.513 4.592 251 HB3 ARG 34 2HB ARG 34 10.421 -0.244 3.856 252 HG2 ARG 34 1HG ARG 34 12.533 -0.091 2.981 253 HG3 ARG 34 2HG ARG 34 12.562 0.916 4.504 254 HD2 ARG 34 1HD ARG 34 13.724 -0.549 5.697 255 HD3 ARG 34 2HD ARG 34 13.185 -1.876 4.669 256 HE ARG 34 HE ARG 34 14.962 0.052 3.464 257 HH11 ARG 34 1HH1 ARG 34 14.761 -3.182 5.019 258 HH12 ARG 34 2HH1 ARG 34 16.192 -3.693 4.344 259 HH21 ARG 34 1HH2 ARG 34 16.956 -0.646 2.652 260 HH22 ARG 34 2HH2 ARG 34 17.475 -2.248 2.915 261 H PHE 35 H PHE 35 8.425 -0.055 5.472 262 HA PHE 35 HA PHE 35 8.047 2.678 6.312 263 HB2 PHE 35 2HB PHE 35 7.246 0.755 4.459 264 HB3 PHE 35 1HB PHE 35 6.039 1.916 4.530 265 HD1 PHE 35 1HD PHE 35 8.212 4.291 4.673 266 HD2 PHE 35 2HD PHE 35 7.996 0.652 2.530 267 HE1 PHE 35 1HE PHE 35 9.824 5.133 3.036 268 HE2 PHE 35 2HE PHE 35 9.494 1.412 0.978 269 HZ PHE 35 HZ PHE 35 10.497 3.633 1.113 270 HA PRO 36 HA PRO 36 5.584 -0.146 9.524 271 HB2 PRO 36 2HB PRO 36 6.148 2.374 10.923 272 HB3 PRO 36 1HB PRO 36 6.401 0.688 11.489 273 HG2 PRO 36 2HG PRO 36 8.248 2.565 10.455 274 HG3 PRO 36 1HG PRO 36 8.537 0.913 11.020 275 HD2 PRO 36 2HD PRO 36 8.850 1.721 8.469 276 HD3 PRO 36 1HD PRO 36 8.509 0.059 8.950 277 H HIS 37 H HIS 37 5.184 2.896 7.893 278 HA HIS 37 HA HIS 37 2.507 3.130 9.040 279 HB2 HIS 37 1HB HIS 37 2.611 5.417 7.594 280 HB3 HIS 37 2HB HIS 37 3.069 5.427 9.301 281 HD1 HIS 37 HD1 HIS 37 5.434 6.307 9.650 282 HD2 HIS 37 HD2 HIS 37 4.525 5.295 5.756 283 HE1 HIS 37 HE1 HIS 37 7.420 7.087 8.318 284 HE2 HIS 37 HE2 HIS 37 6.701 6.743 5.924 285 H CYS 38 H CYS 38 4.102 3.351 5.833 286 HA CYS 38 HA CYS 38 1.948 3.280 4.361 287 HB2 CYS 38 2HB CYS 38 4.490 1.873 3.587 288 HB3 CYS 38 1HB CYS 38 3.422 2.916 2.673 289 HG CYS 38 HG CYS 38 6.067 3.749 3.715 290 H PHE 39 H PHE 39 4.020 0.525 5.485 291 HA PHE 39 HA PHE 39 2.181 -1.316 4.306 292 HB2 PHE 39 2HB PHE 39 4.905 -0.713 4.654 293 HB3 PHE 39 1HB PHE 39 4.835 -2.311 4.326 294 HD1 PHE 39 1HD PHE 39 2.634 -2.120 2.174 295 HD2 PHE 39 2HD PHE 39 5.998 0.165 3.194 296 HE1 PHE 39 1HE PHE 39 2.797 -1.320 -0.123 297 HE2 PHE 39 2HE PHE 39 6.236 0.948 1.218 298 HZ PHE 39 HZ PHE 39 4.566 0.287 -0.728 299 H SER 40 H SER 40 2.288 -3.398 5.369 300 HA SER 40 HA SER 40 2.405 -3.423 8.394 301 HB2 SER 40 1HB SER 40 0.933 -4.923 6.363 302 HB3 SER 40 2HB SER 40 0.961 -5.237 8.113 303 HG SER 40 HG SER 40 0.351 -2.698 7.797 304 H ALA 41 H ALA 41 2.071 -6.241 6.778 305 HA ALA 41 HA ALA 41 3.598 -7.707 5.716 306 HB1 ALA 41 1HB ALA 41 5.219 -6.545 7.821 307 HB2 ALA 41 2HB ALA 41 5.324 -6.224 6.104 308 HB3 ALA 41 3HB ALA 41 5.879 -7.845 6.739 309 H GLU 42 H GLU 42 3.194 -6.578 8.740 310 HA GLU 42 HA GLU 42 2.778 -8.664 10.445 311 HB2 GLU 42 1HB GLU 42 1.816 -6.201 9.766 312 HB3 GLU 42 2HB GLU 42 1.177 -6.765 11.144 313 HG2 GLU 42 1HG GLU 42 3.893 -5.751 10.407 314 HG3 GLU 42 2HG GLU 42 3.023 -5.359 11.895 315 H GLY 43 H GLY 43 1.108 -6.883 8.385 316 HA2 GLY 43 1HA GLY 43 -1.281 -8.268 8.978 317 HA3 GLY 43 2HA GLY 43 -1.346 -6.570 8.551 318 H GLU 44 H GLU 44 -2.845 -8.536 7.159 319 HA GLU 44 HA GLU 44 -2.113 -9.523 4.823 320 HB2 GLU 44 1HB GLU 44 -4.437 -9.351 5.926 321 HB3 GLU 44 2HB GLU 44 -4.507 -7.780 5.135 322 HG2 GLU 44 1HG GLU 44 -4.222 -8.800 3.026 323 HG3 GLU 44 2HG GLU 44 -4.343 -10.419 3.747 324 H ALA 45 H ALA 45 -3.153 -6.193 5.440 325 HA ALA 45 HA ALA 45 -1.372 -4.900 3.768 326 HB1 ALA 45 1HB ALA 45 -4.159 -5.302 2.723 327 HB2 ALA 45 2HB ALA 45 -2.622 -5.898 1.973 328 HB3 ALA 45 3HB ALA 45 -2.965 -4.164 2.021 329 H ARG 46 H ARG 46 -2.892 -2.695 3.176 330 HA ARG 46 HA ARG 46 -4.610 -1.816 5.227 331 HB2 ARG 46 1HB ARG 46 -2.244 -1.728 6.274 332 HB3 ARG 46 2HB ARG 46 -1.814 -0.617 4.988 333 HG2 ARG 46 1HG ARG 46 -3.696 0.851 5.833 334 HG3 ARG 46 2HG ARG 46 -3.713 -0.178 7.275 335 HD2 ARG 46 1HD ARG 46 -2.327 1.821 7.587 336 HD3 ARG 46 2HD ARG 46 -1.339 0.353 7.630 337 HE ARG 46 HE ARG 46 -0.339 0.957 5.698 338 HH11 ARG 46 1HH1 ARG 46 -2.931 3.291 6.321 339 HH12 ARG 46 2HH1 ARG 46 -2.660 4.110 4.821 340 HH21 ARG 46 1HH2 ARG 46 -0.045 2.115 3.742 341 HH22 ARG 46 2HH2 ARG 46 -1.067 3.466 3.380 342 HA PRO 47 HA PRO 47 -5.344 0.499 1.450 343 HB2 PRO 47 2HB PRO 47 -5.770 2.971 3.057 344 HB3 PRO 47 1HB PRO 47 -6.866 2.281 1.840 345 HG2 PRO 47 2HG PRO 47 -7.399 2.045 4.428 346 HG3 PRO 47 1HG PRO 47 -7.708 0.700 3.314 347 HD2 PRO 47 2HD PRO 47 -5.547 1.007 5.328 348 HD3 PRO 47 1HD PRO 47 -6.391 -0.457 4.798 349 H LEU 48 H LEU 48 -3.639 0.784 0.287 350 HA LEU 48 HA LEU 48 -1.508 2.694 0.965 351 HB2 LEU 48 1HB LEU 48 -0.571 0.594 0.906 352 HB3 LEU 48 2HB LEU 48 -1.655 -0.084 -0.257 353 HG LEU 48 HG LEU 48 -0.447 1.510 -1.798 354 HD11 LEU 48 1HD1 LEU 48 1.322 0.790 0.393 355 HD12 LEU 48 2HD1 LEU 48 1.062 2.526 -0.136 356 HD13 LEU 48 3HD1 LEU 48 1.963 1.316 -1.126 357 HD21 LEU 48 1HD2 LEU 48 -0.455 -0.906 -1.963 358 HD22 LEU 48 2HD2 LEU 48 0.904 -0.864 -0.809 359 HD23 LEU 48 3HD2 LEU 48 1.077 -0.139 -2.404 360 H LYS 49 H LYS 49 -0.529 3.433 -1.512 361 HA LYS 49 HA LYS 49 -2.844 3.808 -3.224 362 HB2 LYS 49 1HB LYS 49 -0.667 5.546 -2.589 363 HB3 LYS 49 2HB LYS 49 -0.443 5.065 -4.183 364 HG2 LYS 49 1HG LYS 49 -3.089 6.231 -3.328 365 HG3 LYS 49 2HG LYS 49 -1.832 7.044 -4.257 366 HD2 LYS 49 1HD LYS 49 -2.102 5.364 -6.057 367 HD3 LYS 49 2HD LYS 49 -3.407 4.611 -5.145 368 HE2 LYS 49 1HE LYS 49 -3.393 7.453 -6.195 369 HE3 LYS 49 2HE LYS 49 -4.217 6.097 -6.951 370 HZ1 LYS 49 1HZ LYS 49 -5.669 7.532 -5.619 371 HZ2 LYS 49 2HZ LYS 49 -4.789 7.304 -4.311 372 HZ3 LYS 49 3HZ LYS 49 -5.696 5.984 -4.943 373 H ILE 50 H ILE 50 -1.418 3.785 -5.584 374 HA ILE 50 HA ILE 50 0.556 1.647 -5.391 375 HB ILE 50 HB ILE 50 -1.670 1.817 -7.268 376 HG12 ILE 50 1HG1 ILE 50 0.045 -0.374 -6.127 377 HG13 ILE 50 2HG1 ILE 50 -1.341 0.358 -5.324 378 HG21 ILE 50 1HG2 ILE 50 1.028 0.784 -7.858 379 HG22 ILE 50 2HG2 ILE 50 0.367 2.234 -8.599 380 HG23 ILE 50 3HG2 ILE 50 -0.336 0.610 -9.017 381 HD11 ILE 50 1HD1 ILE 50 -2.749 -0.393 -6.922 382 HD12 ILE 50 2HD1 ILE 50 -1.699 -1.800 -6.417 383 HD13 ILE 50 3HD1 ILE 50 -1.429 -0.961 -7.960 384 H GLY 51 H GLY 51 -0.056 4.582 -6.751 385 HA2 GLY 51 1HA GLY 51 2.405 4.691 -8.239 386 HA3 GLY 51 2HA GLY 51 1.407 6.071 -7.804 387 H ILE 52 H ILE 52 1.723 4.879 -4.802 388 HA ILE 52 HA ILE 52 3.865 6.001 -3.671 389 HB ILE 52 HB ILE 52 2.371 4.795 -2.267 390 HG12 ILE 52 1HG1 ILE 52 4.950 3.557 -2.826 391 HG13 ILE 52 2HG1 ILE 52 4.564 4.716 -1.657 392 HG21 ILE 52 1HG2 ILE 52 1.357 3.222 -3.886 393 HG22 ILE 52 2HG2 ILE 52 2.172 2.356 -2.533 394 HG23 ILE 52 3HG2 ILE 52 2.964 2.477 -4.093 395 HD11 ILE 52 1HD1 ILE 52 3.449 2.930 -0.383 396 HD12 ILE 52 2HD1 ILE 52 4.920 2.201 -1.253 397 HD13 ILE 52 3HD1 ILE 52 3.414 2.014 -1.897 398 H PHE 53 H PHE 53 3.751 2.983 -5.570 399 HA PHE 53 HA PHE 53 5.842 1.670 -4.801 400 HB2 PHE 53 2HB PHE 53 4.570 0.879 -6.345 401 HB3 PHE 53 1HB PHE 53 4.596 2.263 -7.395 402 HD1 PHE 53 1HD PHE 53 6.445 -0.129 -5.884 403 HD2 PHE 53 2HD PHE 53 6.344 2.323 -9.160 404 HE1 PHE 53 1HE PHE 53 8.103 -1.430 -6.791 405 HE2 PHE 53 2HE PHE 53 8.364 1.096 -10.140 406 HZ PHE 53 HZ PHE 53 9.182 -0.908 -8.829 407 H GLN 54 H GLN 54 5.793 4.169 -7.057 408 HA GLN 54 HA GLN 54 8.434 4.658 -7.915 409 HB2 GLN 54 1HB GLN 54 6.225 5.411 -8.700 410 HB3 GLN 54 2HB GLN 54 6.085 5.770 -7.134 411 HG2 GLN 54 1HG GLN 54 7.980 7.274 -7.605 412 HG3 GLN 54 2HG GLN 54 6.793 8.024 -8.863 413 HE21 GLN 54 1HE2 GLN 54 7.016 7.481 -5.160 414 HE22 GLN 54 2HE2 GLN 54 5.642 6.639 -5.732 415 H ASP 55 H ASP 55 7.166 5.102 -5.106 416 HA ASP 55 HA ASP 55 8.910 7.217 -4.370 417 HB2 ASP 55 1HB ASP 55 6.201 6.638 -3.490 418 HB3 ASP 55 2HB ASP 55 7.201 6.041 -2.534 419 H LEU 56 H LEU 56 7.717 4.336 -3.482 420 HA LEU 56 HA LEU 56 9.201 3.294 -1.433 421 HB2 LEU 56 1HB LEU 56 7.920 2.550 -3.977 422 HB3 LEU 56 2HB LEU 56 7.845 3.003 -2.352 423 HG LEU 56 HG LEU 56 8.425 0.373 -2.512 424 HD11 LEU 56 1HD1 LEU 56 8.281 2.061 -0.508 425 HD12 LEU 56 2HD1 LEU 56 7.085 0.711 -0.596 426 HD13 LEU 56 3HD1 LEU 56 6.698 2.307 -1.300 427 HD21 LEU 56 1HD2 LEU 56 6.745 0.514 -3.841 428 HD22 LEU 56 2HD2 LEU 56 6.375 2.116 -3.002 429 HD23 LEU 56 3HD2 LEU 56 6.004 0.623 -2.179 430 H VAL 57 H VAL 57 9.463 3.269 -4.687 431 HA VAL 57 HA VAL 57 11.806 1.983 -4.710 432 HB VAL 57 HB VAL 57 12.117 2.439 -7.047 433 HG11 VAL 57 1HG1 VAL 57 9.296 2.343 -6.794 434 HG12 VAL 57 2HG1 VAL 57 10.064 1.530 -5.506 435 HG13 VAL 57 3HG1 VAL 57 10.440 0.948 -7.209 436 HG21 VAL 57 1HG2 VAL 57 11.635 4.703 -7.014 437 HG22 VAL 57 2HG2 VAL 57 9.962 4.461 -6.539 438 HG23 VAL 57 3HG2 VAL 57 10.528 3.836 -8.138 439 H ASP 58 H ASP 58 11.363 5.394 -4.587 440 HA ASP 58 HA ASP 58 13.749 6.466 -4.891 441 HB2 ASP 58 1HB ASP 58 11.742 7.298 -3.363 442 HB3 ASP 58 2HB ASP 58 12.536 6.362 -2.318 443 H ARG 59 H ARG 59 12.558 4.608 -2.325 444 HA ARG 59 HA ARG 59 14.616 4.832 -0.446 445 HB2 ARG 59 1HB ARG 59 11.922 4.539 -0.738 446 HB3 ARG 59 2HB ARG 59 12.505 3.737 0.769 447 HG2 ARG 59 1HG ARG 59 12.702 5.862 1.688 448 HG3 ARG 59 2HG ARG 59 13.200 6.575 0.143 449 HD2 ARG 59 1HD ARG 59 11.081 6.632 -0.672 450 HD3 ARG 59 2HD ARG 59 10.408 5.533 0.496 451 HE ARG 59 HE ARG 59 10.922 7.518 2.100 452 HH11 ARG 59 1HH1 ARG 59 10.344 8.027 -1.313 453 HH12 ARG 59 2HH1 ARG 59 9.223 9.257 -1.161 454 HH21 ARG 59 1HH2 ARG 59 9.410 9.583 2.406 455 HH22 ARG 59 2HH2 ARG 59 8.791 10.173 0.980 456 H VAL 60 H VAL 60 12.262 2.459 -1.781 457 HA VAL 60 HA VAL 60 12.969 0.640 -0.100 458 HB VAL 60 HB VAL 60 11.682 -0.768 -1.624 459 HG11 VAL 60 1HG1 VAL 60 10.004 1.009 -1.803 460 HG12 VAL 60 2HG1 VAL 60 11.111 1.931 -0.699 461 HG13 VAL 60 3HG1 VAL 60 10.399 0.287 -0.197 462 HG21 VAL 60 1HG2 VAL 60 11.786 -0.223 -3.698 463 HG22 VAL 60 2HG2 VAL 60 12.250 1.371 -3.157 464 HG23 VAL 60 3HG2 VAL 60 10.534 1.006 -3.237 465 H ALA 61 H ALA 61 13.876 1.059 -3.317 466 HA ALA 61 HA ALA 61 13.701 -1.458 -3.983 467 HB1 ALA 61 1HB ALA 61 13.493 0.396 -5.318 468 HB2 ALA 61 2HB ALA 61 14.246 -1.035 -6.026 469 HB3 ALA 61 3HB ALA 61 15.251 0.399 -5.611 470 H GLY 62 H GLY 62 16.561 -0.456 -4.627 471 HA2 GLY 62 1HA GLY 62 17.242 -3.245 -4.322 472 HA3 GLY 62 2HA GLY 62 18.135 -2.302 -5.448 473 H GLU 63 H GLU 63 17.257 -1.580 -2.414 474 HA GLU 63 HA GLU 63 19.511 -1.084 -0.987 475 HB2 GLU 63 1HB GLU 63 16.833 -1.948 -0.727 476 HB3 GLU 63 2HB GLU 63 17.602 -1.824 0.772 477 HG2 GLU 63 1HG GLU 63 17.818 0.359 -1.260 478 HG3 GLU 63 2HG GLU 63 16.223 0.109 -0.615 479 H MET 64 H MET 64 17.324 -3.840 -1.222 480 HA MET 64 HA MET 64 19.381 -5.681 -0.341 481 HB2 MET 64 1HB MET 64 16.672 -6.530 0.200 482 HB3 MET 64 2HB MET 64 18.152 -6.918 0.957 483 HG2 MET 64 1HG MET 64 16.806 -5.848 2.523 484 HG3 MET 64 2HG MET 64 18.153 -4.761 2.136 485 HE1 MET 64 1HE MET 64 14.012 -4.264 0.227 486 HE2 MET 64 2HE MET 64 14.233 -5.474 1.390 487 HE3 MET 64 3HE MET 64 15.141 -5.581 -0.167 488 H ASN 65 H ASN 65 16.339 -5.856 -1.559 489 HA ASN 65 HA ASN 65 17.333 -7.679 -3.462 490 HB2 ASN 65 1HB ASN 65 14.918 -7.877 -1.897 491 HB3 ASN 65 2HB ASN 65 15.597 -9.145 -2.870 492 HD21 ASN 65 1HD2 ASN 65 17.787 -9.623 -0.280 493 HD22 ASN 65 2HD2 ASN 65 17.780 -9.644 -1.958 494 H LEU 66 H LEU 66 16.366 -5.020 -4.339 495 HA LEU 66 HA LEU 66 13.904 -5.789 -5.925 496 HB2 LEU 66 1HB LEU 66 14.636 -4.038 -4.055 497 HB3 LEU 66 2HB LEU 66 13.721 -3.063 -5.088 498 HG LEU 66 HG LEU 66 13.443 -4.729 -2.769 499 HD11 LEU 66 1HD1 LEU 66 11.859 -2.670 -4.115 500 HD12 LEU 66 2HD1 LEU 66 12.903 -2.552 -2.717 501 HD13 LEU 66 3HD1 LEU 66 11.336 -3.441 -2.595 502 HD21 LEU 66 1HD2 LEU 66 11.341 -5.813 -3.209 503 HD22 LEU 66 2HD2 LEU 66 12.808 -6.152 -4.221 504 HD23 LEU 66 3HD2 LEU 66 11.467 -5.239 -4.946 505 H SER 67 H SER 67 13.938 -5.425 -7.702 506 HA SER 67 HA SER 67 15.715 -3.516 -9.023 507 HB2 SER 67 1HB SER 67 15.969 -5.834 -9.578 508 HB3 SER 67 2HB SER 67 14.223 -5.982 -9.764 509 HG SER 67 HG SER 67 14.441 -4.579 -11.621 510 H LYS 68 H LYS 68 13.382 -2.582 -7.638 511 HA LYS 68 HA LYS 68 11.316 -1.565 -7.650 512 HB2 LYS 68 1HB LYS 68 11.246 -0.932 -10.384 513 HB3 LYS 68 2HB LYS 68 11.014 0.163 -9.071 514 HG2 LYS 68 1HG LYS 68 13.585 -0.605 -10.429 515 HG3 LYS 68 2HG LYS 68 12.851 1.005 -10.307 516 HD2 LYS 68 1HD LYS 68 13.306 1.113 -7.980 517 HD3 LYS 68 2HD LYS 68 13.259 -0.611 -8.120 518 HE2 LYS 68 1HE LYS 68 15.653 0.388 -7.724 519 HE3 LYS 68 2HE LYS 68 15.492 -0.685 -9.114 520 HZ1 LYS 68 1HZ LYS 68 15.412 2.289 -9.218 521 HZ2 LYS 68 2HZ LYS 68 15.281 1.255 -10.547 522 HZ3 LYS 68 3HZ LYS 68 16.724 1.327 -9.677 523 H THR 69 H THR 69 11.391 -3.536 -10.669 524 HA THR 69 HA THR 69 8.603 -3.296 -10.696 525 HB THR 69 HB THR 69 8.716 -4.624 -12.362 526 HG1 THR 69 1HG THR 69 10.780 -5.763 -12.972 527 HG21 THR 69 1HG2 THR 69 10.357 -3.394 -13.881 528 HG22 THR 69 2HG2 THR 69 11.012 -2.810 -12.332 529 HG23 THR 69 3HG2 THR 69 9.358 -2.379 -12.795 530 H GLN 70 H GLN 70 10.847 -5.314 -9.424 531 HA GLN 70 HA GLN 70 8.985 -7.472 -8.779 532 HB2 GLN 70 1HB GLN 70 10.888 -8.455 -7.584 533 HB3 GLN 70 2HB GLN 70 11.405 -7.964 -9.174 534 HG2 GLN 70 1HG GLN 70 12.478 -6.137 -8.408 535 HG3 GLN 70 2HG GLN 70 11.510 -6.345 -6.922 536 HE21 GLN 70 1HE2 GLN 70 13.322 -8.443 -5.400 537 HE22 GLN 70 2HE2 GLN 70 11.775 -7.710 -5.596 538 H LEU 71 H LEU 71 9.383 -4.512 -7.678 539 HA LEU 71 HA LEU 71 8.266 -4.990 -4.994 540 HB2 LEU 71 1HB LEU 71 10.372 -3.637 -5.554 541 HB3 LEU 71 2HB LEU 71 9.467 -2.551 -6.375 542 HG LEU 71 HG LEU 71 10.088 -2.660 -3.713 543 HD11 LEU 71 1HD1 LEU 71 10.309 -0.784 -5.165 544 HD12 LEU 71 2HD1 LEU 71 9.540 -0.451 -3.674 545 HD13 LEU 71 3HD1 LEU 71 8.536 -0.630 -5.167 546 HD21 LEU 71 1HD2 LEU 71 7.847 -1.843 -2.966 547 HD22 LEU 71 2HD2 LEU 71 8.272 -3.574 -3.013 548 HD23 LEU 71 3HD2 LEU 71 7.274 -2.883 -4.294 549 H ARG 72 H ARG 72 7.784 -3.481 -8.169 550 HA ARG 72 HA ARG 72 5.494 -2.188 -7.276 551 HB2 ARG 72 1HB ARG 72 5.054 -1.581 -9.691 552 HB3 ARG 72 2HB ARG 72 6.771 -1.510 -9.277 553 HG2 ARG 72 1HG ARG 72 6.860 -2.451 -11.250 554 HG3 ARG 72 2HG ARG 72 6.911 -3.715 -9.960 555 HD2 ARG 72 1HD ARG 72 5.388 -4.589 -11.694 556 HD3 ARG 72 2HD ARG 72 4.492 -3.926 -10.293 557 HE ARG 72 HE ARG 72 4.729 -2.684 -12.933 558 HH11 ARG 72 1HH1 ARG 72 3.103 -2.739 -9.741 559 HH12 ARG 72 2HH1 ARG 72 1.913 -1.621 -10.164 560 HH21 ARG 72 1HH2 ARG 72 3.023 -1.151 -13.520 561 HH22 ARG 72 2HH2 ARG 72 1.852 -0.700 -12.385 562 H SER 73 H SER 73 6.128 -5.401 -8.020 563 HA SER 73 HA SER 73 3.658 -6.328 -8.809 564 HB2 SER 73 1HB SER 73 5.129 -8.273 -8.604 565 HB3 SER 73 2HB SER 73 5.762 -6.781 -9.492 566 HG SER 73 HG SER 73 6.969 -8.041 -7.577 567 H ALA 74 H ALA 74 5.444 -5.754 -6.204 568 HA ALA 74 HA ALA 74 4.028 -7.415 -4.197 569 HB1 ALA 74 1HB ALA 74 6.340 -6.739 -3.846 570 HB2 ALA 74 2HB ALA 74 5.336 -6.088 -2.558 571 HB3 ALA 74 3HB ALA 74 5.886 -5.055 -3.884 572 H LEU 75 H LEU 75 3.851 -4.671 -5.734 573 HA LEU 75 HA LEU 75 2.017 -3.363 -4.007 574 HB2 LEU 75 1HB LEU 75 4.112 -3.282 -5.007 575 HB3 LEU 75 2HB LEU 75 3.876 -2.287 -6.180 576 HG LEU 75 HG LEU 75 3.676 -2.117 -3.152 577 HD11 LEU 75 1HD1 LEU 75 5.748 -1.972 -4.744 578 HD12 LEU 75 2HD1 LEU 75 5.466 -0.964 -3.293 579 HD13 LEU 75 3HD1 LEU 75 5.051 -0.320 -4.875 580 HD21 LEU 75 1HD2 LEU 75 3.098 -0.034 -2.990 581 HD22 LEU 75 2HD2 LEU 75 2.000 -0.461 -4.327 582 HD23 LEU 75 3HD2 LEU 75 3.617 0.370 -4.610 583 H ARG 76 H ARG 76 1.518 -5.502 -5.516 584 HA ARG 76 HA ARG 76 -0.734 -5.046 -7.347 585 HB2 ARG 76 1HB ARG 76 1.757 -6.365 -8.046 586 HB3 ARG 76 2HB ARG 76 0.402 -7.479 -8.163 587 HG2 ARG 76 1HG ARG 76 1.045 -6.288 -10.254 588 HG3 ARG 76 2HG ARG 76 -0.650 -6.089 -9.771 589 HD2 ARG 76 1HD ARG 76 1.192 -4.488 -8.548 590 HD3 ARG 76 2HD ARG 76 1.042 -3.977 -10.298 591 HE ARG 76 HE ARG 76 -0.522 -3.272 -8.091 592 HH11 ARG 76 1HH1 ARG 76 -1.263 -4.604 -11.322 593 HH12 ARG 76 2HH1 ARG 76 -2.903 -4.160 -11.314 594 HH21 ARG 76 1HH2 ARG 76 -2.820 -2.681 -8.081 595 HH22 ARG 76 2HH2 ARG 76 -3.825 -3.016 -9.406 596 H LEU 77 H LEU 77 1.289 -7.158 -5.586 597 HA LEU 77 HA LEU 77 -0.316 -9.395 -5.239 598 HB2 LEU 77 1HB LEU 77 2.234 -9.045 -4.682 599 HB3 LEU 77 2HB LEU 77 1.745 -8.262 -3.432 600 HG LEU 77 HG LEU 77 0.292 -10.500 -2.995 601 HD11 LEU 77 1HD1 LEU 77 1.986 -11.597 -4.509 602 HD12 LEU 77 2HD1 LEU 77 2.339 -11.940 -2.750 603 HD13 LEU 77 3HD1 LEU 77 3.115 -10.566 -3.607 604 HD21 LEU 77 1HD2 LEU 77 1.101 -8.910 -1.506 605 HD22 LEU 77 2HD2 LEU 77 2.696 -9.221 -2.222 606 HD23 LEU 77 3HD2 LEU 77 1.966 -10.459 -1.133 607 H TYR 78 H TYR 78 0.650 -7.044 -2.911 608 HA TYR 78 HA TYR 78 -1.375 -8.097 -1.341 609 HB2 TYR 78 2HB TYR 78 -0.413 -7.316 0.589 610 HB3 TYR 78 1HB TYR 78 0.989 -7.253 -0.404 611 HD1 TYR 78 1HD TYR 78 -0.167 -5.886 2.099 612 HD2 TYR 78 2HD TYR 78 0.627 -4.829 -1.867 613 HE1 TYR 78 1HE TYR 78 0.077 -3.634 2.802 614 HE2 TYR 78 2HE TYR 78 0.814 -2.570 -1.320 615 HH TYR 78 HH TYR 78 0.684 -1.685 2.218 616 H THR 79 H THR 79 -0.986 -5.748 -3.482 617 HA THR 79 HA THR 79 -3.033 -3.884 -2.473 618 HB THR 79 HB THR 79 -2.702 -2.512 -4.345 619 HG1 THR 79 1HG THR 79 -2.540 -4.592 -5.756 620 HG21 THR 79 1HG2 THR 79 -0.207 -3.893 -3.601 621 HG22 THR 79 2HG2 THR 79 -1.039 -2.637 -2.692 622 HG23 THR 79 3HG2 THR 79 -0.282 -2.234 -4.259 623 H SER 80 H SER 80 -3.084 -6.772 -4.162 624 HA SER 80 HA SER 80 -5.771 -6.277 -5.132 625 HB2 SER 80 1HB SER 80 -4.045 -8.776 -5.316 626 HB3 SER 80 2HB SER 80 -5.631 -8.574 -6.063 627 HG SER 80 HG SER 80 -3.194 -7.342 -6.649 628 H SER 81 H SER 81 -4.366 -6.707 -2.300 629 HA SER 81 HA SER 81 -6.121 -8.658 -1.185 630 HB2 SER 81 1HB SER 81 -4.297 -8.527 0.109 631 HB3 SER 81 2HB SER 81 -4.073 -6.758 -0.175 632 HG SER 81 HG SER 81 -5.699 -8.163 1.695 633 H TRP 82 H TRP 82 -7.545 -8.060 0.290 634 HA TRP 82 HA TRP 82 -9.344 -5.776 -0.563 635 HB2 TRP 82 2HB TRP 82 -10.067 -8.336 0.530 636 HB3 TRP 82 1HB TRP 82 -10.103 -7.203 1.820 637 HD1 TRP 82 1HD TRP 82 -10.820 -6.014 -1.522 638 HE1 TRP 82 1HE TRP 82 -13.246 -5.456 -1.672 639 HE3 TRP 82 3HE TRP 82 -12.274 -8.169 2.739 640 HZ2 TRP 82 2HZ TRP 82 -15.483 -5.812 -0.199 641 HZ3 TRP 82 3HZ TRP 82 -14.600 -8.092 3.304 642 HH2 TRP 82 2HH TRP 82 -16.233 -6.892 1.749 643 H ARG 83 H ARG 83 -7.616 -6.802 1.972 644 HA ARG 83 HA ARG 83 -8.290 -4.793 3.828 645 HB2 ARG 83 1HB ARG 83 -7.458 -6.556 4.260 646 HB3 ARG 83 2HB ARG 83 -5.845 -6.496 3.470 647 HG2 ARG 83 1HG ARG 83 -5.197 -5.954 5.652 648 HG3 ARG 83 2HG ARG 83 -5.955 -4.394 5.285 649 HD2 ARG 83 1HD ARG 83 -6.914 -5.324 7.331 650 HD3 ARG 83 2HD ARG 83 -7.995 -5.204 5.902 651 HE ARG 83 HE ARG 83 -7.131 -7.738 5.664 652 HH11 ARG 83 1HH1 ARG 83 -8.616 -6.251 8.575 653 HH12 ARG 83 2HH1 ARG 83 -9.212 -7.777 9.072 654 HH21 ARG 83 1HH2 ARG 83 -7.942 -9.606 6.372 655 HH22 ARG 83 2HH2 ARG 83 -8.872 -9.691 7.832 656 H TYR 84 H TYR 84 -6.315 -4.824 1.182 657 HA TYR 84 HA TYR 84 -4.910 -2.417 1.515 658 HB2 TYR 84 2HB TYR 84 -4.368 -4.131 -0.166 659 HB3 TYR 84 1HB TYR 84 -5.952 -3.968 -0.800 660 HD1 TYR 84 1HD TYR 84 -6.574 -2.564 -2.306 661 HD2 TYR 84 2HD TYR 84 -2.705 -1.969 -0.564 662 HE1 TYR 84 1HE TYR 84 -6.019 -0.914 -4.049 663 HE2 TYR 84 2HE TYR 84 -2.186 -0.376 -2.205 664 HH TYR 84 HH TYR 84 -2.775 0.292 -4.364 665 H LEU 85 H LEU 85 -7.697 -3.168 -0.443 666 HA LEU 85 HA LEU 85 -8.417 -0.473 -0.351 667 HB2 LEU 85 1HB LEU 85 -10.337 -0.929 -1.542 668 HB3 LEU 85 2HB LEU 85 -8.676 -1.041 -2.309 669 HG LEU 85 HG LEU 85 -10.428 -2.593 -3.343 670 HD11 LEU 85 1HD1 LEU 85 -8.186 -3.445 -3.088 671 HD12 LEU 85 2HD1 LEU 85 -9.439 -4.719 -2.884 672 HD13 LEU 85 3HD1 LEU 85 -8.673 -3.964 -1.470 673 HD21 LEU 85 1HD2 LEU 85 -11.886 -2.562 -1.351 674 HD22 LEU 85 2HD2 LEU 85 -10.708 -3.646 -0.584 675 HD23 LEU 85 3HD2 LEU 85 -11.579 -4.173 -2.022 676 H TYR 86 H TYR 86 -8.765 -1.569 2.015 677 HA TYR 86 HA TYR 86 -11.446 -1.588 2.618 678 HB2 TYR 86 2HB TYR 86 -8.976 -1.501 3.673 679 HB3 TYR 86 1HB TYR 86 -10.054 -0.846 4.866 680 HD1 TYR 86 1HD TYR 86 -10.405 -2.762 6.512 681 HD2 TYR 86 2HD TYR 86 -10.117 -3.572 2.356 682 HE1 TYR 86 1HE TYR 86 -11.048 -5.106 6.886 683 HE2 TYR 86 2HE TYR 86 -10.721 -5.578 2.572 684 HH TYR 86 HH TYR 86 -10.708 -7.493 4.503 685 H GLY 87 H GLY 87 -9.392 0.535 1.449 686 HA2 GLY 87 1HA GLY 87 -10.948 2.890 1.905 687 HA3 GLY 87 2HA GLY 87 -9.288 3.048 2.389 688 H VAL 88 H VAL 88 -8.014 1.568 0.376 689 HA VAL 88 HA VAL 88 -7.329 3.590 -1.005 690 HB VAL 88 HB VAL 88 -7.355 0.987 -2.305 691 HG11 VAL 88 1HG1 VAL 88 -6.477 2.903 -3.650 692 HG12 VAL 88 2HG1 VAL 88 -5.202 1.742 -3.295 693 HG13 VAL 88 3HG1 VAL 88 -5.279 3.238 -2.380 694 HG21 VAL 88 1HG2 VAL 88 -5.675 1.929 -0.059 695 HG22 VAL 88 2HG2 VAL 88 -5.142 0.669 -1.183 696 HG23 VAL 88 3HG2 VAL 88 -6.609 0.426 -0.250 697 H LYS 89 H LYS 89 -8.698 4.747 -2.242 698 HA LYS 89 HA LYS 89 -8.804 3.821 -4.870 699 HB2 LYS 89 1HB LYS 89 -11.222 3.377 -3.998 700 HB3 LYS 89 2HB LYS 89 -11.438 5.100 -3.883 701 HG2 LYS 89 1HG LYS 89 -12.399 4.299 -5.913 702 HG3 LYS 89 2HG LYS 89 -11.029 5.345 -6.265 703 HD2 LYS 89 1HD LYS 89 -10.900 3.502 -7.772 704 HD3 LYS 89 2HD LYS 89 -9.632 3.257 -6.592 705 HE2 LYS 89 1HE LYS 89 -12.330 1.863 -6.590 706 HE3 LYS 89 2HE LYS 89 -10.845 1.174 -7.217 707 HZ1 LYS 89 1HZ LYS 89 -11.542 1.741 -4.373 708 HZ2 LYS 89 2HZ LYS 89 -9.981 1.456 -4.807 709 HZ3 LYS 89 3HZ LYS 89 -11.146 0.268 -5.058 710 HA PRO 90 HA PRO 90 -7.953 8.423 -4.264 711 HB2 PRO 90 2HB PRO 90 -8.960 9.261 -1.819 712 HB3 PRO 90 1HB PRO 90 -9.608 9.820 -3.401 713 HG2 PRO 90 2HG PRO 90 -11.128 8.459 -1.643 714 HG3 PRO 90 1HG PRO 90 -11.257 8.157 -3.392 715 HD2 PRO 90 2HD PRO 90 -9.614 6.697 -1.385 716 HD3 PRO 90 1HD PRO 90 -10.795 6.005 -2.503 717 H GLY 91 H GLY 91 -7.424 9.817 -1.709 718 HA2 GLY 91 1HA GLY 91 -5.267 8.573 -1.356 719 HA3 GLY 91 2HA GLY 91 -5.314 10.126 -0.618 720 H ALA 92 H ALA 92 -7.050 7.704 -0.498 721 HA ALA 92 HA ALA 92 -7.543 6.797 2.177 722 HB1 ALA 92 1HB ALA 92 -8.991 6.018 0.717 723 HB2 ALA 92 2HB ALA 92 -7.936 4.541 0.831 724 HB3 ALA 92 3HB ALA 92 -7.747 5.784 -0.461 725 H THR 93 H THR 93 -5.228 6.024 0.010 726 HA THR 93 HA THR 93 -3.599 4.134 0.997 727 HB THR 93 HB THR 93 -2.766 5.200 -0.876 728 HG1 THR 93 1HG THR 93 -0.834 6.023 -0.383 729 HG21 THR 93 1HG2 THR 93 -3.426 7.758 0.438 730 HG22 THR 93 2HG2 THR 93 -4.132 6.987 -0.968 731 HG23 THR 93 3HG2 THR 93 -2.467 7.634 -1.023 732 H ARG 94 H ARG 94 -3.974 7.428 2.025 733 HA ARG 94 HA ARG 94 -3.154 8.721 3.519 734 HB2 ARG 94 1HB ARG 94 -3.126 6.171 5.001 735 HB3 ARG 94 2HB ARG 94 -2.238 7.625 5.550 736 HG2 ARG 94 1HG ARG 94 -4.376 7.580 6.700 737 HG3 ARG 94 2HG ARG 94 -4.466 8.829 5.470 738 HD2 ARG 94 1HD ARG 94 -5.804 7.225 4.007 739 HD3 ARG 94 2HD ARG 94 -5.589 6.042 5.280 740 HE ARG 94 HE ARG 94 -6.667 8.246 6.505 741 HH11 ARG 94 1HH1 ARG 94 -7.635 5.876 4.103 742 HH12 ARG 94 2HH1 ARG 94 -9.319 6.033 4.393 743 HH21 ARG 94 1HH2 ARG 94 -8.879 8.450 7.003 744 HH22 ARG 94 2HH2 ARG 94 -10.062 7.599 6.128 745 H VAL 95 H VAL 95 -1.161 6.702 1.802 746 HA VAL 95 HA VAL 95 1.033 8.217 2.670 747 HB VAL 95 HB VAL 95 2.333 6.749 3.648 748 HG11 VAL 95 1HG1 VAL 95 1.209 4.901 4.751 749 HG12 VAL 95 2HG1 VAL 95 -0.168 5.279 3.584 750 HG13 VAL 95 3HG1 VAL 95 0.381 6.495 4.778 751 HG21 VAL 95 1HG2 VAL 95 1.320 4.676 1.806 752 HG22 VAL 95 2HG2 VAL 95 2.666 4.577 3.039 753 HG23 VAL 95 3HG2 VAL 95 2.779 5.704 1.670 754 H ASP 96 H ASP 96 1.950 8.850 1.278 755 HA ASP 96 HA ASP 96 3.404 7.160 -0.600 756 HB2 ASP 96 1HB ASP 96 4.510 9.381 -1.356 757 HB3 ASP 96 2HB ASP 96 2.833 9.278 -1.843 758 H LEU 97 H LEU 97 5.141 6.558 0.302 759 HA LEU 97 HA LEU 97 4.917 5.793 2.666 760 HB2 LEU 97 1HB LEU 97 7.557 5.621 1.389 761 HB3 LEU 97 2HB LEU 97 6.660 4.702 2.468 762 HG LEU 97 HG LEU 97 4.931 4.928 0.389 763 HD11 LEU 97 1HD1 LEU 97 7.078 5.737 -0.754 764 HD12 LEU 97 2HD1 LEU 97 6.371 4.246 -1.421 765 HD13 LEU 97 3HD1 LEU 97 7.733 4.160 -0.313 766 HD21 LEU 97 1HD2 LEU 97 7.011 3.352 1.146 767 HD22 LEU 97 2HD2 LEU 97 5.491 2.842 0.190 768 HD23 LEU 97 3HD2 LEU 97 5.388 3.255 1.958 769 H ASP 98 H ASP 98 5.376 8.802 2.787 770 HA ASP 98 HA ASP 98 7.089 8.888 5.064 771 HB2 ASP 98 1HB ASP 98 6.160 10.721 3.045 772 HB3 ASP 98 2HB ASP 98 5.606 11.172 4.655 773 H GLY 99 H GLY 99 3.891 9.268 3.769 774 HA2 GLY 99 1HA GLY 99 2.248 8.151 4.982 775 HA3 GLY 99 2HA GLY 99 2.639 8.867 6.423 776 H ASN 100 H ASN 100 2.248 10.272 3.108 777 HA ASN 100 HA ASN 100 0.147 12.251 3.676 778 HB2 ASN 100 1HB ASN 100 2.324 11.512 1.865 779 HB3 ASN 100 2HB ASN 100 1.281 12.637 1.233 780 HD21 ASN 100 1HD2 ASN 100 4.251 13.951 2.335 781 HD22 ASN 100 2HD2 ASN 100 3.763 12.649 1.317 782 HA PRO 101 HA PRO 101 -2.410 9.120 1.806 783 HB2 PRO 101 2HB PRO 101 -4.054 11.370 0.790 784 HB3 PRO 101 1HB PRO 101 -4.359 10.144 1.973 785 HG2 PRO 101 2HG PRO 101 -3.901 12.638 2.828 786 HG3 PRO 101 1HG PRO 101 -3.023 11.305 3.667 787 HD2 PRO 101 2HD PRO 101 -2.318 12.589 1.242 788 HD3 PRO 101 1HD PRO 101 -1.326 13.056 2.493 789 H CYS 102 H CYS 102 -0.517 9.051 0.290 790 HA CYS 102 HA CYS 102 0.697 9.530 -1.516 791 HB2 CYS 102 2HB CYS 102 -0.206 7.852 -2.572 792 HB3 CYS 102 1HB CYS 102 -1.850 8.233 -2.661 793 HG CYS 102 HG CYS 102 -0.244 10.334 -4.522 794 H GLY 103 H GLY 103 -0.979 11.414 -0.305 795 HA2 GLY 103 1HA GLY 103 -1.004 13.758 0.023 796 HA3 GLY 103 2HA GLY 103 0.056 13.849 -1.357 797 H GLU 104 H GLU 104 -2.433 12.144 -1.741 798 HA GLU 104 HA GLU 104 -3.682 13.734 -3.751 799 HB2 GLU 104 1HB GLU 104 -3.682 11.605 -4.607 800 HB3 GLU 104 2HB GLU 104 -3.223 11.073 -2.987 801 HG2 GLU 104 1HG GLU 104 -5.213 10.678 -2.282 802 HG3 GLU 104 2HG GLU 104 -6.051 11.435 -3.691 803 H LEU 105 H LEU 105 -4.589 12.372 -0.484 804 HA LEU 105 HA LEU 105 -6.856 14.211 -0.572 805 HB2 LEU 105 1HB LEU 105 -7.319 11.639 -1.274 806 HB3 LEU 105 2HB LEU 105 -7.112 11.456 0.345 807 HG LEU 105 HG LEU 105 -9.018 13.627 -0.296 808 HD11 LEU 105 1HD1 LEU 105 -9.187 10.878 -1.012 809 HD12 LEU 105 2HD1 LEU 105 -10.171 12.238 -1.674 810 HD13 LEU 105 3HD1 LEU 105 -10.577 11.434 -0.075 811 HD21 LEU 105 1HD2 LEU 105 -8.032 12.246 1.677 812 HD22 LEU 105 2HD2 LEU 105 -9.756 11.637 1.568 813 HD23 LEU 105 3HD2 LEU 105 -9.329 13.362 1.690 814 H ASP 106 H ASP 106 -7.804 14.437 1.393 815 HA ASP 106 HA ASP 106 -6.378 14.897 3.875 816 HB2 ASP 106 1HB ASP 106 -8.224 16.401 3.088 817 HB3 ASP 106 2HB ASP 106 -9.088 15.040 2.525 818 H GLU 107 H GLU 107 -8.513 13.738 5.322 819 HA GLU 107 HA GLU 107 -8.602 10.897 4.486 820 HB2 GLU 107 1HB GLU 107 -7.910 10.156 6.520 821 HB3 GLU 107 2HB GLU 107 -7.242 11.815 6.532 822 HG2 GLU 107 1HG GLU 107 -8.648 12.553 8.075 823 HG3 GLU 107 2HG GLU 107 -9.898 11.898 7.222 824 H GLN 108 H GLN 108 -10.382 13.480 5.103 825 HA GLN 108 HA GLN 108 -12.784 11.978 5.876 826 HB2 GLN 108 1HB GLN 108 -11.949 14.196 6.973 827 HB3 GLN 108 2HB GLN 108 -12.496 14.844 5.419 828 HG2 GLN 108 1HG GLN 108 -14.680 14.119 5.746 829 HG3 GLN 108 2HG GLN 108 -14.128 13.069 7.064 830 HE21 GLN 108 1HE2 GLN 108 -13.626 16.313 8.998 831 HE22 GLN 108 2HE2 GLN 108 -12.520 15.179 8.306 832 H HIS 109 H HIS 109 -10.989 12.421 3.365 833 HA HIS 109 HA HIS 109 -13.479 12.040 2.058 834 HB2 HIS 109 1HB HIS 109 -10.987 12.910 1.182 835 HB3 HIS 109 2HB HIS 109 -12.333 12.928 -0.030 836 HD1 HIS 109 HD1 HIS 109 -14.274 14.482 2.224 837 HD2 HIS 109 HD2 HIS 109 -10.516 15.749 0.974 838 HE1 HIS 109 HE1 HIS 109 -14.162 16.904 2.794 839 HE2 HIS 109 HE2 HIS 109 -11.726 17.362 2.558 840 H VAL 110 H VAL 110 -10.624 10.878 2.793 841 HA VAL 110 HA VAL 110 -11.207 8.882 1.044 842 HB VAL 110 HB VAL 110 -9.156 7.617 2.005 843 HG11 VAL 110 1HG1 VAL 110 -9.262 10.246 0.746 844 HG12 VAL 110 2HG1 VAL 110 -9.615 8.724 -0.084 845 HG13 VAL 110 3HG1 VAL 110 -7.937 9.128 0.358 846 HG21 VAL 110 1HG2 VAL 110 -8.818 10.434 2.733 847 HG22 VAL 110 2HG2 VAL 110 -7.527 9.206 2.831 848 HG23 VAL 110 3HG2 VAL 110 -8.955 9.118 3.917 849 H GLU 111 H GLU 111 -12.033 9.832 3.419 850 HA GLU 111 HA GLU 111 -12.847 7.960 5.360 851 HB2 GLU 111 1HB GLU 111 -12.845 10.312 5.474 852 HB3 GLU 111 2HB GLU 111 -13.891 10.722 4.493 853 HG2 GLU 111 1HG GLU 111 -14.777 8.598 6.146 854 HG3 GLU 111 2HG GLU 111 -14.743 10.201 6.979 855 H HIS 112 H HIS 112 -14.070 9.031 2.306 856 HA HIS 112 HA HIS 112 -16.212 7.147 2.381 857 HB2 HIS 112 1HB HIS 112 -15.021 8.882 0.486 858 HB3 HIS 112 2HB HIS 112 -16.592 8.118 0.062 859 HD1 HIS 112 HD1 HIS 112 -18.708 9.023 1.643 860 HD2 HIS 112 HD2 HIS 112 -15.176 11.132 2.011 861 HE1 HIS 112 HE1 HIS 112 -19.313 11.078 2.914 862 HE2 HIS 112 HE2 HIS 112 -17.047 11.718 3.657 863 H ALA 113 H ALA 113 -13.120 7.192 1.562 864 HA ALA 113 HA ALA 113 -13.270 5.097 -0.173 865 HB1 ALA 113 1HB ALA 113 -11.133 5.881 1.529 866 HB2 ALA 113 2HB ALA 113 -11.760 6.952 0.237 867 HB3 ALA 113 3HB ALA 113 -10.975 5.331 -0.172 868 H ARG 114 H ARG 114 -12.813 5.837 3.065 869 HA ARG 114 HA ARG 114 -12.047 3.465 3.967 870 HB2 ARG 114 1HB ARG 114 -11.899 5.768 5.159 871 HB3 ARG 114 2HB ARG 114 -13.561 5.579 5.426 872 HG2 ARG 114 1HG ARG 114 -13.453 3.988 7.044 873 HG3 ARG 114 2HG ARG 114 -11.863 3.419 6.539 874 HD2 ARG 114 1HD ARG 114 -11.857 4.686 8.694 875 HD3 ARG 114 2HD ARG 114 -10.793 5.346 7.462 876 HE ARG 114 HE ARG 114 -13.408 6.568 7.591 877 HH11 ARG 114 1HH1 ARG 114 -10.083 6.670 8.955 878 HH12 ARG 114 2HH1 ARG 114 -10.136 8.350 9.224 879 HH21 ARG 114 1HH2 ARG 114 -13.373 8.996 8.133 880 HH22 ARG 114 2HH2 ARG 114 -11.909 9.585 8.811 881 H LYS 115 H LYS 115 -15.078 4.452 2.547 882 HA LYS 115 HA LYS 115 -16.608 2.556 3.994 883 HB2 LYS 115 1HB LYS 115 -18.274 4.268 4.136 884 HB3 LYS 115 2HB LYS 115 -16.745 5.177 4.028 885 HG2 LYS 115 1HG LYS 115 -17.970 6.315 2.582 886 HG3 LYS 115 2HG LYS 115 -17.029 5.179 1.596 887 HD2 LYS 115 1HD LYS 115 -19.104 3.692 1.701 888 HD3 LYS 115 2HD LYS 115 -19.958 5.150 2.235 889 HE2 LYS 115 1HE LYS 115 -19.123 6.338 0.311 890 HE3 LYS 115 2HE LYS 115 -18.255 4.846 -0.132 891 HZ1 LYS 115 1HZ LYS 115 -20.360 4.941 -1.447 892 HZ2 LYS 115 2HZ LYS 115 -21.275 5.198 -0.047 893 HZ3 LYS 115 3HZ LYS 115 -20.507 3.763 -0.299 894 H GLN 116 H GLN 116 -15.052 3.591 1.040 895 HA GLN 116 HA GLN 116 -16.847 2.357 -0.327 896 HB2 GLN 116 1HB GLN 116 -15.292 2.237 -2.358 897 HB3 GLN 116 2HB GLN 116 -15.545 3.811 -1.618 898 HG2 GLN 116 1HG GLN 116 -13.334 3.868 -1.842 899 HG3 GLN 116 2HG GLN 116 -13.548 3.117 -0.234 900 HE21 GLN 116 1HE2 GLN 116 -12.153 -0.009 -1.248 901 HE22 GLN 116 2HE2 GLN 116 -13.185 0.768 -0.142 902 H LEU 117 H LEU 117 -14.672 0.810 1.619 903 HA LEU 117 HA LEU 117 -14.979 -1.767 0.438 904 HB2 LEU 117 1HB LEU 117 -13.196 -1.671 1.348 905 HB3 LEU 117 2HB LEU 117 -13.078 -0.899 2.739 906 HG LEU 117 HG LEU 117 -15.015 -2.956 2.668 907 HD11 LEU 117 1HD1 LEU 117 -13.587 -3.661 0.979 908 HD12 LEU 117 2HD1 LEU 117 -13.096 -4.719 2.325 909 HD13 LEU 117 3HD1 LEU 117 -12.200 -3.192 1.964 910 HD21 LEU 117 1HD2 LEU 117 -12.591 -2.492 4.408 911 HD22 LEU 117 2HD2 LEU 117 -13.738 -3.807 4.653 912 HD23 LEU 117 3HD2 LEU 117 -14.272 -2.132 4.799 913 H GLU 118 H GLU 118 -16.960 0.351 2.361 914 HA GLU 118 HA GLU 118 -18.421 -1.864 3.194 915 HB2 GLU 118 1HB GLU 118 -19.196 1.074 3.270 916 HB3 GLU 118 2HB GLU 118 -19.981 -0.214 4.160 917 HG2 GLU 118 1HG GLU 118 -17.190 0.810 4.627 918 HG3 GLU 118 2HG GLU 118 -18.608 1.205 5.603 919 H GLU 119 H GLU 119 -17.846 -0.508 0.562 920 HA GLU 119 HA GLU 119 -20.433 -0.557 -0.595 921 HB2 GLU 119 1HB GLU 119 -17.738 -0.235 -1.784 922 HB3 GLU 119 2HB GLU 119 -19.215 -0.059 -2.783 923 HG2 GLU 119 1HG GLU 119 -18.529 1.339 -0.351 924 HG3 GLU 119 2HG GLU 119 -18.037 2.026 -1.934 925 H ALA 120 H ALA 120 -17.297 -1.919 -0.685 926 HA ALA 120 HA ALA 120 -17.586 -4.116 -2.349 927 HB1 ALA 120 1HB ALA 120 -15.570 -2.853 -1.627 928 HB2 ALA 120 2HB ALA 120 -15.504 -4.621 -1.768 929 HB3 ALA 120 3HB ALA 120 -15.662 -3.852 -0.155 930 H LYS 121 H LYS 121 -17.446 -3.945 0.985 931 HA LYS 121 HA LYS 121 -18.013 -6.513 1.770 932 HB2 LYS 121 1HB LYS 121 -17.988 -3.858 2.617 933 HB3 LYS 121 2HB LYS 121 -19.106 -4.958 3.591 934 HG2 LYS 121 1HG LYS 121 -17.188 -6.188 3.757 935 HG3 LYS 121 2HG LYS 121 -16.299 -5.008 2.816 936 HD2 LYS 121 1HD LYS 121 -15.969 -4.647 5.318 937 HD3 LYS 121 2HD LYS 121 -16.489 -3.424 4.116 938 HE2 LYS 121 1HE LYS 121 -17.783 -3.135 6.197 939 HE3 LYS 121 2HE LYS 121 -18.639 -3.587 4.709 940 HZ1 LYS 121 1HZ LYS 121 -18.982 -5.791 5.545 941 HZ2 LYS 121 2HZ LYS 121 -19.434 -4.734 6.770 942 HZ3 LYS 121 3HZ LYS 121 -17.962 -5.541 6.831 943 H ALA 122 H ALA 122 -20.087 -4.003 1.696 944 HA ALA 122 HA ALA 122 -22.362 -5.243 1.978 945 HB1 ALA 122 1HB ALA 122 -23.407 -3.407 1.088 946 HB2 ALA 122 2HB ALA 122 -21.923 -3.149 0.100 947 HB3 ALA 122 3HB ALA 122 -21.829 -3.002 1.882 948 H ARG 123 H ARG 123 -20.302 -5.569 -0.854 949 HA ARG 123 HA ARG 123 -22.455 -6.102 -2.492 950 HB2 ARG 123 1HB ARG 123 -21.108 -5.260 -4.095 951 HB3 ARG 123 2HB ARG 123 -19.974 -5.027 -2.727 952 HG2 ARG 123 1HG ARG 123 -19.191 -7.271 -3.097 953 HG3 ARG 123 2HG ARG 123 -20.046 -7.329 -4.657 954 HD2 ARG 123 1HD ARG 123 -18.787 -5.181 -5.220 955 HD3 ARG 123 2HD ARG 123 -17.950 -5.543 -3.682 956 HE ARG 123 HE ARG 123 -17.595 -7.801 -5.000 957 HH11 ARG 123 1HH1 ARG 123 -17.002 -4.478 -6.047 958 HH12 ARG 123 2HH1 ARG 123 -15.727 -4.836 -7.112 959 HH21 ARG 123 1HH2 ARG 123 -15.798 -8.359 -6.488 960 HH22 ARG 123 2HH2 ARG 123 -15.017 -7.138 -7.365 961 H VAL 124 H VAL 124 -20.232 -7.307 -0.620 962 HA VAL 124 HA VAL 124 -19.665 -9.699 -2.042 963 HB VAL 124 HB VAL 124 -18.687 -8.690 0.525 964 HG11 VAL 124 1HG1 VAL 124 -17.933 -11.083 -1.038 965 HG12 VAL 124 2HG1 VAL 124 -18.648 -11.000 0.604 966 HG13 VAL 124 3HG1 VAL 124 -16.940 -10.492 0.335 967 HG21 VAL 124 1HG2 VAL 124 -17.958 -7.482 -1.175 968 HG22 VAL 124 2HG2 VAL 124 -17.411 -8.879 -2.148 969 HG23 VAL 124 3HG2 VAL 124 -16.563 -8.416 -0.633 970 H GLN 125 H GLN 125 -20.384 -8.644 0.855 971 HA GLN 125 HA GLN 125 -21.301 -9.312 2.734 972 HB2 GLN 125 1HB GLN 125 -21.850 -8.235 1.057 973 HB3 GLN 125 2HB GLN 125 -22.515 -7.712 1.975 974 HG2 GLN 125 1HG GLN 125 -23.228 -7.879 -0.333 975 HG3 GLN 125 2HG GLN 125 -23.087 -9.624 -0.289 976 HE21 GLN 125 1HE2 GLN 125 -26.548 -7.519 0.299 977 HE22 GLN 125 2HE2 GLN 125 -24.980 -6.809 0.038 978 H ALA 126 H ALA 126 -24.193 -10.380 2.205 979 HA ALA 126 HA ALA 126 -25.432 -12.155 2.282 980 HB1 ALA 126 1HB ALA 126 -23.288 -13.672 0.980 981 HB2 ALA 126 2HB ALA 126 -24.127 -12.253 0.298 982 HB3 ALA 126 3HB ALA 126 -25.100 -13.698 0.774 983 H GLN 127 H GLN 127 -22.200 -13.785 2.746 984 HA GLN 127 HA GLN 127 -23.050 -15.365 4.720 985 HB2 GLN 127 1HB GLN 127 -21.134 -15.015 2.794 986 HB3 GLN 127 2HB GLN 127 -20.277 -14.804 4.295 987 HG2 GLN 127 1HG GLN 127 -22.137 -16.888 3.540 988 HG3 GLN 127 2HG GLN 127 -20.387 -17.142 3.384 989 HE21 GLN 127 1HE2 GLN 127 -19.860 -17.745 6.833 990 HE22 GLN 127 2HE2 GLN 127 -19.148 -17.278 5.323 991 H ARG 128 H ARG 128 -22.580 -15.147 6.824 992 HA ARG 128 HA ARG 128 -22.345 -12.928 8.115 993 HB2 ARG 128 1HB ARG 128 -21.573 -15.692 8.857 994 HB3 ARG 128 2HB ARG 128 -21.222 -14.273 9.869 995 HG2 ARG 128 1HG ARG 128 -23.961 -14.506 8.857 996 HG3 ARG 128 2HG ARG 128 -23.524 -15.579 10.236 997 HD2 ARG 128 1HD ARG 128 -23.379 -12.642 9.870 998 HD3 ARG 128 2HD ARG 128 -24.549 -13.474 10.882 999 HE ARG 128 HE ARG 128 -22.834 -14.088 12.414 1000 HH11 ARG 128 1HH1 ARG 128 -21.782 -11.549 10.128 1001 HH12 ARG 128 2HH1 ARG 128 -20.372 -11.183 10.980 1002 HH21 ARG 128 1HH2 ARG 128 -20.844 -13.482 13.623 1003 HH22 ARG 128 2HH2 ARG 128 -19.819 -12.304 12.948 1004 H ALA 129 H ALA 129 -19.804 -14.867 6.795 1005 HA ALA 129 HA ALA 129 -17.709 -13.578 7.937 1006 HB1 ALA 129 1HB ALA 129 -18.011 -15.540 5.795 1007 HB2 ALA 129 2HB ALA 129 -17.583 -15.725 7.547 1008 HB3 ALA 129 3HB ALA 129 -16.437 -14.957 6.430 1009 H GLU 130 H GLU 130 -16.764 -11.768 7.101 1010 HA GLU 130 HA GLU 130 -16.220 -11.400 4.546 1011 HB2 GLU 130 1HB GLU 130 -17.511 -9.155 4.136 1012 HB3 GLU 130 2HB GLU 130 -18.387 -10.654 3.913 1013 HG2 GLU 130 1HG GLU 130 -19.973 -9.749 5.236 1014 HG3 GLU 130 2HG GLU 130 -18.815 -10.019 6.547 1015 H GLN 131 H GLN 131 -16.910 -8.672 6.772 1016 HA GLN 131 HA GLN 131 -14.056 -8.875 7.216 1017 HB2 GLN 131 1HB GLN 131 -13.950 -6.527 7.935 1018 HB3 GLN 131 2HB GLN 131 -14.754 -6.591 6.390 1019 HG2 GLN 131 1HG GLN 131 -16.045 -5.038 7.457 1020 HG3 GLN 131 2HG GLN 131 -16.911 -6.500 7.920 1021 HE21 GLN 131 1HE2 GLN 131 -16.742 -5.170 11.140 1022 HE22 GLN 131 2HE2 GLN 131 -17.746 -5.507 9.763 1023 H GLN 132 H GLN 132 -14.089 -10.509 8.429 1024 HA GLN 132 HA GLN 132 -15.437 -10.208 10.948 1025 HB2 GLN 132 1HB GLN 132 -15.178 -12.584 9.220 1026 HB3 GLN 132 2HB GLN 132 -15.350 -12.755 11.013 1027 HG2 GLN 132 1HG GLN 132 -17.142 -11.361 9.073 1028 HG3 GLN 132 2HG GLN 132 -17.445 -12.933 9.798 1029 HE21 GLN 132 1HE2 GLN 132 -18.165 -9.540 11.941 1030 HE22 GLN 132 2HE2 GLN 132 -17.332 -9.493 10.436 1031 H ALA 133 H ALA 133 -12.488 -10.092 9.581 1032 HA ALA 133 HA ALA 133 -10.992 -10.252 11.896 1033 HB1 ALA 133 1HB ALA 133 -11.225 -12.680 11.632 1034 HB2 ALA 133 2HB ALA 133 -9.566 -12.166 11.326 1035 HB3 ALA 133 3HB ALA 133 -10.629 -12.571 9.970 Start of MODEL 2 1 H1 MET 1 1H MET 1 26.112 6.906 24.115 2 H2 MET 1 2H MET 1 26.875 8.139 23.299 3 H3 MET 1 3H MET 1 27.143 7.962 24.975 4 HA MET 1 HA MET 1 29.006 7.137 23.639 5 HB2 MET 1 1HB MET 1 27.348 4.900 24.854 6 HB3 MET 1 2HB MET 1 29.046 4.763 24.432 7 HG2 MET 1 1HG MET 1 29.563 6.528 26.077 8 HG3 MET 1 2HG MET 1 27.862 6.574 26.525 9 HE1 MET 1 1HE MET 1 27.061 3.443 26.447 10 HE2 MET 1 2HE MET 1 26.590 4.544 27.740 11 HE3 MET 1 3HE MET 1 27.366 3.009 28.129 12 H GLY 2 H GLY 2 29.643 5.175 22.182 13 HA2 GLY 2 1HA GLY 2 27.959 5.420 19.853 14 HA3 GLY 2 2HA GLY 2 29.537 4.654 19.946 15 H SER 3 H SER 3 26.186 4.209 20.990 16 HA SER 3 HA SER 3 26.572 1.341 21.152 17 HB2 SER 3 1HB SER 3 25.140 2.630 22.810 18 HB3 SER 3 2HB SER 3 23.991 2.911 21.507 19 HG SER 3 HG SER 3 23.550 1.118 22.928 20 H SER 4 H SER 4 26.071 3.516 18.721 21 HA SER 4 HA SER 4 24.217 2.243 17.046 22 HB2 SER 4 1HB SER 4 26.519 4.015 16.241 23 HB3 SER 4 2HB SER 4 24.922 3.885 15.489 24 HG SER 4 HG SER 4 24.390 5.464 16.755 25 H HIS 5 H HIS 5 25.252 0.144 17.627 26 HA HIS 5 HA HIS 5 26.870 -0.877 15.428 27 HB2 HIS 5 1HB HIS 5 27.640 -1.155 18.364 28 HB3 HIS 5 2HB HIS 5 28.266 -2.213 17.110 29 HD1 HIS 5 HD1 HIS 5 28.976 0.969 18.829 30 HD2 HIS 5 HD2 HIS 5 29.858 -0.733 15.121 31 HE1 HIS 5 HE1 HIS 5 30.880 2.277 17.928 32 HE2 HIS 5 HE2 HIS 5 31.207 1.414 15.589 33 H HIS 6 H HIS 6 24.132 -0.997 16.064 34 HA HIS 6 HA HIS 6 23.860 -3.844 16.701 35 HB2 HIS 6 1HB HIS 6 21.828 -1.728 17.507 36 HB3 HIS 6 2HB HIS 6 21.747 -3.444 17.854 37 HD1 HIS 6 HD1 HIS 6 24.672 -3.747 19.076 38 HD2 HIS 6 HD2 HIS 6 21.966 -0.726 20.015 39 HE1 HIS 6 HE1 HIS 6 25.376 -2.879 21.319 40 HE2 HIS 6 HE2 HIS 6 23.986 -0.777 21.562 41 H HIS 7 H HIS 7 22.746 -4.900 15.157 42 HA HIS 7 HA HIS 7 21.881 -3.380 12.843 43 HB2 HIS 7 1HB HIS 7 23.232 -5.434 12.547 44 HB3 HIS 7 2HB HIS 7 21.983 -6.380 13.335 45 HD1 HIS 7 HD1 HIS 7 20.786 -7.769 11.612 46 HD2 HIS 7 HD2 HIS 7 21.807 -4.013 10.123 47 HE1 HIS 7 HE1 HIS 7 19.996 -7.748 9.268 48 HE2 HIS 7 HE2 HIS 7 20.179 -5.357 8.627 49 H HIS 8 H HIS 8 20.443 -4.032 15.631 50 HA HIS 8 HA HIS 8 18.374 -4.101 16.481 51 HB2 HIS 8 1HB HIS 8 17.735 -2.234 15.075 52 HB3 HIS 8 2HB HIS 8 17.570 -3.271 13.671 53 HD1 HIS 8 HD1 HIS 8 15.666 -1.924 16.579 54 HD2 HIS 8 HD2 HIS 8 15.131 -4.802 13.624 55 HE1 HIS 8 HE1 HIS 8 13.210 -2.467 16.580 56 HE2 HIS 8 HE2 HIS 8 12.908 -4.083 14.662 57 H HIS 9 H HIS 9 17.946 -5.541 13.264 58 HA HIS 9 HA HIS 9 17.779 -8.160 14.270 59 HB2 HIS 9 1HB HIS 9 15.590 -7.177 15.087 60 HB3 HIS 9 2HB HIS 9 15.129 -6.975 13.407 61 HD1 HIS 9 HD1 HIS 9 13.366 -8.583 13.114 62 HD2 HIS 9 HD2 HIS 9 16.615 -10.226 15.088 63 HE1 HIS 9 HE1 HIS 9 12.744 -10.965 13.579 64 HE2 HIS 9 HE2 HIS 9 14.837 -12.003 14.474 65 H HIS 10 H HIS 10 15.743 -6.730 11.710 66 HA HIS 10 HA HIS 10 17.466 -8.016 9.704 67 HB2 HIS 10 1HB HIS 10 15.028 -8.751 9.947 68 HB3 HIS 10 2HB HIS 10 14.565 -7.123 9.496 69 HD1 HIS 10 HD1 HIS 10 14.114 -6.803 7.071 70 HD2 HIS 10 HD2 HIS 10 16.468 -10.139 7.801 71 HE1 HIS 10 HE1 HIS 10 14.358 -7.924 4.878 72 HE2 HIS 10 HE2 HIS 10 15.120 -10.158 5.628 73 H SER 11 H SER 11 15.447 -5.270 10.483 74 HA SER 11 HA SER 11 17.296 -3.101 9.757 75 HB2 SER 11 1HB SER 11 15.783 -2.066 8.268 76 HB3 SER 11 2HB SER 11 16.056 -3.639 7.504 77 HG SER 11 HG SER 11 13.989 -4.195 7.979 78 H GLN 12 H GLN 12 14.250 -2.778 9.989 79 HA GLN 12 HA GLN 12 14.596 -1.874 12.743 80 HB2 GLN 12 1HB GLN 12 13.575 -0.178 10.446 81 HB3 GLN 12 2HB GLN 12 13.753 0.319 12.134 82 HG2 GLN 12 1HG GLN 12 16.099 0.253 12.044 83 HG3 GLN 12 2HG GLN 12 16.135 -0.673 10.542 84 HE21 GLN 12 1HE2 GLN 12 16.930 3.039 10.175 85 HE22 GLN 12 2HE2 GLN 12 17.460 1.821 11.282 86 H ASP 13 H ASP 13 13.421 -4.007 11.367 87 HA ASP 13 HA ASP 13 10.805 -3.902 10.772 88 HB2 ASP 13 1HB ASP 13 11.203 -6.227 10.842 89 HB3 ASP 13 2HB ASP 13 12.314 -5.390 9.768 90 HA PRO 14 HA PRO 14 9.283 -5.187 14.840 91 HB2 PRO 14 2HB PRO 14 6.850 -6.181 13.727 92 HB3 PRO 14 1HB PRO 14 7.156 -4.537 14.325 93 HG2 PRO 14 2HG PRO 14 6.648 -5.100 11.693 94 HG3 PRO 14 1HG PRO 14 7.569 -3.686 12.251 95 HD2 PRO 14 2HD PRO 14 8.612 -6.341 11.328 96 HD3 PRO 14 1HD PRO 14 9.142 -4.732 10.803 97 H MET 15 H MET 15 7.900 -7.819 12.613 98 HA MET 15 HA MET 15 8.352 -9.621 14.592 99 HB2 MET 15 1HB MET 15 7.218 -9.845 11.831 100 HB3 MET 15 2HB MET 15 7.608 -11.337 12.734 101 HG2 MET 15 1HG MET 15 5.886 -9.050 13.316 102 HG3 MET 15 2HG MET 15 5.423 -10.594 12.620 103 HE1 MET 15 1HE MET 15 3.841 -10.646 16.284 104 HE2 MET 15 2HE MET 15 3.500 -10.736 14.557 105 HE3 MET 15 3HE MET 15 4.074 -9.226 15.264 106 H GLU 16 H GLU 16 9.374 -9.781 11.243 107 HA GLU 16 HA GLU 16 12.057 -10.119 11.806 108 HB2 GLU 16 1HB GLU 16 12.432 -12.576 11.160 109 HB3 GLU 16 2HB GLU 16 11.778 -12.284 12.745 110 HG2 GLU 16 1HG GLU 16 10.718 -14.190 11.899 111 HG3 GLU 16 2HG GLU 16 9.530 -12.896 11.808 112 H ASN 17 H ASN 17 10.045 -11.517 9.172 113 HA ASN 17 HA ASN 17 10.349 -11.666 6.996 114 HB2 ASN 17 1HB ASN 17 9.817 -9.145 7.421 115 HB3 ASN 17 2HB ASN 17 11.503 -9.025 7.280 116 HD21 ASN 17 1HD2 ASN 17 10.865 -8.434 3.810 117 HD22 ASN 17 2HD2 ASN 17 11.296 -7.656 5.303 118 H GLN 18 H GLN 18 12.316 -12.753 8.393 119 HA GLN 18 HA GLN 18 14.879 -11.869 8.074 120 HB2 GLN 18 1HB GLN 18 13.438 -14.176 8.887 121 HB3 GLN 18 2HB GLN 18 14.985 -14.617 8.274 122 HG2 GLN 18 1HG GLN 18 14.278 -12.701 10.540 123 HG3 GLN 18 2HG GLN 18 15.025 -14.284 10.738 124 HE21 GLN 18 1HE2 GLN 18 18.071 -12.702 9.150 125 HE22 GLN 18 2HE2 GLN 18 16.910 -13.816 8.528 126 HA PRO 19 HA PRO 19 15.148 -14.850 3.907 127 HB2 PRO 19 2HB PRO 19 12.214 -14.381 3.609 128 HB3 PRO 19 1HB PRO 19 13.195 -15.730 2.956 129 HG2 PRO 19 2HG PRO 19 11.670 -16.118 5.013 130 HG3 PRO 19 1HG PRO 19 13.333 -16.745 5.033 131 HD2 PRO 19 2HD PRO 19 12.230 -14.431 6.561 132 HD3 PRO 19 1HD PRO 19 13.538 -15.551 6.930 133 H LYS 20 H LYS 20 15.611 -13.807 1.989 134 HA LYS 20 HA LYS 20 15.478 -11.211 1.483 135 HB2 LYS 20 1HB LYS 20 15.339 -13.603 -0.249 136 HB3 LYS 20 2HB LYS 20 16.126 -12.060 -0.591 137 HG2 LYS 20 1HG LYS 20 17.788 -12.414 0.917 138 HG3 LYS 20 2HG LYS 20 17.068 -13.634 1.802 139 HD2 LYS 20 1HD LYS 20 18.292 -13.977 -0.935 140 HD3 LYS 20 2HD LYS 20 18.641 -14.658 0.674 141 HE2 LYS 20 1HE LYS 20 17.712 -16.392 -0.261 142 HE3 LYS 20 2HE LYS 20 16.370 -15.658 0.628 143 HZ1 LYS 20 1HZ LYS 20 15.463 -14.771 -1.487 144 HZ2 LYS 20 2HZ LYS 20 15.715 -16.411 -1.671 145 HZ3 LYS 20 3HZ LYS 20 16.820 -15.324 -2.317 146 H LEU 21 H LEU 21 13.954 -10.003 -0.014 147 HA LEU 21 HA LEU 21 11.332 -10.265 0.217 148 HB2 LEU 21 1HB LEU 21 13.230 -9.133 -1.663 149 HB3 LEU 21 2HB LEU 21 11.627 -8.538 -1.649 150 HG LEU 21 HG LEU 21 13.823 -8.200 0.001 151 HD11 LEU 21 1HD1 LEU 21 12.362 -6.831 -1.510 152 HD12 LEU 21 2HD1 LEU 21 13.214 -6.279 0.006 153 HD13 LEU 21 3HD1 LEU 21 11.462 -6.705 0.109 154 HD21 LEU 21 1HD2 LEU 21 12.450 -7.424 1.744 155 HD22 LEU 21 2HD2 LEU 21 12.643 -9.235 1.505 156 HD23 LEU 21 3HD2 LEU 21 11.173 -8.328 0.827 157 H ASN 22 H ASN 22 13.233 -11.337 -2.443 158 HA ASN 22 HA ASN 22 13.054 -12.971 -4.009 159 HB2 ASN 22 1HB ASN 22 10.685 -14.013 -2.440 160 HB3 ASN 22 2HB ASN 22 11.741 -14.861 -3.555 161 HD21 ASN 22 1HD2 ASN 22 12.599 -15.143 -0.086 162 HD22 ASN 22 2HD2 ASN 22 11.036 -15.118 -0.823 163 H SER 23 H SER 23 11.186 -10.623 -3.677 164 HA SER 23 HA SER 23 10.145 -9.330 -5.189 165 HB2 SER 23 1HB SER 23 9.675 -9.924 -7.517 166 HB3 SER 23 2HB SER 23 11.126 -10.763 -7.061 167 HG SER 23 HG SER 23 9.802 -12.598 -6.593 168 H SER 24 H SER 24 8.233 -8.571 -5.288 169 HA SER 24 HA SER 24 6.277 -8.111 -4.757 170 HB2 SER 24 1HB SER 24 4.378 -9.617 -5.194 171 HB3 SER 24 2HB SER 24 5.521 -9.529 -6.522 172 HG SER 24 HG SER 24 6.452 -11.536 -5.409 173 H LYS 25 H LYS 25 5.609 -11.286 -3.217 174 HA LYS 25 HA LYS 25 4.077 -10.343 -1.234 175 HB2 LYS 25 1HB LYS 25 4.372 -12.493 -2.328 176 HB3 LYS 25 2HB LYS 25 5.913 -12.594 -1.591 177 HG2 LYS 25 1HG LYS 25 4.218 -13.800 -0.468 178 HG3 LYS 25 2HG LYS 25 5.171 -12.563 0.417 179 HD2 LYS 25 1HD LYS 25 3.483 -11.035 0.522 180 HD3 LYS 25 2HD LYS 25 2.676 -12.106 -0.672 181 HE2 LYS 25 1HE LYS 25 1.699 -12.269 1.653 182 HE3 LYS 25 2HE LYS 25 2.361 -13.650 0.716 183 HZ1 LYS 25 1HZ LYS 25 4.311 -13.749 2.121 184 HZ2 LYS 25 2HZ LYS 25 3.122 -13.557 3.273 185 HZ3 LYS 25 3HZ LYS 25 4.062 -12.270 2.757 186 H GLU 26 H GLU 26 7.232 -11.624 -0.808 187 HA GLU 26 HA GLU 26 7.016 -10.623 1.760 188 HB2 GLU 26 1HB GLU 26 9.488 -11.979 0.698 189 HB3 GLU 26 2HB GLU 26 9.087 -11.738 2.390 190 HG2 GLU 26 1HG GLU 26 7.748 -13.569 0.402 191 HG3 GLU 26 2HG GLU 26 8.575 -14.003 1.883 192 H VAL 27 H VAL 27 7.762 -8.963 -0.827 193 HA VAL 27 HA VAL 27 9.714 -7.172 0.472 194 HB VAL 27 HB VAL 27 10.393 -6.571 -1.484 195 HG11 VAL 27 1HG1 VAL 27 8.441 -8.295 -2.700 196 HG12 VAL 27 2HG1 VAL 27 9.887 -8.823 -1.717 197 HG13 VAL 27 3HG1 VAL 27 10.137 -7.898 -3.264 198 HG21 VAL 27 1HG2 VAL 27 7.610 -6.296 -2.354 199 HG22 VAL 27 2HG2 VAL 27 9.067 -5.551 -3.130 200 HG23 VAL 27 3HG2 VAL 27 8.576 -5.154 -1.426 201 H ILE 28 H ILE 28 6.147 -7.494 -0.015 202 HA ILE 28 HA ILE 28 5.614 -4.905 0.606 203 HB ILE 28 HB ILE 28 4.455 -7.545 1.278 204 HG12 ILE 28 1HG1 ILE 28 3.300 -7.264 -0.897 205 HG13 ILE 28 2HG1 ILE 28 2.753 -6.221 0.253 206 HG21 ILE 28 1HG2 ILE 28 3.779 -5.924 3.076 207 HG22 ILE 28 2HG2 ILE 28 2.370 -6.421 2.136 208 HG23 ILE 28 3HG2 ILE 28 3.070 -4.852 1.864 209 HD11 ILE 28 1HD1 ILE 28 3.395 -5.074 -1.882 210 HD12 ILE 28 2HD1 ILE 28 4.980 -5.145 -1.068 211 HD13 ILE 28 3HD1 ILE 28 3.730 -4.243 -0.299 212 H ALA 29 H ALA 29 6.306 -7.721 2.273 213 HA ALA 29 HA ALA 29 6.277 -6.860 4.683 214 HB1 ALA 29 1HB ALA 29 7.755 -8.734 5.195 215 HB2 ALA 29 2HB ALA 29 7.923 -8.805 3.379 216 HB3 ALA 29 3HB ALA 29 6.341 -9.027 4.128 217 H PHE 30 H PHE 30 9.108 -6.631 2.461 218 HA PHE 30 HA PHE 30 10.812 -5.509 4.368 219 HB2 PHE 30 2HB PHE 30 12.053 -5.917 2.646 220 HB3 PHE 30 1HB PHE 30 10.627 -5.858 1.556 221 HD1 PHE 30 1HD PHE 30 12.912 -3.512 3.484 222 HD2 PHE 30 2HD PHE 30 10.564 -4.331 -0.019 223 HE1 PHE 30 1HE PHE 30 13.684 -1.485 2.493 224 HE2 PHE 30 2HE PHE 30 11.366 -2.295 -0.951 225 HZ PHE 30 HZ PHE 30 12.932 -0.874 0.279 226 H LEU 31 H LEU 31 8.590 -4.313 1.953 227 HA LEU 31 HA LEU 31 8.979 -1.663 2.124 228 HB2 LEU 31 1HB LEU 31 6.815 -3.477 1.567 229 HB3 LEU 31 2HB LEU 31 6.331 -1.795 1.451 230 HG LEU 31 HG LEU 31 8.274 -3.408 -0.041 231 HD11 LEU 31 1HD1 LEU 31 5.800 -2.956 -0.530 232 HD12 LEU 31 2HD1 LEU 31 7.145 -3.055 -1.689 233 HD13 LEU 31 3HD1 LEU 31 6.457 -1.456 -1.357 234 HD21 LEU 31 1HD2 LEU 31 8.856 -1.174 -1.157 235 HD22 LEU 31 2HD2 LEU 31 9.613 -1.796 0.282 236 HD23 LEU 31 3HD2 LEU 31 8.353 -0.503 0.433 237 H ALA 32 H ALA 32 7.226 -3.784 4.037 238 HA ALA 32 HA ALA 32 5.913 -1.784 5.650 239 HB1 ALA 32 1HB ALA 32 5.053 -3.808 4.957 240 HB2 ALA 32 2HB ALA 32 4.991 -3.539 6.691 241 HB3 ALA 32 3HB ALA 32 6.226 -4.684 5.948 242 H GLU 33 H GLU 33 8.825 -3.723 5.980 243 HA GLU 33 HA GLU 33 8.869 -3.302 8.708 244 HB2 GLU 33 1HB GLU 33 10.715 -4.784 8.657 245 HB3 GLU 33 2HB GLU 33 9.578 -4.920 7.275 246 HG2 GLU 33 1HG GLU 33 10.845 -4.112 5.788 247 HG3 GLU 33 2HG GLU 33 11.939 -3.308 6.848 248 H ARG 34 H ARG 34 9.744 -1.946 5.997 249 HA ARG 34 HA ARG 34 11.707 -0.006 6.780 250 HB2 ARG 34 1HB ARG 34 11.513 -1.557 4.749 251 HB3 ARG 34 2HB ARG 34 10.403 -0.387 4.109 252 HG2 ARG 34 1HG ARG 34 12.473 0.094 3.285 253 HG3 ARG 34 2HG ARG 34 12.001 1.205 4.655 254 HD2 ARG 34 1HD ARG 34 13.414 0.159 6.189 255 HD3 ARG 34 2HD ARG 34 13.602 -1.165 5.032 256 HE ARG 34 HE ARG 34 14.903 0.227 3.735 257 HH11 ARG 34 1HH1 ARG 34 14.288 1.382 7.048 258 HH12 ARG 34 2HH1 ARG 34 15.694 2.292 7.210 259 HH21 ARG 34 1HH2 ARG 34 16.874 1.436 3.926 260 HH22 ARG 34 2HH2 ARG 34 17.291 2.363 5.295 261 H PHE 35 H PHE 35 8.311 -0.024 5.376 262 HA PHE 35 HA PHE 35 8.050 2.707 6.254 263 HB2 PHE 35 2HB PHE 35 7.215 0.883 4.325 264 HB3 PHE 35 1HB PHE 35 6.097 2.133 4.336 265 HD1 PHE 35 1HD PHE 35 7.956 0.800 2.377 266 HD2 PHE 35 2HD PHE 35 8.544 4.267 4.725 267 HE1 PHE 35 1HE PHE 35 9.583 1.436 0.916 268 HE2 PHE 35 2HE PHE 35 10.297 5.006 3.155 269 HZ PHE 35 HZ PHE 35 10.857 3.547 1.191 270 HA PRO 36 HA PRO 36 5.326 0.270 9.400 271 HB2 PRO 36 2HB PRO 36 5.812 2.952 10.514 272 HB3 PRO 36 1HB PRO 36 5.985 1.350 11.303 273 HG2 PRO 36 2HG PRO 36 7.959 3.045 10.220 274 HG3 PRO 36 1HG PRO 36 8.158 1.448 10.957 275 HD2 PRO 36 2HD PRO 36 8.658 1.996 8.352 276 HD3 PRO 36 1HD PRO 36 8.262 0.407 8.988 277 H HIS 37 H HIS 37 4.999 3.134 7.375 278 HA HIS 37 HA HIS 37 2.327 3.703 8.508 279 HB2 HIS 37 1HB HIS 37 4.072 5.801 7.598 280 HB3 HIS 37 2HB HIS 37 3.329 5.231 6.184 281 HD1 HIS 37 HD1 HIS 37 2.783 7.703 8.631 282 HD2 HIS 37 HD2 HIS 37 0.511 5.172 6.305 283 HE1 HIS 37 HE1 HIS 37 0.524 8.787 8.571 284 HE2 HIS 37 HE2 HIS 37 -0.572 7.541 6.698 285 H CYS 38 H CYS 38 3.832 3.595 5.406 286 HA CYS 38 HA CYS 38 1.818 3.208 3.751 287 HB2 CYS 38 2HB CYS 38 4.561 2.109 3.342 288 HB3 CYS 38 1HB CYS 38 3.519 3.056 2.293 289 HG CYS 38 HG CYS 38 4.022 5.446 3.214 290 H PHE 39 H PHE 39 3.887 0.718 5.212 291 HA PHE 39 HA PHE 39 2.146 -1.171 3.879 292 HB2 PHE 39 2HB PHE 39 4.761 -0.513 4.352 293 HB3 PHE 39 1HB PHE 39 4.881 -2.081 4.091 294 HD1 PHE 39 1HD PHE 39 2.699 -2.017 1.770 295 HD2 PHE 39 2HD PHE 39 5.967 0.316 3.015 296 HE1 PHE 39 1HE PHE 39 3.002 -1.195 -0.510 297 HE2 PHE 39 2HE PHE 39 6.322 1.108 1.061 298 HZ PHE 39 HZ PHE 39 4.812 0.445 -0.963 299 H SER 40 H SER 40 2.050 -3.345 4.924 300 HA SER 40 HA SER 40 2.915 -3.503 7.594 301 HB2 SER 40 1HB SER 40 0.594 -4.954 6.707 302 HB3 SER 40 2HB SER 40 1.100 -4.427 8.258 303 HG SER 40 HG SER 40 -0.773 -3.189 6.830 304 H ALA 41 H ALA 41 2.304 -5.813 7.725 305 HA ALA 41 HA ALA 41 3.234 -7.579 5.676 306 HB1 ALA 41 1HB ALA 41 5.505 -7.804 6.785 307 HB2 ALA 41 2HB ALA 41 4.947 -6.336 7.691 308 HB3 ALA 41 3HB ALA 41 5.074 -6.268 5.945 309 H GLU 42 H GLU 42 3.295 -6.347 8.912 310 HA GLU 42 HA GLU 42 3.124 -8.466 10.615 311 HB2 GLU 42 1HB GLU 42 2.276 -5.830 10.386 312 HB3 GLU 42 2HB GLU 42 2.109 -6.562 11.905 313 HG2 GLU 42 1HG GLU 42 4.570 -5.721 10.311 314 HG3 GLU 42 2HG GLU 42 4.144 -5.158 11.925 315 H GLY 43 H GLY 43 1.286 -6.393 9.100 316 HA2 GLY 43 1HA GLY 43 -1.044 -7.412 10.242 317 HA3 GLY 43 2HA GLY 43 -0.964 -5.744 9.676 318 H GLU 44 H GLU 44 -2.880 -7.616 8.674 319 HA GLU 44 HA GLU 44 -2.536 -9.088 6.554 320 HB2 GLU 44 1HB GLU 44 -4.585 -8.024 7.916 321 HB3 GLU 44 2HB GLU 44 -4.755 -7.234 6.348 322 HG2 GLU 44 1HG GLU 44 -4.979 -9.190 5.236 323 HG3 GLU 44 2HG GLU 44 -4.422 -10.172 6.589 324 H ALA 45 H ALA 45 -3.597 -5.748 5.891 325 HA ALA 45 HA ALA 45 -1.419 -5.408 4.053 326 HB1 ALA 45 1HB ALA 45 -2.539 -6.069 2.253 327 HB2 ALA 45 2HB ALA 45 -3.562 -4.641 2.423 328 HB3 ALA 45 3HB ALA 45 -4.038 -6.229 3.185 329 H ARG 46 H ARG 46 -2.576 -3.070 2.767 330 HA ARG 46 HA ARG 46 -3.421 -1.294 4.867 331 HB2 ARG 46 1HB ARG 46 -0.798 -1.783 4.902 332 HB3 ARG 46 2HB ARG 46 -0.809 -0.662 3.558 333 HG2 ARG 46 1HG ARG 46 -0.277 0.586 5.482 334 HG3 ARG 46 2HG ARG 46 -1.953 0.980 5.093 335 HD2 ARG 46 1HD ARG 46 -2.789 -0.336 6.846 336 HD3 ARG 46 2HD ARG 46 -1.270 -1.206 7.037 337 HE ARG 46 HE ARG 46 -1.942 1.430 8.028 338 HH11 ARG 46 1HH1 ARG 46 0.504 -1.132 7.678 339 HH12 ARG 46 2HH1 ARG 46 1.642 -0.418 8.698 340 HH21 ARG 46 1HH2 ARG 46 -0.370 2.353 9.615 341 HH22 ARG 46 2HH2 ARG 46 1.133 1.560 9.840 342 HA PRO 47 HA PRO 47 -4.887 0.446 0.898 343 HB2 PRO 47 2HB PRO 47 -5.050 2.961 2.490 344 HB3 PRO 47 1HB PRO 47 -6.399 2.243 1.592 345 HG2 PRO 47 2HG PRO 47 -6.392 2.102 4.177 346 HG3 PRO 47 1HG PRO 47 -6.762 0.628 3.256 347 HD2 PRO 47 2HD PRO 47 -4.222 1.360 4.659 348 HD3 PRO 47 1HD PRO 47 -5.105 -0.184 4.633 349 H LEU 48 H LEU 48 -3.492 1.142 -0.757 350 HA LEU 48 HA LEU 48 -1.406 3.171 -0.130 351 HB2 LEU 48 1HB LEU 48 -1.252 0.822 -2.014 352 HB3 LEU 48 2HB LEU 48 -0.204 2.190 -2.112 353 HG LEU 48 HG LEU 48 0.312 -0.110 -0.701 354 HD11 LEU 48 1HD1 LEU 48 2.145 1.176 0.122 355 HD12 LEU 48 2HD1 LEU 48 1.467 2.565 -0.758 356 HD13 LEU 48 3HD1 LEU 48 1.870 1.010 -1.581 357 HD21 LEU 48 1HD2 LEU 48 0.555 0.636 1.568 358 HD22 LEU 48 2HD2 LEU 48 -1.136 0.618 0.994 359 HD23 LEU 48 3HD2 LEU 48 -0.249 2.162 1.095 360 H LYS 49 H LYS 49 -0.589 4.072 -2.207 361 HA LYS 49 HA LYS 49 -2.914 4.693 -3.858 362 HB2 LYS 49 1HB LYS 49 -0.714 6.046 -2.989 363 HB3 LYS 49 2HB LYS 49 -0.660 6.085 -4.664 364 HG2 LYS 49 1HG LYS 49 -3.249 6.954 -3.324 365 HG3 LYS 49 2HG LYS 49 -2.125 7.969 -4.238 366 HD2 LYS 49 1HD LYS 49 -2.559 6.760 -6.277 367 HD3 LYS 49 2HD LYS 49 -3.578 5.602 -5.451 368 HE2 LYS 49 1HE LYS 49 -4.928 7.174 -6.677 369 HE3 LYS 49 2HE LYS 49 -5.170 7.418 -4.950 370 HZ1 LYS 49 1HZ LYS 49 -3.705 9.235 -4.997 371 HZ2 LYS 49 2HZ LYS 49 -4.950 9.515 -5.950 372 HZ3 LYS 49 3HZ LYS 49 -3.416 9.141 -6.665 373 H ILE 50 H ILE 50 -0.389 2.576 -3.970 374 HA ILE 50 HA ILE 50 0.844 1.548 -5.320 375 HB ILE 50 HB ILE 50 -1.488 2.109 -6.954 376 HG12 ILE 50 1HG1 ILE 50 -0.261 -0.165 -5.441 377 HG13 ILE 50 2HG1 ILE 50 -1.769 0.714 -5.177 378 HG21 ILE 50 1HG2 ILE 50 0.928 0.538 -7.576 379 HG22 ILE 50 2HG2 ILE 50 0.475 2.093 -8.295 380 HG23 ILE 50 3HG2 ILE 50 -0.504 0.605 -8.685 381 HD11 ILE 50 1HD1 ILE 50 -2.732 -0.343 -7.094 382 HD12 ILE 50 2HD1 ILE 50 -1.988 -1.568 -6.004 383 HD13 ILE 50 3HD1 ILE 50 -1.153 -1.078 -7.453 384 H GLY 51 H GLY 51 0.104 4.437 -6.796 385 HA2 GLY 51 1HA GLY 51 2.558 4.593 -8.321 386 HA3 GLY 51 2HA GLY 51 1.532 5.963 -7.893 387 H ILE 52 H ILE 52 1.911 5.043 -4.848 388 HA ILE 52 HA ILE 52 4.110 6.110 -3.826 389 HB ILE 52 HB ILE 52 2.604 4.991 -2.353 390 HG12 ILE 52 1HG1 ILE 52 5.157 3.667 -2.891 391 HG13 ILE 52 2HG1 ILE 52 4.839 4.903 -1.801 392 HG21 ILE 52 1HG2 ILE 52 3.177 2.578 -4.055 393 HG22 ILE 52 2HG2 ILE 52 1.575 3.368 -3.942 394 HG23 ILE 52 3HG2 ILE 52 2.277 2.516 -2.552 395 HD11 ILE 52 1HD1 ILE 52 3.949 3.449 -0.299 396 HD12 ILE 52 2HD1 ILE 52 4.999 2.360 -1.375 397 HD13 ILE 52 3HD1 ILE 52 3.308 2.445 -1.601 398 H PHE 53 H PHE 53 3.911 3.029 -5.643 399 HA PHE 53 HA PHE 53 5.998 1.714 -4.852 400 HB2 PHE 53 2HB PHE 53 4.715 0.892 -6.270 401 HB3 PHE 53 1HB PHE 53 4.688 2.206 -7.427 402 HD1 PHE 53 1HD PHE 53 6.595 -0.139 -5.877 403 HD2 PHE 53 2HD PHE 53 6.371 2.172 -9.250 404 HE1 PHE 53 1HE PHE 53 8.249 -1.445 -6.758 405 HE2 PHE 53 2HE PHE 53 8.379 0.904 -10.239 406 HZ PHE 53 HZ PHE 53 9.288 -0.992 -8.849 407 H GLN 54 H GLN 54 5.950 4.114 -7.197 408 HA GLN 54 HA GLN 54 8.546 4.510 -8.113 409 HB2 GLN 54 1HB GLN 54 6.395 5.315 -8.862 410 HB3 GLN 54 2HB GLN 54 6.261 5.692 -7.309 411 HG2 GLN 54 1HG GLN 54 8.166 7.189 -7.796 412 HG3 GLN 54 2HG GLN 54 6.973 7.943 -9.047 413 HE21 GLN 54 1HE2 GLN 54 7.214 7.363 -5.344 414 HE22 GLN 54 2HE2 GLN 54 5.826 6.580 -5.966 415 H ASP 55 H ASP 55 7.368 5.113 -5.268 416 HA ASP 55 HA ASP 55 9.160 7.182 -4.575 417 HB2 ASP 55 1HB ASP 55 6.460 6.750 -3.614 418 HB3 ASP 55 2HB ASP 55 7.355 6.001 -2.772 419 H LEU 56 H LEU 56 7.938 4.329 -3.610 420 HA LEU 56 HA LEU 56 9.474 3.304 -1.603 421 HB2 LEU 56 1HB LEU 56 8.118 2.559 -4.096 422 HB3 LEU 56 2HB LEU 56 8.075 3.014 -2.460 423 HG LEU 56 HG LEU 56 8.584 0.384 -2.596 424 HD11 LEU 56 1HD1 LEU 56 8.488 2.124 -0.642 425 HD12 LEU 56 2HD1 LEU 56 7.283 0.782 -0.681 426 HD13 LEU 56 3HD1 LEU 56 6.884 2.371 -1.404 427 HD21 LEU 56 1HD2 LEU 56 6.933 0.571 -3.941 428 HD22 LEU 56 2HD2 LEU 56 6.579 2.182 -3.096 429 HD23 LEU 56 3HD2 LEU 56 6.175 0.683 -2.289 430 H VAL 57 H VAL 57 9.654 3.172 -4.866 431 HA VAL 57 HA VAL 57 11.972 1.847 -4.860 432 HB VAL 57 HB VAL 57 12.210 2.197 -7.225 433 HG11 VAL 57 1HG1 VAL 57 9.402 2.174 -6.837 434 HG12 VAL 57 2HG1 VAL 57 10.239 1.375 -5.562 435 HG13 VAL 57 3HG1 VAL 57 10.498 0.743 -7.265 436 HG21 VAL 57 1HG2 VAL 57 10.077 4.275 -6.764 437 HG22 VAL 57 2HG2 VAL 57 10.553 3.553 -8.318 438 HG23 VAL 57 3HG2 VAL 57 11.756 4.444 -7.280 439 H ASP 58 H ASP 58 11.519 5.309 -4.901 440 HA ASP 58 HA ASP 58 13.867 6.388 -5.529 441 HB2 ASP 58 1HB ASP 58 11.737 7.166 -4.078 442 HB3 ASP 58 2HB ASP 58 12.837 6.744 -2.914 443 H ARG 59 H ARG 59 12.776 4.726 -2.786 444 HA ARG 59 HA ARG 59 14.864 5.098 -0.960 445 HB2 ARG 59 1HB ARG 59 12.163 4.664 -1.228 446 HB3 ARG 59 2HB ARG 59 12.805 4.156 0.373 447 HG2 ARG 59 1HG ARG 59 13.306 6.460 0.838 448 HG3 ARG 59 2HG ARG 59 13.166 6.914 -0.863 449 HD2 ARG 59 1HD ARG 59 10.973 7.228 -0.704 450 HD3 ARG 59 2HD ARG 59 10.741 5.699 0.139 451 HE ARG 59 HE ARG 59 11.621 7.106 2.127 452 HH11 ARG 59 1HH1 ARG 59 9.394 8.521 -0.425 453 HH12 ARG 59 2HH1 ARG 59 8.744 9.580 0.690 454 HH21 ARG 59 1HH2 ARG 59 10.521 8.763 3.559 455 HH22 ARG 59 2HH2 ARG 59 9.355 9.747 2.813 456 H VAL 60 H VAL 60 12.474 2.558 -1.918 457 HA VAL 60 HA VAL 60 13.251 0.794 -0.144 458 HB VAL 60 HB VAL 60 11.877 -0.683 -1.554 459 HG11 VAL 60 1HG1 VAL 60 10.832 0.502 -0.080 460 HG12 VAL 60 2HG1 VAL 60 10.216 1.015 -1.816 461 HG13 VAL 60 3HG1 VAL 60 11.335 2.066 -0.872 462 HG21 VAL 60 1HG2 VAL 60 12.329 1.397 -3.242 463 HG22 VAL 60 2HG2 VAL 60 10.651 0.929 -3.168 464 HG23 VAL 60 3HG2 VAL 60 11.916 -0.271 -3.656 465 H ALA 61 H ALA 61 14.020 1.049 -3.414 466 HA ALA 61 HA ALA 61 13.751 -1.476 -3.936 467 HB1 ALA 61 1HB ALA 61 15.405 0.252 -5.604 468 HB2 ALA 61 2HB ALA 61 13.617 0.214 -5.371 469 HB3 ALA 61 3HB ALA 61 14.443 -1.206 -6.008 470 H GLY 62 H GLY 62 16.724 -0.559 -4.414 471 HA2 GLY 62 1HA GLY 62 17.242 -3.359 -4.006 472 HA3 GLY 62 2HA GLY 62 18.274 -2.481 -5.055 473 H GLU 63 H GLU 63 17.092 -1.823 -2.078 474 HA GLU 63 HA GLU 63 19.347 -1.365 -0.567 475 HB2 GLU 63 1HB GLU 63 16.603 -2.134 -0.062 476 HB3 GLU 63 2HB GLU 63 17.604 -2.180 1.330 477 HG2 GLU 63 1HG GLU 63 18.118 0.343 0.291 478 HG3 GLU 63 2HG GLU 63 16.504 0.002 -0.357 479 H MET 64 H MET 64 17.122 -4.080 -0.648 480 HA MET 64 HA MET 64 19.250 -5.858 0.180 481 HB2 MET 64 1HB MET 64 16.473 -6.651 0.434 482 HB3 MET 64 2HB MET 64 17.866 -7.338 1.158 483 HG2 MET 64 1HG MET 64 16.590 -6.376 2.826 484 HG3 MET 64 2HG MET 64 18.048 -5.369 2.675 485 HE1 MET 64 1HE MET 64 14.184 -5.732 1.685 486 HE2 MET 64 2HE MET 64 15.073 -5.437 0.181 487 HE3 MET 64 3HE MET 64 13.986 -4.217 0.850 488 H ASN 65 H ASN 65 16.334 -5.977 -1.284 489 HA ASN 65 HA ASN 65 17.405 -7.724 -3.248 490 HB2 ASN 65 1HB ASN 65 15.482 -7.993 -1.269 491 HB3 ASN 65 2HB ASN 65 15.076 -9.073 -2.415 492 HD21 ASN 65 1HD2 ASN 65 17.257 -9.879 0.276 493 HD22 ASN 65 2HD2 ASN 65 16.192 -8.588 0.300 494 H LEU 66 H LEU 66 16.362 -5.151 -4.104 495 HA LEU 66 HA LEU 66 13.938 -5.929 -5.731 496 HB2 LEU 66 1HB LEU 66 14.673 -4.152 -3.902 497 HB3 LEU 66 2HB LEU 66 13.815 -3.163 -4.954 498 HG LEU 66 HG LEU 66 13.453 -4.778 -2.624 499 HD11 LEU 66 1HD1 LEU 66 11.426 -3.383 -2.440 500 HD12 LEU 66 2HD1 LEU 66 11.992 -2.636 -3.997 501 HD13 LEU 66 3HD1 LEU 66 13.004 -2.585 -2.592 502 HD21 LEU 66 1HD2 LEU 66 12.782 -6.194 -4.057 503 HD22 LEU 66 2HD2 LEU 66 11.455 -5.244 -4.799 504 HD23 LEU 66 3HD2 LEU 66 11.346 -5.835 -3.066 505 H SER 67 H SER 67 13.904 -5.446 -7.487 506 HA SER 67 HA SER 67 15.834 -3.679 -8.795 507 HB2 SER 67 1HB SER 67 16.049 -6.044 -9.206 508 HB3 SER 67 2HB SER 67 14.333 -6.147 -9.559 509 HG SER 67 HG SER 67 15.957 -6.016 -11.406 510 H LYS 68 H LYS 68 13.452 -2.718 -7.511 511 HA LYS 68 HA LYS 68 11.434 -1.695 -7.593 512 HB2 LYS 68 1HB LYS 68 11.344 -1.038 -10.307 513 HB3 LYS 68 2HB LYS 68 11.220 0.056 -8.987 514 HG2 LYS 68 1HG LYS 68 13.712 -0.832 -10.418 515 HG3 LYS 68 2HG LYS 68 13.051 0.810 -10.295 516 HD2 LYS 68 1HD LYS 68 13.623 0.940 -7.982 517 HD3 LYS 68 2HD LYS 68 13.383 -0.768 -8.094 518 HE2 LYS 68 1HE LYS 68 15.881 0.028 -7.758 519 HE3 LYS 68 2HE LYS 68 15.584 -1.145 -9.037 520 HZ1 LYS 68 1HZ LYS 68 15.822 1.796 -9.417 521 HZ2 LYS 68 2HZ LYS 68 15.544 0.665 -10.641 522 HZ3 LYS 68 3HZ LYS 68 17.009 0.654 -9.806 523 H THR 69 H THR 69 11.591 -3.740 -10.561 524 HA THR 69 HA THR 69 8.817 -3.429 -10.708 525 HB THR 69 HB THR 69 8.951 -4.759 -12.367 526 HG1 THR 69 1HG THR 69 11.402 -5.561 -12.914 527 HG21 THR 69 1HG2 THR 69 11.301 -3.019 -12.243 528 HG22 THR 69 2HG2 THR 69 9.685 -2.559 -12.826 529 HG23 THR 69 3HG2 THR 69 10.744 -3.609 -13.815 530 H GLN 70 H GLN 70 10.997 -5.497 -9.342 531 HA GLN 70 HA GLN 70 9.115 -7.645 -8.771 532 HB2 GLN 70 1HB GLN 70 10.913 -8.502 -7.304 533 HB3 GLN 70 2HB GLN 70 11.505 -8.249 -8.916 534 HG2 GLN 70 1HG GLN 70 12.513 -6.247 -8.263 535 HG3 GLN 70 2HG GLN 70 11.569 -6.494 -6.764 536 HE21 GLN 70 1HE2 GLN 70 13.469 -8.512 -5.238 537 HE22 GLN 70 2HE2 GLN 70 11.935 -7.773 -5.400 538 H LEU 71 H LEU 71 9.540 -4.656 -7.670 539 HA LEU 71 HA LEU 71 8.355 -5.060 -5.015 540 HB2 LEU 71 1HB LEU 71 10.489 -3.731 -5.580 541 HB3 LEU 71 2HB LEU 71 9.575 -2.636 -6.397 542 HG LEU 71 HG LEU 71 10.195 -2.851 -3.734 543 HD11 LEU 71 1HD1 LEU 71 9.720 -0.561 -3.654 544 HD12 LEU 71 2HD1 LEU 71 8.729 -0.718 -5.134 545 HD13 LEU 71 3HD1 LEU 71 10.489 -0.921 -5.192 546 HD21 LEU 71 1HD2 LEU 71 8.227 -3.702 -3.143 547 HD22 LEU 71 2HD2 LEU 71 7.407 -2.800 -4.396 548 HD23 LEU 71 3HD2 LEU 71 8.010 -1.937 -2.955 549 H ARG 72 H ARG 72 7.949 -3.529 -8.205 550 HA ARG 72 HA ARG 72 5.685 -2.210 -7.358 551 HB2 ARG 72 1HB ARG 72 5.223 -1.692 -9.819 552 HB3 ARG 72 2HB ARG 72 6.935 -1.597 -9.384 553 HG2 ARG 72 1HG ARG 72 7.057 -2.606 -11.328 554 HG3 ARG 72 2HG ARG 72 7.124 -3.806 -9.981 555 HD2 ARG 72 1HD ARG 72 5.690 -4.766 -11.749 556 HD3 ARG 72 2HD ARG 72 4.815 -4.184 -10.293 557 HE ARG 72 HE ARG 72 4.301 -2.158 -11.557 558 HH11 ARG 72 1HH1 ARG 72 4.793 -5.197 -13.329 559 HH12 ARG 72 2HH1 ARG 72 3.900 -4.744 -14.696 560 HH21 ARG 72 1HH2 ARG 72 3.044 -1.500 -13.462 561 HH22 ARG 72 2HH2 ARG 72 2.871 -2.561 -14.772 562 H SER 73 H SER 73 6.237 -5.471 -8.107 563 HA SER 73 HA SER 73 3.719 -6.260 -8.854 564 HB2 SER 73 1HB SER 73 4.992 -8.257 -8.718 565 HB3 SER 73 2HB SER 73 5.805 -6.811 -9.543 566 HG SER 73 HG SER 73 6.971 -8.268 -7.947 567 H ALA 74 H ALA 74 5.512 -5.717 -6.279 568 HA ALA 74 HA ALA 74 4.112 -7.323 -4.217 569 HB1 ALA 74 1HB ALA 74 6.489 -6.451 -3.907 570 HB2 ALA 74 2HB ALA 74 5.395 -6.088 -2.603 571 HB3 ALA 74 3HB ALA 74 5.783 -4.844 -3.790 572 H LEU 75 H LEU 75 3.911 -4.600 -5.797 573 HA LEU 75 HA LEU 75 2.130 -3.255 -4.022 574 HB2 LEU 75 1HB LEU 75 4.205 -3.235 -5.033 575 HB3 LEU 75 2HB LEU 75 4.004 -2.217 -6.193 576 HG LEU 75 HG LEU 75 3.856 -2.092 -3.166 577 HD11 LEU 75 1HD1 LEU 75 5.852 -1.936 -4.928 578 HD12 LEU 75 2HD1 LEU 75 5.783 -1.113 -3.361 579 HD13 LEU 75 3HD1 LEU 75 5.248 -0.260 -4.812 580 HD21 LEU 75 1HD2 LEU 75 2.173 -0.406 -4.250 581 HD22 LEU 75 2HD2 LEU 75 3.774 0.458 -4.578 582 HD23 LEU 75 3HD2 LEU 75 3.294 0.012 -2.959 583 H ARG 76 H ARG 76 1.592 -5.333 -5.621 584 HA ARG 76 HA ARG 76 -0.638 -4.765 -7.466 585 HB2 ARG 76 1HB ARG 76 1.849 -6.123 -8.152 586 HB3 ARG 76 2HB ARG 76 0.451 -7.158 -8.402 587 HG2 ARG 76 1HG ARG 76 1.228 -5.922 -10.394 588 HG3 ARG 76 2HG ARG 76 -0.454 -5.585 -9.955 589 HD2 ARG 76 1HD ARG 76 1.463 -4.183 -8.599 590 HD3 ARG 76 2HD ARG 76 1.472 -3.644 -10.338 591 HE ARG 76 HE ARG 76 -0.195 -2.850 -8.237 592 HH11 ARG 76 1HH1 ARG 76 -0.757 -4.084 -11.533 593 HH12 ARG 76 2HH1 ARG 76 -2.281 -3.355 -11.738 594 HH21 ARG 76 1HH2 ARG 76 -2.328 -1.839 -8.537 595 HH22 ARG 76 2HH2 ARG 76 -3.209 -2.026 -9.975 596 H LEU 77 H LEU 77 1.356 -6.973 -5.749 597 HA LEU 77 HA LEU 77 -0.219 -9.238 -5.536 598 HB2 LEU 77 1HB LEU 77 2.293 -8.842 -4.841 599 HB3 LEU 77 2HB LEU 77 1.729 -8.135 -3.584 600 HG LEU 77 HG LEU 77 0.311 -10.413 -3.306 601 HD11 LEU 77 1HD1 LEU 77 2.080 -11.395 -4.820 602 HD12 LEU 77 2HD1 LEU 77 2.369 -11.836 -3.071 603 HD13 LEU 77 3HD1 LEU 77 3.155 -10.404 -3.816 604 HD21 LEU 77 1HD2 LEU 77 1.890 -10.397 -1.355 605 HD22 LEU 77 2HD2 LEU 77 1.031 -8.869 -1.745 606 HD23 LEU 77 3HD2 LEU 77 2.682 -9.149 -2.378 607 H TYR 78 H TYR 78 0.588 -6.948 -3.104 608 HA TYR 78 HA TYR 78 -1.467 -8.116 -1.622 609 HB2 TYR 78 2HB TYR 78 -0.677 -7.281 0.355 610 HB3 TYR 78 1HB TYR 78 0.807 -7.297 -0.490 611 HD1 TYR 78 1HD TYR 78 0.655 -4.834 -2.058 612 HD2 TYR 78 2HD TYR 78 -0.519 -5.893 1.821 613 HE1 TYR 78 1HE TYR 78 0.892 -2.514 -1.416 614 HE2 TYR 78 2HE TYR 78 -0.251 -3.693 2.560 615 HH TYR 78 HH TYR 78 0.119 -1.827 2.045 616 H THR 79 H THR 79 -1.018 -5.647 -3.603 617 HA THR 79 HA THR 79 -3.134 -3.893 -2.612 618 HB THR 79 HB THR 79 -2.703 -2.412 -4.351 619 HG1 THR 79 1HG THR 79 -2.636 -4.243 -5.977 620 HG21 THR 79 1HG2 THR 79 -0.270 -2.220 -4.255 621 HG22 THR 79 2HG2 THR 79 -0.280 -3.921 -3.690 622 HG23 THR 79 3HG2 THR 79 -1.033 -2.684 -2.702 623 H SER 80 H SER 80 -3.065 -6.658 -4.580 624 HA SER 80 HA SER 80 -5.641 -6.029 -5.707 625 HB2 SER 80 1HB SER 80 -3.953 -8.544 -5.930 626 HB3 SER 80 2HB SER 80 -5.492 -8.282 -6.754 627 HG SER 80 HG SER 80 -3.029 -7.013 -7.097 628 H SER 81 H SER 81 -4.517 -6.752 -2.726 629 HA SER 81 HA SER 81 -6.556 -8.618 -2.183 630 HB2 SER 81 1HB SER 81 -4.775 -8.915 -0.942 631 HB3 SER 81 2HB SER 81 -4.498 -7.182 -0.510 632 HG SER 81 HG SER 81 -6.530 -9.034 0.247 633 H TRP 82 H TRP 82 -7.995 -8.022 -0.764 634 HA TRP 82 HA TRP 82 -9.535 -5.563 -1.652 635 HB2 TRP 82 2HB TRP 82 -10.468 -8.092 -1.283 636 HB3 TRP 82 1HB TRP 82 -10.531 -7.446 0.349 637 HD1 TRP 82 1HD TRP 82 -11.169 -5.419 -2.658 638 HE1 TRP 82 1HE TRP 82 -13.590 -4.993 -2.796 639 HE3 TRP 82 3HE TRP 82 -12.517 -8.283 1.127 640 HZ2 TRP 82 2HZ TRP 82 -15.782 -5.696 -1.397 641 HZ3 TRP 82 3HZ TRP 82 -14.837 -8.302 1.690 642 HH2 TRP 82 2HH TRP 82 -16.468 -7.058 0.340 643 H ARG 83 H ARG 83 -8.616 -7.023 1.166 644 HA ARG 83 HA ARG 83 -9.365 -4.908 2.792 645 HB2 ARG 83 1HB ARG 83 -8.016 -5.831 4.422 646 HB3 ARG 83 2HB ARG 83 -9.035 -6.975 3.550 647 HG2 ARG 83 1HG ARG 83 -6.965 -7.415 2.061 648 HG3 ARG 83 2HG ARG 83 -6.056 -6.835 3.462 649 HD2 ARG 83 1HD ARG 83 -6.693 -8.597 4.771 650 HD3 ARG 83 2HD ARG 83 -8.187 -8.798 3.891 651 HE ARG 83 HE ARG 83 -6.199 -9.393 2.117 652 HH11 ARG 83 1HH1 ARG 83 -7.186 -10.839 5.256 653 HH12 ARG 83 2HH1 ARG 83 -7.120 -12.424 4.718 654 HH21 ARG 83 1HH2 ARG 83 -6.189 -11.611 1.378 655 HH22 ARG 83 2HH2 ARG 83 -6.481 -12.912 2.459 656 H TYR 84 H TYR 84 -6.903 -5.113 0.728 657 HA TYR 84 HA TYR 84 -5.321 -2.953 1.575 658 HB2 TYR 84 2HB TYR 84 -4.606 -4.485 -0.160 659 HB3 TYR 84 1HB TYR 84 -6.045 -4.177 -1.032 660 HD1 TYR 84 1HD TYR 84 -6.372 -2.427 -2.429 661 HD2 TYR 84 2HD TYR 84 -2.863 -2.623 -0.072 662 HE1 TYR 84 1HE TYR 84 -5.432 -0.608 -3.742 663 HE2 TYR 84 2HE TYR 84 -1.884 -0.805 -1.293 664 HH TYR 84 HH TYR 84 -3.718 1.151 -3.475 665 H LEU 85 H LEU 85 -7.895 -3.130 -0.828 666 HA LEU 85 HA LEU 85 -8.083 -0.322 -0.915 667 HB2 LEU 85 1HB LEU 85 -10.000 -0.555 -2.328 668 HB3 LEU 85 2HB LEU 85 -8.317 -0.889 -2.955 669 HG LEU 85 HG LEU 85 -10.228 -2.178 -4.027 670 HD11 LEU 85 1HD1 LEU 85 -8.104 -3.274 -3.672 671 HD12 LEU 85 2HD1 LEU 85 -9.542 -4.364 -3.544 672 HD13 LEU 85 3HD1 LEU 85 -8.750 -3.715 -2.079 673 HD21 LEU 85 1HD2 LEU 85 -11.708 -1.950 -2.040 674 HD22 LEU 85 2HD2 LEU 85 -10.706 -3.110 -1.252 675 HD23 LEU 85 3HD2 LEU 85 -11.656 -3.572 -2.660 676 H TYR 86 H TYR 86 -9.258 -1.984 1.171 677 HA TYR 86 HA TYR 86 -11.783 -1.454 1.645 678 HB2 TYR 86 2HB TYR 86 -9.461 -1.946 2.819 679 HB3 TYR 86 1HB TYR 86 -10.435 -1.159 4.046 680 HD1 TYR 86 1HD TYR 86 -10.852 -3.494 1.246 681 HD2 TYR 86 2HD TYR 86 -11.125 -3.048 5.454 682 HE1 TYR 86 1HE TYR 86 -11.731 -5.504 1.334 683 HE2 TYR 86 2HE TYR 86 -12.105 -5.250 5.618 684 HH TYR 86 HH TYR 86 -12.174 -7.395 2.943 685 H GLY 87 H GLY 87 -9.149 0.573 1.422 686 HA2 GLY 87 1HA GLY 87 -10.555 2.916 1.194 687 HA3 GLY 87 2HA GLY 87 -9.650 3.076 2.704 688 H VAL 88 H VAL 88 -9.744 2.311 -0.702 689 HA VAL 88 HA VAL 88 -7.323 3.844 -0.991 690 HB VAL 88 HB VAL 88 -7.819 1.251 -2.412 691 HG11 VAL 88 1HG1 VAL 88 -6.641 2.920 -3.792 692 HG12 VAL 88 2HG1 VAL 88 -5.527 1.630 -3.339 693 HG13 VAL 88 3HG1 VAL 88 -5.453 3.184 -2.511 694 HG21 VAL 88 1HG2 VAL 88 -5.653 1.928 -0.508 695 HG22 VAL 88 2HG2 VAL 88 -6.117 0.279 -1.110 696 HG23 VAL 88 3HG2 VAL 88 -7.178 1.229 -0.057 697 H LYS 89 H LYS 89 -8.058 5.311 -2.540 698 HA LYS 89 HA LYS 89 -8.384 4.678 -5.123 699 HB2 LYS 89 1HB LYS 89 -10.589 3.863 -4.740 700 HB3 LYS 89 2HB LYS 89 -11.147 5.241 -3.881 701 HG2 LYS 89 1HG LYS 89 -11.118 6.556 -5.957 702 HG3 LYS 89 2HG LYS 89 -10.427 5.175 -6.820 703 HD2 LYS 89 1HD LYS 89 -13.052 5.050 -5.339 704 HD3 LYS 89 2HD LYS 89 -12.928 5.438 -7.056 705 HE2 LYS 89 1HE LYS 89 -12.187 3.311 -7.621 706 HE3 LYS 89 2HE LYS 89 -11.629 2.928 -6.004 707 HZ1 LYS 89 1HZ LYS 89 -14.501 3.213 -6.743 708 HZ2 LYS 89 2HZ LYS 89 -13.805 2.700 -5.261 709 HZ3 LYS 89 3HZ LYS 89 -13.637 1.748 -6.620 710 HA PRO 90 HA PRO 90 -7.936 9.317 -4.299 711 HB2 PRO 90 2HB PRO 90 -8.969 9.747 -1.708 712 HB3 PRO 90 1HB PRO 90 -9.486 10.644 -3.176 713 HG2 PRO 90 2HG PRO 90 -11.201 9.099 -1.866 714 HG3 PRO 90 1HG PRO 90 -11.154 9.067 -3.644 715 HD2 PRO 90 2HD PRO 90 -9.896 7.160 -1.723 716 HD3 PRO 90 1HD PRO 90 -10.906 6.863 -3.163 717 H GLY 91 H GLY 91 -7.462 10.406 -1.564 718 HA2 GLY 91 1HA GLY 91 -5.291 9.156 -1.298 719 HA3 GLY 91 2HA GLY 91 -5.400 10.592 -0.336 720 H ALA 92 H ALA 92 -7.076 8.124 -0.660 721 HA ALA 92 HA ALA 92 -7.701 6.903 1.851 722 HB1 ALA 92 1HB ALA 92 -8.363 4.952 0.344 723 HB2 ALA 92 2HB ALA 92 -7.695 6.022 -0.931 724 HB3 ALA 92 3HB ALA 92 -9.043 6.578 0.036 725 H THR 93 H THR 93 -5.407 6.292 -0.392 726 HA THR 93 HA THR 93 -3.855 4.304 0.457 727 HB THR 93 HB THR 93 -3.065 5.558 -1.363 728 HG1 THR 93 1HG THR 93 -1.543 5.052 0.487 729 HG21 THR 93 1HG2 THR 93 -2.619 7.994 -1.248 730 HG22 THR 93 2HG2 THR 93 -3.344 7.991 0.347 731 HG23 THR 93 3HG2 THR 93 -4.275 7.442 -1.025 732 H ARG 94 H ARG 94 -4.122 7.510 1.793 733 HA ARG 94 HA ARG 94 -3.274 8.625 3.485 734 HB2 ARG 94 1HB ARG 94 -3.407 5.915 4.638 735 HB3 ARG 94 2HB ARG 94 -2.487 7.274 5.352 736 HG2 ARG 94 1HG ARG 94 -4.614 7.243 6.493 737 HG3 ARG 94 2HG ARG 94 -4.758 8.513 5.287 738 HD2 ARG 94 1HD ARG 94 -6.124 7.004 3.839 739 HD3 ARG 94 2HD ARG 94 -5.725 5.693 4.930 740 HE ARG 94 HE ARG 94 -6.876 7.574 6.535 741 HH11 ARG 94 1HH1 ARG 94 -7.845 5.621 3.783 742 HH12 ARG 94 2HH1 ARG 94 -9.498 5.545 4.215 743 HH21 ARG 94 1HH2 ARG 94 -8.943 7.458 7.222 744 HH22 ARG 94 2HH2 ARG 94 -10.197 6.688 6.338 745 H VAL 95 H VAL 95 -1.268 6.876 1.523 746 HA VAL 95 HA VAL 95 0.950 7.850 2.929 747 HB VAL 95 HB VAL 95 1.970 5.971 3.471 748 HG11 VAL 95 1HG1 VAL 95 0.513 4.196 4.227 749 HG12 VAL 95 2HG1 VAL 95 -0.723 4.925 3.096 750 HG13 VAL 95 3HG1 VAL 95 -0.029 5.873 4.438 751 HG21 VAL 95 1HG2 VAL 95 1.823 3.856 2.065 752 HG22 VAL 95 2HG2 VAL 95 2.525 5.413 1.573 753 HG23 VAL 95 3HG2 VAL 95 0.952 4.950 0.901 754 H ASP 96 H ASP 96 2.438 8.126 1.944 755 HA ASP 96 HA ASP 96 3.563 7.099 -0.524 756 HB2 ASP 96 1HB ASP 96 4.845 9.268 -0.596 757 HB3 ASP 96 2HB ASP 96 3.149 9.630 -0.840 758 H LEU 97 H LEU 97 5.963 6.949 0.310 759 HA LEU 97 HA LEU 97 5.489 5.847 2.540 760 HB2 LEU 97 1HB LEU 97 8.117 5.679 1.245 761 HB3 LEU 97 2HB LEU 97 7.229 4.721 2.342 762 HG LEU 97 HG LEU 97 5.463 5.255 0.303 763 HD11 LEU 97 1HD1 LEU 97 6.647 4.417 -1.548 764 HD12 LEU 97 2HD1 LEU 97 8.003 4.031 -0.533 765 HD13 LEU 97 3HD1 LEU 97 7.647 5.738 -0.901 766 HD21 LEU 97 1HD2 LEU 97 5.622 3.559 1.804 767 HD22 LEU 97 2HD2 LEU 97 7.295 3.481 1.011 768 HD23 LEU 97 3HD2 LEU 97 5.786 3.020 0.043 769 H ASP 98 H ASP 98 5.586 8.820 2.811 770 HA ASP 98 HA ASP 98 7.063 8.900 5.234 771 HB2 ASP 98 1HB ASP 98 5.815 10.832 3.341 772 HB3 ASP 98 2HB ASP 98 6.026 11.376 4.978 773 H GLY 99 H GLY 99 4.001 8.735 3.648 774 HA2 GLY 99 1HA GLY 99 2.303 7.550 4.562 775 HA3 GLY 99 2HA GLY 99 2.555 8.010 6.102 776 H ASN 100 H ASN 100 2.323 10.017 3.137 777 HA ASN 100 HA ASN 100 0.193 11.819 4.069 778 HB2 ASN 100 1HB ASN 100 2.332 11.467 2.100 779 HB3 ASN 100 2HB ASN 100 1.160 12.553 1.618 780 HD21 ASN 100 1HD2 ASN 100 3.909 14.073 3.022 781 HD22 ASN 100 2HD2 ASN 100 3.719 12.779 1.888 782 HA PRO 101 HA PRO 101 -2.477 9.082 1.821 783 HB2 PRO 101 2HB PRO 101 -4.092 11.499 1.192 784 HB3 PRO 101 1HB PRO 101 -4.405 10.108 2.175 785 HG2 PRO 101 2HG PRO 101 -3.886 12.418 3.410 786 HG3 PRO 101 1HG PRO 101 -3.024 10.951 4.005 787 HD2 PRO 101 2HD PRO 101 -2.320 12.619 1.820 788 HD3 PRO 101 1HD PRO 101 -1.303 12.810 3.142 789 H CYS 102 H CYS 102 -0.647 9.112 0.269 790 HA CYS 102 HA CYS 102 0.616 9.846 -1.411 791 HB2 CYS 102 2HB CYS 102 -0.368 8.566 -2.852 792 HB3 CYS 102 1HB CYS 102 -2.001 8.995 -2.685 793 HG CYS 102 HG CYS 102 -0.293 11.392 -4.146 794 H GLY 103 H GLY 103 -0.951 11.616 0.179 795 HA2 GLY 103 1HA GLY 103 -0.782 13.881 0.912 796 HA3 GLY 103 2HA GLY 103 0.236 14.127 -0.488 797 H GLU 104 H GLU 104 -2.378 12.648 -1.041 798 HA GLU 104 HA GLU 104 -3.528 14.622 -2.765 799 HB2 GLU 104 1HB GLU 104 -3.594 12.676 -3.967 800 HB3 GLU 104 2HB GLU 104 -3.205 11.852 -2.455 801 HG2 GLU 104 1HG GLU 104 -5.185 11.387 -1.881 802 HG3 GLU 104 2HG GLU 104 -6.007 12.452 -3.103 803 H LEU 105 H LEU 105 -4.608 12.687 0.136 804 HA LEU 105 HA LEU 105 -6.857 14.557 0.319 805 HB2 LEU 105 1HB LEU 105 -7.330 12.114 -0.809 806 HB3 LEU 105 2HB LEU 105 -7.137 11.690 0.763 807 HG LEU 105 HG LEU 105 -9.036 13.926 0.452 808 HD11 LEU 105 1HD1 LEU 105 -9.204 11.337 -0.724 809 HD12 LEU 105 2HD1 LEU 105 -10.170 12.801 -1.141 810 HD13 LEU 105 3HD1 LEU 105 -10.603 11.737 0.292 811 HD21 LEU 105 1HD2 LEU 105 -9.807 11.676 1.958 812 HD22 LEU 105 2HD2 LEU 105 -9.312 13.368 2.363 813 HD23 LEU 105 3HD2 LEU 105 -8.095 12.163 2.183 814 H ASP 106 H ASP 106 -7.815 14.504 2.225 815 HA ASP 106 HA ASP 106 -6.432 14.545 4.762 816 HB2 ASP 106 1HB ASP 106 -8.262 16.157 4.289 817 HB3 ASP 106 2HB ASP 106 -9.102 14.960 3.401 818 H GLU 107 H GLU 107 -8.568 13.177 5.968 819 HA GLU 107 HA GLU 107 -8.751 10.558 4.639 820 HB2 GLU 107 1HB GLU 107 -7.755 9.379 6.278 821 HB3 GLU 107 2HB GLU 107 -7.178 11.041 6.599 822 HG2 GLU 107 1HG GLU 107 -8.613 11.425 8.265 823 HG3 GLU 107 2HG GLU 107 -9.647 10.101 7.830 824 H GLN 108 H GLN 108 -10.477 12.944 5.711 825 HA GLN 108 HA GLN 108 -12.853 11.342 6.348 826 HB2 GLN 108 1HB GLN 108 -11.979 13.408 7.731 827 HB3 GLN 108 2HB GLN 108 -12.561 14.243 6.282 828 HG2 GLN 108 1HG GLN 108 -14.723 13.460 6.538 829 HG3 GLN 108 2HG GLN 108 -14.153 12.266 7.718 830 HE21 GLN 108 1HE2 GLN 108 -13.635 15.286 9.997 831 HE22 GLN 108 2HE2 GLN 108 -12.531 14.248 9.164 832 H HIS 109 H HIS 109 -11.028 12.183 3.893 833 HA HIS 109 HA HIS 109 -13.522 11.990 2.496 834 HB2 HIS 109 1HB HIS 109 -11.015 13.012 1.767 835 HB3 HIS 109 2HB HIS 109 -12.386 13.201 0.609 836 HD1 HIS 109 HD1 HIS 109 -14.232 14.328 3.216 837 HD2 HIS 109 HD2 HIS 109 -10.635 15.914 1.855 838 HE1 HIS 109 HE1 HIS 109 -14.171 16.666 4.069 839 HE2 HIS 109 HE2 HIS 109 -11.794 17.306 3.682 840 H VAL 110 H VAL 110 -10.670 10.730 3.050 841 HA VAL 110 HA VAL 110 -11.328 9.059 1.026 842 HB VAL 110 HB VAL 110 -9.334 7.616 1.753 843 HG11 VAL 110 1HG1 VAL 110 -8.086 9.370 0.321 844 HG12 VAL 110 2HG1 VAL 110 -9.408 10.409 0.887 845 HG13 VAL 110 3HG1 VAL 110 -9.787 8.996 -0.123 846 HG21 VAL 110 1HG2 VAL 110 -9.061 8.785 3.870 847 HG22 VAL 110 2HG2 VAL 110 -8.885 10.276 2.876 848 HG23 VAL 110 3HG2 VAL 110 -7.636 9.021 2.806 849 H GLU 111 H GLU 111 -12.114 9.615 3.499 850 HA GLU 111 HA GLU 111 -12.806 7.479 5.197 851 HB2 GLU 111 1HB GLU 111 -12.822 9.795 5.588 852 HB3 GLU 111 2HB GLU 111 -14.005 10.306 4.825 853 HG2 GLU 111 1HG GLU 111 -14.530 7.943 6.332 854 HG3 GLU 111 2HG GLU 111 -14.587 9.489 7.286 855 H HIS 112 H HIS 112 -14.049 8.920 2.344 856 HA HIS 112 HA HIS 112 -16.227 7.123 2.301 857 HB2 HIS 112 1HB HIS 112 -15.055 8.951 0.475 858 HB3 HIS 112 2HB HIS 112 -16.654 8.254 0.057 859 HD1 HIS 112 HD1 HIS 112 -18.758 9.254 1.427 860 HD2 HIS 112 HD2 HIS 112 -15.115 10.860 2.537 861 HE1 HIS 112 HE1 HIS 112 -19.308 11.057 3.070 862 HE2 HIS 112 HE2 HIS 112 -17.055 11.309 4.096 863 H ALA 113 H ALA 113 -13.125 7.051 1.438 864 HA ALA 113 HA ALA 113 -13.413 5.176 -0.537 865 HB1 ALA 113 1HB ALA 113 -11.126 5.564 1.048 866 HB2 ALA 113 2HB ALA 113 -11.809 6.973 0.170 867 HB3 ALA 113 3HB ALA 113 -11.179 5.514 -0.764 868 H ARG 114 H ARG 114 -12.867 5.542 2.739 869 HA ARG 114 HA ARG 114 -12.044 3.107 3.397 870 HB2 ARG 114 1HB ARG 114 -12.181 5.197 4.876 871 HB3 ARG 114 2HB ARG 114 -13.863 4.861 4.998 872 HG2 ARG 114 1HG ARG 114 -13.021 2.455 5.811 873 HG3 ARG 114 2HG ARG 114 -11.698 3.459 6.412 874 HD2 ARG 114 1HD ARG 114 -13.349 3.322 8.145 875 HD3 ARG 114 2HD ARG 114 -13.425 4.947 7.468 876 HE ARG 114 HE ARG 114 -15.347 2.763 6.901 877 HH11 ARG 114 1HH1 ARG 114 -14.713 6.239 7.192 878 HH12 ARG 114 2HH1 ARG 114 -16.297 6.699 6.763 879 HH21 ARG 114 1HH2 ARG 114 -17.493 3.386 6.463 880 HH22 ARG 114 2HH2 ARG 114 -17.946 5.034 6.449 881 H LYS 115 H LYS 115 -15.150 4.407 2.255 882 HA LYS 115 HA LYS 115 -16.623 2.459 3.652 883 HB2 LYS 115 1HB LYS 115 -18.235 4.165 3.938 884 HB3 LYS 115 2HB LYS 115 -16.710 5.061 3.818 885 HG2 LYS 115 1HG LYS 115 -18.017 6.293 2.507 886 HG3 LYS 115 2HG LYS 115 -17.174 5.218 1.375 887 HD2 LYS 115 1HD LYS 115 -19.256 3.711 1.694 888 HD3 LYS 115 2HD LYS 115 -20.030 5.207 2.238 889 HE2 LYS 115 1HE LYS 115 -19.329 6.306 0.225 890 HE3 LYS 115 2HE LYS 115 -18.500 4.788 -0.219 891 HZ1 LYS 115 1HZ LYS 115 -20.719 4.842 -1.379 892 HZ2 LYS 115 2HZ LYS 115 -21.501 5.138 0.094 893 HZ3 LYS 115 3HZ LYS 115 -20.741 3.711 -0.170 894 H GLN 116 H GLN 116 -15.308 3.683 0.587 895 HA GLN 116 HA GLN 116 -17.233 2.590 -0.733 896 HB2 GLN 116 1HB GLN 116 -15.798 2.600 -2.845 897 HB3 GLN 116 2HB GLN 116 -15.965 4.113 -1.964 898 HG2 GLN 116 1HG GLN 116 -13.782 4.160 -2.248 899 HG3 GLN 116 2HG GLN 116 -13.887 3.203 -0.748 900 HE21 GLN 116 1HE2 GLN 116 -12.566 0.259 -2.330 901 HE22 GLN 116 2HE2 GLN 116 -13.612 0.769 -1.079 902 H LEU 117 H LEU 117 -14.839 0.871 0.835 903 HA LEU 117 HA LEU 117 -15.401 -1.619 -0.367 904 HB2 LEU 117 1HB LEU 117 -13.416 -0.211 0.462 905 HB3 LEU 117 2HB LEU 117 -13.526 -1.333 1.748 906 HG LEU 117 HG LEU 117 -12.397 -1.718 -0.230 907 HD11 LEU 117 1HD1 LEU 117 -13.098 -4.321 -0.195 908 HD12 LEU 117 2HD1 LEU 117 -14.531 -3.696 0.633 909 HD13 LEU 117 3HD1 LEU 117 -12.893 -3.406 1.284 910 HD21 LEU 117 1HD2 LEU 117 -13.943 -1.070 -2.011 911 HD22 LEU 117 2HD2 LEU 117 -14.961 -2.510 -1.764 912 HD23 LEU 117 3HD2 LEU 117 -13.376 -2.677 -2.304 913 H GLU 118 H GLU 118 -16.777 0.365 1.958 914 HA GLU 118 HA GLU 118 -17.638 -1.924 3.196 915 HB2 GLU 118 1HB GLU 118 -18.318 0.987 3.648 916 HB3 GLU 118 2HB GLU 118 -19.000 -0.317 4.614 917 HG2 GLU 118 1HG GLU 118 -16.859 -0.905 5.479 918 HG3 GLU 118 2HG GLU 118 -16.047 0.188 4.363 919 H GLU 119 H GLU 119 -17.985 -0.569 0.518 920 HA GLU 119 HA GLU 119 -20.746 -0.677 0.038 921 HB2 GLU 119 1HB GLU 119 -18.382 -0.507 -1.786 922 HB3 GLU 119 2HB GLU 119 -20.064 -0.348 -2.369 923 HG2 GLU 119 1HG GLU 119 -18.772 1.128 -0.310 924 HG3 GLU 119 2HG GLU 119 -18.609 1.697 -1.995 925 H ALA 120 H ALA 120 -17.552 -2.220 -0.629 926 HA ALA 120 HA ALA 120 -18.693 -4.309 -2.050 927 HB1 ALA 120 1HB ALA 120 -16.720 -2.916 -2.330 928 HB2 ALA 120 2HB ALA 120 -16.530 -4.615 -2.666 929 HB3 ALA 120 3HB ALA 120 -15.969 -3.885 -1.087 930 H LYS 121 H LYS 121 -17.244 -4.018 0.946 931 HA LYS 121 HA LYS 121 -17.254 -6.643 1.892 932 HB2 LYS 121 1HB LYS 121 -17.455 -4.011 2.890 933 HB3 LYS 121 2HB LYS 121 -17.579 -5.427 4.044 934 HG2 LYS 121 1HG LYS 121 -15.541 -5.991 3.226 935 HG3 LYS 121 2HG LYS 121 -15.521 -4.652 2.091 936 HD2 LYS 121 1HD LYS 121 -14.127 -4.033 4.017 937 HD3 LYS 121 2HD LYS 121 -15.651 -3.144 3.701 938 HE2 LYS 121 1HE LYS 121 -15.416 -3.575 6.135 939 HE3 LYS 121 2HE LYS 121 -16.745 -4.337 5.190 940 HZ1 LYS 121 1HZ LYS 121 -14.279 -5.935 5.765 941 HZ2 LYS 121 2HZ LYS 121 -15.817 -6.491 5.431 942 HZ3 LYS 121 3HZ LYS 121 -15.496 -5.897 6.898 943 H ALA 122 H ALA 122 -19.366 -4.361 2.704 944 HA ALA 122 HA ALA 122 -21.138 -5.848 3.909 945 HB1 ALA 122 1HB ALA 122 -20.839 -3.617 3.920 946 HB2 ALA 122 2HB ALA 122 -22.589 -4.059 3.687 947 HB3 ALA 122 3HB ALA 122 -21.547 -3.522 2.297 948 H ARG 123 H ARG 123 -20.503 -5.822 0.490 949 HA ARG 123 HA ARG 123 -23.110 -6.431 -0.125 950 HB2 ARG 123 1HB ARG 123 -22.547 -5.549 -2.129 951 HB3 ARG 123 2HB ARG 123 -20.956 -5.320 -1.337 952 HG2 ARG 123 1HG ARG 123 -20.368 -7.534 -2.016 953 HG3 ARG 123 2HG ARG 123 -21.783 -7.612 -3.095 954 HD2 ARG 123 1HD ARG 123 -20.900 -5.442 -4.114 955 HD3 ARG 123 2HD ARG 123 -19.508 -5.777 -3.045 956 HE ARG 123 HE ARG 123 -19.737 -8.037 -4.444 957 HH11 ARG 123 1HH1 ARG 123 -19.404 -4.673 -5.469 958 HH12 ARG 123 2HH1 ARG 123 -18.568 -4.987 -6.912 959 HH21 ARG 123 1HH2 ARG 123 -18.560 -8.541 -6.470 960 HH22 ARG 123 2HH2 ARG 123 -18.070 -7.285 -7.500 961 H VAL 124 H VAL 124 -20.273 -7.626 0.657 962 HA VAL 124 HA VAL 124 -20.394 -9.991 -0.907 963 HB VAL 124 HB VAL 124 -18.385 -9.023 0.974 964 HG11 VAL 124 1HG1 VAL 124 -18.235 -11.321 0.927 965 HG12 VAL 124 2HG1 VAL 124 -16.881 -10.734 -0.114 966 HG13 VAL 124 3HG1 VAL 124 -18.411 -11.364 -0.833 967 HG21 VAL 124 1HG2 VAL 124 -17.005 -8.697 -1.060 968 HG22 VAL 124 2HG2 VAL 124 -18.400 -7.680 -0.743 969 HG23 VAL 124 3HG2 VAL 124 -18.517 -8.948 -1.995 970 H GLN 125 H GLN 125 -19.654 -9.000 2.038 971 HA GLN 125 HA GLN 125 -19.577 -9.695 4.111 972 HB2 GLN 125 1HB GLN 125 -20.986 -8.689 2.837 973 HB3 GLN 125 2HB GLN 125 -21.068 -8.159 4.015 974 HG2 GLN 125 1HG GLN 125 -23.222 -8.365 2.732 975 HG3 GLN 125 2HG GLN 125 -22.567 -9.944 2.241 976 HE21 GLN 125 1HE2 GLN 125 -25.447 -11.166 3.802 977 HE22 GLN 125 2HE2 GLN 125 -24.687 -10.727 2.304 978 H ALA 126 H ALA 126 -22.020 -10.959 5.282 979 HA ALA 126 HA ALA 126 -23.065 -12.790 5.795 980 HB1 ALA 126 1HB ALA 126 -23.044 -12.598 3.396 981 HB2 ALA 126 2HB ALA 126 -23.704 -14.062 4.216 982 HB3 ALA 126 3HB ALA 126 -22.078 -14.116 3.386 983 H GLN 127 H GLN 127 -20.181 -14.376 4.200 984 HA GLN 127 HA GLN 127 -19.871 -16.228 6.088 985 HB2 GLN 127 1HB GLN 127 -19.261 -15.529 3.522 986 HB3 GLN 127 2HB GLN 127 -17.732 -15.417 4.348 987 HG2 GLN 127 1HG GLN 127 -19.691 -17.539 4.437 988 HG3 GLN 127 2HG GLN 127 -18.317 -17.638 3.321 989 HE21 GLN 127 1HE2 GLN 127 -15.977 -18.613 5.789 990 HE22 GLN 127 2HE2 GLN 127 -16.222 -17.919 4.218 991 H ARG 128 H ARG 128 -18.295 -16.346 7.585 992 HA ARG 128 HA ARG 128 -17.557 -14.254 8.884 993 HB2 ARG 128 1HB ARG 128 -16.171 -16.920 8.905 994 HB3 ARG 128 2HB ARG 128 -15.763 -15.498 9.897 995 HG2 ARG 128 1HG ARG 128 -18.526 -16.400 9.831 996 HG3 ARG 128 2HG ARG 128 -17.394 -17.225 10.975 997 HD2 ARG 128 1HD ARG 128 -18.220 -14.413 10.610 998 HD3 ARG 128 2HD ARG 128 -18.622 -15.404 12.017 999 HE ARG 128 HE ARG 128 -16.250 -15.320 12.604 1000 HH11 ARG 128 1HH1 ARG 128 -17.395 -12.813 10.326 1001 HH12 ARG 128 2HH1 ARG 128 -16.189 -11.697 10.679 1002 HH21 ARG 128 1HH2 ARG 128 -14.547 -13.714 13.137 1003 HH22 ARG 128 2HH2 ARG 128 -14.528 -12.218 12.336 1004 H ALA 129 H ALA 129 -15.742 -15.986 6.476 1005 HA ALA 129 HA ALA 129 -13.605 -14.352 6.183 1006 HB1 ALA 129 1HB ALA 129 -15.035 -16.189 4.390 1007 HB2 ALA 129 2HB ALA 129 -13.581 -16.444 5.456 1008 HB3 ALA 129 3HB ALA 129 -13.488 -15.350 4.057 1009 H GLU 130 H GLU 130 -13.867 -12.310 5.407 1010 HA GLU 130 HA GLU 130 -15.369 -11.805 3.218 1011 HB2 GLU 130 1HB GLU 130 -16.943 -10.037 4.022 1012 HB3 GLU 130 2HB GLU 130 -17.275 -11.587 4.753 1013 HG2 GLU 130 1HG GLU 130 -17.549 -10.134 6.535 1014 HG3 GLU 130 2HG GLU 130 -15.872 -10.649 6.728 1015 H GLN 131 H GLN 131 -13.700 -10.362 5.940 1016 HA GLN 131 HA GLN 131 -12.371 -8.690 4.073 1017 HB2 GLN 131 1HB GLN 131 -10.833 -8.026 5.976 1018 HB3 GLN 131 2HB GLN 131 -12.521 -7.656 6.202 1019 HG2 GLN 131 1HG GLN 131 -11.435 -8.387 8.263 1020 HG3 GLN 131 2HG GLN 131 -12.725 -9.481 7.789 1021 HE21 GLN 131 1HE2 GLN 131 -8.809 -10.663 7.780 1022 HE22 GLN 131 2HE2 GLN 131 -9.229 -9.039 7.831 1023 H GLN 132 H GLN 132 -12.355 -11.685 4.260 1024 HA GLN 132 HA GLN 132 -9.576 -12.248 4.230 1025 HB2 GLN 132 1HB GLN 132 -11.998 -13.900 4.141 1026 HB3 GLN 132 2HB GLN 132 -10.389 -14.592 3.707 1027 HG2 GLN 132 1HG GLN 132 -11.285 -13.256 6.183 1028 HG3 GLN 132 2HG GLN 132 -10.914 -14.976 6.037 1029 HE21 GLN 132 1HE2 GLN 132 -7.963 -12.904 7.398 1030 HE22 GLN 132 2HE2 GLN 132 -9.659 -12.868 7.732 1031 H ALA 133 H ALA 133 -9.338 -10.791 2.340 1032 HA ALA 133 HA ALA 133 -9.081 -12.286 -0.058 1033 HB1 ALA 133 1HB ALA 133 -10.364 -10.709 -1.448 1034 HB2 ALA 133 2HB ALA 133 -10.950 -9.901 0.013 1035 HB3 ALA 133 3HB ALA 133 -11.400 -11.579 -0.318 Start of MODEL 3 1 H1 MET 1 1H MET 1 0.829 -9.994 12.153 2 H2 MET 1 2H MET 1 2.432 -10.580 12.440 3 H3 MET 1 3H MET 1 1.993 -9.031 12.878 4 HA MET 1 HA MET 1 0.722 -9.535 14.567 5 HB2 MET 1 1HB MET 1 0.235 -11.919 15.241 6 HB3 MET 1 2HB MET 1 -0.557 -11.404 13.771 7 HG2 MET 1 1HG MET 1 0.151 -13.625 13.405 8 HG3 MET 1 2HG MET 1 1.252 -12.607 12.492 9 HE1 MET 1 1HE MET 1 0.772 -14.959 15.597 10 HE2 MET 1 2HE MET 1 1.227 -13.454 16.400 11 HE3 MET 1 3HE MET 1 2.330 -14.827 16.412 12 H GLY 2 H GLY 2 3.546 -9.116 13.878 13 HA2 GLY 2 1HA GLY 2 5.353 -10.821 15.041 14 HA3 GLY 2 2HA GLY 2 5.564 -9.094 14.826 15 H SER 3 H SER 3 4.924 -11.643 16.980 16 HA SER 3 HA SER 3 4.241 -10.006 19.240 17 HB2 SER 3 1HB SER 3 4.915 -12.948 19.085 18 HB3 SER 3 2HB SER 3 4.072 -12.125 20.401 19 HG SER 3 HG SER 3 2.929 -11.716 17.928 20 H SER 4 H SER 4 6.996 -10.280 17.664 21 HA SER 4 HA SER 4 8.917 -10.935 19.578 22 HB2 SER 4 1HB SER 4 10.239 -9.525 17.735 23 HB3 SER 4 2HB SER 4 9.660 -11.162 17.402 24 HG SER 4 HG SER 4 8.744 -10.113 15.749 25 H HIS 5 H HIS 5 9.186 -9.773 21.350 26 HA HIS 5 HA HIS 5 8.238 -7.048 21.493 27 HB2 HIS 5 1HB HIS 5 9.130 -9.022 23.552 28 HB3 HIS 5 2HB HIS 5 9.027 -7.317 23.976 29 HD1 HIS 5 HD1 HIS 5 6.671 -9.947 22.365 30 HD2 HIS 5 HD2 HIS 5 6.572 -6.601 24.862 31 HE1 HIS 5 HE1 HIS 5 4.316 -9.734 23.104 32 HE2 HIS 5 HE2 HIS 5 4.227 -7.605 24.436 33 H HIS 6 H HIS 6 10.622 -7.595 19.943 34 HA HIS 6 HA HIS 6 12.108 -5.303 20.826 35 HB2 HIS 6 1HB HIS 6 13.508 -7.977 20.377 36 HB3 HIS 6 2HB HIS 6 14.346 -6.437 20.377 37 HD1 HIS 6 HD1 HIS 6 13.818 -9.205 22.493 38 HD2 HIS 6 HD2 HIS 6 13.776 -5.087 23.101 39 HE1 HIS 6 HE1 HIS 6 14.174 -8.881 24.961 40 HE2 HIS 6 HE2 HIS 6 14.000 -6.395 25.319 41 H HIS 7 H HIS 7 11.181 -4.340 19.023 42 HA HIS 7 HA HIS 7 11.641 -5.619 16.438 43 HB2 HIS 7 1HB HIS 7 9.879 -3.300 17.223 44 HB3 HIS 7 2HB HIS 7 10.193 -3.730 15.547 45 HD1 HIS 7 HD1 HIS 7 7.399 -3.892 17.242 46 HD2 HIS 7 HD2 HIS 7 9.839 -6.995 15.971 47 HE1 HIS 7 HE1 HIS 7 5.917 -5.907 17.105 48 HE2 HIS 7 HE2 HIS 7 7.391 -7.596 15.941 49 H HIS 8 H HIS 8 13.494 -5.264 15.617 50 HA HIS 8 HA HIS 8 14.187 -3.379 14.056 51 HB2 HIS 8 1HB HIS 8 15.922 -1.846 15.013 52 HB3 HIS 8 2HB HIS 8 14.335 -1.534 15.670 53 HD1 HIS 8 HD1 HIS 8 14.021 -1.973 18.146 54 HD2 HIS 8 HD2 HIS 8 17.894 -2.607 16.847 55 HE1 HIS 8 HE1 HIS 8 15.452 -1.987 20.262 56 HE2 HIS 8 HE2 HIS 8 17.818 -2.187 19.390 57 H HIS 9 H HIS 9 14.824 -5.277 13.148 58 HA HIS 9 HA HIS 9 17.544 -5.943 14.026 59 HB2 HIS 9 1HB HIS 9 15.822 -7.851 14.099 60 HB3 HIS 9 2HB HIS 9 15.856 -7.808 12.336 61 HD1 HIS 9 HD1 HIS 9 17.258 -9.858 11.639 62 HD2 HIS 9 HD2 HIS 9 18.908 -7.783 14.861 63 HE1 HIS 9 HE1 HIS 9 19.426 -10.955 12.099 64 HE2 HIS 9 HE2 HIS 9 20.516 -9.528 13.856 65 H HIS 10 H HIS 10 15.648 -4.655 11.591 66 HA HIS 10 HA HIS 10 18.073 -4.120 10.034 67 HB2 HIS 10 1HB HIS 10 17.016 -5.966 8.836 68 HB3 HIS 10 2HB HIS 10 15.467 -5.145 8.862 69 HD1 HIS 10 HD1 HIS 10 14.975 -4.669 6.561 70 HD2 HIS 10 HD2 HIS 10 18.941 -3.806 7.389 71 HE1 HIS 10 HE1 HIS 10 15.897 -3.634 4.432 72 HE2 HIS 10 HE2 HIS 10 18.212 -2.927 5.033 73 H SER 11 H SER 11 14.875 -3.269 11.057 74 HA SER 11 HA SER 11 15.197 -0.433 11.271 75 HB2 SER 11 1HB SER 11 13.364 -0.003 9.695 76 HB3 SER 11 2HB SER 11 14.952 -0.110 8.956 77 HG SER 11 HG SER 11 12.732 -1.761 8.588 78 H GLN 12 H GLN 12 12.445 -1.641 10.543 79 HA GLN 12 HA GLN 12 11.804 -1.414 13.393 80 HB2 GLN 12 1HB GLN 12 10.488 0.149 11.168 81 HB3 GLN 12 2HB GLN 12 10.102 0.191 12.894 82 HG2 GLN 12 1HG GLN 12 12.130 1.235 13.447 83 HG3 GLN 12 2HG GLN 12 12.872 0.905 11.883 84 HE21 GLN 12 1HE2 GLN 12 9.920 3.724 11.773 85 HE22 GLN 12 2HE2 GLN 12 9.615 2.130 12.402 86 H ASP 13 H ASP 13 12.084 -3.580 11.735 87 HA ASP 13 HA ASP 13 10.095 -4.400 10.274 88 HB2 ASP 13 1HB ASP 13 11.353 -6.535 10.855 89 HB3 ASP 13 2HB ASP 13 12.115 -5.314 9.871 90 HA PRO 14 HA PRO 14 7.150 -5.593 13.301 91 HB2 PRO 14 2HB PRO 14 5.435 -6.810 11.473 92 HB3 PRO 14 1HB PRO 14 5.551 -5.070 11.798 93 HG2 PRO 14 2HG PRO 14 6.212 -6.328 9.386 94 HG3 PRO 14 1HG PRO 14 6.604 -4.663 9.852 95 HD2 PRO 14 2HD PRO 14 8.281 -7.105 9.988 96 HD3 PRO 14 1HD PRO 14 8.761 -5.449 9.582 97 H MET 15 H MET 15 6.759 -8.430 11.111 98 HA MET 15 HA MET 15 6.169 -10.165 13.067 99 HB2 MET 15 1HB MET 15 7.141 -10.490 10.247 100 HB3 MET 15 2HB MET 15 6.868 -11.953 11.239 101 HG2 MET 15 1HG MET 15 5.123 -9.730 10.458 102 HG3 MET 15 2HG MET 15 5.310 -11.257 9.613 103 HE1 MET 15 1HE MET 15 3.848 -13.874 12.163 104 HE2 MET 15 2HE MET 15 5.524 -13.365 12.001 105 HE3 MET 15 3HE MET 15 4.537 -13.617 10.560 106 H GLU 16 H GLU 16 8.966 -10.064 11.141 107 HA GLU 16 HA GLU 16 10.997 -9.899 12.919 108 HB2 GLU 16 1HB GLU 16 12.054 -12.273 12.356 109 HB3 GLU 16 2HB GLU 16 10.935 -12.150 13.688 110 HG2 GLU 16 1HG GLU 16 10.617 -14.199 12.342 111 HG3 GLU 16 2HG GLU 16 9.183 -13.186 12.363 112 H ASN 17 H ASN 17 9.780 -11.198 9.948 113 HA ASN 17 HA ASN 17 9.966 -10.730 7.845 114 HB2 ASN 17 1HB ASN 17 9.638 -8.522 9.262 115 HB3 ASN 17 2HB ASN 17 11.186 -8.279 8.642 116 HD21 ASN 17 1HD2 ASN 17 10.051 -7.519 5.391 117 HD22 ASN 17 2HD2 ASN 17 11.425 -7.802 6.379 118 H GLN 18 H GLN 18 11.987 -12.117 8.911 119 HA GLN 18 HA GLN 18 14.487 -11.003 8.328 120 HB2 GLN 18 1HB GLN 18 13.285 -13.282 9.515 121 HB3 GLN 18 2HB GLN 18 14.859 -13.620 8.962 122 HG2 GLN 18 1HG GLN 18 13.765 -11.833 11.138 123 HG3 GLN 18 2HG GLN 18 15.165 -12.898 11.240 124 HE21 GLN 18 1HE2 GLN 18 15.508 -8.972 10.213 125 HE22 GLN 18 2HE2 GLN 18 14.010 -9.765 10.463 126 HA PRO 19 HA PRO 19 14.406 -14.262 4.635 127 HB2 PRO 19 2HB PRO 19 11.432 -14.530 4.739 128 HB3 PRO 19 1HB PRO 19 12.608 -15.746 4.120 129 HG2 PRO 19 2HG PRO 19 11.450 -16.049 6.429 130 HG3 PRO 19 1HG PRO 19 13.195 -16.346 6.280 131 HD2 PRO 19 2HD PRO 19 11.867 -14.018 7.635 132 HD3 PRO 19 1HD PRO 19 13.385 -14.842 7.925 133 H LYS 20 H LYS 20 14.896 -12.852 2.978 134 HA LYS 20 HA LYS 20 13.605 -10.673 2.467 135 HB2 LYS 20 1HB LYS 20 15.630 -12.308 1.184 136 HB3 LYS 20 2HB LYS 20 15.214 -10.688 0.703 137 HG2 LYS 20 1HG LYS 20 16.238 -11.532 3.361 138 HG3 LYS 20 2HG LYS 20 17.129 -10.527 2.213 139 HD2 LYS 20 1HD LYS 20 16.204 -8.673 3.456 140 HD3 LYS 20 2HD LYS 20 14.887 -9.372 2.450 141 HE2 LYS 20 1HE LYS 20 13.610 -9.979 4.068 142 HE3 LYS 20 2HE LYS 20 14.879 -10.649 5.061 143 HZ1 LYS 20 1HZ LYS 20 15.146 -8.175 5.813 144 HZ2 LYS 20 2HZ LYS 20 13.716 -8.945 6.171 145 HZ3 LYS 20 3HZ LYS 20 13.706 -7.835 4.975 146 H LEU 21 H LEU 21 13.610 -10.102 -0.069 147 HA LEU 21 HA LEU 21 10.985 -10.214 -0.270 148 HB2 LEU 21 1HB LEU 21 13.216 -9.270 -1.878 149 HB3 LEU 21 2HB LEU 21 11.707 -8.525 -2.041 150 HG LEU 21 HG LEU 21 13.879 -8.186 -0.394 151 HD11 LEU 21 1HD1 LEU 21 13.043 -6.094 -0.321 152 HD12 LEU 21 2HD1 LEU 21 11.476 -6.875 -0.248 153 HD13 LEU 21 3HD1 LEU 21 12.438 -6.878 -1.869 154 HD21 LEU 21 1HD2 LEU 21 11.266 -8.145 0.576 155 HD22 LEU 21 2HD2 LEU 21 12.722 -7.395 1.463 156 HD23 LEU 21 3HD2 LEU 21 12.551 -9.204 1.241 157 H ASN 22 H ASN 22 13.350 -10.901 -2.776 158 HA ASN 22 HA ASN 22 13.557 -12.427 -4.376 159 HB2 ASN 22 1HB ASN 22 11.633 -13.644 -2.557 160 HB3 ASN 22 2HB ASN 22 12.521 -14.661 -3.725 161 HD21 ASN 22 1HD2 ASN 22 13.836 -14.458 -0.370 162 HD22 ASN 22 2HD2 ASN 22 12.239 -14.674 -0.949 163 H SER 23 H SER 23 11.306 -10.486 -4.110 164 HA SER 23 HA SER 23 10.128 -9.455 -5.695 165 HB2 SER 23 1HB SER 23 10.964 -10.638 -7.599 166 HB3 SER 23 2HB SER 23 9.965 -12.057 -7.245 167 HG SER 23 HG SER 23 8.787 -11.049 -8.692 168 H SER 24 H SER 24 8.395 -8.642 -5.468 169 HA SER 24 HA SER 24 6.406 -8.136 -5.083 170 HB2 SER 24 1HB SER 24 5.668 -10.975 -5.724 171 HB3 SER 24 2HB SER 24 4.581 -9.581 -5.733 172 HG SER 24 HG SER 24 6.907 -9.900 -7.305 173 H LYS 25 H LYS 25 5.861 -11.370 -3.419 174 HA LYS 25 HA LYS 25 4.133 -10.246 -1.657 175 HB2 LYS 25 1HB LYS 25 4.074 -12.399 -2.391 176 HB3 LYS 25 2HB LYS 25 5.729 -12.671 -1.995 177 HG2 LYS 25 1HG LYS 25 5.420 -13.096 0.008 178 HG3 LYS 25 2HG LYS 25 4.355 -11.704 0.210 179 HD2 LYS 25 1HD LYS 25 3.163 -13.734 0.737 180 HD3 LYS 25 2HD LYS 25 2.662 -12.935 -0.794 181 HE2 LYS 25 1HE LYS 25 2.920 -15.467 -1.115 182 HE3 LYS 25 2HE LYS 25 3.853 -14.295 -2.089 183 HZ1 LYS 25 1HZ LYS 25 5.840 -14.773 -0.962 184 HZ2 LYS 25 2HZ LYS 25 5.250 -16.300 -1.196 185 HZ3 LYS 25 3HZ LYS 25 5.134 -15.537 0.301 186 H GLU 26 H GLU 26 7.132 -11.769 -1.095 187 HA GLU 26 HA GLU 26 6.992 -10.649 1.352 188 HB2 GLU 26 1HB GLU 26 9.589 -11.683 1.572 189 HB3 GLU 26 2HB GLU 26 8.095 -12.443 2.061 190 HG2 GLU 26 1HG GLU 26 9.334 -12.779 -0.671 191 HG3 GLU 26 2HG GLU 26 9.652 -13.850 0.687 192 H VAL 27 H VAL 27 7.776 -8.992 -1.137 193 HA VAL 27 HA VAL 27 9.729 -7.210 0.208 194 HB VAL 27 HB VAL 27 10.381 -6.487 -1.720 195 HG11 VAL 27 1HG1 VAL 27 8.499 -8.236 -2.988 196 HG12 VAL 27 2HG1 VAL 27 9.950 -8.685 -1.974 197 HG13 VAL 27 3HG1 VAL 27 10.188 -7.716 -3.511 198 HG21 VAL 27 1HG2 VAL 27 7.592 -6.272 -2.570 199 HG22 VAL 27 2HG2 VAL 27 9.033 -5.462 -3.320 200 HG23 VAL 27 3HG2 VAL 27 8.529 -5.135 -1.606 201 H ILE 28 H ILE 28 6.198 -7.548 -0.266 202 HA ILE 28 HA ILE 28 5.648 -5.000 0.469 203 HB ILE 28 HB ILE 28 4.571 -7.666 1.060 204 HG12 ILE 28 1HG1 ILE 28 3.537 -7.362 -1.104 205 HG13 ILE 28 2HG1 ILE 28 2.771 -6.394 0.011 206 HG21 ILE 28 1HG2 ILE 28 2.449 -6.615 1.980 207 HG22 ILE 28 2HG2 ILE 28 3.189 -5.039 1.849 208 HG23 ILE 28 3HG2 ILE 28 3.861 -6.232 2.969 209 HD11 ILE 28 1HD1 ILE 28 3.698 -4.333 -0.463 210 HD12 ILE 28 2HD1 ILE 28 3.522 -5.174 -2.061 211 HD13 ILE 28 3HD1 ILE 28 5.049 -5.194 -1.188 212 H ALA 29 H ALA 29 6.414 -7.870 2.019 213 HA ALA 29 HA ALA 29 6.409 -7.096 4.467 214 HB1 ALA 29 1HB ALA 29 6.523 -9.259 3.909 215 HB2 ALA 29 2HB ALA 29 8.068 -8.930 4.804 216 HB3 ALA 29 3HB ALA 29 7.991 -8.959 2.994 217 H PHE 30 H PHE 30 9.188 -6.766 2.177 218 HA PHE 30 HA PHE 30 10.915 -5.702 4.066 219 HB2 PHE 30 2HB PHE 30 12.092 -6.017 2.334 220 HB3 PHE 30 1HB PHE 30 10.670 -5.919 1.236 221 HD1 PHE 30 1HD PHE 30 13.044 -3.830 3.222 222 HD2 PHE 30 2HD PHE 30 10.507 -4.232 -0.191 223 HE1 PHE 30 1HE PHE 30 13.822 -1.722 2.389 224 HE2 PHE 30 2HE PHE 30 11.284 -2.171 -0.968 225 HZ PHE 30 HZ PHE 30 12.953 -0.884 0.304 226 H LEU 31 H LEU 31 8.627 -4.406 1.781 227 HA LEU 31 HA LEU 31 9.017 -1.779 2.031 228 HB2 LEU 31 1HB LEU 31 6.869 -3.597 1.440 229 HB3 LEU 31 2HB LEU 31 6.322 -1.935 1.412 230 HG LEU 31 HG LEU 31 8.284 -3.409 -0.195 231 HD11 LEU 31 1HD1 LEU 31 7.087 -2.913 -1.861 232 HD12 LEU 31 2HD1 LEU 31 6.417 -1.392 -1.298 233 HD13 LEU 31 3HD1 LEU 31 5.779 -2.985 -0.652 234 HD21 LEU 31 1HD2 LEU 31 8.805 -1.104 -1.183 235 HD22 LEU 31 2HD2 LEU 31 9.597 -1.767 0.217 236 HD23 LEU 31 3HD2 LEU 31 8.303 -0.534 0.443 237 H ALA 32 H ALA 32 7.280 -3.987 3.869 238 HA ALA 32 HA ALA 32 6.021 -2.079 5.625 239 HB1 ALA 32 1HB ALA 32 5.170 -4.143 4.794 240 HB2 ALA 32 2HB ALA 32 5.006 -3.873 6.506 241 HB3 ALA 32 3HB ALA 32 6.330 -4.974 5.845 242 H GLU 33 H GLU 33 8.962 -3.943 5.728 243 HA GLU 33 HA GLU 33 9.109 -3.742 8.509 244 HB2 GLU 33 1HB GLU 33 11.018 -5.143 8.336 245 HB3 GLU 33 2HB GLU 33 9.812 -5.270 7.015 246 HG2 GLU 33 1HG GLU 33 11.036 -4.382 5.474 247 HG3 GLU 33 2HG GLU 33 12.082 -3.522 6.515 248 H ARG 34 H ARG 34 9.886 -2.224 5.879 249 HA ARG 34 HA ARG 34 11.826 -0.314 6.736 250 HB2 ARG 34 1HB ARG 34 11.432 -1.784 4.637 251 HB3 ARG 34 2HB ARG 34 10.543 -0.452 4.020 252 HG2 ARG 34 1HG ARG 34 12.696 -0.186 3.282 253 HG3 ARG 34 2HG ARG 34 12.436 0.819 4.791 254 HD2 ARG 34 1HD ARG 34 13.547 -0.694 6.177 255 HD3 ARG 34 2HD ARG 34 13.530 -1.853 4.849 256 HE ARG 34 HE ARG 34 15.051 -0.179 3.774 257 HH11 ARG 34 1HH1 ARG 34 15.032 -1.059 7.214 258 HH12 ARG 34 2HH1 ARG 34 16.617 -0.576 7.555 259 HH21 ARG 34 1HH2 ARG 34 17.226 0.454 4.179 260 HH22 ARG 34 2HH2 ARG 34 17.977 0.408 5.715 261 H PHE 35 H PHE 35 8.419 -0.299 5.423 262 HA PHE 35 HA PHE 35 8.096 2.410 6.388 263 HB2 PHE 35 2HB PHE 35 7.308 0.615 4.419 264 HB3 PHE 35 1HB PHE 35 6.105 1.778 4.513 265 HD1 PHE 35 1HD PHE 35 8.202 4.186 4.693 266 HD2 PHE 35 2HD PHE 35 8.161 0.534 2.570 267 HE1 PHE 35 1HE PHE 35 9.810 5.082 3.088 268 HE2 PHE 35 2HE PHE 35 9.653 1.323 1.048 269 HZ PHE 35 HZ PHE 35 10.593 3.604 1.183 270 HA PRO 36 HA PRO 36 5.305 -0.496 9.224 271 HB2 PRO 36 2HB PRO 36 5.951 1.756 10.984 272 HB3 PRO 36 1HB PRO 36 6.081 -0.001 11.308 273 HG2 PRO 36 2HG PRO 36 8.095 1.869 10.671 274 HG3 PRO 36 1HG PRO 36 8.247 0.134 10.979 275 HD2 PRO 36 2HD PRO 36 8.740 1.336 8.594 276 HD3 PRO 36 1HD PRO 36 8.364 -0.367 8.817 277 H HIS 37 H HIS 37 5.178 2.666 7.824 278 HA HIS 37 HA HIS 37 2.524 3.007 8.965 279 HB2 HIS 37 1HB HIS 37 2.741 5.376 7.841 280 HB3 HIS 37 2HB HIS 37 3.338 5.163 9.514 281 HD1 HIS 37 HD1 HIS 37 5.684 6.133 9.700 282 HD2 HIS 37 HD2 HIS 37 4.579 5.189 5.830 283 HE1 HIS 37 HE1 HIS 37 7.592 6.929 8.281 284 HE2 HIS 37 HE2 HIS 37 6.713 6.688 5.937 285 H CYS 38 H CYS 38 4.183 3.108 5.850 286 HA CYS 38 HA CYS 38 2.010 3.264 4.325 287 HB2 CYS 38 2HB CYS 38 4.532 1.766 3.599 288 HB3 CYS 38 1HB CYS 38 3.517 2.839 2.653 289 HG CYS 38 HG CYS 38 6.144 3.675 3.614 290 H PHE 39 H PHE 39 3.992 0.452 5.330 291 HA PHE 39 HA PHE 39 2.135 -1.305 4.063 292 HB2 PHE 39 2HB PHE 39 4.868 -0.806 4.559 293 HB3 PHE 39 1HB PHE 39 4.745 -2.390 4.160 294 HD1 PHE 39 1HD PHE 39 2.647 -2.074 1.955 295 HD2 PHE 39 2HD PHE 39 6.026 0.123 3.153 296 HE1 PHE 39 1HE PHE 39 2.912 -1.215 -0.306 297 HE2 PHE 39 2HE PHE 39 6.345 0.950 1.193 298 HZ PHE 39 HZ PHE 39 4.739 0.375 -0.795 299 H SER 40 H SER 40 2.384 -3.544 5.051 300 HA SER 40 HA SER 40 2.149 -3.557 8.052 301 HB2 SER 40 1HB SER 40 0.827 -5.073 5.931 302 HB3 SER 40 2HB SER 40 0.722 -5.373 7.673 303 HG SER 40 HG SER 40 0.221 -2.780 7.042 304 H ALA 41 H ALA 41 1.928 -6.423 6.363 305 HA ALA 41 HA ALA 41 3.500 -7.963 5.553 306 HB1 ALA 41 1HB ALA 41 5.746 -7.998 6.741 307 HB2 ALA 41 2HB ALA 41 4.987 -6.552 7.575 308 HB3 ALA 41 3HB ALA 41 5.211 -6.517 5.829 309 H GLU 42 H GLU 42 2.951 -6.676 8.493 310 HA GLU 42 HA GLU 42 2.410 -8.643 10.336 311 HB2 GLU 42 1HB GLU 42 1.556 -6.206 9.422 312 HB3 GLU 42 2HB GLU 42 0.632 -6.795 10.623 313 HG2 GLU 42 1HG GLU 42 3.545 -6.248 10.585 314 HG3 GLU 42 2HG GLU 42 2.422 -5.355 11.642 315 H GLY 43 H GLY 43 0.946 -7.037 8.065 316 HA2 GLY 43 1HA GLY 43 -1.402 -8.531 8.394 317 HA3 GLY 43 2HA GLY 43 -1.557 -6.831 8.004 318 H GLU 44 H GLU 44 -2.724 -8.934 6.471 319 HA GLU 44 HA GLU 44 -1.824 -9.765 4.140 320 HB2 GLU 44 1HB GLU 44 -4.154 -9.698 5.263 321 HB3 GLU 44 2HB GLU 44 -4.293 -8.159 4.440 322 HG2 GLU 44 1HG GLU 44 -4.016 -9.198 2.364 323 HG3 GLU 44 2HG GLU 44 -4.007 -10.804 3.131 324 H ALA 45 H ALA 45 -3.511 -6.650 4.517 325 HA ALA 45 HA ALA 45 -1.466 -5.164 3.334 326 HB1 ALA 45 1HB ALA 45 -4.025 -5.774 1.889 327 HB2 ALA 45 2HB ALA 45 -2.347 -6.025 1.328 328 HB3 ALA 45 3HB ALA 45 -2.979 -4.378 1.512 329 H ARG 46 H ARG 46 -2.929 -2.957 2.813 330 HA ARG 46 HA ARG 46 -4.942 -2.403 4.682 331 HB2 ARG 46 1HB ARG 46 -2.518 -2.511 5.876 332 HB3 ARG 46 2HB ARG 46 -2.355 -0.937 5.119 333 HG2 ARG 46 1HG ARG 46 -4.755 -0.638 6.328 334 HG3 ARG 46 2HG ARG 46 -3.983 -1.787 7.403 335 HD2 ARG 46 1HD ARG 46 -3.539 0.532 8.054 336 HD3 ARG 46 2HD ARG 46 -2.070 -0.372 7.668 337 HE ARG 46 HE ARG 46 -3.155 1.056 5.425 338 HH11 ARG 46 1HH1 ARG 46 -1.061 1.350 8.251 339 HH12 ARG 46 2HH1 ARG 46 -0.085 2.542 7.498 340 HH21 ARG 46 1HH2 ARG 46 -1.838 2.690 4.467 341 HH22 ARG 46 2HH2 ARG 46 -0.541 3.333 5.366 342 HA PRO 47 HA PRO 47 -5.142 0.598 1.398 343 HB2 PRO 47 2HB PRO 47 -5.367 2.935 3.241 344 HB3 PRO 47 1HB PRO 47 -6.540 2.412 1.993 345 HG2 PRO 47 2HG PRO 47 -7.055 2.045 4.536 346 HG3 PRO 47 1HG PRO 47 -7.493 0.838 3.309 347 HD2 PRO 47 2HD PRO 47 -5.273 0.828 5.260 348 HD3 PRO 47 1HD PRO 47 -6.312 -0.527 4.741 349 H LEU 48 H LEU 48 -3.700 1.379 0.115 350 HA LEU 48 HA LEU 48 -1.368 2.892 0.925 351 HB2 LEU 48 1HB LEU 48 -0.389 0.813 0.970 352 HB3 LEU 48 2HB LEU 48 -1.490 0.039 -0.120 353 HG LEU 48 HG LEU 48 -0.367 1.628 -1.755 354 HD11 LEU 48 1HD1 LEU 48 1.483 0.956 0.395 355 HD12 LEU 48 2HD1 LEU 48 1.278 2.648 -0.273 356 HD13 LEU 48 3HD1 LEU 48 2.081 1.324 -1.183 357 HD21 LEU 48 1HD2 LEU 48 1.110 -0.038 -2.437 358 HD22 LEU 48 2HD2 LEU 48 -0.407 -0.797 -1.886 359 HD23 LEU 48 3HD2 LEU 48 1.027 -0.736 -0.839 360 H LYS 49 H LYS 49 -0.373 3.606 -1.469 361 HA LYS 49 HA LYS 49 -2.646 3.999 -3.233 362 HB2 LYS 49 1HB LYS 49 -0.511 5.726 -2.467 363 HB3 LYS 49 2HB LYS 49 -0.193 5.294 -4.054 364 HG2 LYS 49 1HG LYS 49 -2.886 6.439 -3.330 365 HG3 LYS 49 2HG LYS 49 -1.563 7.274 -4.136 366 HD2 LYS 49 1HD LYS 49 -1.723 5.648 -6.006 367 HD3 LYS 49 2HD LYS 49 -3.136 4.932 -5.226 368 HE2 LYS 49 1HE LYS 49 -2.890 7.801 -6.172 369 HE3 LYS 49 2HE LYS 49 -3.724 6.517 -7.035 370 HZ1 LYS 49 1HZ LYS 49 -5.400 6.459 -5.186 371 HZ2 LYS 49 2HZ LYS 49 -5.140 8.062 -5.710 372 HZ3 LYS 49 3HZ LYS 49 -4.443 7.598 -4.369 373 H ILE 50 H ILE 50 -1.217 4.059 -5.511 374 HA ILE 50 HA ILE 50 0.723 1.878 -5.434 375 HB ILE 50 HB ILE 50 -1.531 2.214 -7.244 376 HG12 ILE 50 1HG1 ILE 50 0.190 -0.094 -6.349 377 HG13 ILE 50 2HG1 ILE 50 -1.124 0.608 -5.411 378 HG21 ILE 50 1HG2 ILE 50 0.421 2.733 -8.625 379 HG22 ILE 50 2HG2 ILE 50 -0.238 1.110 -9.099 380 HG23 ILE 50 3HG2 ILE 50 1.165 1.297 -7.966 381 HD11 ILE 50 1HD1 ILE 50 -1.461 -0.469 -8.132 382 HD12 ILE 50 2HD1 ILE 50 -2.670 -0.066 -6.874 383 HD13 ILE 50 3HD1 ILE 50 -1.534 -1.467 -6.662 384 H GLY 51 H GLY 51 0.185 4.922 -6.549 385 HA2 GLY 51 1HA GLY 51 2.570 5.091 -8.136 386 HA3 GLY 51 2HA GLY 51 1.644 6.456 -7.527 387 H ILE 52 H ILE 52 2.010 5.295 -4.573 388 HA ILE 52 HA ILE 52 4.187 6.140 -3.507 389 HB ILE 52 HB ILE 52 2.649 4.961 -2.157 390 HG12 ILE 52 1HG1 ILE 52 5.162 3.637 -2.751 391 HG13 ILE 52 2HG1 ILE 52 4.842 4.789 -1.564 392 HG21 ILE 52 1HG2 ILE 52 3.173 2.645 -4.021 393 HG22 ILE 52 2HG2 ILE 52 1.583 3.461 -3.823 394 HG23 ILE 52 3HG2 ILE 52 2.341 2.558 -2.479 395 HD11 ILE 52 1HD1 ILE 52 3.537 2.166 -1.816 396 HD12 ILE 52 2HD1 ILE 52 3.739 3.061 -0.260 397 HD13 ILE 52 3HD1 ILE 52 5.103 2.316 -1.217 398 H PHE 53 H PHE 53 3.952 3.250 -5.595 399 HA PHE 53 HA PHE 53 6.029 1.816 -4.794 400 HB2 PHE 53 2HB PHE 53 4.726 1.045 -6.312 401 HB3 PHE 53 1HB PHE 53 4.743 2.438 -7.365 402 HD1 PHE 53 1HD PHE 53 6.433 2.476 -9.150 403 HD2 PHE 53 2HD PHE 53 6.621 0.012 -5.883 404 HE1 PHE 53 1HE PHE 53 8.451 1.263 -10.175 405 HE2 PHE 53 2HE PHE 53 8.289 -1.266 -6.832 406 HZ PHE 53 HZ PHE 53 9.319 -0.738 -8.870 407 H GLN 54 H GLN 54 5.969 4.345 -6.998 408 HA GLN 54 HA GLN 54 8.573 4.772 -7.897 409 HB2 GLN 54 1HB GLN 54 6.425 5.596 -8.649 410 HB3 GLN 54 2HB GLN 54 6.271 5.921 -7.076 411 HG2 GLN 54 1HG GLN 54 8.185 7.431 -7.516 412 HG3 GLN 54 2HG GLN 54 6.983 8.214 -8.741 413 HE21 GLN 54 1HE2 GLN 54 7.227 7.568 -5.060 414 HE22 GLN 54 2HE2 GLN 54 5.829 6.771 -5.629 415 H ASP 55 H ASP 55 7.351 5.235 -5.047 416 HA ASP 55 HA ASP 55 9.127 7.294 -4.291 417 HB2 ASP 55 1HB ASP 55 6.425 6.799 -3.345 418 HB3 ASP 55 2HB ASP 55 7.374 6.156 -2.426 419 H LEU 56 H LEU 56 7.936 4.386 -3.421 420 HA LEU 56 HA LEU 56 9.456 3.340 -1.400 421 HB2 LEU 56 1HB LEU 56 8.190 2.620 -3.953 422 HB3 LEU 56 2HB LEU 56 8.130 3.017 -2.319 423 HG LEU 56 HG LEU 56 8.658 0.430 -2.515 424 HD11 LEU 56 1HD1 LEU 56 8.518 2.127 -0.486 425 HD12 LEU 56 2HD1 LEU 56 7.328 0.779 -0.605 426 HD13 LEU 56 3HD1 LEU 56 6.932 2.371 -1.291 427 HD21 LEU 56 1HD2 LEU 56 6.619 2.224 -3.045 428 HD22 LEU 56 2HD2 LEU 56 6.283 0.751 -2.176 429 HD23 LEU 56 3HD2 LEU 56 6.956 0.635 -3.879 430 H VAL 57 H VAL 57 9.684 3.356 -4.671 431 HA VAL 57 HA VAL 57 11.980 2.087 -4.723 432 HB VAL 57 HB VAL 57 12.217 2.498 -7.155 433 HG11 VAL 57 1HG1 VAL 57 9.456 2.401 -6.835 434 HG12 VAL 57 2HG1 VAL 57 10.221 1.648 -5.497 435 HG13 VAL 57 3HG1 VAL 57 10.631 1.008 -7.186 436 HG21 VAL 57 1HG2 VAL 57 11.737 4.784 -7.104 437 HG22 VAL 57 2HG2 VAL 57 10.103 4.532 -6.543 438 HG23 VAL 57 3HG2 VAL 57 10.597 3.897 -8.163 439 H ASP 58 H ASP 58 11.474 5.489 -4.616 440 HA ASP 58 HA ASP 58 13.685 6.772 -5.132 441 HB2 ASP 58 1HB ASP 58 11.567 7.174 -3.488 442 HB3 ASP 58 2HB ASP 58 12.743 6.674 -2.488 443 H ARG 59 H ARG 59 12.811 4.836 -2.495 444 HA ARG 59 HA ARG 59 15.076 4.962 -0.832 445 HB2 ARG 59 1HB ARG 59 12.399 4.546 -0.833 446 HB3 ARG 59 2HB ARG 59 13.138 3.673 0.564 447 HG2 ARG 59 1HG ARG 59 12.997 5.723 1.662 448 HG3 ARG 59 2HG ARG 59 13.762 6.551 0.296 449 HD2 ARG 59 1HD ARG 59 11.716 6.718 -0.864 450 HD3 ARG 59 2HD ARG 59 10.873 5.655 0.231 451 HE ARG 59 HE ARG 59 11.321 7.546 1.876 452 HH11 ARG 59 1HH1 ARG 59 11.375 8.447 -1.476 453 HH12 ARG 59 2HH1 ARG 59 9.935 9.357 -1.486 454 HH21 ARG 59 1HH2 ARG 59 9.362 9.142 2.001 455 HH22 ARG 59 2HH2 ARG 59 8.856 9.778 0.492 456 H VAL 60 H VAL 60 12.568 2.522 -1.804 457 HA VAL 60 HA VAL 60 13.623 0.533 -0.364 458 HB VAL 60 HB VAL 60 11.970 -0.708 -1.673 459 HG11 VAL 60 1HG1 VAL 60 10.315 1.053 -1.669 460 HG12 VAL 60 2HG1 VAL 60 11.498 2.008 -0.659 461 HG13 VAL 60 3HG1 VAL 60 10.844 0.387 -0.061 462 HG21 VAL 60 1HG2 VAL 60 11.893 -0.127 -3.713 463 HG22 VAL 60 2HG2 VAL 60 12.364 1.467 -3.167 464 HG23 VAL 60 3HG2 VAL 60 10.667 1.045 -3.064 465 H ALA 61 H ALA 61 14.037 1.290 -3.508 466 HA ALA 61 HA ALA 61 13.613 -0.991 -4.777 467 HB1 ALA 61 1HB ALA 61 14.208 -0.125 -6.539 468 HB2 ALA 61 2HB ALA 61 15.041 1.232 -5.622 469 HB3 ALA 61 3HB ALA 61 13.229 0.877 -5.437 470 H GLY 62 H GLY 62 16.541 -0.383 -3.731 471 HA2 GLY 62 1HA GLY 62 16.868 -3.029 -4.648 472 HA3 GLY 62 2HA GLY 62 18.071 -1.932 -5.223 473 H GLU 63 H GLU 63 16.763 -1.632 -2.253 474 HA GLU 63 HA GLU 63 19.073 -1.446 -0.707 475 HB2 GLU 63 1HB GLU 63 16.344 -2.287 0.086 476 HB3 GLU 63 2HB GLU 63 17.616 -2.160 1.272 477 HG2 GLU 63 1HG GLU 63 17.863 0.255 0.236 478 HG3 GLU 63 2HG GLU 63 16.227 -0.060 -0.351 479 H MET 64 H MET 64 16.961 -4.227 -0.238 480 HA MET 64 HA MET 64 19.285 -5.859 0.298 481 HB2 MET 64 1HB MET 64 16.580 -6.801 0.038 482 HB3 MET 64 2HB MET 64 17.907 -7.692 0.691 483 HG2 MET 64 1HG MET 64 16.323 -7.170 2.127 484 HG3 MET 64 2HG MET 64 17.819 -6.376 2.727 485 HE1 MET 64 1HE MET 64 15.227 -5.478 -0.066 486 HE2 MET 64 2HE MET 64 14.192 -4.274 0.746 487 HE3 MET 64 3HE MET 64 14.113 -5.921 1.249 488 H ASN 65 H ASN 65 16.596 -5.749 -1.602 489 HA ASN 65 HA ASN 65 17.741 -6.871 -3.741 490 HB2 ASN 65 1HB ASN 65 16.845 -9.039 -3.651 491 HB3 ASN 65 2HB ASN 65 17.705 -8.687 -2.088 492 HD21 ASN 65 1HD2 ASN 65 15.219 -9.561 -0.321 493 HD22 ASN 65 2HD2 ASN 65 16.747 -8.872 -0.351 494 H LEU 66 H LEU 66 16.564 -4.963 -4.429 495 HA LEU 66 HA LEU 66 14.031 -5.758 -5.653 496 HB2 LEU 66 1HB LEU 66 14.847 -3.754 -3.880 497 HB3 LEU 66 2HB LEU 66 13.869 -3.001 -5.123 498 HG LEU 66 HG LEU 66 13.518 -4.491 -2.617 499 HD11 LEU 66 1HD1 LEU 66 11.454 -3.142 -2.557 500 HD12 LEU 66 2HD1 LEU 66 12.075 -2.347 -4.079 501 HD13 LEU 66 3HD1 LEU 66 12.982 -2.274 -2.617 502 HD21 LEU 66 1HD2 LEU 66 12.975 -5.886 -4.099 503 HD22 LEU 66 2HD2 LEU 66 11.655 -4.987 -4.902 504 HD23 LEU 66 3HD2 LEU 66 11.458 -5.637 -3.205 505 H SER 67 H SER 67 13.686 -5.004 -7.417 506 HA SER 67 HA SER 67 15.843 -3.691 -8.869 507 HB2 SER 67 1HB SER 67 15.757 -6.092 -9.048 508 HB3 SER 67 2HB SER 67 14.082 -6.030 -9.493 509 HG SER 67 HG SER 67 15.933 -6.125 -11.219 510 H LYS 68 H LYS 68 13.480 -2.599 -7.537 511 HA LYS 68 HA LYS 68 11.504 -1.529 -7.612 512 HB2 LYS 68 1HB LYS 68 11.326 -0.824 -10.300 513 HB3 LYS 68 2HB LYS 68 11.347 0.251 -8.958 514 HG2 LYS 68 1HG LYS 68 13.685 -0.679 -10.622 515 HG3 LYS 68 2HG LYS 68 13.117 0.982 -10.359 516 HD2 LYS 68 1HD LYS 68 14.035 0.955 -8.054 517 HD3 LYS 68 2HD LYS 68 13.433 -0.609 -8.247 518 HE2 LYS 68 1HE LYS 68 16.060 -0.322 -8.039 519 HE3 LYS 68 2HE LYS 68 15.399 -1.520 -9.146 520 HZ1 LYS 68 1HZ LYS 68 16.295 1.211 -9.903 521 HZ2 LYS 68 2HZ LYS 68 15.682 0.035 -10.958 522 HZ3 LYS 68 3HZ LYS 68 17.152 -0.225 -10.171 523 H THR 69 H THR 69 11.745 -3.739 -10.424 524 HA THR 69 HA THR 69 9.009 -3.386 -10.756 525 HB THR 69 HB THR 69 9.201 -4.820 -12.310 526 HG1 THR 69 1HG THR 69 11.651 -5.658 -12.750 527 HG21 THR 69 1HG2 THR 69 9.909 -2.642 -12.902 528 HG22 THR 69 2HG2 THR 69 11.041 -3.731 -13.761 529 HG23 THR 69 3HG2 THR 69 11.489 -3.002 -12.198 530 H GLN 70 H GLN 70 11.170 -5.574 -9.377 531 HA GLN 70 HA GLN 70 9.235 -7.616 -8.724 532 HB2 GLN 70 1HB GLN 70 10.977 -8.481 -7.166 533 HB3 GLN 70 2HB GLN 70 11.682 -8.197 -8.724 534 HG2 GLN 70 1HG GLN 70 12.576 -6.167 -8.037 535 HG3 GLN 70 2HG GLN 70 11.600 -6.445 -6.574 536 HE21 GLN 70 1HE2 GLN 70 13.623 -8.293 -4.953 537 HE22 GLN 70 2HE2 GLN 70 12.077 -7.585 -5.105 538 H LEU 71 H LEU 71 9.698 -4.575 -7.686 539 HA LEU 71 HA LEU 71 8.385 -4.824 -5.057 540 HB2 LEU 71 1HB LEU 71 10.548 -3.509 -5.642 541 HB3 LEU 71 2HB LEU 71 9.622 -2.436 -6.473 542 HG LEU 71 HG LEU 71 10.268 -2.615 -3.833 543 HD11 LEU 71 1HD1 LEU 71 9.747 -0.371 -3.704 544 HD12 LEU 71 2HD1 LEU 71 8.745 -0.498 -5.183 545 HD13 LEU 71 3HD1 LEU 71 10.506 -0.691 -5.250 546 HD21 LEU 71 1HD2 LEU 71 7.435 -2.677 -4.367 547 HD22 LEU 71 2HD2 LEU 71 8.093 -1.749 -3.019 548 HD23 LEU 71 3HD2 LEU 71 8.391 -3.510 -3.134 549 H ARG 72 H ARG 72 8.056 -3.344 -8.254 550 HA ARG 72 HA ARG 72 5.782 -1.930 -7.514 551 HB2 ARG 72 1HB ARG 72 5.465 -1.526 -10.022 552 HB3 ARG 72 2HB ARG 72 7.161 -1.463 -9.513 553 HG2 ARG 72 1HG ARG 72 7.372 -2.600 -11.341 554 HG3 ARG 72 2HG ARG 72 7.257 -3.739 -9.924 555 HD2 ARG 72 1HD ARG 72 5.903 -4.734 -11.706 556 HD3 ARG 72 2HD ARG 72 4.921 -3.906 -10.452 557 HE ARG 72 HE ARG 72 4.911 -1.980 -12.069 558 HH11 ARG 72 1HH1 ARG 72 4.774 -5.374 -13.114 559 HH12 ARG 72 2HH1 ARG 72 4.071 -5.069 -14.623 560 HH21 ARG 72 1HH2 ARG 72 3.914 -1.517 -14.198 561 HH22 ARG 72 2HH2 ARG 72 3.567 -2.789 -15.263 562 H SER 73 H SER 73 6.357 -5.061 -8.286 563 HA SER 73 HA SER 73 3.799 -5.807 -9.054 564 HB2 SER 73 1HB SER 73 5.540 -6.354 -10.025 565 HB3 SER 73 2HB SER 73 6.429 -6.876 -8.709 566 HG SER 73 HG SER 73 5.201 -8.833 -8.639 567 H ALA 74 H ALA 74 5.554 -5.383 -6.446 568 HA ALA 74 HA ALA 74 4.158 -7.204 -4.564 569 HB1 ALA 74 1HB ALA 74 5.891 -4.794 -4.014 570 HB2 ALA 74 2HB ALA 74 6.490 -6.439 -4.112 571 HB3 ALA 74 3HB ALA 74 5.393 -5.990 -2.822 572 H LEU 75 H LEU 75 4.026 -4.351 -5.946 573 HA LEU 75 HA LEU 75 2.151 -3.151 -4.209 574 HB2 LEU 75 1HB LEU 75 4.285 -3.021 -5.190 575 HB3 LEU 75 2HB LEU 75 4.014 -1.934 -6.294 576 HG LEU 75 HG LEU 75 3.809 -1.998 -3.256 577 HD11 LEU 75 1HD1 LEU 75 5.915 -1.768 -4.850 578 HD12 LEU 75 2HD1 LEU 75 5.678 -0.914 -3.311 579 HD13 LEU 75 3HD1 LEU 75 5.252 -0.104 -4.811 580 HD21 LEU 75 1HD2 LEU 75 3.238 0.107 -2.984 581 HD22 LEU 75 2HD2 LEU 75 2.176 -0.243 -4.370 582 HD23 LEU 75 3HD2 LEU 75 3.805 0.569 -4.571 583 H ARG 76 H ARG 76 1.722 -5.203 -5.990 584 HA ARG 76 HA ARG 76 -0.557 -4.524 -7.744 585 HB2 ARG 76 1HB ARG 76 1.776 -6.255 -8.389 586 HB3 ARG 76 2HB ARG 76 0.214 -6.981 -8.661 587 HG2 ARG 76 1HG ARG 76 1.085 -6.075 -10.688 588 HG3 ARG 76 2HG ARG 76 -0.328 -5.141 -10.188 589 HD2 ARG 76 1HD ARG 76 2.082 -4.389 -9.049 590 HD3 ARG 76 2HD ARG 76 2.114 -4.064 -10.829 591 HE ARG 76 HE ARG 76 0.836 -2.711 -8.663 592 HH11 ARG 76 1HH1 ARG 76 0.135 -3.537 -12.029 593 HH12 ARG 76 2HH1 ARG 76 -0.666 -2.076 -12.400 594 HH21 ARG 76 1HH2 ARG 76 -0.185 -0.736 -9.152 595 HH22 ARG 76 2HH2 ARG 76 -0.865 -0.388 -10.678 596 H LEU 77 H LEU 77 1.402 -6.848 -6.048 597 HA LEU 77 HA LEU 77 -0.242 -9.049 -5.880 598 HB2 LEU 77 1HB LEU 77 2.349 -8.649 -5.266 599 HB3 LEU 77 2HB LEU 77 1.777 -8.134 -3.921 600 HG LEU 77 HG LEU 77 0.469 -10.503 -3.980 601 HD11 LEU 77 1HD1 LEU 77 2.470 -10.966 -5.574 602 HD12 LEU 77 2HD1 LEU 77 2.561 -11.842 -3.995 603 HD13 LEU 77 3HD1 LEU 77 3.372 -10.261 -4.217 604 HD21 LEU 77 1HD2 LEU 77 1.986 -10.622 -1.990 605 HD22 LEU 77 2HD2 LEU 77 1.067 -9.084 -2.207 606 HD23 LEU 77 3HD2 LEU 77 2.732 -9.231 -2.838 607 H TYR 78 H TYR 78 0.738 -6.893 -3.407 608 HA TYR 78 HA TYR 78 -1.241 -8.013 -1.773 609 HB2 TYR 78 2HB TYR 78 0.026 -7.432 0.026 610 HB3 TYR 78 1HB TYR 78 1.221 -7.051 -1.176 611 HD1 TYR 78 1HD TYR 78 0.809 -4.650 -2.201 612 HD2 TYR 78 2HD TYR 78 -0.101 -6.018 1.647 613 HE1 TYR 78 1HE TYR 78 0.921 -2.426 -1.471 614 HE2 TYR 78 2HE TYR 78 0.019 -3.785 2.513 615 HH TYR 78 HH TYR 78 0.570 -1.757 2.090 616 H THR 79 H THR 79 -0.866 -5.478 -3.813 617 HA THR 79 HA THR 79 -2.932 -3.730 -2.671 618 HB THR 79 HB THR 79 -2.608 -2.248 -4.480 619 HG1 THR 79 1HG THR 79 -2.555 -3.792 -6.188 620 HG21 THR 79 1HG2 THR 79 -0.960 -2.367 -2.855 621 HG22 THR 79 2HG2 THR 79 -0.166 -2.016 -4.425 622 HG23 THR 79 3HG2 THR 79 -0.161 -3.666 -3.718 623 H SER 80 H SER 80 -2.919 -6.505 -4.578 624 HA SER 80 HA SER 80 -5.582 -6.033 -5.583 625 HB2 SER 80 1HB SER 80 -3.817 -8.504 -5.721 626 HB3 SER 80 2HB SER 80 -5.408 -8.365 -6.469 627 HG SER 80 HG SER 80 -3.087 -6.865 -7.018 628 H SER 81 H SER 81 -4.261 -6.585 -2.655 629 HA SER 81 HA SER 81 -6.159 -8.494 -1.765 630 HB2 SER 81 1HB SER 81 -4.413 -8.494 -0.370 631 HB3 SER 81 2HB SER 81 -4.169 -6.706 -0.434 632 HG SER 81 HG SER 81 -5.775 -8.326 1.245 633 H TRP 82 H TRP 82 -7.660 -7.969 -0.508 634 HA TRP 82 HA TRP 82 -9.377 -5.630 -1.318 635 HB2 TRP 82 2HB TRP 82 -10.134 -8.186 -0.672 636 HB3 TRP 82 1HB TRP 82 -10.119 -7.398 0.887 637 HD1 TRP 82 1HD TRP 82 -11.046 -5.616 -2.180 638 HE1 TRP 82 1HE TRP 82 -13.507 -5.240 -2.153 639 HE3 TRP 82 3HE TRP 82 -12.066 -8.313 1.841 640 HZ2 TRP 82 2HZ TRP 82 -15.617 -5.918 -0.534 641 HZ3 TRP 82 3HZ TRP 82 -14.322 -8.369 2.591 642 HH2 TRP 82 2HH TRP 82 -16.115 -7.198 1.321 643 H ARG 83 H ARG 83 -7.888 -6.865 1.237 644 HA ARG 83 HA ARG 83 -8.722 -4.953 3.097 645 HB2 ARG 83 1HB ARG 83 -8.214 -6.760 3.903 646 HB3 ARG 83 2HB ARG 83 -6.745 -7.110 2.975 647 HG2 ARG 83 1HG ARG 83 -5.514 -5.816 4.446 648 HG3 ARG 83 2HG ARG 83 -6.997 -5.066 5.078 649 HD2 ARG 83 1HD ARG 83 -7.688 -7.155 6.053 650 HD3 ARG 83 2HD ARG 83 -6.458 -8.027 5.160 651 HE ARG 83 HE ARG 83 -5.540 -6.141 7.119 652 HH11 ARG 83 1HH1 ARG 83 -6.164 -9.502 6.124 653 HH12 ARG 83 2HH1 ARG 83 -5.568 -10.252 7.502 654 HH21 ARG 83 1HH2 ARG 83 -4.608 -7.152 9.126 655 HH22 ARG 83 2HH2 ARG 83 -4.624 -8.846 9.299 656 H TYR 84 H TYR 84 -6.402 -4.972 0.871 657 HA TYR 84 HA TYR 84 -4.964 -2.622 1.452 658 HB2 TYR 84 2HB TYR 84 -4.374 -4.193 -0.385 659 HB3 TYR 84 1HB TYR 84 -5.918 -3.910 -1.039 660 HD1 TYR 84 1HD TYR 84 -6.431 -2.438 -2.432 661 HD2 TYR 84 2HD TYR 84 -2.623 -1.894 -0.557 662 HE1 TYR 84 1HE TYR 84 -5.845 -0.654 -4.037 663 HE2 TYR 84 2HE TYR 84 -2.105 -0.222 -2.041 664 HH TYR 84 HH TYR 84 -2.600 0.587 -4.170 665 H LEU 85 H LEU 85 -7.729 -3.090 -0.678 666 HA LEU 85 HA LEU 85 -8.135 -0.333 -0.681 667 HB2 LEU 85 1HB LEU 85 -10.111 -0.706 -1.887 668 HB3 LEU 85 2HB LEU 85 -8.437 -0.859 -2.627 669 HG LEU 85 HG LEU 85 -10.295 -2.313 -3.651 670 HD11 LEU 85 1HD1 LEU 85 -8.624 -3.824 -1.823 671 HD12 LEU 85 2HD1 LEU 85 -8.048 -3.222 -3.397 672 HD13 LEU 85 3HD1 LEU 85 -9.362 -4.458 -3.297 673 HD21 LEU 85 1HD2 LEU 85 -11.635 -2.216 -1.554 674 HD22 LEU 85 2HD2 LEU 85 -10.571 -3.421 -0.895 675 HD23 LEU 85 3HD2 LEU 85 -11.561 -3.773 -2.312 676 H TYR 86 H TYR 86 -9.069 -1.957 1.582 677 HA TYR 86 HA TYR 86 -11.642 -1.623 2.087 678 HB2 TYR 86 2HB TYR 86 -9.272 -1.815 3.239 679 HB3 TYR 86 1HB TYR 86 -10.261 -1.076 4.447 680 HD1 TYR 86 1HD TYR 86 -11.197 -2.846 5.880 681 HD2 TYR 86 2HD TYR 86 -10.278 -3.701 1.809 682 HE1 TYR 86 1HE TYR 86 -11.979 -5.144 6.156 683 HE2 TYR 86 2HE TYR 86 -10.979 -5.705 1.959 684 HH TYR 86 HH TYR 86 -11.353 -7.556 3.868 685 H GLY 87 H GLY 87 -9.202 0.546 1.672 686 HA2 GLY 87 1HA GLY 87 -10.676 2.812 1.315 687 HA3 GLY 87 2HA GLY 87 -9.825 3.094 2.833 688 H VAL 88 H VAL 88 -9.677 2.049 -0.508 689 HA VAL 88 HA VAL 88 -7.396 3.753 -0.765 690 HB VAL 88 HB VAL 88 -7.628 1.121 -2.156 691 HG11 VAL 88 1HG1 VAL 88 -5.344 1.663 -2.994 692 HG12 VAL 88 2HG1 VAL 88 -5.366 3.183 -2.121 693 HG13 VAL 88 3HG1 VAL 88 -6.489 2.922 -3.463 694 HG21 VAL 88 1HG2 VAL 88 -5.878 0.349 -0.810 695 HG22 VAL 88 2HG2 VAL 88 -7.143 1.113 0.202 696 HG23 VAL 88 3HG2 VAL 88 -5.648 1.993 -0.139 697 H LYS 89 H LYS 89 -8.073 5.055 -2.441 698 HA LYS 89 HA LYS 89 -8.217 4.197 -4.970 699 HB2 LYS 89 1HB LYS 89 -10.511 3.474 -4.668 700 HB3 LYS 89 2HB LYS 89 -11.060 4.973 -4.033 701 HG2 LYS 89 1HG LYS 89 -10.797 6.026 -6.199 702 HG3 LYS 89 2HG LYS 89 -10.009 4.581 -6.833 703 HD2 LYS 89 1HD LYS 89 -12.804 4.492 -5.713 704 HD3 LYS 89 2HD LYS 89 -12.502 4.944 -7.387 705 HE2 LYS 89 1HE LYS 89 -13.075 2.564 -7.219 706 HE3 LYS 89 2HE LYS 89 -11.431 2.769 -7.793 707 HZ1 LYS 89 1HZ LYS 89 -12.159 2.086 -4.973 708 HZ2 LYS 89 2HZ LYS 89 -10.603 2.094 -5.611 709 HZ3 LYS 89 3HZ LYS 89 -11.730 0.966 -6.139 710 HA PRO 90 HA PRO 90 -7.685 8.836 -4.495 711 HB2 PRO 90 2HB PRO 90 -8.831 9.498 -2.019 712 HB3 PRO 90 1HB PRO 90 -9.218 10.315 -3.572 713 HG2 PRO 90 2HG PRO 90 -11.087 8.950 -2.259 714 HG3 PRO 90 1HG PRO 90 -10.949 8.808 -4.027 715 HD2 PRO 90 2HD PRO 90 -9.939 6.947 -1.927 716 HD3 PRO 90 1HD PRO 90 -10.843 6.635 -3.434 717 H GLY 91 H GLY 91 -7.312 10.123 -1.859 718 HA2 GLY 91 1HA GLY 91 -5.229 8.803 -1.397 719 HA3 GLY 91 2HA GLY 91 -5.256 10.335 -0.597 720 H ALA 92 H ALA 92 -7.044 7.939 -0.720 721 HA ALA 92 HA ALA 92 -7.746 6.923 1.840 722 HB1 ALA 92 1HB ALA 92 -8.449 4.908 0.484 723 HB2 ALA 92 2HB ALA 92 -7.614 5.759 -0.839 724 HB3 ALA 92 3HB ALA 92 -8.988 6.525 -0.067 725 H THR 93 H THR 93 -5.320 6.159 -0.216 726 HA THR 93 HA THR 93 -3.814 4.160 0.725 727 HB THR 93 HB THR 93 -2.788 5.278 -0.965 728 HG1 THR 93 1HG THR 93 -0.908 5.959 -0.325 729 HG21 THR 93 1HG2 THR 93 -4.145 7.085 -1.147 730 HG22 THR 93 2HG2 THR 93 -2.493 7.785 -0.979 731 HG23 THR 93 3HG2 THR 93 -3.611 7.801 0.347 732 H ARG 94 H ARG 94 -4.027 7.416 1.968 733 HA ARG 94 HA ARG 94 -3.279 8.543 3.584 734 HB2 ARG 94 1HB ARG 94 -3.339 5.913 4.921 735 HB3 ARG 94 2HB ARG 94 -2.490 7.339 5.591 736 HG2 ARG 94 1HG ARG 94 -4.685 7.258 6.615 737 HG3 ARG 94 2HG ARG 94 -4.718 8.546 5.424 738 HD2 ARG 94 1HD ARG 94 -5.987 6.964 3.835 739 HD3 ARG 94 2HD ARG 94 -5.810 5.763 5.095 740 HE ARG 94 HE ARG 94 -6.978 7.861 6.357 741 HH11 ARG 94 1HH1 ARG 94 -7.770 5.722 3.681 742 HH12 ARG 94 2HH1 ARG 94 -9.466 5.894 3.835 743 HH21 ARG 94 1HH2 ARG 94 -9.113 8.088 6.657 744 HH22 ARG 94 2HH2 ARG 94 -10.316 7.369 5.644 745 H VAL 95 H VAL 95 -1.216 6.606 1.870 746 HA VAL 95 HA VAL 95 0.972 8.110 2.848 747 HB VAL 95 HB VAL 95 2.233 6.571 3.850 748 HG11 VAL 95 1HG1 VAL 95 1.098 4.703 4.808 749 HG12 VAL 95 2HG1 VAL 95 -0.241 5.087 3.563 750 HG13 VAL 95 3HG1 VAL 95 0.203 6.267 4.838 751 HG21 VAL 95 1HG2 VAL 95 2.669 4.452 3.061 752 HG22 VAL 95 2HG2 VAL 95 2.636 5.689 1.770 753 HG23 VAL 95 3HG2 VAL 95 1.266 4.562 1.923 754 H ASP 96 H ASP 96 2.024 8.661 1.460 755 HA ASP 96 HA ASP 96 3.351 6.848 -0.530 756 HB2 ASP 96 1HB ASP 96 2.734 9.781 -0.969 757 HB3 ASP 96 2HB ASP 96 4.243 9.133 -1.595 758 H LEU 97 H LEU 97 4.063 6.094 1.087 759 HA LEU 97 HA LEU 97 5.066 5.649 2.819 760 HB2 LEU 97 1HB LEU 97 7.643 5.823 1.412 761 HB3 LEU 97 2HB LEU 97 6.845 4.814 2.452 762 HG LEU 97 HG LEU 97 5.184 5.032 0.361 763 HD11 LEU 97 1HD1 LEU 97 7.382 5.822 -0.650 764 HD12 LEU 97 2HD1 LEU 97 6.757 4.314 -1.361 765 HD13 LEU 97 3HD1 LEU 97 8.056 4.270 -0.155 766 HD21 LEU 97 1HD2 LEU 97 5.534 3.323 1.958 767 HD22 LEU 97 2HD2 LEU 97 7.221 3.456 1.235 768 HD23 LEU 97 3HD2 LEU 97 5.811 2.835 0.220 769 H ASP 98 H ASP 98 4.977 8.710 2.734 770 HA ASP 98 HA ASP 98 6.751 9.244 4.910 771 HB2 ASP 98 1HB ASP 98 6.074 10.984 3.043 772 HB3 ASP 98 2HB ASP 98 4.492 10.827 3.805 773 H GLY 99 H GLY 99 3.524 9.242 3.874 774 HA2 GLY 99 1HA GLY 99 1.928 7.939 5.123 775 HA3 GLY 99 2HA GLY 99 2.406 8.702 6.533 776 H ASN 100 H ASN 100 2.205 10.240 3.368 777 HA ASN 100 HA ASN 100 0.092 12.159 3.868 778 HB2 ASN 100 1HB ASN 100 2.333 11.481 2.062 779 HB3 ASN 100 2HB ASN 100 1.219 12.563 1.418 780 HD21 ASN 100 1HD2 ASN 100 3.947 14.152 2.770 781 HD22 ASN 100 2HD2 ASN 100 3.754 12.905 1.598 782 HA PRO 101 HA PRO 101 -2.500 9.059 1.880 783 HB2 PRO 101 2HB PRO 101 -4.069 11.407 0.937 784 HB3 PRO 101 1HB PRO 101 -4.476 10.129 2.027 785 HG2 PRO 101 2HG PRO 101 -3.978 12.533 3.069 786 HG3 PRO 101 1HG PRO 101 -3.116 11.143 3.831 787 HD2 PRO 101 2HD PRO 101 -2.382 12.574 1.497 788 HD3 PRO 101 1HD PRO 101 -1.392 12.947 2.800 789 H CYS 102 H CYS 102 -0.599 9.024 0.427 790 HA CYS 102 HA CYS 102 0.706 9.573 -1.250 791 HB2 CYS 102 2HB CYS 102 -0.144 8.094 -2.477 792 HB3 CYS 102 1HB CYS 102 -1.777 8.418 -2.581 793 HG CYS 102 HG CYS 102 0.934 9.389 -4.288 794 H GLY 103 H GLY 103 -1.025 11.470 -0.036 795 HA2 GLY 103 1HA GLY 103 -0.869 13.814 0.466 796 HA3 GLY 103 2HA GLY 103 0.196 13.915 -0.919 797 H GLU 104 H GLU 104 -2.283 12.300 -1.528 798 HA GLU 104 HA GLU 104 -3.422 14.041 -3.452 799 HB2 GLU 104 1HB GLU 104 -3.385 11.965 -4.421 800 HB3 GLU 104 2HB GLU 104 -3.033 11.338 -2.810 801 HG2 GLU 104 1HG GLU 104 -5.067 10.926 -2.253 802 HG3 GLU 104 2HG GLU 104 -5.807 11.760 -3.679 803 H LEU 105 H LEU 105 -4.534 12.514 -0.326 804 HA LEU 105 HA LEU 105 -6.773 14.392 -0.392 805 HB2 LEU 105 1HB LEU 105 -7.257 11.889 -1.305 806 HB3 LEU 105 2HB LEU 105 -7.112 11.577 0.301 807 HG LEU 105 HG LEU 105 -8.969 13.814 -0.262 808 HD11 LEU 105 1HD1 LEU 105 -10.565 11.635 -0.275 809 HD12 LEU 105 2HD1 LEU 105 -9.115 11.159 -1.239 810 HD13 LEU 105 3HD1 LEU 105 -10.083 12.576 -1.757 811 HD21 LEU 105 1HD2 LEU 105 -9.343 13.417 1.705 812 HD22 LEU 105 2HD2 LEU 105 -8.091 12.241 1.639 813 HD23 LEU 105 3HD2 LEU 105 -9.819 11.718 1.405 814 H ASP 106 H ASP 106 -7.797 14.489 1.532 815 HA ASP 106 HA ASP 106 -6.468 14.734 4.093 816 HB2 ASP 106 1HB ASP 106 -8.241 16.340 3.379 817 HB3 ASP 106 2HB ASP 106 -9.102 15.072 2.626 818 H GLU 107 H GLU 107 -8.679 13.527 5.366 819 HA GLU 107 HA GLU 107 -8.893 10.809 4.251 820 HB2 GLU 107 1HB GLU 107 -8.060 9.770 6.064 821 HB3 GLU 107 2HB GLU 107 -7.483 11.434 6.382 822 HG2 GLU 107 1HG GLU 107 -9.049 11.926 7.840 823 HG3 GLU 107 2HG GLU 107 -10.169 10.810 7.195 824 H GLN 108 H GLN 108 -10.613 13.372 5.018 825 HA GLN 108 HA GLN 108 -13.028 11.832 5.618 826 HB2 GLN 108 1HB GLN 108 -12.260 13.980 6.926 827 HB3 GLN 108 2HB GLN 108 -12.752 14.716 5.386 828 HG2 GLN 108 1HG GLN 108 -14.919 13.855 5.542 829 HG3 GLN 108 2HG GLN 108 -14.408 12.786 6.854 830 HE21 GLN 108 1HE2 GLN 108 -16.378 15.844 7.995 831 HE22 GLN 108 2HE2 GLN 108 -16.630 14.698 6.713 832 H HIS 109 H HIS 109 -11.110 12.416 3.224 833 HA HIS 109 HA HIS 109 -13.553 12.110 1.752 834 HB2 HIS 109 1HB HIS 109 -11.009 13.038 1.051 835 HB3 HIS 109 2HB HIS 109 -12.322 13.159 -0.192 836 HD1 HIS 109 HD1 HIS 109 -14.282 14.613 2.097 837 HD2 HIS 109 HD2 HIS 109 -10.458 15.853 1.043 838 HE1 HIS 109 HE1 HIS 109 -14.124 16.995 2.828 839 HE2 HIS 109 HE2 HIS 109 -11.670 17.389 2.699 840 H VAL 110 H VAL 110 -10.739 10.903 2.558 841 HA VAL 110 HA VAL 110 -11.331 9.043 0.682 842 HB VAL 110 HB VAL 110 -9.366 7.658 1.607 843 HG11 VAL 110 1HG1 VAL 110 -9.736 8.873 -0.419 844 HG12 VAL 110 2HG1 VAL 110 -8.049 9.262 0.092 845 HG13 VAL 110 3HG1 VAL 110 -9.411 10.350 0.458 846 HG21 VAL 110 1HG2 VAL 110 -8.935 10.412 2.499 847 HG22 VAL 110 2HG2 VAL 110 -7.696 9.128 2.575 848 HG23 VAL 110 3HG2 VAL 110 -9.158 9.046 3.613 849 H GLU 111 H GLU 111 -12.242 9.849 3.018 850 HA GLU 111 HA GLU 111 -13.080 7.973 4.944 851 HB2 GLU 111 1HB GLU 111 -13.111 10.226 5.100 852 HB3 GLU 111 2HB GLU 111 -14.081 10.733 4.071 853 HG2 GLU 111 1HG GLU 111 -15.067 8.575 5.657 854 HG3 GLU 111 2HG GLU 111 -15.079 10.184 6.467 855 H HIS 112 H HIS 112 -14.216 9.027 1.877 856 HA HIS 112 HA HIS 112 -16.337 7.123 1.884 857 HB2 HIS 112 1HB HIS 112 -15.068 8.796 -0.027 858 HB3 HIS 112 2HB HIS 112 -16.636 8.035 -0.465 859 HD1 HIS 112 HD1 HIS 112 -18.798 9.057 0.914 860 HD2 HIS 112 HD2 HIS 112 -15.234 11.064 1.522 861 HE1 HIS 112 HE1 HIS 112 -19.420 11.129 2.158 862 HE2 HIS 112 HE2 HIS 112 -17.187 11.686 3.049 863 H ALA 113 H ALA 113 -13.179 7.105 1.153 864 HA ALA 113 HA ALA 113 -13.365 4.997 -0.581 865 HB1 ALA 113 1HB ALA 113 -11.774 6.916 0.056 866 HB2 ALA 113 2HB ALA 113 -11.263 5.436 -0.891 867 HB3 ALA 113 3HB ALA 113 -11.047 5.522 0.920 868 H ARG 114 H ARG 114 -12.963 5.757 2.624 869 HA ARG 114 HA ARG 114 -11.956 3.472 3.607 870 HB2 ARG 114 1HB ARG 114 -12.103 5.860 4.609 871 HB3 ARG 114 2HB ARG 114 -13.704 5.416 5.090 872 HG2 ARG 114 1HG ARG 114 -12.779 3.644 6.536 873 HG3 ARG 114 2HG ARG 114 -11.150 4.197 6.108 874 HD2 ARG 114 1HD ARG 114 -12.200 6.559 6.764 875 HD3 ARG 114 2HD ARG 114 -13.237 5.543 7.756 876 HE ARG 114 HE ARG 114 -10.877 4.646 8.481 877 HH11 ARG 114 1HH1 ARG 114 -12.104 8.026 8.251 878 HH12 ARG 114 2HH1 ARG 114 -10.786 8.653 9.155 879 HH21 ARG 114 1HH2 ARG 114 -9.087 5.720 9.838 880 HH22 ARG 114 2HH2 ARG 114 -9.176 7.423 9.975 881 H LYS 115 H LYS 115 -15.079 4.383 2.246 882 HA LYS 115 HA LYS 115 -16.567 2.545 3.802 883 HB2 LYS 115 1HB LYS 115 -18.142 4.339 4.018 884 HB3 LYS 115 2HB LYS 115 -16.630 5.227 3.722 885 HG2 LYS 115 1HG LYS 115 -17.971 6.272 2.364 886 HG3 LYS 115 2HG LYS 115 -17.110 5.105 1.342 887 HD2 LYS 115 1HD LYS 115 -19.158 3.618 1.714 888 HD3 LYS 115 2HD LYS 115 -19.963 5.110 2.236 889 HE2 LYS 115 1HE LYS 115 -19.295 6.185 0.198 890 HE3 LYS 115 2HE LYS 115 -18.449 4.670 -0.221 891 HZ1 LYS 115 1HZ LYS 115 -21.470 5.043 0.012 892 HZ2 LYS 115 2HZ LYS 115 -20.680 3.588 -0.053 893 HZ3 LYS 115 3HZ LYS 115 -20.630 4.499 -1.374 894 H GLN 116 H GLN 116 -15.182 3.559 0.686 895 HA GLN 116 HA GLN 116 -17.075 2.335 -0.542 896 HB2 GLN 116 1HB GLN 116 -15.623 2.197 -2.655 897 HB3 GLN 116 2HB GLN 116 -15.836 3.775 -1.907 898 HG2 GLN 116 1HG GLN 116 -13.657 3.855 -2.180 899 HG3 GLN 116 2HG GLN 116 -13.738 3.015 -0.610 900 HE21 GLN 116 1HE2 GLN 116 -12.418 -0.014 -1.989 901 HE22 GLN 116 2HE2 GLN 116 -13.444 0.582 -0.768 902 H LEU 117 H LEU 117 -14.686 0.776 1.185 903 HA LEU 117 HA LEU 117 -15.245 -1.779 0.164 904 HB2 LEU 117 1HB LEU 117 -13.293 -0.366 0.981 905 HB3 LEU 117 2HB LEU 117 -13.399 -1.376 2.328 906 HG LEU 117 HG LEU 117 -12.249 -1.870 0.330 907 HD11 LEU 117 1HD1 LEU 117 -12.834 -4.470 0.501 908 HD12 LEU 117 2HD1 LEU 117 -14.294 -3.825 1.291 909 HD13 LEU 117 3HD1 LEU 117 -12.659 -3.519 1.978 910 HD21 LEU 117 1HD2 LEU 117 -14.841 -2.766 -1.124 911 HD22 LEU 117 2HD2 LEU 117 -13.266 -3.087 -1.611 912 HD23 LEU 117 3HD2 LEU 117 -13.766 -1.416 -1.464 913 H GLU 118 H GLU 118 -16.898 0.332 2.184 914 HA GLU 118 HA GLU 118 -17.939 -1.961 3.273 915 HB2 GLU 118 1HB GLU 118 -18.391 0.944 3.882 916 HB3 GLU 118 2HB GLU 118 -19.674 -0.182 4.286 917 HG2 GLU 118 1HG GLU 118 -16.842 -0.322 5.307 918 HG3 GLU 118 2HG GLU 118 -18.216 0.333 6.193 919 H GLU 119 H GLU 119 -17.861 -0.716 0.552 920 HA GLU 119 HA GLU 119 -20.592 -0.748 -0.124 921 HB2 GLU 119 1HB GLU 119 -18.131 -0.613 -1.786 922 HB3 GLU 119 2HB GLU 119 -19.768 -0.427 -2.485 923 HG2 GLU 119 1HG GLU 119 -18.580 1.026 -0.341 924 HG3 GLU 119 2HG GLU 119 -18.358 1.634 -2.011 925 H ALA 120 H ALA 120 -17.429 -2.348 -0.430 926 HA ALA 120 HA ALA 120 -18.535 -4.514 -1.742 927 HB1 ALA 120 1HB ALA 120 -16.459 -3.371 -2.082 928 HB2 ALA 120 2HB ALA 120 -16.350 -5.125 -2.060 929 HB3 ALA 120 3HB ALA 120 -15.880 -4.119 -0.615 930 H LYS 121 H LYS 121 -17.194 -4.121 1.318 931 HA LYS 121 HA LYS 121 -17.454 -6.642 2.428 932 HB2 LYS 121 1HB LYS 121 -17.124 -3.933 3.150 933 HB3 LYS 121 2HB LYS 121 -17.678 -5.005 4.509 934 HG2 LYS 121 1HG LYS 121 -15.875 -6.243 3.924 935 HG3 LYS 121 2HG LYS 121 -15.543 -5.228 2.567 936 HD2 LYS 121 1HD LYS 121 -14.081 -4.687 4.734 937 HD3 LYS 121 2HD LYS 121 -14.841 -3.619 3.518 938 HE2 LYS 121 1HE LYS 121 -15.127 -2.664 5.771 939 HE3 LYS 121 2HE LYS 121 -16.557 -3.093 4.811 940 HZ1 LYS 121 1HZ LYS 121 -16.973 -4.973 6.220 941 HZ2 LYS 121 2HZ LYS 121 -16.928 -3.518 7.005 942 HZ3 LYS 121 3HZ LYS 121 -15.619 -4.582 7.221 943 H ALA 122 H ALA 122 -19.398 -4.157 3.051 944 HA ALA 122 HA ALA 122 -21.351 -5.413 4.221 945 HB1 ALA 122 1HB ALA 122 -22.612 -3.519 3.869 946 HB2 ALA 122 2HB ALA 122 -21.580 -3.223 2.420 947 HB3 ALA 122 3HB ALA 122 -20.840 -3.173 4.048 948 H ARG 123 H ARG 123 -20.567 -5.629 0.793 949 HA ARG 123 HA ARG 123 -23.183 -6.118 0.112 950 HB2 ARG 123 1HB ARG 123 -22.488 -5.507 -1.991 951 HB3 ARG 123 2HB ARG 123 -20.942 -5.233 -1.130 952 HG2 ARG 123 1HG ARG 123 -20.362 -7.526 -1.529 953 HG3 ARG 123 2HG ARG 123 -21.721 -7.700 -2.662 954 HD2 ARG 123 1HD ARG 123 -20.696 -5.828 -3.979 955 HD3 ARG 123 2HD ARG 123 -19.450 -5.863 -2.692 956 HE ARG 123 HE ARG 123 -19.615 -8.423 -3.695 957 HH11 ARG 123 1HH1 ARG 123 -18.646 -5.335 -5.066 958 HH12 ARG 123 2HH1 ARG 123 -17.373 -5.992 -6.008 959 HH21 ARG 123 1HH2 ARG 123 -17.943 -9.308 -4.800 960 HH22 ARG 123 2HH2 ARG 123 -16.946 -8.432 -5.867 961 H VAL 124 H VAL 124 -20.447 -7.429 1.025 962 HA VAL 124 HA VAL 124 -20.555 -9.916 -0.397 963 HB VAL 124 HB VAL 124 -18.722 -8.914 1.647 964 HG11 VAL 124 1HG1 VAL 124 -17.199 -10.783 0.919 965 HG12 VAL 124 2HG1 VAL 124 -18.644 -11.357 -0.008 966 HG13 VAL 124 3HG1 VAL 124 -18.715 -11.204 1.771 967 HG21 VAL 124 1HG2 VAL 124 -18.381 -9.178 -1.296 968 HG22 VAL 124 2HG2 VAL 124 -17.095 -8.715 -0.130 969 HG23 VAL 124 3HG2 VAL 124 -18.583 -7.758 -0.249 970 H GLN 125 H GLN 125 -20.244 -8.794 2.503 971 HA GLN 125 HA GLN 125 -20.492 -9.324 4.606 972 HB2 GLN 125 1HB GLN 125 -21.649 -8.339 3.060 973 HB3 GLN 125 2HB GLN 125 -21.807 -7.715 4.225 974 HG2 GLN 125 1HG GLN 125 -23.895 -7.873 2.856 975 HG3 GLN 125 2HG GLN 125 -23.244 -9.455 2.351 976 HE21 GLN 125 1HE2 GLN 125 -25.331 -9.810 5.813 977 HE22 GLN 125 2HE2 GLN 125 -23.923 -8.807 5.696 978 H ALA 126 H ALA 126 -22.651 -11.446 2.810 979 HA ALA 126 HA ALA 126 -23.528 -12.791 4.946 980 HB1 ALA 126 1HB ALA 126 -25.014 -13.592 3.590 981 HB2 ALA 126 2HB ALA 126 -23.922 -13.590 2.167 982 HB3 ALA 126 3HB ALA 126 -24.517 -12.041 2.845 983 H GLN 127 H GLN 127 -22.118 -14.207 1.777 984 HA GLN 127 HA GLN 127 -20.794 -16.111 3.170 985 HB2 GLN 127 1HB GLN 127 -22.364 -15.610 0.914 986 HB3 GLN 127 2HB GLN 127 -20.786 -16.131 0.417 987 HG2 GLN 127 1HG GLN 127 -22.651 -17.293 2.342 988 HG3 GLN 127 2HG GLN 127 -22.416 -17.993 0.723 989 HE21 GLN 127 1HE2 GLN 127 -20.440 -19.895 3.343 990 HE22 GLN 127 2HE2 GLN 127 -22.092 -19.404 3.225 991 H ARG 128 H ARG 128 -18.634 -16.106 3.026 992 HA ARG 128 HA ARG 128 -17.189 -14.114 2.200 993 HB2 ARG 128 1HB ARG 128 -16.465 -17.001 2.535 994 HB3 ARG 128 2HB ARG 128 -15.393 -15.742 1.879 995 HG2 ARG 128 1HG ARG 128 -16.730 -15.193 4.422 996 HG3 ARG 128 2HG ARG 128 -15.239 -16.206 4.444 997 HD2 ARG 128 1HD ARG 128 -15.811 -13.499 3.436 998 HD3 ARG 128 2HD ARG 128 -14.711 -13.879 4.771 999 HE ARG 128 HE ARG 128 -13.290 -14.995 3.049 1000 HH11 ARG 128 1HH1 ARG 128 -15.406 -12.290 2.063 1001 HH12 ARG 128 2HH1 ARG 128 -14.593 -12.053 0.581 1002 HH21 ARG 128 1HH2 ARG 128 -12.194 -14.576 0.956 1003 HH22 ARG 128 2HH2 ARG 128 -12.804 -13.331 -0.032 1004 H ALA 129 H ALA 129 -18.332 -16.937 0.552 1005 HA ALA 129 HA ALA 129 -16.964 -16.736 -1.740 1006 HB1 ALA 129 1HB ALA 129 -19.439 -18.124 -1.025 1007 HB2 ALA 129 2HB ALA 129 -17.711 -18.672 -1.005 1008 HB3 ALA 129 3HB ALA 129 -18.512 -18.306 -2.549 1009 H GLU 130 H GLU 130 -17.323 -15.273 -3.256 1010 HA GLU 130 HA GLU 130 -19.491 -15.009 -4.704 1011 HB2 GLU 130 1HB GLU 130 -20.368 -12.686 -4.341 1012 HB3 GLU 130 2HB GLU 130 -20.635 -13.710 -2.951 1013 HG2 GLU 130 1HG GLU 130 -19.946 -11.851 -1.868 1014 HG3 GLU 130 2HG GLU 130 -18.357 -12.549 -2.195 1015 H GLN 131 H GLN 131 -16.663 -13.380 -3.537 1016 HA GLN 131 HA GLN 131 -15.874 -12.980 -6.336 1017 HB2 GLN 131 1HB GLN 131 -14.332 -11.296 -5.646 1018 HB3 GLN 131 2HB GLN 131 -15.758 -10.997 -4.684 1019 HG2 GLN 131 1HG GLN 131 -13.202 -12.314 -3.746 1020 HG3 GLN 131 2HG GLN 131 -13.700 -10.669 -3.409 1021 HE21 GLN 131 1HE2 GLN 131 -16.427 -12.278 -1.305 1022 HE22 GLN 131 2HE2 GLN 131 -16.488 -11.446 -2.809 1023 H GLN 132 H GLN 132 -15.998 -15.427 -4.786 1024 HA GLN 132 HA GLN 132 -13.237 -16.103 -4.430 1025 HB2 GLN 132 1HB GLN 132 -15.729 -17.467 -3.481 1026 HB3 GLN 132 2HB GLN 132 -14.121 -18.205 -3.368 1027 HG2 GLN 132 1HG GLN 132 -14.792 -15.541 -2.232 1028 HG3 GLN 132 2HG GLN 132 -15.058 -17.014 -1.318 1029 HE21 GLN 132 1HE2 GLN 132 -11.085 -16.620 -2.098 1030 HE22 GLN 132 2HE2 GLN 132 -12.187 -16.729 -3.396 1031 H ALA 133 H ALA 133 -12.226 -17.706 -5.725 1032 HA ALA 133 HA ALA 133 -13.708 -19.438 -7.356 1033 HB1 ALA 133 1HB ALA 133 -12.410 -18.715 -9.341 1034 HB2 ALA 133 2HB ALA 133 -11.836 -17.307 -8.437 1035 HB3 ALA 133 3HB ALA 133 -13.556 -17.486 -8.809 Start of MODEL 4 1 H1 MET 1 1H MET 1 4.985 -6.855 14.279 2 H2 MET 1 2H MET 1 5.622 -8.391 14.449 3 H3 MET 1 3H MET 1 6.583 -7.010 14.686 4 HA MET 1 HA MET 1 4.222 -7.519 16.342 5 HB2 MET 1 1HB MET 1 5.756 -8.144 18.162 6 HB3 MET 1 2HB MET 1 5.865 -9.283 16.832 7 HG2 MET 1 1HG MET 1 7.942 -8.258 16.092 8 HG3 MET 1 2HG MET 1 7.814 -7.044 17.360 9 HE1 MET 1 1HE MET 1 6.866 -8.654 19.909 10 HE2 MET 1 2HE MET 1 8.195 -7.499 19.911 11 HE3 MET 1 3HE MET 1 8.420 -9.101 20.610 12 H GLY 2 H GLY 2 4.775 -6.229 18.512 13 HA2 GLY 2 1HA GLY 2 5.249 -3.526 17.617 14 HA3 GLY 2 2HA GLY 2 4.724 -4.027 19.223 15 H SER 3 H SER 3 7.274 -2.847 17.450 16 HA SER 3 HA SER 3 9.482 -3.951 18.877 17 HB2 SER 3 1HB SER 3 9.327 -1.447 17.186 18 HB3 SER 3 2HB SER 3 10.746 -2.458 17.484 19 HG SER 3 HG SER 3 9.959 -3.131 15.508 20 H SER 4 H SER 4 7.430 -2.749 20.550 21 HA SER 4 HA SER 4 7.963 -0.179 21.468 22 HB2 SER 4 1HB SER 4 6.745 -2.511 22.947 23 HB3 SER 4 2HB SER 4 6.475 -0.794 23.254 24 HG SER 4 HG SER 4 4.782 -1.557 22.018 25 H HIS 5 H HIS 5 9.630 0.529 22.605 26 HA HIS 5 HA HIS 5 11.270 0.762 24.152 27 HB2 HIS 5 1HB HIS 5 9.711 -0.271 25.779 28 HB3 HIS 5 2HB HIS 5 10.217 -1.871 25.280 29 HD1 HIS 5 HD1 HIS 5 11.341 1.095 27.339 30 HD2 HIS 5 HD2 HIS 5 12.537 -2.816 26.546 31 HE1 HIS 5 HE1 HIS 5 13.129 0.578 29.022 32 HE2 HIS 5 HE2 HIS 5 13.987 -1.696 28.352 33 H HIS 6 H HIS 6 11.426 -1.157 21.642 34 HA HIS 6 HA HIS 6 13.631 -2.856 22.183 35 HB2 HIS 6 1HB HIS 6 12.128 -3.300 20.297 36 HB3 HIS 6 2HB HIS 6 12.619 -1.804 19.524 37 HD1 HIS 6 HD1 HIS 6 14.117 -5.171 20.499 38 HD2 HIS 6 HD2 HIS 6 14.708 -2.087 17.786 39 HE1 HIS 6 HE1 HIS 6 15.940 -5.953 18.985 40 HE2 HIS 6 HE2 HIS 6 15.628 -4.362 17.104 41 H HIS 7 H HIS 7 13.449 0.470 21.609 42 HA HIS 7 HA HIS 7 14.975 2.148 21.682 43 HB2 HIS 7 1HB HIS 7 16.205 1.001 23.441 44 HB3 HIS 7 2HB HIS 7 16.948 -0.086 22.283 45 HD1 HIS 7 HD1 HIS 7 19.219 0.544 21.543 46 HD2 HIS 7 HD2 HIS 7 17.186 3.786 23.153 47 HE1 HIS 7 HE1 HIS 7 20.901 2.419 21.618 48 HE2 HIS 7 HE2 HIS 7 19.695 4.309 22.755 49 H HIS 8 H HIS 8 15.713 3.346 20.090 50 HA HIS 8 HA HIS 8 15.856 2.284 17.503 51 HB2 HIS 8 1HB HIS 8 15.205 4.642 17.955 52 HB3 HIS 8 2HB HIS 8 16.870 4.996 18.407 53 HD1 HIS 8 HD1 HIS 8 18.461 5.615 16.505 54 HD2 HIS 8 HD2 HIS 8 14.897 3.948 15.152 55 HE1 HIS 8 HE1 HIS 8 18.542 5.793 14.015 56 HE2 HIS 8 HE2 HIS 8 16.624 4.342 13.304 57 H HIS 9 H HIS 9 17.354 1.418 16.435 58 HA HIS 9 HA HIS 9 20.110 2.090 16.479 59 HB2 HIS 9 1HB HIS 9 20.110 0.534 18.445 60 HB3 HIS 9 2HB HIS 9 19.335 -0.700 17.458 61 HD1 HIS 9 HD1 HIS 9 20.987 -2.435 16.740 62 HD2 HIS 9 HD2 HIS 9 22.740 1.333 17.009 63 HE1 HIS 9 HE1 HIS 9 23.387 -2.759 16.091 64 HE2 HIS 9 HE2 HIS 9 24.338 -0.431 16.012 65 H HIS 10 H HIS 10 17.483 -0.005 15.649 66 HA HIS 10 HA HIS 10 18.485 -0.494 12.947 67 HB2 HIS 10 1HB HIS 10 17.294 -2.162 14.676 68 HB3 HIS 10 2HB HIS 10 15.841 -1.346 14.152 69 HD1 HIS 10 HD1 HIS 10 16.417 -4.362 13.814 70 HD2 HIS 10 HD2 HIS 10 16.806 -1.535 10.813 71 HE1 HIS 10 HE1 HIS 10 16.366 -5.649 11.638 72 HE2 HIS 10 HE2 HIS 10 15.760 -3.778 10.186 73 H SER 11 H SER 11 15.883 -0.338 11.696 74 HA SER 11 HA SER 11 14.982 2.463 11.856 75 HB2 SER 11 1HB SER 11 13.757 1.566 9.895 76 HB3 SER 11 2HB SER 11 15.476 1.567 9.699 77 HG SER 11 HG SER 11 14.110 -0.803 10.556 78 H GLN 12 H GLN 12 12.436 1.010 11.100 79 HA GLN 12 HA GLN 12 11.596 1.098 13.885 80 HB2 GLN 12 1HB GLN 12 10.347 2.564 11.569 81 HB3 GLN 12 2HB GLN 12 9.829 2.582 13.257 82 HG2 GLN 12 1HG GLN 12 11.750 3.768 13.940 83 HG3 GLN 12 2HG GLN 12 12.576 3.526 12.400 84 HE21 GLN 12 1HE2 GLN 12 10.974 6.957 12.792 85 HE22 GLN 12 2HE2 GLN 12 11.934 6.004 13.871 86 H ASP 13 H ASP 13 12.084 -1.039 12.147 87 HA ASP 13 HA ASP 13 9.806 -1.769 10.910 88 HB2 ASP 13 1HB ASP 13 11.337 -3.896 11.086 89 HB3 ASP 13 2HB ASP 13 11.348 -2.764 9.698 90 HA PRO 14 HA PRO 14 7.971 -3.841 14.391 91 HB2 PRO 14 2HB PRO 14 6.179 -5.153 12.524 92 HB3 PRO 14 1HB PRO 14 5.837 -3.829 13.646 93 HG2 PRO 14 2HG PRO 14 5.785 -3.472 10.990 94 HG3 PRO 14 1HG PRO 14 6.299 -2.197 12.115 95 HD2 PRO 14 2HD PRO 14 7.974 -4.065 10.511 96 HD3 PRO 14 1HD PRO 14 8.134 -2.310 10.703 97 H MET 15 H MET 15 8.950 -5.563 11.551 98 HA MET 15 HA MET 15 9.514 -7.805 13.082 99 HB2 MET 15 1HB MET 15 8.241 -7.711 10.357 100 HB3 MET 15 2HB MET 15 9.037 -9.194 10.959 101 HG2 MET 15 1HG MET 15 6.852 -7.587 11.998 102 HG3 MET 15 2HG MET 15 6.709 -8.968 10.943 103 HE1 MET 15 1HE MET 15 7.348 -11.511 11.761 104 HE2 MET 15 2HE MET 15 8.021 -11.900 13.343 105 HE3 MET 15 3HE MET 15 8.964 -10.951 12.197 106 H GLU 16 H GLU 16 11.218 -6.346 13.119 107 HA GLU 16 HA GLU 16 12.981 -5.258 11.536 108 HB2 GLU 16 1HB GLU 16 13.694 -7.141 13.747 109 HB3 GLU 16 2HB GLU 16 14.874 -6.125 12.943 110 HG2 GLU 16 1HG GLU 16 13.600 -4.144 13.633 111 HG3 GLU 16 2HG GLU 16 12.465 -5.195 14.482 112 H ASN 17 H ASN 17 12.956 -6.012 9.435 113 HA ASN 17 HA ASN 17 13.491 -7.147 7.691 114 HB2 ASN 17 1HB ASN 17 15.051 -5.491 7.969 115 HB3 ASN 17 2HB ASN 17 16.042 -6.546 8.908 116 HD21 ASN 17 1HD2 ASN 17 15.999 -6.900 4.813 117 HD22 ASN 17 2HD2 ASN 17 14.828 -5.991 5.725 118 H GLN 18 H GLN 18 12.803 -8.705 7.685 119 HA GLN 18 HA GLN 18 13.632 -11.189 8.754 120 HB2 GLN 18 1HB GLN 18 11.473 -10.209 6.949 121 HB3 GLN 18 2HB GLN 18 11.584 -11.832 7.566 122 HG2 GLN 18 1HG GLN 18 11.233 -9.307 9.179 123 HG3 GLN 18 2HG GLN 18 9.999 -10.526 8.875 124 HE21 GLN 18 1HE2 GLN 18 12.754 -11.045 11.795 125 HE22 GLN 18 2HE2 GLN 18 12.896 -9.744 10.684 126 HA PRO 19 HA PRO 19 15.664 -13.277 5.115 127 HB2 PRO 19 2HB PRO 19 12.991 -14.605 4.900 128 HB3 PRO 19 1HB PRO 19 14.616 -15.329 4.781 129 HG2 PRO 19 2HG PRO 19 13.277 -15.657 6.977 130 HG3 PRO 19 1HG PRO 19 14.992 -15.201 7.063 131 HD2 PRO 19 2HD PRO 19 12.590 -13.556 7.593 132 HD3 PRO 19 1HD PRO 19 14.199 -13.473 8.340 133 H LYS 20 H LYS 20 15.953 -12.729 3.102 134 HA LYS 20 HA LYS 20 14.999 -10.771 1.658 135 HB2 LYS 20 1HB LYS 20 15.769 -13.471 0.796 136 HB3 LYS 20 2HB LYS 20 16.070 -11.911 0.024 137 HG2 LYS 20 1HG LYS 20 17.714 -11.354 1.452 138 HG3 LYS 20 2HG LYS 20 17.322 -12.369 2.731 139 HD2 LYS 20 1HD LYS 20 18.702 -13.199 0.193 140 HD3 LYS 20 2HD LYS 20 19.084 -13.351 1.928 141 HE2 LYS 20 1HE LYS 20 18.568 -15.424 1.515 142 HE3 LYS 20 2HE LYS 20 17.037 -14.773 2.119 143 HZ1 LYS 20 1HZ LYS 20 16.648 -16.214 0.131 144 HZ2 LYS 20 2HZ LYS 20 17.695 -15.284 -0.784 145 HZ3 LYS 20 3HZ LYS 20 16.242 -14.642 -0.302 146 H LEU 21 H LEU 21 13.531 -10.347 0.591 147 HA LEU 21 HA LEU 21 11.068 -10.904 0.317 148 HB2 LEU 21 1HB LEU 21 13.330 -9.741 -1.074 149 HB3 LEU 21 2HB LEU 21 11.766 -9.613 -1.860 150 HG LEU 21 HG LEU 21 11.038 -8.385 0.151 151 HD11 LEU 21 1HD1 LEU 21 12.041 -7.825 1.831 152 HD12 LEU 21 2HD1 LEU 21 13.659 -8.273 1.140 153 HD13 LEU 21 3HD1 LEU 21 12.439 -9.557 1.583 154 HD21 LEU 21 1HD2 LEU 21 13.560 -7.341 -0.547 155 HD22 LEU 21 2HD2 LEU 21 12.016 -6.493 -0.106 156 HD23 LEU 21 3HD2 LEU 21 12.222 -7.261 -1.731 157 H ASN 22 H ASN 22 13.414 -11.320 -2.073 158 HA ASN 22 HA ASN 22 13.874 -12.592 -3.821 159 HB2 ASN 22 1HB ASN 22 11.967 -14.805 -2.996 160 HB3 ASN 22 2HB ASN 22 13.514 -14.907 -3.779 161 HD21 ASN 22 1HD2 ASN 22 13.321 -15.319 -0.123 162 HD22 ASN 22 2HD2 ASN 22 11.934 -15.135 -1.138 163 H SER 23 H SER 23 11.448 -10.921 -3.318 164 HA SER 23 HA SER 23 10.430 -9.671 -4.939 165 HB2 SER 23 1HB SER 23 9.807 -10.347 -7.225 166 HB3 SER 23 2HB SER 23 11.390 -10.986 -6.863 167 HG SER 23 HG SER 23 10.427 -12.961 -6.381 168 H SER 24 H SER 24 8.424 -9.033 -5.369 169 HA SER 24 HA SER 24 6.455 -8.587 -4.929 170 HB2 SER 24 1HB SER 24 5.906 -11.520 -5.313 171 HB3 SER 24 2HB SER 24 4.716 -10.221 -5.436 172 HG SER 24 HG SER 24 6.712 -10.981 -7.170 173 H LYS 25 H LYS 25 5.669 -11.589 -3.007 174 HA LYS 25 HA LYS 25 4.069 -10.167 -1.352 175 HB2 LYS 25 1HB LYS 25 3.829 -12.379 -1.882 176 HB3 LYS 25 2HB LYS 25 5.460 -12.749 -1.444 177 HG2 LYS 25 1HG LYS 25 5.092 -12.981 0.557 178 HG3 LYS 25 2HG LYS 25 4.243 -11.449 0.665 179 HD2 LYS 25 1HD LYS 25 2.788 -13.213 1.391 180 HD3 LYS 25 2HD LYS 25 2.360 -12.567 -0.229 181 HE2 LYS 25 1HE LYS 25 2.317 -15.115 -0.231 182 HE3 LYS 25 2HE LYS 25 3.407 -14.202 -1.319 183 HZ1 LYS 25 1HZ LYS 25 4.505 -16.240 -0.087 184 HZ2 LYS 25 2HZ LYS 25 4.548 -15.157 1.248 185 HZ3 LYS 25 3HZ LYS 25 5.306 -14.775 -0.080 186 H GLU 26 H GLU 26 6.943 -11.826 -0.720 187 HA GLU 26 HA GLU 26 7.055 -10.829 1.779 188 HB2 GLU 26 1HB GLU 26 9.115 -12.345 0.220 189 HB3 GLU 26 2HB GLU 26 9.592 -11.672 1.762 190 HG2 GLU 26 1HG GLU 26 8.961 -14.047 1.909 191 HG3 GLU 26 2HG GLU 26 7.964 -13.022 2.920 192 H VAL 27 H VAL 27 7.738 -9.099 -0.934 193 HA VAL 27 HA VAL 27 9.698 -7.327 0.354 194 HB VAL 27 HB VAL 27 10.346 -6.631 -1.570 195 HG11 VAL 27 1HG1 VAL 27 8.427 -8.481 -2.648 196 HG12 VAL 27 2HG1 VAL 27 10.081 -8.920 -2.045 197 HG13 VAL 27 3HG1 VAL 27 9.891 -7.888 -3.513 198 HG21 VAL 27 1HG2 VAL 27 8.991 -5.638 -3.211 199 HG22 VAL 27 2HG2 VAL 27 8.480 -5.278 -1.500 200 HG23 VAL 27 3HG2 VAL 27 7.568 -6.456 -2.482 201 H ILE 28 H ILE 28 6.189 -7.616 0.056 202 HA ILE 28 HA ILE 28 5.677 -5.015 0.619 203 HB ILE 28 HB ILE 28 4.580 -7.620 1.405 204 HG12 ILE 28 1HG1 ILE 28 3.450 -7.415 -0.734 205 HG13 ILE 28 2HG1 ILE 28 2.774 -6.373 0.370 206 HG21 ILE 28 1HG2 ILE 28 2.504 -6.505 2.368 207 HG22 ILE 28 2HG2 ILE 28 3.205 -4.942 2.087 208 HG23 ILE 28 3HG2 ILE 28 3.955 -6.036 3.261 209 HD11 ILE 28 1HD1 ILE 28 3.701 -4.363 -0.262 210 HD12 ILE 28 2HD1 ILE 28 3.435 -5.280 -1.807 211 HD13 ILE 28 3HD1 ILE 28 5.005 -5.281 -1.002 212 H ALA 29 H ALA 29 6.453 -7.797 2.367 213 HA ALA 29 HA ALA 29 6.471 -6.859 4.758 214 HB1 ALA 29 1HB ALA 29 8.160 -8.820 3.491 215 HB2 ALA 29 2HB ALA 29 6.541 -9.027 4.160 216 HB3 ALA 29 3HB ALA 29 7.950 -8.734 5.275 217 H PHE 30 H PHE 30 9.196 -6.673 2.455 218 HA PHE 30 HA PHE 30 11.011 -5.466 4.211 219 HB2 PHE 30 2HB PHE 30 12.122 -6.043 2.361 220 HB3 PHE 30 1HB PHE 30 10.637 -5.952 1.374 221 HD1 PHE 30 1HD PHE 30 13.099 -3.722 3.089 222 HD2 PHE 30 2HD PHE 30 10.436 -4.370 -0.222 223 HE1 PHE 30 1HE PHE 30 13.902 -1.732 2.013 224 HE2 PHE 30 2HE PHE 30 11.261 -2.433 -1.208 225 HZ PHE 30 HZ PHE 30 13.005 -1.096 -0.131 226 H LEU 31 H LEU 31 8.654 -4.367 1.860 227 HA LEU 31 HA LEU 31 9.042 -1.710 1.974 228 HB2 LEU 31 1HB LEU 31 6.878 -3.546 1.525 229 HB3 LEU 31 2HB LEU 31 6.351 -1.879 1.422 230 HG LEU 31 HG LEU 31 8.249 -3.466 -0.147 231 HD11 LEU 31 1HD1 LEU 31 6.999 -3.061 -1.778 232 HD12 LEU 31 2HD1 LEU 31 6.427 -1.460 -1.294 233 HD13 LEU 31 3HD1 LEU 31 5.754 -2.976 -0.503 234 HD21 LEU 31 1HD2 LEU 31 9.605 -1.820 0.156 235 HD22 LEU 31 2HD2 LEU 31 8.318 -0.578 0.351 236 HD23 LEU 31 3HD2 LEU 31 8.750 -1.182 -1.264 237 H ALA 32 H ALA 32 7.384 -3.801 3.980 238 HA ALA 32 HA ALA 32 6.130 -1.810 5.640 239 HB1 ALA 32 1HB ALA 32 6.579 -4.648 6.082 240 HB2 ALA 32 2HB ALA 32 5.374 -3.940 4.965 241 HB3 ALA 32 3HB ALA 32 5.224 -3.604 6.684 242 H GLU 33 H GLU 33 9.125 -3.478 5.745 243 HA GLU 33 HA GLU 33 9.368 -3.096 8.520 244 HB2 GLU 33 1HB GLU 33 11.456 -4.303 8.366 245 HB3 GLU 33 2HB GLU 33 10.185 -4.727 7.172 246 HG2 GLU 33 1HG GLU 33 11.162 -3.889 5.459 247 HG3 GLU 33 2HG GLU 33 12.205 -2.815 6.319 248 H ARG 34 H ARG 34 10.207 -1.859 5.746 249 HA ARG 34 HA ARG 34 12.035 0.229 6.324 250 HB2 ARG 34 1HB ARG 34 11.381 -1.459 4.421 251 HB3 ARG 34 2HB ARG 34 10.655 -0.130 3.670 252 HG2 ARG 34 1HG ARG 34 12.821 -0.121 2.864 253 HG3 ARG 34 2HG ARG 34 12.826 0.933 4.342 254 HD2 ARG 34 1HD ARG 34 13.848 -0.541 5.676 255 HD3 ARG 34 2HD ARG 34 13.335 -1.872 4.645 256 HE ARG 34 HE ARG 34 15.188 -0.163 3.346 257 HH11 ARG 34 1HH1 ARG 34 14.992 -3.065 5.505 258 HH12 ARG 34 2HH1 ARG 34 16.596 -3.450 5.318 259 HH21 ARG 34 1HH2 ARG 34 17.352 -0.701 3.154 260 HH22 ARG 34 2HH2 ARG 34 18.070 -2.063 3.928 261 H PHE 35 H PHE 35 8.605 -0.000 5.235 262 HA PHE 35 HA PHE 35 8.210 2.756 6.054 263 HB2 PHE 35 2HB PHE 35 7.420 0.835 4.227 264 HB3 PHE 35 1HB PHE 35 6.193 1.976 4.269 265 HD1 PHE 35 1HD PHE 35 8.270 4.410 4.262 266 HD2 PHE 35 2HD PHE 35 8.231 0.638 2.356 267 HE1 PHE 35 1HE PHE 35 9.850 5.216 2.602 268 HE2 PHE 35 2HE PHE 35 9.705 1.359 0.763 269 HZ PHE 35 HZ PHE 35 10.627 3.626 0.761 270 HA PRO 36 HA PRO 36 5.772 -0.124 9.200 271 HB2 PRO 36 2HB PRO 36 6.284 2.284 10.743 272 HB3 PRO 36 1HB PRO 36 6.710 0.588 11.175 273 HG2 PRO 36 2HG PRO 36 8.266 2.756 10.138 274 HG3 PRO 36 1HG PRO 36 8.793 1.168 10.717 275 HD2 PRO 36 2HD PRO 36 8.984 1.943 8.189 276 HD3 PRO 36 1HD PRO 36 8.769 0.258 8.669 277 H HIS 37 H HIS 37 5.450 2.939 7.712 278 HA HIS 37 HA HIS 37 2.830 3.327 8.924 279 HB2 HIS 37 1HB HIS 37 3.003 5.565 7.435 280 HB3 HIS 37 2HB HIS 37 3.587 5.544 9.120 281 HD1 HIS 37 HD1 HIS 37 6.015 6.330 9.276 282 HD2 HIS 37 HD2 HIS 37 4.873 5.190 5.468 283 HE1 HIS 37 HE1 HIS 37 7.972 6.910 7.832 284 HE2 HIS 37 HE2 HIS 37 7.089 6.583 5.502 285 H CYS 38 H CYS 38 4.187 3.530 5.575 286 HA CYS 38 HA CYS 38 2.002 3.422 4.368 287 HB2 CYS 38 2HB CYS 38 4.625 2.171 3.549 288 HB3 CYS 38 1HB CYS 38 3.329 2.725 2.514 289 HG CYS 38 HG CYS 38 3.802 5.099 2.557 290 H PHE 39 H PHE 39 4.137 0.675 5.275 291 HA PHE 39 HA PHE 39 2.264 -1.192 4.198 292 HB2 PHE 39 2HB PHE 39 5.016 -0.612 4.525 293 HB3 PHE 39 1HB PHE 39 4.887 -2.217 4.200 294 HD1 PHE 39 1HD PHE 39 2.743 -2.052 2.054 295 HD2 PHE 39 2HD PHE 39 6.083 0.302 3.049 296 HE1 PHE 39 1HE PHE 39 2.927 -1.303 -0.256 297 HE2 PHE 39 2HE PHE 39 6.330 1.038 1.051 298 HZ PHE 39 HZ PHE 39 4.704 0.317 -0.875 299 H SER 40 H SER 40 2.289 -3.252 5.329 300 HA SER 40 HA SER 40 2.403 -3.127 8.337 301 HB2 SER 40 1HB SER 40 1.015 -4.830 6.401 302 HB3 SER 40 2HB SER 40 1.047 -5.034 8.159 303 HG SER 40 HG SER 40 0.386 -2.536 7.636 304 H ALA 41 H ALA 41 2.167 -6.099 6.937 305 HA ALA 41 HA ALA 41 3.707 -7.645 6.059 306 HB1 ALA 41 1HB ALA 41 5.398 -6.177 6.108 307 HB2 ALA 41 2HB ALA 41 6.025 -7.583 7.093 308 HB3 ALA 41 3HB ALA 41 5.348 -6.051 7.835 309 H GLU 42 H GLU 42 3.292 -6.181 8.971 310 HA GLU 42 HA GLU 42 2.929 -8.048 10.945 311 HB2 GLU 42 1HB GLU 42 1.896 -5.718 9.934 312 HB3 GLU 42 2HB GLU 42 1.156 -6.186 11.297 313 HG2 GLU 42 1HG GLU 42 3.951 -5.293 10.746 314 HG3 GLU 42 2HG GLU 42 2.866 -4.527 11.913 315 H GLY 43 H GLY 43 1.245 -6.616 8.658 316 HA2 GLY 43 1HA GLY 43 -1.091 -8.073 9.328 317 HA3 GLY 43 2HA GLY 43 -1.242 -6.388 8.880 318 H GLU 44 H GLU 44 -2.710 -8.329 7.595 319 HA GLU 44 HA GLU 44 -2.087 -9.463 5.310 320 HB2 GLU 44 1HB GLU 44 -4.346 -9.124 6.511 321 HB3 GLU 44 2HB GLU 44 -4.412 -7.639 5.571 322 HG2 GLU 44 1HG GLU 44 -4.275 -8.855 3.563 323 HG3 GLU 44 2HG GLU 44 -4.342 -10.399 4.437 324 H ALA 45 H ALA 45 -3.011 -6.019 5.665 325 HA ALA 45 HA ALA 45 -1.225 -5.112 3.706 326 HB1 ALA 45 1HB ALA 45 -4.107 -5.367 2.962 327 HB2 ALA 45 2HB ALA 45 -2.651 -6.104 2.138 328 HB3 ALA 45 3HB ALA 45 -2.909 -4.354 2.105 329 H ARG 46 H ARG 46 -2.152 -2.847 2.942 330 HA ARG 46 HA ARG 46 -3.503 -1.368 4.984 331 HB2 ARG 46 1HB ARG 46 -0.579 -1.432 4.624 332 HB3 ARG 46 2HB ARG 46 -1.264 0.181 4.536 333 HG2 ARG 46 1HG ARG 46 -1.923 -1.647 6.812 334 HG3 ARG 46 2HG ARG 46 -0.441 -0.688 6.803 335 HD2 ARG 46 1HD ARG 46 -3.169 0.513 6.374 336 HD3 ARG 46 2HD ARG 46 -2.427 0.358 7.965 337 HE ARG 46 HE ARG 46 -0.692 1.810 7.272 338 HH11 ARG 46 1HH1 ARG 46 -3.276 1.708 4.826 339 HH12 ARG 46 2HH1 ARG 46 -2.894 3.226 4.183 340 HH21 ARG 46 1HH2 ARG 46 -0.288 3.893 6.444 341 HH22 ARG 46 2HH2 ARG 46 -1.234 4.525 5.153 342 HA PRO 47 HA PRO 47 -4.949 0.465 1.116 343 HB2 PRO 47 2HB PRO 47 -5.102 2.879 2.873 344 HB3 PRO 47 1HB PRO 47 -6.412 2.246 1.851 345 HG2 PRO 47 2HG PRO 47 -6.393 1.925 4.486 346 HG3 PRO 47 1HG PRO 47 -7.042 0.700 3.385 347 HD2 PRO 47 2HD PRO 47 -4.663 0.586 5.070 348 HD3 PRO 47 1HD PRO 47 -5.572 -0.725 4.310 349 H LEU 48 H LEU 48 -3.484 1.168 -0.499 350 HA LEU 48 HA LEU 48 -1.488 3.259 0.191 351 HB2 LEU 48 1HB LEU 48 -1.259 1.008 -1.802 352 HB3 LEU 48 2HB LEU 48 -0.210 2.383 -1.804 353 HG LEU 48 HG LEU 48 0.155 -0.026 -0.453 354 HD11 LEU 48 1HD1 LEU 48 1.788 0.962 -1.458 355 HD12 LEU 48 2HD1 LEU 48 2.149 1.080 0.263 356 HD13 LEU 48 3HD1 LEU 48 1.565 2.497 -0.618 357 HD21 LEU 48 1HD2 LEU 48 -0.161 2.305 1.344 358 HD22 LEU 48 2HD2 LEU 48 0.572 0.723 1.790 359 HD23 LEU 48 3HD2 LEU 48 -1.144 0.832 1.271 360 H LYS 49 H LYS 49 -0.629 4.022 -2.083 361 HA LYS 49 HA LYS 49 -3.030 4.778 -3.561 362 HB2 LYS 49 1HB LYS 49 -0.711 6.011 -2.860 363 HB3 LYS 49 2HB LYS 49 -0.993 6.278 -4.537 364 HG2 LYS 49 1HG LYS 49 -3.113 6.968 -2.484 365 HG3 LYS 49 2HG LYS 49 -2.202 7.957 -3.645 366 HD2 LYS 49 1HD LYS 49 -3.886 5.826 -4.837 367 HD3 LYS 49 2HD LYS 49 -4.688 7.228 -4.137 368 HE2 LYS 49 1HE LYS 49 -2.471 7.339 -6.174 369 HE3 LYS 49 2HE LYS 49 -4.192 7.453 -6.542 370 HZ1 LYS 49 1HZ LYS 49 -3.244 9.694 -6.368 371 HZ2 LYS 49 2HZ LYS 49 -2.663 9.346 -4.825 372 HZ3 LYS 49 3HZ LYS 49 -4.280 9.436 -5.069 373 H ILE 50 H ILE 50 -0.681 2.541 -3.897 374 HA ILE 50 HA ILE 50 0.403 1.509 -5.373 375 HB ILE 50 HB ILE 50 -2.029 2.291 -6.767 376 HG12 ILE 50 1HG1 ILE 50 -0.832 0.015 -5.297 377 HG13 ILE 50 2HG1 ILE 50 -2.428 0.754 -5.236 378 HG21 ILE 50 1HG2 ILE 50 -1.331 0.895 -8.679 379 HG22 ILE 50 2HG2 ILE 50 0.232 0.773 -7.752 380 HG23 ILE 50 3HG2 ILE 50 -0.301 2.351 -8.330 381 HD11 ILE 50 1HD1 ILE 50 -1.329 -1.176 -7.248 382 HD12 ILE 50 2HD1 ILE 50 -2.959 -0.448 -7.339 383 HD13 ILE 50 3HD1 ILE 50 -2.496 -1.520 -5.986 384 H GLY 51 H GLY 51 -0.149 4.516 -6.644 385 HA2 GLY 51 1HA GLY 51 2.206 4.531 -8.341 386 HA3 GLY 51 2HA GLY 51 1.328 5.959 -7.790 387 H ILE 52 H ILE 52 1.786 5.045 -4.803 388 HA ILE 52 HA ILE 52 3.999 5.955 -3.869 389 HB ILE 52 HB ILE 52 2.540 4.856 -2.364 390 HG12 ILE 52 1HG1 ILE 52 5.062 3.522 -2.976 391 HG13 ILE 52 2HG1 ILE 52 4.759 4.739 -1.865 392 HG21 ILE 52 1HG2 ILE 52 1.439 3.238 -3.943 393 HG22 ILE 52 2HG2 ILE 52 2.153 2.404 -2.523 394 HG23 ILE 52 3HG2 ILE 52 3.012 2.412 -4.057 395 HD11 ILE 52 1HD1 ILE 52 3.809 3.250 -0.402 396 HD12 ILE 52 2HD1 ILE 52 4.994 2.235 -1.409 397 HD13 ILE 52 3HD1 ILE 52 3.320 2.220 -1.747 398 H PHE 53 H PHE 53 3.725 2.888 -5.657 399 HA PHE 53 HA PHE 53 5.841 1.552 -4.917 400 HB2 PHE 53 2HB PHE 53 4.486 0.704 -6.310 401 HB3 PHE 53 1HB PHE 53 4.457 2.012 -7.468 402 HD1 PHE 53 1HD PHE 53 6.106 1.938 -9.323 403 HD2 PHE 53 2HD PHE 53 6.372 -0.321 -5.917 404 HE1 PHE 53 1HE PHE 53 8.115 0.613 -10.321 405 HE2 PHE 53 2HE PHE 53 7.992 -1.663 -6.822 406 HZ PHE 53 HZ PHE 53 8.987 -1.263 -8.921 407 H GLN 54 H GLN 54 5.702 3.949 -7.262 408 HA GLN 54 HA GLN 54 8.289 4.297 -8.286 409 HB2 GLN 54 1HB GLN 54 6.062 5.081 -8.983 410 HB3 GLN 54 2HB GLN 54 6.034 5.509 -7.449 411 HG2 GLN 54 1HG GLN 54 7.904 6.977 -8.056 412 HG3 GLN 54 2HG GLN 54 6.665 7.690 -9.287 413 HE21 GLN 54 1HE2 GLN 54 7.026 7.245 -5.577 414 HE22 GLN 54 2HE2 GLN 54 5.618 6.424 -6.076 415 H ASP 55 H ASP 55 7.175 4.950 -5.427 416 HA ASP 55 HA ASP 55 9.013 7.023 -4.882 417 HB2 ASP 55 1HB ASP 55 6.343 6.630 -3.800 418 HB3 ASP 55 2HB ASP 55 7.316 6.019 -2.898 419 H LEU 56 H LEU 56 7.808 4.189 -3.781 420 HA LEU 56 HA LEU 56 9.392 3.241 -1.768 421 HB2 LEU 56 1HB LEU 56 8.001 2.403 -4.219 422 HB3 LEU 56 2HB LEU 56 8.012 2.891 -2.601 423 HG LEU 56 HG LEU 56 8.495 0.281 -2.685 424 HD11 LEU 56 1HD1 LEU 56 6.841 2.293 -1.499 425 HD12 LEU 56 2HD1 LEU 56 8.491 2.070 -0.770 426 HD13 LEU 56 3HD1 LEU 56 7.240 0.774 -0.705 427 HD21 LEU 56 1HD2 LEU 56 6.121 0.586 -2.327 428 HD22 LEU 56 2HD2 LEU 56 6.823 0.441 -3.978 429 HD23 LEU 56 3HD2 LEU 56 6.467 2.088 -3.178 430 H VAL 57 H VAL 57 9.498 3.053 -5.032 431 HA VAL 57 HA VAL 57 11.818 1.710 -5.127 432 HB VAL 57 HB VAL 57 11.997 2.104 -7.456 433 HG11 VAL 57 1HG1 VAL 57 9.186 1.968 -7.116 434 HG12 VAL 57 2HG1 VAL 57 9.993 1.279 -5.765 435 HG13 VAL 57 3HG1 VAL 57 10.342 0.552 -7.428 436 HG21 VAL 57 1HG2 VAL 57 10.262 3.364 -8.542 437 HG22 VAL 57 2HG2 VAL 57 11.466 4.303 -7.546 438 HG23 VAL 57 3HG2 VAL 57 9.841 4.127 -6.970 439 H ASP 58 H ASP 58 11.337 5.133 -5.145 440 HA ASP 58 HA ASP 58 13.577 6.313 -5.862 441 HB2 ASP 58 1HB ASP 58 11.531 6.903 -4.200 442 HB3 ASP 58 2HB ASP 58 12.710 6.414 -3.181 443 H ARG 59 H ARG 59 12.750 4.500 -3.101 444 HA ARG 59 HA ARG 59 15.035 4.791 -1.488 445 HB2 ARG 59 1HB ARG 59 12.332 4.427 -1.402 446 HB3 ARG 59 2HB ARG 59 13.121 3.730 0.058 447 HG2 ARG 59 1HG ARG 59 13.184 5.899 0.890 448 HG3 ARG 59 2HG ARG 59 13.699 6.555 -0.675 449 HD2 ARG 59 1HD ARG 59 11.529 6.524 -1.519 450 HD3 ARG 59 2HD ARG 59 10.858 5.591 -0.216 451 HE ARG 59 HE ARG 59 11.327 7.615 1.147 452 HH11 ARG 59 1HH1 ARG 59 11.485 8.287 -2.265 453 HH12 ARG 59 2HH1 ARG 59 10.104 9.282 -2.347 454 HH21 ARG 59 1HH2 ARG 59 9.473 9.334 1.121 455 HH22 ARG 59 2HH2 ARG 59 9.022 9.890 -0.438 456 H VAL 60 H VAL 60 12.440 2.373 -2.178 457 HA VAL 60 HA VAL 60 13.263 0.604 -0.482 458 HB VAL 60 HB VAL 60 11.795 -0.844 -1.841 459 HG11 VAL 60 1HG1 VAL 60 11.344 1.910 -1.066 460 HG12 VAL 60 2HG1 VAL 60 10.831 0.281 -0.333 461 HG13 VAL 60 3HG1 VAL 60 10.193 0.907 -2.009 462 HG21 VAL 60 1HG2 VAL 60 11.809 -0.379 -3.947 463 HG22 VAL 60 2HG2 VAL 60 12.255 1.252 -3.507 464 HG23 VAL 60 3HG2 VAL 60 10.558 0.829 -3.438 465 H ALA 61 H ALA 61 13.912 0.807 -3.739 466 HA ALA 61 HA ALA 61 13.600 -1.744 -4.254 467 HB1 ALA 61 1HB ALA 61 15.158 0.024 -5.945 468 HB2 ALA 61 2HB ALA 61 13.389 -0.018 -5.666 469 HB3 ALA 61 3HB ALA 61 14.205 -1.430 -6.358 470 H GLY 62 H GLY 62 16.455 -0.681 -4.941 471 HA2 GLY 62 1HA GLY 62 17.209 -3.388 -4.447 472 HA3 GLY 62 2HA GLY 62 18.064 -2.534 -5.657 473 H GLU 63 H GLU 63 17.088 -1.769 -2.634 474 HA GLU 63 HA GLU 63 19.423 -1.080 -1.286 475 HB2 GLU 63 1HB GLU 63 16.767 -2.044 -0.545 476 HB3 GLU 63 2HB GLU 63 17.885 -1.932 0.754 477 HG2 GLU 63 1HG GLU 63 18.064 0.589 -0.268 478 HG3 GLU 63 2HG GLU 63 16.507 0.054 -0.947 479 H MET 64 H MET 64 17.481 -3.863 -1.734 480 HA MET 64 HA MET 64 19.483 -5.693 -0.707 481 HB2 MET 64 1HB MET 64 16.817 -6.387 -0.263 482 HB3 MET 64 2HB MET 64 18.216 -6.796 0.618 483 HG2 MET 64 1HG MET 64 18.255 -4.932 1.907 484 HG3 MET 64 2HG MET 64 17.177 -4.015 0.852 485 HE1 MET 64 1HE MET 64 13.914 -6.056 1.039 486 HE2 MET 64 2HE MET 64 15.238 -5.446 -0.052 487 HE3 MET 64 3HE MET 64 14.326 -4.349 0.952 488 H ASN 65 H ASN 65 16.396 -5.707 -1.731 489 HA ASN 65 HA ASN 65 17.031 -7.936 -3.418 490 HB2 ASN 65 1HB ASN 65 15.212 -7.353 -1.514 491 HB3 ASN 65 2HB ASN 65 14.387 -8.484 -2.278 492 HD21 ASN 65 1HD2 ASN 65 15.944 -9.111 0.794 493 HD22 ASN 65 2HD2 ASN 65 15.266 -7.743 0.202 494 H LEU 66 H LEU 66 16.265 -5.252 -4.558 495 HA LEU 66 HA LEU 66 13.773 -6.057 -6.078 496 HB2 LEU 66 1HB LEU 66 14.545 -4.268 -4.321 497 HB3 LEU 66 2HB LEU 66 13.621 -3.292 -5.323 498 HG LEU 66 HG LEU 66 13.429 -4.874 -2.950 499 HD11 LEU 66 1HD1 LEU 66 11.318 -3.585 -2.689 500 HD12 LEU 66 2HD1 LEU 66 11.827 -2.814 -4.254 501 HD13 LEU 66 3HD1 LEU 66 12.865 -2.742 -2.866 502 HD21 LEU 66 1HD2 LEU 66 11.307 -5.946 -3.208 503 HD22 LEU 66 2HD2 LEU 66 12.720 -6.367 -4.273 504 HD23 LEU 66 3HD2 LEU 66 11.348 -5.499 -4.990 505 H SER 67 H SER 67 13.773 -5.734 -7.896 506 HA SER 67 HA SER 67 15.539 -3.884 -9.330 507 HB2 SER 67 1HB SER 67 15.708 -6.194 -9.869 508 HB3 SER 67 2HB SER 67 13.957 -6.346 -9.922 509 HG SER 67 HG SER 67 14.269 -4.697 -11.772 510 H LYS 68 H LYS 68 13.171 -3.030 -7.853 511 HA LYS 68 HA LYS 68 11.141 -1.905 -7.830 512 HB2 LYS 68 1HB LYS 68 11.110 -1.363 -10.631 513 HB3 LYS 68 2HB LYS 68 10.532 -0.314 -9.404 514 HG2 LYS 68 1HG LYS 68 13.237 -0.502 -10.612 515 HG3 LYS 68 2HG LYS 68 12.251 0.925 -10.256 516 HD2 LYS 68 1HD LYS 68 12.599 0.520 -7.859 517 HD3 LYS 68 2HD LYS 68 13.165 -0.962 -8.451 518 HE2 LYS 68 1HE LYS 68 15.190 0.455 -7.860 519 HE3 LYS 68 2HE LYS 68 15.090 0.316 -9.611 520 HZ1 LYS 68 1HZ LYS 68 13.956 2.506 -9.659 521 HZ2 LYS 68 2HZ LYS 68 15.504 2.603 -9.001 522 HZ3 LYS 68 3HZ LYS 68 14.177 2.652 -7.984 523 H THR 69 H THR 69 11.232 -4.012 -10.723 524 HA THR 69 HA THR 69 8.475 -3.687 -10.851 525 HB THR 69 HB THR 69 8.567 -5.131 -12.407 526 HG1 THR 69 1HG THR 69 10.815 -6.145 -13.002 527 HG21 THR 69 1HG2 THR 69 9.228 -2.949 -13.039 528 HG22 THR 69 2HG2 THR 69 10.313 -4.034 -13.964 529 HG23 THR 69 3HG2 THR 69 10.845 -3.308 -12.427 530 H GLN 70 H GLN 70 10.624 -5.787 -9.497 531 HA GLN 70 HA GLN 70 8.729 -7.886 -8.873 532 HB2 GLN 70 1HB GLN 70 10.512 -8.648 -7.330 533 HB3 GLN 70 2HB GLN 70 11.115 -8.509 -8.954 534 HG2 GLN 70 1HG GLN 70 12.047 -6.400 -8.402 535 HG3 GLN 70 2HG GLN 70 11.192 -6.694 -6.859 536 HE21 GLN 70 1HE2 GLN 70 13.228 -8.716 -5.527 537 HE22 GLN 70 2HE2 GLN 70 11.637 -8.065 -5.568 538 H LEU 71 H LEU 71 9.365 -4.868 -7.703 539 HA LEU 71 HA LEU 71 8.172 -5.197 -5.046 540 HB2 LEU 71 1HB LEU 71 10.297 -3.882 -5.646 541 HB3 LEU 71 2HB LEU 71 9.384 -2.805 -6.507 542 HG LEU 71 HG LEU 71 10.059 -2.895 -3.859 543 HD11 LEU 71 1HD1 LEU 71 8.515 -0.830 -5.267 544 HD12 LEU 71 2HD1 LEU 71 10.278 -1.054 -5.358 545 HD13 LEU 71 3HD1 LEU 71 9.565 -0.629 -3.836 546 HD21 LEU 71 1HD2 LEU 71 7.932 -2.016 -3.022 547 HD22 LEU 71 2HD2 LEU 71 8.195 -3.775 -3.147 548 HD23 LEU 71 3HD2 LEU 71 7.207 -2.939 -4.352 549 H ARG 72 H ARG 72 7.668 -3.724 -8.240 550 HA ARG 72 HA ARG 72 5.424 -2.337 -7.383 551 HB2 ARG 72 1HB ARG 72 4.886 -2.002 -9.875 552 HB3 ARG 72 2HB ARG 72 6.611 -1.857 -9.498 553 HG2 ARG 72 1HG ARG 72 6.716 -3.044 -11.341 554 HG3 ARG 72 2HG ARG 72 6.772 -4.144 -9.894 555 HD2 ARG 72 1HD ARG 72 5.324 -5.269 -11.480 556 HD3 ARG 72 2HD ARG 72 4.408 -4.420 -10.197 557 HE ARG 72 HE ARG 72 4.449 -2.620 -12.179 558 HH11 ARG 72 1HH1 ARG 72 3.387 -6.018 -12.093 559 HH12 ARG 72 2HH1 ARG 72 2.268 -5.881 -13.353 560 HH21 ARG 72 1HH2 ARG 72 2.856 -2.410 -13.988 561 HH22 ARG 72 2HH2 ARG 72 1.964 -3.767 -14.452 562 H SER 73 H SER 73 6.043 -5.446 -8.210 563 HA SER 73 HA SER 73 3.512 -6.361 -8.816 564 HB2 SER 73 1HB SER 73 5.238 -6.957 -9.762 565 HB3 SER 73 2HB SER 73 6.195 -7.245 -8.422 566 HG SER 73 HG SER 73 5.241 -9.327 -8.198 567 H ALA 74 H ALA 74 5.304 -5.783 -6.242 568 HA ALA 74 HA ALA 74 3.920 -7.499 -4.230 569 HB1 ALA 74 1HB ALA 74 5.259 -6.209 -2.596 570 HB2 ALA 74 2HB ALA 74 5.823 -5.175 -3.902 571 HB3 ALA 74 3HB ALA 74 6.281 -6.865 -3.862 572 H LEU 75 H LEU 75 3.706 -4.736 -5.766 573 HA LEU 75 HA LEU 75 2.053 -3.430 -3.793 574 HB2 LEU 75 1HB LEU 75 4.097 -3.351 -4.887 575 HB3 LEU 75 2HB LEU 75 3.759 -2.331 -6.051 576 HG LEU 75 HG LEU 75 3.716 -2.142 -3.007 577 HD11 LEU 75 1HD1 LEU 75 5.074 -0.397 -4.775 578 HD12 LEU 75 2HD1 LEU 75 5.643 -2.074 -4.851 579 HD13 LEU 75 3HD1 LEU 75 5.696 -1.156 -3.317 580 HD21 LEU 75 1HD2 LEU 75 2.020 -0.502 -4.151 581 HD22 LEU 75 2HD2 LEU 75 3.613 0.325 -4.564 582 HD23 LEU 75 3HD2 LEU 75 3.180 -0.015 -2.913 583 H ARG 76 H ARG 76 1.734 -5.259 -6.462 584 HA ARG 76 HA ARG 76 -0.944 -4.233 -6.838 585 HB2 ARG 76 1HB ARG 76 0.679 -6.041 -8.603 586 HB3 ARG 76 2HB ARG 76 -1.065 -6.129 -8.668 587 HG2 ARG 76 1HG ARG 76 -0.310 -4.750 -10.471 588 HG3 ARG 76 2HG ARG 76 -1.095 -3.704 -9.284 589 HD2 ARG 76 1HD ARG 76 1.499 -4.221 -8.690 590 HD3 ARG 76 2HD ARG 76 1.516 -3.375 -10.304 591 HE ARG 76 HE ARG 76 0.347 -2.482 -7.726 592 HH11 ARG 76 1HH1 ARG 76 2.103 -1.513 -10.601 593 HH12 ARG 76 2HH1 ARG 76 2.812 -0.115 -9.898 594 HH21 ARG 76 1HH2 ARG 76 1.357 -0.713 -6.724 595 HH22 ARG 76 2HH2 ARG 76 2.345 0.393 -7.562 596 H LEU 77 H LEU 77 1.087 -6.572 -5.554 597 HA LEU 77 HA LEU 77 -0.420 -8.947 -5.509 598 HB2 LEU 77 1HB LEU 77 2.183 -8.523 -4.949 599 HB3 LEU 77 2HB LEU 77 1.630 -8.033 -3.574 600 HG LEU 77 HG LEU 77 0.397 -10.438 -3.698 601 HD11 LEU 77 1HD1 LEU 77 2.429 -10.781 -5.307 602 HD12 LEU 77 2HD1 LEU 77 2.565 -11.695 -3.755 603 HD13 LEU 77 3HD1 LEU 77 3.304 -10.079 -3.928 604 HD21 LEU 77 1HD2 LEU 77 1.935 -10.587 -1.716 605 HD22 LEU 77 2HD2 LEU 77 0.963 -9.072 -1.864 606 HD23 LEU 77 3HD2 LEU 77 2.625 -9.145 -2.525 607 H TYR 78 H TYR 78 0.577 -6.864 -2.916 608 HA TYR 78 HA TYR 78 -1.326 -8.166 -1.340 609 HB2 TYR 78 2HB TYR 78 -0.417 -7.313 0.606 610 HB3 TYR 78 1HB TYR 78 0.973 -7.280 -0.402 611 HD1 TYR 78 1HD TYR 78 -0.215 -5.855 2.055 612 HD2 TYR 78 2HD TYR 78 0.681 -4.865 -1.904 613 HE1 TYR 78 1HE TYR 78 0.030 -3.610 2.726 614 HE2 TYR 78 2HE TYR 78 0.880 -2.539 -1.331 615 HH TYR 78 HH TYR 78 0.615 -1.699 2.144 616 H THR 79 H THR 79 -1.190 -5.644 -3.314 617 HA THR 79 HA THR 79 -3.237 -3.971 -2.082 618 HB THR 79 HB THR 79 -3.014 -2.468 -3.877 619 HG1 THR 79 1HG THR 79 -3.074 -3.987 -5.609 620 HG21 THR 79 1HG2 THR 79 -0.610 -2.148 -3.924 621 HG22 THR 79 2HG2 THR 79 -0.438 -3.840 -3.408 622 HG23 THR 79 3HG2 THR 79 -1.213 -2.688 -2.334 623 H SER 80 H SER 80 -3.189 -6.758 -3.992 624 HA SER 80 HA SER 80 -5.914 -6.429 -4.863 625 HB2 SER 80 1HB SER 80 -4.031 -8.810 -5.022 626 HB3 SER 80 2HB SER 80 -5.667 -8.790 -5.677 627 HG SER 80 HG SER 80 -3.440 -7.231 -6.459 628 H SER 81 H SER 81 -4.432 -6.857 -1.992 629 HA SER 81 HA SER 81 -6.264 -8.799 -0.949 630 HB2 SER 81 1HB SER 81 -4.460 -8.840 0.403 631 HB3 SER 81 2HB SER 81 -4.105 -7.091 0.191 632 HG SER 81 HG SER 81 -5.735 -8.424 2.100 633 H TRP 82 H TRP 82 -7.665 -8.182 0.564 634 HA TRP 82 HA TRP 82 -9.350 -5.819 -0.286 635 HB2 TRP 82 2HB TRP 82 -10.138 -8.373 0.819 636 HB3 TRP 82 1HB TRP 82 -10.247 -7.173 2.060 637 HD1 TRP 82 1HD TRP 82 -10.705 -6.121 -1.377 638 HE1 TRP 82 1HE TRP 82 -13.121 -5.594 -1.740 639 HE3 TRP 82 3HE TRP 82 -12.477 -8.108 2.846 640 HZ2 TRP 82 2HZ TRP 82 -15.469 -5.908 -0.415 641 HZ3 TRP 82 3HZ TRP 82 -14.845 -8.018 3.228 642 HH2 TRP 82 2HH TRP 82 -16.351 -6.913 1.508 643 H ARG 83 H ARG 83 -7.725 -6.902 2.355 644 HA ARG 83 HA ARG 83 -8.328 -4.802 4.154 645 HB2 ARG 83 1HB ARG 83 -7.442 -6.437 4.905 646 HB3 ARG 83 2HB ARG 83 -5.951 -6.634 3.900 647 HG2 ARG 83 1HG ARG 83 -5.031 -5.840 5.900 648 HG3 ARG 83 2HG ARG 83 -5.760 -4.290 5.458 649 HD2 ARG 83 1HD ARG 83 -6.521 -5.030 7.666 650 HD3 ARG 83 2HD ARG 83 -7.733 -4.882 6.346 651 HE ARG 83 HE ARG 83 -6.851 -7.525 6.324 652 HH11 ARG 83 1HH1 ARG 83 -8.772 -5.624 8.596 653 HH12 ARG 83 2HH1 ARG 83 -9.726 -6.960 9.070 654 HH21 ARG 83 1HH2 ARG 83 -8.016 -9.196 6.871 655 HH22 ARG 83 2HH2 ARG 83 -9.281 -9.169 8.035 656 H TYR 84 H TYR 84 -6.365 -4.917 1.504 657 HA TYR 84 HA TYR 84 -4.947 -2.578 1.846 658 HB2 TYR 84 2HB TYR 84 -4.418 -4.293 0.223 659 HB3 TYR 84 1HB TYR 84 -5.959 -4.029 -0.555 660 HD1 TYR 84 1HD TYR 84 -2.781 -2.460 0.246 661 HD2 TYR 84 2HD TYR 84 -6.348 -2.411 -2.006 662 HE1 TYR 84 1HE TYR 84 -1.861 -0.675 -1.022 663 HE2 TYR 84 2HE TYR 84 -5.485 -0.631 -3.406 664 HH TYR 84 HH TYR 84 -3.757 1.187 -3.259 665 H LEU 85 H LEU 85 -7.665 -3.204 -0.265 666 HA LEU 85 HA LEU 85 -8.320 -0.487 -0.324 667 HB2 LEU 85 1HB LEU 85 -10.235 -0.993 -1.625 668 HB3 LEU 85 2HB LEU 85 -8.544 -1.181 -2.305 669 HG LEU 85 HG LEU 85 -10.281 -2.738 -3.275 670 HD11 LEU 85 1HD1 LEU 85 -8.016 -3.521 -2.857 671 HD12 LEU 85 2HD1 LEU 85 -9.265 -4.811 -2.755 672 HD13 LEU 85 3HD1 LEU 85 -8.611 -4.055 -1.281 673 HD21 LEU 85 1HD2 LEU 85 -11.460 -4.256 -1.821 674 HD22 LEU 85 2HD2 LEU 85 -11.748 -2.562 -1.302 675 HD23 LEU 85 3HD2 LEU 85 -10.547 -3.559 -0.482 676 H TYR 86 H TYR 86 -8.836 -1.600 2.016 677 HA TYR 86 HA TYR 86 -11.543 -1.563 2.590 678 HB2 TYR 86 2HB TYR 86 -9.093 -1.435 3.628 679 HB3 TYR 86 1HB TYR 86 -10.171 -0.877 4.859 680 HD1 TYR 86 1HD TYR 86 -10.604 -3.443 2.332 681 HD2 TYR 86 2HD TYR 86 -9.817 -3.018 6.470 682 HE1 TYR 86 1HE TYR 86 -11.094 -5.546 2.561 683 HE2 TYR 86 2HE TYR 86 -10.319 -5.325 6.810 684 HH TYR 86 HH TYR 86 -10.638 -7.526 4.235 685 H GLY 87 H GLY 87 -9.239 0.549 1.643 686 HA2 GLY 87 1HA GLY 87 -10.572 2.889 1.336 687 HA3 GLY 87 2HA GLY 87 -9.670 3.117 2.860 688 H VAL 88 H VAL 88 -9.757 2.373 -0.552 689 HA VAL 88 HA VAL 88 -7.239 3.784 -0.795 690 HB VAL 88 HB VAL 88 -7.792 1.210 -2.171 691 HG11 VAL 88 1HG1 VAL 88 -5.360 3.085 -2.239 692 HG12 VAL 88 2HG1 VAL 88 -6.482 2.788 -3.563 693 HG13 VAL 88 3HG1 VAL 88 -5.420 1.494 -3.007 694 HG21 VAL 88 1HG2 VAL 88 -7.242 1.088 0.162 695 HG22 VAL 88 2HG2 VAL 88 -5.735 1.920 -0.174 696 HG23 VAL 88 3HG2 VAL 88 -6.046 0.281 -0.858 697 H LYS 89 H LYS 89 -7.906 5.301 -2.270 698 HA LYS 89 HA LYS 89 -7.542 4.911 -4.784 699 HB2 LYS 89 1HB LYS 89 -9.740 5.641 -6.019 700 HB3 LYS 89 2HB LYS 89 -9.474 3.962 -5.629 701 HG2 LYS 89 1HG LYS 89 -11.038 4.291 -3.659 702 HG3 LYS 89 2HG LYS 89 -11.371 5.899 -4.325 703 HD2 LYS 89 1HD LYS 89 -13.003 4.072 -4.966 704 HD3 LYS 89 2HD LYS 89 -12.346 5.056 -6.269 705 HE2 LYS 89 1HE LYS 89 -12.462 2.593 -6.761 706 HE3 LYS 89 2HE LYS 89 -10.864 3.289 -6.960 707 HZ1 LYS 89 1HZ LYS 89 -10.783 1.138 -5.794 708 HZ2 LYS 89 2HZ LYS 89 -11.790 1.754 -4.577 709 HZ3 LYS 89 3HZ LYS 89 -10.275 2.369 -4.754 710 HA PRO 90 HA PRO 90 -7.623 9.346 -3.902 711 HB2 PRO 90 2HB PRO 90 -8.941 9.745 -1.468 712 HB3 PRO 90 1HB PRO 90 -9.459 10.487 -3.019 713 HG2 PRO 90 2HG PRO 90 -11.044 8.762 -1.692 714 HG3 PRO 90 1HG PRO 90 -10.936 8.732 -3.468 715 HD2 PRO 90 2HD PRO 90 -9.457 7.052 -1.499 716 HD3 PRO 90 1HD PRO 90 -10.375 6.511 -2.911 717 H GLY 91 H GLY 91 -7.440 10.404 -1.198 718 HA2 GLY 91 1HA GLY 91 -5.249 9.253 -0.804 719 HA3 GLY 91 2HA GLY 91 -5.484 10.697 0.116 720 H ALA 92 H ALA 92 -7.055 8.151 -0.200 721 HA ALA 92 HA ALA 92 -7.740 6.895 2.269 722 HB1 ALA 92 1HB ALA 92 -8.239 4.930 0.687 723 HB2 ALA 92 2HB ALA 92 -7.583 6.076 -0.524 724 HB3 ALA 92 3HB ALA 92 -8.987 6.530 0.419 725 H THR 93 H THR 93 -5.417 6.337 0.040 726 HA THR 93 HA THR 93 -3.797 4.356 0.760 727 HB THR 93 HB THR 93 -3.135 5.645 -1.070 728 HG1 THR 93 1HG THR 93 -1.081 6.497 -0.507 729 HG21 THR 93 1HG2 THR 93 -3.397 8.068 0.680 730 HG22 THR 93 2HG2 THR 93 -4.364 7.519 -0.653 731 HG23 THR 93 3HG2 THR 93 -2.705 8.090 -0.929 732 H ARG 94 H ARG 94 -3.980 7.534 2.176 733 HA ARG 94 HA ARG 94 -2.935 8.638 3.748 734 HB2 ARG 94 1HB ARG 94 -3.032 5.955 4.951 735 HB3 ARG 94 2HB ARG 94 -2.099 7.349 5.582 736 HG2 ARG 94 1HG ARG 94 -4.236 7.284 6.772 737 HG3 ARG 94 2HG ARG 94 -4.327 8.594 5.606 738 HD2 ARG 94 1HD ARG 94 -5.784 7.128 4.094 739 HD3 ARG 94 2HD ARG 94 -5.407 5.827 5.187 740 HE ARG 94 HE ARG 94 -6.535 7.918 6.650 741 HH11 ARG 94 1HH1 ARG 94 -7.381 5.413 4.342 742 HH12 ARG 94 2HH1 ARG 94 -8.899 5.052 5.030 743 HH21 ARG 94 1HH2 ARG 94 -8.493 7.455 7.693 744 HH22 ARG 94 2HH2 ARG 94 -9.579 6.296 7.066 745 H VAL 95 H VAL 95 -1.148 6.811 1.676 746 HA VAL 95 HA VAL 95 1.199 7.927 2.800 747 HB VAL 95 HB VAL 95 2.346 6.089 3.163 748 HG11 VAL 95 1HG1 VAL 95 -0.374 5.353 3.270 749 HG12 VAL 95 2HG1 VAL 95 0.972 5.242 4.525 750 HG13 VAL 95 3HG1 VAL 95 0.745 3.999 3.243 751 HG21 VAL 95 1HG2 VAL 95 1.074 4.815 0.792 752 HG22 VAL 95 2HG2 VAL 95 2.387 4.147 1.862 753 HG23 VAL 95 3HG2 VAL 95 2.602 5.713 1.024 754 H ASP 96 H ASP 96 2.516 8.273 1.580 755 HA ASP 96 HA ASP 96 3.450 7.012 -0.833 756 HB2 ASP 96 1HB ASP 96 2.625 9.926 -1.031 757 HB3 ASP 96 2HB ASP 96 4.074 9.389 -1.876 758 H LEU 97 H LEU 97 4.219 6.271 0.782 759 HA LEU 97 HA LEU 97 5.283 5.907 2.467 760 HB2 LEU 97 1HB LEU 97 7.792 5.787 0.955 761 HB3 LEU 97 2HB LEU 97 6.954 4.912 2.085 762 HG LEU 97 HG LEU 97 5.226 5.116 0.063 763 HD11 LEU 97 1HD1 LEU 97 7.381 5.771 -1.106 764 HD12 LEU 97 2HD1 LEU 97 6.652 4.260 -1.697 765 HD13 LEU 97 3HD1 LEU 97 8.024 4.218 -0.576 766 HD21 LEU 97 1HD2 LEU 97 5.763 2.848 0.023 767 HD22 LEU 97 2HD2 LEU 97 5.559 3.463 1.721 768 HD23 LEU 97 3HD2 LEU 97 7.233 3.443 0.884 769 H ASP 98 H ASP 98 5.407 8.921 2.247 770 HA ASP 98 HA ASP 98 7.110 9.419 4.470 771 HB2 ASP 98 1HB ASP 98 6.281 11.173 2.677 772 HB3 ASP 98 2HB ASP 98 4.729 10.909 3.472 773 H GLY 99 H GLY 99 3.938 8.902 3.409 774 HA2 GLY 99 1HA GLY 99 2.343 7.719 4.387 775 HA3 GLY 99 2HA GLY 99 2.853 7.982 5.954 776 H ASN 100 H ASN 100 2.267 10.046 3.148 777 HA ASN 100 HA ASN 100 0.308 11.924 4.232 778 HB2 ASN 100 1HB ASN 100 2.340 11.549 2.117 779 HB3 ASN 100 2HB ASN 100 1.138 12.661 1.733 780 HD21 ASN 100 1HD2 ASN 100 3.938 14.175 3.030 781 HD22 ASN 100 2HD2 ASN 100 3.690 13.079 1.721 782 HA PRO 101 HA PRO 101 -2.494 9.156 2.067 783 HB2 PRO 101 2HB PRO 101 -4.158 11.580 1.601 784 HB3 PRO 101 1HB PRO 101 -4.434 10.181 2.552 785 HG2 PRO 101 2HG PRO 101 -3.836 12.453 3.828 786 HG3 PRO 101 1HG PRO 101 -2.937 10.978 4.345 787 HD2 PRO 101 2HD PRO 101 -2.358 12.697 2.164 788 HD3 PRO 101 1HD PRO 101 -1.269 12.875 3.430 789 H CYS 102 H CYS 102 -0.751 9.245 0.473 790 HA CYS 102 HA CYS 102 0.450 10.030 -1.194 791 HB2 CYS 102 2HB CYS 102 -0.576 8.734 -2.493 792 HB3 CYS 102 1HB CYS 102 -2.196 9.154 -2.403 793 HG CYS 102 HG CYS 102 0.413 10.097 -4.190 794 H GLY 103 H GLY 103 -1.106 11.771 0.445 795 HA2 GLY 103 1HA GLY 103 -0.913 14.048 1.205 796 HA3 GLY 103 2HA GLY 103 0.033 14.312 -0.246 797 H GLU 104 H GLU 104 -2.523 12.765 -0.782 798 HA GLU 104 HA GLU 104 -3.786 14.689 -2.442 799 HB2 GLU 104 1HB GLU 104 -3.668 12.726 -3.609 800 HB3 GLU 104 2HB GLU 104 -3.332 11.935 -2.070 801 HG2 GLU 104 1HG GLU 104 -5.316 11.414 -1.593 802 HG3 GLU 104 2HG GLU 104 -6.109 12.419 -2.884 803 H LEU 105 H LEU 105 -4.659 12.752 0.536 804 HA LEU 105 HA LEU 105 -6.956 14.529 0.725 805 HB2 LEU 105 1HB LEU 105 -7.338 12.122 -0.472 806 HB3 LEU 105 2HB LEU 105 -7.235 11.661 1.102 807 HG LEU 105 HG LEU 105 -9.105 13.917 0.689 808 HD11 LEU 105 1HD1 LEU 105 -10.672 11.737 0.424 809 HD12 LEU 105 2HD1 LEU 105 -9.186 11.345 -0.525 810 HD13 LEU 105 3HD1 LEU 105 -10.145 12.797 -0.954 811 HD21 LEU 105 1HD2 LEU 105 -8.232 12.227 2.471 812 HD22 LEU 105 2HD2 LEU 105 -9.942 11.659 2.155 813 HD23 LEU 105 3HD2 LEU 105 -9.530 13.340 2.602 814 H ASP 106 H ASP 106 -7.953 14.435 2.594 815 HA ASP 106 HA ASP 106 -6.701 14.408 5.202 816 HB2 ASP 106 1HB ASP 106 -8.453 16.079 4.603 817 HB3 ASP 106 2HB ASP 106 -9.288 14.890 3.705 818 H GLU 107 H GLU 107 -8.946 13.098 6.274 819 HA GLU 107 HA GLU 107 -9.160 10.476 4.928 820 HB2 GLU 107 1HB GLU 107 -8.478 9.255 6.721 821 HB3 GLU 107 2HB GLU 107 -7.772 10.873 7.032 822 HG2 GLU 107 1HG GLU 107 -9.233 11.450 8.615 823 HG3 GLU 107 2HG GLU 107 -10.448 10.442 7.966 824 H GLN 108 H GLN 108 -10.849 12.970 5.840 825 HA GLN 108 HA GLN 108 -13.324 11.454 6.222 826 HB2 GLN 108 1HB GLN 108 -12.502 13.421 7.761 827 HB3 GLN 108 2HB GLN 108 -12.933 14.337 6.308 828 HG2 GLN 108 1HG GLN 108 -15.146 13.644 6.370 829 HG3 GLN 108 2HG GLN 108 -14.710 12.353 7.504 830 HE21 GLN 108 1HE2 GLN 108 -14.270 15.182 10.016 831 HE22 GLN 108 2HE2 GLN 108 -13.136 14.166 9.200 832 H HIS 109 H HIS 109 -11.306 12.196 3.963 833 HA HIS 109 HA HIS 109 -13.708 12.051 2.404 834 HB2 HIS 109 1HB HIS 109 -11.153 13.017 1.857 835 HB3 HIS 109 2HB HIS 109 -12.425 13.253 0.590 836 HD1 HIS 109 HD1 HIS 109 -14.499 14.546 2.842 837 HD2 HIS 109 HD2 HIS 109 -10.589 15.808 2.200 838 HE1 HIS 109 HE1 HIS 109 -14.376 16.849 3.786 839 HE2 HIS 109 HE2 HIS 109 -11.913 17.230 3.872 840 H VAL 110 H VAL 110 -10.912 10.769 3.186 841 HA VAL 110 HA VAL 110 -11.431 9.071 1.143 842 HB VAL 110 HB VAL 110 -9.458 7.604 1.996 843 HG11 VAL 110 1HG1 VAL 110 -9.759 8.996 0.082 844 HG12 VAL 110 2HG1 VAL 110 -8.111 9.378 0.698 845 HG13 VAL 110 3HG1 VAL 110 -9.512 10.395 1.091 846 HG21 VAL 110 1HG2 VAL 110 -9.095 10.264 3.146 847 HG22 VAL 110 2HG2 VAL 110 -7.861 8.975 3.170 848 HG23 VAL 110 3HG2 VAL 110 -9.376 8.807 4.133 849 H GLU 111 H GLU 111 -12.462 9.699 3.457 850 HA GLU 111 HA GLU 111 -13.487 7.685 5.142 851 HB2 GLU 111 1HB GLU 111 -13.570 9.877 5.602 852 HB3 GLU 111 2HB GLU 111 -14.298 10.568 4.491 853 HG2 GLU 111 1HG GLU 111 -15.562 8.286 5.650 854 HG3 GLU 111 2HG GLU 111 -15.745 9.835 6.558 855 H HIS 112 H HIS 112 -14.309 8.997 2.060 856 HA HIS 112 HA HIS 112 -16.410 7.127 1.676 857 HB2 HIS 112 1HB HIS 112 -14.901 8.886 0.022 858 HB3 HIS 112 2HB HIS 112 -16.367 8.116 -0.669 859 HD1 HIS 112 HD1 HIS 112 -18.708 8.999 0.444 860 HD2 HIS 112 HD2 HIS 112 -15.321 11.058 1.600 861 HE1 HIS 112 HE1 HIS 112 -19.556 10.984 1.706 862 HE2 HIS 112 HE2 HIS 112 -17.460 11.555 2.899 863 H ALA 113 H ALA 113 -13.217 7.076 1.367 864 HA ALA 113 HA ALA 113 -13.230 5.052 -0.485 865 HB1 ALA 113 1HB ALA 113 -11.132 5.643 1.295 866 HB2 ALA 113 2HB ALA 113 -11.741 6.937 0.232 867 HB3 ALA 113 3HB ALA 113 -11.000 5.413 -0.495 868 H ARG 114 H ARG 114 -13.196 5.643 2.788 869 HA ARG 114 HA ARG 114 -12.312 3.265 3.642 870 HB2 ARG 114 1HB ARG 114 -12.587 5.513 4.941 871 HB3 ARG 114 2HB ARG 114 -14.224 4.999 5.188 872 HG2 ARG 114 1HG ARG 114 -13.397 2.956 6.342 873 HG3 ARG 114 2HG ARG 114 -11.771 3.636 6.251 874 HD2 ARG 114 1HD ARG 114 -14.156 4.669 7.772 875 HD3 ARG 114 2HD ARG 114 -12.555 4.263 8.385 876 HE ARG 114 HE ARG 114 -13.002 6.521 6.572 877 HH11 ARG 114 1HH1 ARG 114 -11.590 5.357 9.665 878 HH12 ARG 114 2HH1 ARG 114 -11.002 6.921 10.056 879 HH21 ARG 114 1HH2 ARG 114 -12.133 8.678 7.310 880 HH22 ARG 114 2HH2 ARG 114 -11.309 8.660 8.804 881 H LYS 115 H LYS 115 -15.253 4.461 2.185 882 HA LYS 115 HA LYS 115 -16.966 2.566 3.374 883 HB2 LYS 115 1HB LYS 115 -18.591 4.289 3.332 884 HB3 LYS 115 2HB LYS 115 -17.092 5.217 3.330 885 HG2 LYS 115 1HG LYS 115 -18.039 6.376 1.733 886 HG3 LYS 115 2HG LYS 115 -17.456 5.039 0.691 887 HD2 LYS 115 1HD LYS 115 -20.195 5.213 1.993 888 HD3 LYS 115 2HD LYS 115 -19.857 5.825 0.371 889 HE2 LYS 115 1HE LYS 115 -19.342 3.776 -0.432 890 HE3 LYS 115 2HE LYS 115 -19.089 3.130 1.190 891 HZ1 LYS 115 1HZ LYS 115 -21.607 3.142 1.434 892 HZ2 LYS 115 2HZ LYS 115 -21.150 2.347 -0.000 893 HZ3 LYS 115 3HZ LYS 115 -21.720 3.867 -0.109 894 H GLN 116 H GLN 116 -15.193 3.574 0.491 895 HA GLN 116 HA GLN 116 -16.876 2.248 -0.938 896 HB2 GLN 116 1HB GLN 116 -15.127 2.050 -2.816 897 HB3 GLN 116 2HB GLN 116 -15.506 3.651 -2.191 898 HG2 GLN 116 1HG GLN 116 -13.282 3.767 -2.180 899 HG3 GLN 116 2HG GLN 116 -13.665 3.108 -0.563 900 HE21 GLN 116 1HE2 GLN 116 -12.093 -0.024 -1.204 901 HE22 GLN 116 2HE2 GLN 116 -13.264 0.796 -0.279 902 H LEU 117 H LEU 117 -14.798 0.810 1.203 903 HA LEU 117 HA LEU 117 -15.016 -1.824 0.127 904 HB2 LEU 117 1HB LEU 117 -13.248 -1.685 1.077 905 HB3 LEU 117 2HB LEU 117 -13.149 -0.813 2.412 906 HG LEU 117 HG LEU 117 -15.084 -2.853 2.482 907 HD11 LEU 117 1HD1 LEU 117 -12.307 -3.145 1.857 908 HD12 LEU 117 2HD1 LEU 117 -13.696 -3.709 0.845 909 HD13 LEU 117 3HD1 LEU 117 -13.166 -4.666 2.246 910 HD21 LEU 117 1HD2 LEU 117 -13.808 -3.596 4.519 911 HD22 LEU 117 2HD2 LEU 117 -14.327 -1.912 4.561 912 HD23 LEU 117 3HD2 LEU 117 -12.649 -2.310 4.194 913 H GLU 118 H GLU 118 -17.095 0.328 1.792 914 HA GLU 118 HA GLU 118 -18.504 -1.895 2.628 915 HB2 GLU 118 1HB GLU 118 -18.402 0.040 4.203 916 HB3 GLU 118 2HB GLU 118 -19.171 1.056 2.995 917 HG2 GLU 118 1HG GLU 118 -20.752 0.405 4.759 918 HG3 GLU 118 2HG GLU 118 -21.241 -0.239 3.192 919 H GLU 119 H GLU 119 -17.850 -0.641 0.020 920 HA GLU 119 HA GLU 119 -20.398 -0.743 -1.227 921 HB2 GLU 119 1HB GLU 119 -17.660 -0.274 -2.287 922 HB3 GLU 119 2HB GLU 119 -19.088 -0.232 -3.369 923 HG2 GLU 119 1HG GLU 119 -18.628 1.249 -0.946 924 HG3 GLU 119 2HG GLU 119 -18.182 1.980 -2.522 925 H ALA 120 H ALA 120 -17.250 -2.034 -1.017 926 HA ALA 120 HA ALA 120 -17.471 -4.308 -2.616 927 HB1 ALA 120 1HB ALA 120 -15.454 -3.013 -1.918 928 HB2 ALA 120 2HB ALA 120 -15.399 -4.773 -1.996 929 HB3 ALA 120 3HB ALA 120 -15.566 -3.953 -0.409 930 H LYS 121 H LYS 121 -17.430 -4.019 0.711 931 HA LYS 121 HA LYS 121 -18.131 -6.540 1.563 932 HB2 LYS 121 1HB LYS 121 -18.038 -3.853 2.340 933 HB3 LYS 121 2HB LYS 121 -19.216 -4.832 3.334 934 HG2 LYS 121 1HG LYS 121 -17.391 -6.163 3.596 935 HG3 LYS 121 2HG LYS 121 -16.416 -5.134 2.589 936 HD2 LYS 121 1HD LYS 121 -16.177 -4.644 5.197 937 HD3 LYS 121 2HD LYS 121 -16.254 -3.570 3.769 938 HE2 LYS 121 1HE LYS 121 -17.574 -2.573 5.597 939 HE3 LYS 121 2HE LYS 121 -18.393 -3.032 4.094 940 HZ1 LYS 121 1HZ LYS 121 -18.677 -4.632 6.600 941 HZ2 LYS 121 2HZ LYS 121 -19.566 -4.709 5.104 942 HZ3 LYS 121 3HZ LYS 121 -19.651 -3.361 6.030 943 H ALA 122 H ALA 122 -20.088 -4.011 1.201 944 HA ALA 122 HA ALA 122 -22.432 -5.120 1.431 945 HB1 ALA 122 1HB ALA 122 -21.716 -3.060 -0.441 946 HB2 ALA 122 2HB ALA 122 -21.756 -2.937 1.332 947 HB3 ALA 122 3HB ALA 122 -23.293 -3.239 0.411 948 H ARG 123 H ARG 123 -20.215 -5.599 -1.247 949 HA ARG 123 HA ARG 123 -22.271 -6.127 -3.020 950 HB2 ARG 123 1HB ARG 123 -20.760 -5.531 -4.643 951 HB3 ARG 123 2HB ARG 123 -19.780 -5.145 -3.201 952 HG2 ARG 123 1HG ARG 123 -18.922 -7.432 -3.249 953 HG3 ARG 123 2HG ARG 123 -19.608 -7.646 -4.875 954 HD2 ARG 123 1HD ARG 123 -18.306 -5.574 -5.550 955 HD3 ARG 123 2HD ARG 123 -17.692 -5.673 -3.883 956 HE ARG 123 HE ARG 123 -17.115 -8.100 -5.128 957 HH11 ARG 123 1HH1 ARG 123 -16.097 -4.728 -5.362 958 HH12 ARG 123 2HH1 ARG 123 -14.509 -5.084 -5.884 959 HH21 ARG 123 1HH2 ARG 123 -15.084 -8.599 -5.805 960 HH22 ARG 123 2HH2 ARG 123 -13.857 -7.451 -6.155 961 H VAL 124 H VAL 124 -20.187 -7.314 -1.003 962 HA VAL 124 HA VAL 124 -19.645 -9.825 -2.210 963 HB VAL 124 HB VAL 124 -18.869 -8.694 0.383 964 HG11 VAL 124 1HG1 VAL 124 -18.086 -11.211 -0.953 965 HG12 VAL 124 2HG1 VAL 124 -18.969 -11.004 0.591 966 HG13 VAL 124 3HG1 VAL 124 -17.223 -10.576 0.485 967 HG21 VAL 124 1HG2 VAL 124 -16.640 -8.615 -0.604 968 HG22 VAL 124 2HG2 VAL 124 -17.932 -7.628 -1.310 969 HG23 VAL 124 3HG2 VAL 124 -17.390 -9.101 -2.160 970 H GLN 125 H GLN 125 -20.628 -8.583 0.514 971 HA GLN 125 HA GLN 125 -21.815 -8.945 2.314 972 HB2 GLN 125 1HB GLN 125 -22.142 -8.151 0.364 973 HB3 GLN 125 2HB GLN 125 -22.829 -7.447 1.236 974 HG2 GLN 125 1HG GLN 125 -23.885 -7.863 -0.982 975 HG3 GLN 125 2HG GLN 125 -23.222 -9.507 -0.830 976 HE21 GLN 125 1HE2 GLN 125 -27.102 -8.649 0.093 977 HE22 GLN 125 2HE2 GLN 125 -25.907 -7.409 -0.164 978 H ALA 126 H ALA 126 -21.629 -11.818 0.777 979 HA ALA 126 HA ALA 126 -23.486 -12.964 2.381 980 HB1 ALA 126 1HB ALA 126 -24.113 -12.179 -0.072 981 HB2 ALA 126 2HB ALA 126 -24.953 -13.355 0.975 982 HB3 ALA 126 3HB ALA 126 -23.839 -13.943 -0.302 983 H GLN 127 H GLN 127 -21.940 -14.235 -0.730 984 HA GLN 127 HA GLN 127 -20.465 -16.037 0.675 985 HB2 GLN 127 1HB GLN 127 -22.111 -15.673 -1.529 986 HB3 GLN 127 2HB GLN 127 -20.524 -16.073 -2.087 987 HG2 GLN 127 1HG GLN 127 -22.249 -17.347 -0.109 988 HG3 GLN 127 2HG GLN 127 -21.992 -18.059 -1.718 989 HE21 GLN 127 1HE2 GLN 127 -19.861 -19.786 0.907 990 HE22 GLN 127 2HE2 GLN 127 -21.545 -19.411 0.802 991 H ARG 128 H ARG 128 -18.297 -15.928 0.498 992 HA ARG 128 HA ARG 128 -17.109 -13.829 -0.482 993 HB2 ARG 128 1HB ARG 128 -15.969 -16.482 0.263 994 HB3 ARG 128 2HB ARG 128 -15.137 -15.213 -0.674 995 HG2 ARG 128 1HG ARG 128 -16.421 -14.504 1.831 996 HG3 ARG 128 2HG ARG 128 -14.741 -15.154 1.869 997 HD2 ARG 128 1HD ARG 128 -15.969 -12.832 0.563 998 HD3 ARG 128 2HD ARG 128 -14.626 -12.740 1.725 999 HE ARG 128 HE ARG 128 -13.402 -13.957 -0.245 1000 HH11 ARG 128 1HH1 ARG 128 -15.789 -11.329 -0.628 1001 HH12 ARG 128 2HH1 ARG 128 -15.329 -10.983 -2.229 1002 HH21 ARG 128 1HH2 ARG 128 -12.794 -13.378 -2.530 1003 HH22 ARG 128 2HH2 ARG 128 -13.630 -12.070 -3.239 1004 H ALA 129 H ALA 129 -17.972 -16.791 -1.933 1005 HA ALA 129 HA ALA 129 -16.497 -16.793 -4.143 1006 HB1 ALA 129 1HB ALA 129 -19.277 -17.797 -3.834 1007 HB2 ALA 129 2HB ALA 129 -17.687 -18.583 -3.506 1008 HB3 ALA 129 3HB ALA 129 -18.109 -18.110 -5.154 1009 H GLU 130 H GLU 130 -16.349 -15.351 -5.664 1010 HA GLU 130 HA GLU 130 -18.541 -14.196 -6.817 1011 HB2 GLU 130 1HB GLU 130 -17.556 -11.808 -6.698 1012 HB3 GLU 130 2HB GLU 130 -18.213 -12.416 -5.193 1013 HG2 GLU 130 1HG GLU 130 -16.028 -12.797 -4.297 1014 HG3 GLU 130 2HG GLU 130 -15.265 -12.518 -5.858 1015 H GLN 131 H GLN 131 -15.772 -12.399 -7.594 1016 HA GLN 131 HA GLN 131 -15.104 -14.297 -9.653 1017 HB2 GLN 131 1HB GLN 131 -15.052 -11.872 -10.220 1018 HB3 GLN 131 2HB GLN 131 -13.795 -11.628 -9.017 1019 HG2 GLN 131 1HG GLN 131 -12.889 -11.705 -11.302 1020 HG3 GLN 131 2HG GLN 131 -12.253 -13.000 -10.290 1021 HE21 GLN 131 1HE2 GLN 131 -13.577 -15.560 -12.268 1022 HE22 GLN 131 2HE2 GLN 131 -12.793 -15.166 -10.785 1023 H GLN 132 H GLN 132 -14.692 -15.858 -8.144 1024 HA GLN 132 HA GLN 132 -12.280 -15.648 -6.598 1025 HB2 GLN 132 1HB GLN 132 -14.666 -17.373 -6.462 1026 HB3 GLN 132 2HB GLN 132 -13.062 -18.001 -5.943 1027 HG2 GLN 132 1HG GLN 132 -14.448 -15.540 -4.924 1028 HG3 GLN 132 2HG GLN 132 -14.455 -17.102 -4.128 1029 HE21 GLN 132 1HE2 GLN 132 -10.702 -16.746 -3.727 1030 HE22 GLN 132 2HE2 GLN 132 -11.610 -17.777 -4.713 1031 H ALA 133 H ALA 133 -11.043 -17.841 -6.493 1032 HA ALA 133 HA ALA 133 -10.904 -19.409 -8.761 1033 HB1 ALA 133 1HB ALA 133 -9.510 -17.558 -9.524 1034 HB2 ALA 133 2HB ALA 133 -8.470 -18.878 -8.985 1035 HB3 ALA 133 3HB ALA 133 -8.709 -17.460 -7.951 Start of MODEL 5 1 H1 MET 1 1H MET 1 15.058 -6.400 25.453 2 H2 MET 1 2H MET 1 16.629 -6.429 26.111 3 H3 MET 1 3H MET 1 15.415 -7.476 26.691 4 HA MET 1 HA MET 1 16.447 -7.561 23.952 5 HB2 MET 1 1HB MET 1 16.946 -9.376 26.330 6 HB3 MET 1 2HB MET 1 17.398 -9.765 24.680 7 HG2 MET 1 1HG MET 1 18.942 -7.879 24.645 8 HG3 MET 1 2HG MET 1 18.454 -7.441 26.281 9 HE1 MET 1 1HE MET 1 21.495 -7.906 25.379 10 HE2 MET 1 2HE MET 1 22.104 -8.837 26.747 11 HE3 MET 1 3HE MET 1 21.036 -7.461 27.023 12 H GLY 2 H GLY 2 15.807 -9.914 23.114 13 HA2 GLY 2 1HA GLY 2 13.416 -10.980 24.167 14 HA3 GLY 2 2HA GLY 2 13.165 -10.023 22.705 15 H SER 3 H SER 3 12.833 -12.847 22.962 16 HA SER 3 HA SER 3 14.602 -13.668 20.816 17 HB2 SER 3 1HB SER 3 15.010 -15.860 22.070 18 HB3 SER 3 2HB SER 3 15.842 -14.444 22.717 19 HG SER 3 HG SER 3 14.956 -15.206 24.476 20 H SER 4 H SER 4 12.543 -15.440 22.967 21 HA SER 4 HA SER 4 10.663 -16.099 20.805 22 HB2 SER 4 1HB SER 4 11.527 -17.980 22.150 23 HB3 SER 4 2HB SER 4 10.981 -17.199 23.628 24 HG SER 4 HG SER 4 9.541 -18.526 21.651 25 H HIS 5 H HIS 5 11.017 -14.431 23.795 26 HA HIS 5 HA HIS 5 8.242 -13.510 23.668 27 HB2 HIS 5 1HB HIS 5 10.174 -13.421 26.025 28 HB3 HIS 5 2HB HIS 5 8.525 -12.806 26.045 29 HD1 HIS 5 HD1 HIS 5 10.125 -15.466 27.513 30 HD2 HIS 5 HD2 HIS 5 6.860 -15.333 24.923 31 HE1 HIS 5 HE1 HIS 5 8.905 -17.623 27.851 32 HE2 HIS 5 HE2 HIS 5 7.061 -17.601 26.145 33 H HIS 6 H HIS 6 7.858 -11.293 23.628 34 HA HIS 6 HA HIS 6 8.135 -9.172 22.989 35 HB2 HIS 6 1HB HIS 6 11.116 -9.519 23.565 36 HB3 HIS 6 2HB HIS 6 10.393 -8.004 23.052 37 HD1 HIS 6 HD1 HIS 6 11.775 -9.182 25.917 38 HD2 HIS 6 HD2 HIS 6 7.976 -7.669 25.146 39 HE1 HIS 6 HE1 HIS 6 10.883 -8.419 28.145 40 HE2 HIS 6 HE2 HIS 6 8.645 -7.383 27.625 41 H HIS 7 H HIS 7 10.872 -11.019 21.742 42 HA HIS 7 HA HIS 7 10.344 -10.082 19.044 43 HB2 HIS 7 1HB HIS 7 12.705 -10.467 19.790 44 HB3 HIS 7 2HB HIS 7 12.326 -12.148 20.106 45 HD1 HIS 7 HD1 HIS 7 12.319 -13.743 18.118 46 HD2 HIS 7 HD2 HIS 7 13.069 -9.810 17.041 47 HE1 HIS 7 HE1 HIS 7 13.166 -13.840 15.723 48 HE2 HIS 7 HE2 HIS 7 13.692 -11.443 15.133 49 H HIS 8 H HIS 8 8.117 -10.962 19.561 50 HA HIS 8 HA HIS 8 7.923 -13.865 19.149 51 HB2 HIS 8 1HB HIS 8 6.716 -12.827 21.102 52 HB3 HIS 8 2HB HIS 8 5.719 -11.937 19.959 53 HD1 HIS 8 HD1 HIS 8 3.528 -13.027 19.510 54 HD2 HIS 8 HD2 HIS 8 6.442 -15.800 20.568 55 HE1 HIS 8 HE1 HIS 8 2.348 -15.237 19.592 56 HE2 HIS 8 HE2 HIS 8 4.190 -16.913 19.961 57 H HIS 9 H HIS 9 8.334 -11.484 17.244 58 HA HIS 9 HA HIS 9 6.220 -12.161 15.337 59 HB2 HIS 9 1HB HIS 9 6.753 -9.689 16.006 60 HB3 HIS 9 2HB HIS 9 8.216 -9.911 15.050 61 HD1 HIS 9 HD1 HIS 9 7.913 -8.989 12.711 62 HD2 HIS 9 HD2 HIS 9 4.389 -10.512 14.317 63 HE1 HIS 9 HE1 HIS 9 6.170 -8.642 10.990 64 HE2 HIS 9 HE2 HIS 9 4.111 -8.948 12.400 65 H HIS 10 H HIS 10 6.849 -13.354 13.565 66 HA HIS 10 HA HIS 10 9.720 -13.697 13.148 67 HB2 HIS 10 1HB HIS 10 8.744 -15.613 14.508 68 HB3 HIS 10 2HB HIS 10 7.716 -15.980 13.126 69 HD1 HIS 10 HD1 HIS 10 8.995 -16.736 10.919 70 HD2 HIS 10 HD2 HIS 10 11.303 -16.525 14.349 71 HE1 HIS 10 HE1 HIS 10 11.155 -17.901 10.351 72 HE2 HIS 10 HE2 HIS 10 12.530 -16.929 12.197 73 H SER 11 H SER 11 10.021 -12.929 11.165 74 HA SER 11 HA SER 11 8.902 -13.766 8.728 75 HB2 SER 11 1HB SER 11 7.404 -11.935 8.206 76 HB3 SER 11 2HB SER 11 6.778 -12.830 9.560 77 HG SER 11 HG SER 11 8.384 -10.710 10.349 78 H GLN 12 H GLN 12 8.934 -10.845 7.977 79 HA GLN 12 HA GLN 12 11.780 -11.054 7.467 80 HB2 GLN 12 1HB GLN 12 9.582 -10.734 5.444 81 HB3 GLN 12 2HB GLN 12 11.316 -10.687 5.110 82 HG2 GLN 12 1HG GLN 12 11.611 -12.940 5.716 83 HG3 GLN 12 2HG GLN 12 10.005 -13.043 6.452 84 HE21 GLN 12 1HE2 GLN 12 10.551 -13.474 2.471 85 HE22 GLN 12 2HE2 GLN 12 11.822 -12.910 3.488 86 H ASP 13 H ASP 13 10.391 -9.447 9.225 87 HA ASP 13 HA ASP 13 10.419 -6.789 8.251 88 HB2 ASP 13 1HB ASP 13 9.763 -6.654 10.545 89 HB3 ASP 13 2HB ASP 13 8.491 -7.377 9.492 90 HA PRO 14 HA PRO 14 14.247 -5.745 10.447 91 HB2 PRO 14 2HB PRO 14 13.007 -4.623 12.891 92 HB3 PRO 14 1HB PRO 14 14.097 -3.859 11.721 93 HG2 PRO 14 2HG PRO 14 11.584 -3.145 11.751 94 HG3 PRO 14 1HG PRO 14 12.395 -3.431 10.194 95 HD2 PRO 14 2HD PRO 14 10.610 -5.251 11.731 96 HD3 PRO 14 1HD PRO 14 10.505 -4.826 10.015 97 H MET 15 H MET 15 11.925 -7.325 12.354 98 HA MET 15 HA MET 15 13.463 -8.130 14.419 99 HB2 MET 15 1HB MET 15 10.922 -9.251 13.301 100 HB3 MET 15 2HB MET 15 11.739 -10.072 14.667 101 HG2 MET 15 1HG MET 15 10.730 -7.350 14.302 102 HG3 MET 15 2HG MET 15 9.894 -8.704 15.046 103 HE1 MET 15 1HE MET 15 9.452 -7.119 17.254 104 HE2 MET 15 2HE MET 15 10.349 -5.805 16.495 105 HE3 MET 15 3HE MET 15 10.744 -6.305 18.139 106 H GLU 16 H GLU 16 13.253 -9.292 11.154 107 HA GLU 16 HA GLU 16 15.466 -11.100 11.613 108 HB2 GLU 16 1HB GLU 16 12.864 -12.100 10.474 109 HB3 GLU 16 2HB GLU 16 14.389 -12.921 10.230 110 HG2 GLU 16 1HG GLU 16 14.592 -13.309 12.608 111 HG3 GLU 16 2HG GLU 16 13.107 -12.398 12.897 112 H ASN 17 H ASN 17 13.142 -10.719 8.924 113 HA ASN 17 HA ASN 17 13.478 -10.727 6.649 114 HB2 ASN 17 1HB ASN 17 14.006 -8.291 7.308 115 HB3 ASN 17 2HB ASN 17 15.605 -8.857 7.458 116 HD21 ASN 17 1HD2 ASN 17 14.672 -7.115 4.084 117 HD22 ASN 17 2HD2 ASN 17 14.142 -6.885 5.710 118 H GLN 18 H GLN 18 14.487 -12.669 7.947 119 HA GLN 18 HA GLN 18 17.050 -13.367 7.255 120 HB2 GLN 18 1HB GLN 18 14.701 -14.485 8.443 121 HB3 GLN 18 2HB GLN 18 15.620 -15.692 7.614 122 HG2 GLN 18 1HG GLN 18 16.508 -13.792 9.805 123 HG3 GLN 18 2HG GLN 18 16.263 -15.530 10.001 124 HE21 GLN 18 1HE2 GLN 18 19.386 -16.396 8.711 125 HE22 GLN 18 2HE2 GLN 18 17.800 -16.944 9.153 126 HA PRO 19 HA PRO 19 15.511 -15.328 3.175 127 HB2 PRO 19 2HB PRO 19 12.569 -15.223 3.227 128 HB3 PRO 19 1HB PRO 19 13.595 -16.632 2.820 129 HG2 PRO 19 2HG PRO 19 12.122 -16.545 5.021 130 HG3 PRO 19 1HG PRO 19 13.736 -17.286 5.011 131 HD2 PRO 19 2HD PRO 19 12.946 -14.603 6.089 132 HD3 PRO 19 1HD PRO 19 14.037 -15.829 6.713 133 H LYS 20 H LYS 20 15.483 -13.893 1.302 134 HA LYS 20 HA LYS 20 15.035 -11.371 1.696 135 HB2 LYS 20 1HB LYS 20 15.363 -13.078 -0.644 136 HB3 LYS 20 2HB LYS 20 15.518 -11.335 -0.649 137 HG2 LYS 20 1HG LYS 20 17.167 -13.270 0.848 138 HG3 LYS 20 2HG LYS 20 17.800 -12.262 -0.477 139 HD2 LYS 20 1HD LYS 20 18.440 -10.783 1.279 140 HD3 LYS 20 2HD LYS 20 16.656 -10.654 1.350 141 HE2 LYS 20 1HE LYS 20 16.357 -12.113 2.935 142 HE3 LYS 20 2HE LYS 20 17.974 -12.783 2.969 143 HZ1 LYS 20 1HZ LYS 20 18.646 -10.467 3.883 144 HZ2 LYS 20 2HZ LYS 20 17.571 -11.360 4.846 145 HZ3 LYS 20 3HZ LYS 20 16.973 -10.144 3.961 146 H LEU 21 H LEU 21 13.885 -10.124 -0.282 147 HA LEU 21 HA LEU 21 11.218 -10.146 -0.151 148 HB2 LEU 21 1HB LEU 21 13.359 -9.271 -1.880 149 HB3 LEU 21 2HB LEU 21 11.865 -8.506 -2.049 150 HG LEU 21 HG LEU 21 14.011 -8.188 -0.390 151 HD11 LEU 21 1HD1 LEU 21 12.517 -6.851 -1.813 152 HD12 LEU 21 2HD1 LEU 21 13.336 -6.261 -0.291 153 HD13 LEU 21 3HD1 LEU 21 11.607 -6.753 -0.203 154 HD21 LEU 21 1HD2 LEU 21 12.797 -9.286 1.192 155 HD22 LEU 21 2HD2 LEU 21 11.431 -8.198 0.654 156 HD23 LEU 21 3HD2 LEU 21 12.965 -7.489 1.463 157 H ASN 22 H ASN 22 13.254 -11.421 -2.575 158 HA ASN 22 HA ASN 22 13.035 -13.094 -4.060 159 HB2 ASN 22 1HB ASN 22 10.643 -13.883 -2.388 160 HB3 ASN 22 2HB ASN 22 11.578 -14.903 -3.478 161 HD21 ASN 22 1HD2 ASN 22 12.659 -15.018 -0.068 162 HD22 ASN 22 2HD2 ASN 22 11.059 -14.903 -0.706 163 H SER 23 H SER 23 11.421 -10.629 -4.055 164 HA SER 23 HA SER 23 10.942 -9.442 -5.882 165 HB2 SER 23 1HB SER 23 10.477 -10.314 -8.163 166 HB3 SER 23 2HB SER 23 11.964 -10.938 -7.477 167 HG SER 23 HG SER 23 10.372 -12.758 -6.832 168 H SER 24 H SER 24 8.755 -10.784 -3.979 169 HA SER 24 HA SER 24 6.936 -8.836 -5.001 170 HB2 SER 24 1HB SER 24 4.981 -10.389 -5.312 171 HB3 SER 24 2HB SER 24 6.248 -10.540 -6.529 172 HG SER 24 HG SER 24 6.868 -12.430 -5.705 173 H LYS 25 H LYS 25 5.903 -11.639 -2.997 174 HA LYS 25 HA LYS 25 4.270 -10.179 -1.417 175 HB2 LYS 25 1HB LYS 25 4.010 -12.394 -1.828 176 HB3 LYS 25 2HB LYS 25 5.665 -12.758 -1.517 177 HG2 LYS 25 1HG LYS 25 5.370 -13.156 0.516 178 HG3 LYS 25 2HG LYS 25 4.658 -11.557 0.728 179 HD2 LYS 25 1HD LYS 25 3.091 -13.206 1.499 180 HD3 LYS 25 2HD LYS 25 2.611 -12.432 -0.040 181 HE2 LYS 25 1HE LYS 25 2.240 -14.900 -0.178 182 HE3 LYS 25 2HE LYS 25 3.400 -14.129 -1.292 183 HZ1 LYS 25 1HZ LYS 25 4.255 -15.609 1.169 184 HZ2 LYS 25 2HZ LYS 25 5.252 -14.976 0.008 185 HZ3 LYS 25 3HZ LYS 25 4.296 -16.283 -0.377 186 H GLU 26 H GLU 26 7.176 -11.715 -0.896 187 HA GLU 26 HA GLU 26 7.481 -10.904 1.682 188 HB2 GLU 26 1HB GLU 26 9.650 -11.915 -0.176 189 HB3 GLU 26 2HB GLU 26 9.845 -11.770 1.555 190 HG2 GLU 26 1HG GLU 26 9.453 -14.084 0.938 191 HG3 GLU 26 2HG GLU 26 8.107 -13.488 1.890 192 H VAL 27 H VAL 27 7.961 -9.033 -1.058 193 HA VAL 27 HA VAL 27 9.892 -7.208 0.233 194 HB VAL 27 HB VAL 27 10.463 -6.450 -1.707 195 HG11 VAL 27 1HG1 VAL 27 8.630 -8.339 -2.833 196 HG12 VAL 27 2HG1 VAL 27 10.145 -8.712 -1.913 197 HG13 VAL 27 3HG1 VAL 27 10.250 -7.779 -3.496 198 HG21 VAL 27 1HG2 VAL 27 7.676 -6.433 -2.642 199 HG22 VAL 27 2HG2 VAL 27 9.073 -5.479 -3.278 200 HG23 VAL 27 3HG2 VAL 27 8.462 -5.261 -1.578 201 H ILE 28 H ILE 28 6.369 -7.595 -0.065 202 HA ILE 28 HA ILE 28 5.863 -5.013 0.580 203 HB ILE 28 HB ILE 28 4.751 -7.630 1.282 204 HG12 ILE 28 1HG1 ILE 28 3.655 -7.376 -0.864 205 HG13 ILE 28 2HG1 ILE 28 2.955 -6.384 0.265 206 HG21 ILE 28 1HG2 ILE 28 2.671 -6.515 2.224 207 HG22 ILE 28 2HG2 ILE 28 3.450 -4.963 2.053 208 HG23 ILE 28 3HG2 ILE 28 4.129 -6.169 3.160 209 HD11 ILE 28 1HD1 ILE 28 5.175 -5.173 -1.047 210 HD12 ILE 28 2HD1 ILE 28 3.863 -4.327 -0.287 211 HD13 ILE 28 3HD1 ILE 28 3.636 -5.201 -1.884 212 H ALA 29 H ALA 29 6.641 -7.895 2.174 213 HA ALA 29 HA ALA 29 6.678 -7.032 4.613 214 HB1 ALA 29 1HB ALA 29 8.560 -8.949 3.521 215 HB2 ALA 29 2HB ALA 29 6.827 -9.175 3.666 216 HB3 ALA 29 3HB ALA 29 7.832 -8.955 5.175 217 H PHE 30 H PHE 30 9.405 -6.756 2.294 218 HA PHE 30 HA PHE 30 11.211 -5.638 4.077 219 HB2 PHE 30 2HB PHE 30 12.201 -6.094 2.217 220 HB3 PHE 30 1HB PHE 30 10.699 -5.883 1.266 221 HD1 PHE 30 1HD PHE 30 13.215 -3.926 3.102 222 HD2 PHE 30 2HD PHE 30 10.583 -4.234 -0.212 223 HE1 PHE 30 1HE PHE 30 14.061 -1.825 2.223 224 HE2 PHE 30 2HE PHE 30 11.408 -2.215 -1.047 225 HZ PHE 30 HZ PHE 30 13.172 -0.974 0.158 226 H LEU 31 H LEU 31 8.851 -4.404 1.801 227 HA LEU 31 HA LEU 31 9.202 -1.764 2.030 228 HB2 LEU 31 1HB LEU 31 7.028 -3.582 1.523 229 HB3 LEU 31 2HB LEU 31 6.499 -1.911 1.515 230 HG LEU 31 HG LEU 31 8.369 -3.408 -0.177 231 HD11 LEU 31 1HD1 LEU 31 5.851 -2.957 -0.495 232 HD12 LEU 31 2HD1 LEU 31 7.109 -2.957 -1.748 233 HD13 LEU 31 3HD1 LEU 31 6.448 -1.399 -1.247 234 HD21 LEU 31 1HD2 LEU 31 9.709 -1.740 0.204 235 HD22 LEU 31 2HD2 LEU 31 8.396 -0.549 0.459 236 HD23 LEU 31 3HD2 LEU 31 8.827 -1.070 -1.186 237 H ALA 32 H ALA 32 7.507 -3.947 3.933 238 HA ALA 32 HA ALA 32 6.237 -2.033 5.657 239 HB1 ALA 32 1HB ALA 32 5.477 -4.162 4.907 240 HB2 ALA 32 2HB ALA 32 5.326 -3.788 6.606 241 HB3 ALA 32 3HB ALA 32 6.692 -4.878 5.993 242 H GLU 33 H GLU 33 9.209 -3.792 5.757 243 HA GLU 33 HA GLU 33 9.370 -3.545 8.517 244 HB2 GLU 33 1HB GLU 33 11.435 -4.708 8.397 245 HB3 GLU 33 2HB GLU 33 10.260 -5.080 7.076 246 HG2 GLU 33 1HG GLU 33 11.449 -4.245 5.532 247 HG3 GLU 33 2HG GLU 33 12.208 -3.031 6.498 248 H ARG 34 H ARG 34 10.245 -2.112 5.855 249 HA ARG 34 HA ARG 34 12.104 -0.102 6.580 250 HB2 ARG 34 1HB ARG 34 11.497 -1.681 4.602 251 HB3 ARG 34 2HB ARG 34 10.739 -0.359 3.881 252 HG2 ARG 34 1HG ARG 34 12.844 -0.286 3.086 253 HG3 ARG 34 2HG ARG 34 12.866 0.745 4.588 254 HD2 ARG 34 1HD ARG 34 13.950 -0.764 5.870 255 HD3 ARG 34 2HD ARG 34 13.442 -2.066 4.792 256 HE ARG 34 HE ARG 34 15.204 -0.282 3.510 257 HH11 ARG 34 1HH1 ARG 34 15.229 -3.168 5.696 258 HH12 ARG 34 2HH1 ARG 34 16.819 -3.530 5.371 259 HH21 ARG 34 1HH2 ARG 34 17.288 -0.801 3.106 260 HH22 ARG 34 2HH2 ARG 34 18.125 -2.148 3.793 261 H PHE 35 H PHE 35 8.692 -0.245 5.455 262 HA PHE 35 HA PHE 35 8.292 2.488 6.374 263 HB2 PHE 35 2HB PHE 35 7.498 0.640 4.486 264 HB3 PHE 35 1HB PHE 35 6.277 1.788 4.521 265 HD1 PHE 35 1HD PHE 35 8.551 4.130 4.743 266 HD2 PHE 35 2HD PHE 35 8.202 0.552 2.518 267 HE1 PHE 35 1HE PHE 35 10.175 4.957 3.106 268 HE2 PHE 35 2HE PHE 35 9.676 1.284 0.970 269 HZ PHE 35 HZ PHE 35 10.788 3.496 1.143 270 HA PRO 36 HA PRO 36 5.755 -0.410 9.408 271 HB2 PRO 36 2HB PRO 36 6.438 1.828 11.134 272 HB3 PRO 36 1HB PRO 36 6.749 0.077 11.409 273 HG2 PRO 36 2HG PRO 36 8.459 2.199 10.565 274 HG3 PRO 36 1HG PRO 36 8.867 0.523 10.963 275 HD2 PRO 36 2HD PRO 36 9.070 1.574 8.514 276 HD3 PRO 36 1HD PRO 36 8.810 -0.136 8.831 277 H HIS 37 H HIS 37 5.220 2.432 7.745 278 HA HIS 37 HA HIS 37 2.726 2.849 9.153 279 HB2 HIS 37 1HB HIS 37 2.870 5.178 7.812 280 HB3 HIS 37 2HB HIS 37 3.481 5.044 9.482 281 HD1 HIS 37 HD1 HIS 37 5.877 5.863 9.673 282 HD2 HIS 37 HD2 HIS 37 4.727 4.985 5.801 283 HE1 HIS 37 HE1 HIS 37 7.823 6.574 8.262 284 HE2 HIS 37 HE2 HIS 37 6.952 6.391 5.924 285 H CYS 38 H CYS 38 4.089 3.362 5.842 286 HA CYS 38 HA CYS 38 1.964 3.171 4.489 287 HB2 CYS 38 2HB CYS 38 4.654 1.967 3.696 288 HB3 CYS 38 1HB CYS 38 3.405 2.685 2.684 289 HG CYS 38 HG CYS 38 3.825 5.181 3.310 290 H PHE 39 H PHE 39 4.152 0.475 5.374 291 HA PHE 39 HA PHE 39 2.332 -1.390 4.226 292 HB2 PHE 39 2HB PHE 39 5.065 -0.802 4.669 293 HB3 PHE 39 1HB PHE 39 4.942 -2.390 4.260 294 HD1 PHE 39 1HD PHE 39 6.200 0.114 3.258 295 HD2 PHE 39 2HD PHE 39 2.788 -2.050 2.077 296 HE1 PHE 39 1HE PHE 39 6.496 0.956 1.290 297 HE2 PHE 39 2HE PHE 39 3.031 -1.172 -0.165 298 HZ PHE 39 HZ PHE 39 4.901 0.394 -0.654 299 H SER 40 H SER 40 2.605 -3.540 5.277 300 HA SER 40 HA SER 40 2.564 -3.453 8.280 301 HB2 SER 40 1HB SER 40 1.130 -5.059 6.307 302 HB3 SER 40 2HB SER 40 1.134 -5.289 8.059 303 HG SER 40 HG SER 40 0.568 -2.731 7.422 304 H ALA 41 H ALA 41 2.297 -6.374 6.636 305 HA ALA 41 HA ALA 41 3.859 -7.909 5.823 306 HB1 ALA 41 1HB ALA 41 6.134 -7.893 6.922 307 HB2 ALA 41 2HB ALA 41 5.397 -6.430 7.752 308 HB3 ALA 41 3HB ALA 41 5.542 -6.444 5.995 309 H GLU 42 H GLU 42 3.438 -6.538 8.806 310 HA GLU 42 HA GLU 42 2.907 -8.452 10.679 311 HB2 GLU 42 1HB GLU 42 1.972 -6.089 9.656 312 HB3 GLU 42 2HB GLU 42 1.102 -6.602 10.931 313 HG2 GLU 42 1HG GLU 42 3.959 -5.746 10.685 314 HG3 GLU 42 2HG GLU 42 2.784 -4.971 11.764 315 H GLY 43 H GLY 43 1.451 -6.963 8.307 316 HA2 GLY 43 1HA GLY 43 -0.871 -8.495 8.628 317 HA3 GLY 43 2HA GLY 43 -1.070 -6.798 8.254 318 H GLU 44 H GLU 44 -2.030 -9.038 6.756 319 HA GLU 44 HA GLU 44 -1.102 -9.739 4.390 320 HB2 GLU 44 1HB GLU 44 -3.370 -9.876 5.663 321 HB3 GLU 44 2HB GLU 44 -3.657 -8.400 4.757 322 HG2 GLU 44 1HG GLU 44 -3.441 -9.522 2.728 323 HG3 GLU 44 2HG GLU 44 -3.141 -11.072 3.549 324 H ALA 45 H ALA 45 -2.884 -6.745 5.099 325 HA ALA 45 HA ALA 45 -1.182 -5.110 3.641 326 HB1 ALA 45 1HB ALA 45 -3.824 -5.827 2.422 327 HB2 ALA 45 2HB ALA 45 -2.181 -5.987 1.727 328 HB3 ALA 45 3HB ALA 45 -2.889 -4.373 2.004 329 H ARG 46 H ARG 46 -2.545 -2.968 3.264 330 HA ARG 46 HA ARG 46 -4.247 -2.213 5.385 331 HB2 ARG 46 1HB ARG 46 -1.996 -2.544 6.482 332 HB3 ARG 46 2HB ARG 46 -1.269 -1.530 5.273 333 HG2 ARG 46 1HG ARG 46 -3.329 -0.436 7.146 334 HG3 ARG 46 2HG ARG 46 -1.658 -0.645 7.659 335 HD2 ARG 46 1HD ARG 46 -0.974 0.701 5.679 336 HD3 ARG 46 2HD ARG 46 -2.681 1.028 5.383 337 HE ARG 46 HE ARG 46 -1.702 1.637 8.018 338 HH11 ARG 46 1HH1 ARG 46 -2.418 2.786 4.793 339 HH12 ARG 46 2HH1 ARG 46 -2.407 4.405 5.109 340 HH21 ARG 46 1HH2 ARG 46 -1.642 3.952 8.617 341 HH22 ARG 46 2HH2 ARG 46 -1.934 5.124 7.408 342 HA PRO 47 HA PRO 47 -5.006 0.450 1.845 343 HB2 PRO 47 2HB PRO 47 -5.249 2.825 3.655 344 HB3 PRO 47 1HB PRO 47 -6.484 2.231 2.504 345 HG2 PRO 47 2HG PRO 47 -6.758 1.865 5.114 346 HG3 PRO 47 1HG PRO 47 -7.257 0.633 3.942 347 HD2 PRO 47 2HD PRO 47 -4.912 0.629 5.776 348 HD3 PRO 47 1HD PRO 47 -5.896 -0.726 5.192 349 H LEU 48 H LEU 48 -3.678 1.327 0.442 350 HA LEU 48 HA LEU 48 -1.341 2.863 1.201 351 HB2 LEU 48 1HB LEU 48 -0.357 0.819 1.269 352 HB3 LEU 48 2HB LEU 48 -1.506 0.004 0.256 353 HG LEU 48 HG LEU 48 -0.417 1.590 -1.406 354 HD11 LEU 48 1HD1 LEU 48 1.563 0.753 0.573 355 HD12 LEU 48 2HD1 LEU 48 1.235 2.468 0.065 356 HD13 LEU 48 3HD1 LEU 48 2.041 1.288 -1.030 357 HD21 LEU 48 1HD2 LEU 48 -0.031 -1.112 -0.679 358 HD22 LEU 48 2HD2 LEU 48 1.286 -0.410 -1.634 359 HD23 LEU 48 3HD2 LEU 48 -0.362 -0.360 -2.267 360 H LYS 49 H LYS 49 -0.393 3.596 -1.165 361 HA LYS 49 HA LYS 49 -2.688 3.898 -2.846 362 HB2 LYS 49 1HB LYS 49 -0.593 5.727 -2.296 363 HB3 LYS 49 2HB LYS 49 -0.460 5.275 -3.957 364 HG2 LYS 49 1HG LYS 49 -3.055 6.272 -2.753 365 HG3 LYS 49 2HG LYS 49 -2.008 7.136 -3.879 366 HD2 LYS 49 1HD LYS 49 -2.517 5.687 -5.663 367 HD3 LYS 49 2HD LYS 49 -3.198 4.454 -4.623 368 HE2 LYS 49 1HE LYS 49 -4.983 5.546 -5.802 369 HE3 LYS 49 2HE LYS 49 -5.077 6.008 -4.111 370 HZ1 LYS 49 1HZ LYS 49 -5.431 7.886 -5.588 371 HZ2 LYS 49 2HZ LYS 49 -3.883 7.759 -6.227 372 HZ3 LYS 49 3HZ LYS 49 -4.131 8.113 -4.621 373 H ILE 50 H ILE 50 -1.477 3.882 -5.205 374 HA ILE 50 HA ILE 50 0.574 1.797 -5.169 375 HB ILE 50 HB ILE 50 -1.747 1.990 -6.921 376 HG12 ILE 50 1HG1 ILE 50 0.046 -0.218 -5.932 377 HG13 ILE 50 2HG1 ILE 50 -1.258 0.491 -4.995 378 HG21 ILE 50 1HG2 ILE 50 0.927 0.988 -7.668 379 HG22 ILE 50 2HG2 ILE 50 0.239 2.468 -8.315 380 HG23 ILE 50 3HG2 ILE 50 -0.490 0.865 -8.771 381 HD11 ILE 50 1HD1 ILE 50 -1.532 -0.848 -7.613 382 HD12 ILE 50 2HD1 ILE 50 -2.815 -0.255 -6.511 383 HD13 ILE 50 3HD1 ILE 50 -1.751 -1.629 -6.036 384 H GLY 51 H GLY 51 -0.120 4.751 -6.357 385 HA2 GLY 51 1HA GLY 51 2.285 4.971 -7.936 386 HA3 GLY 51 2HA GLY 51 1.269 6.301 -7.374 387 H ILE 52 H ILE 52 1.798 4.954 -4.425 388 HA ILE 52 HA ILE 52 3.975 6.159 -3.419 389 HB ILE 52 HB ILE 52 2.482 4.994 -1.955 390 HG12 ILE 52 1HG1 ILE 52 4.997 3.692 -2.520 391 HG13 ILE 52 2HG1 ILE 52 4.818 4.948 -1.436 392 HG21 ILE 52 1HG2 ILE 52 2.783 2.374 -2.354 393 HG22 ILE 52 2HG2 ILE 52 2.733 2.866 -4.038 394 HG23 ILE 52 3HG2 ILE 52 1.355 3.224 -2.942 395 HD11 ILE 52 1HD1 ILE 52 4.645 2.288 -1.184 396 HD12 ILE 52 2HD1 ILE 52 2.960 2.882 -0.970 397 HD13 ILE 52 3HD1 ILE 52 4.211 3.418 0.165 398 H PHE 53 H PHE 53 3.698 3.243 -5.424 399 HA PHE 53 HA PHE 53 5.805 1.832 -4.657 400 HB2 PHE 53 2HB PHE 53 4.489 1.059 -6.012 401 HB3 PHE 53 1HB PHE 53 4.387 2.378 -7.169 402 HD1 PHE 53 1HD PHE 53 6.377 -0.001 -5.767 403 HD2 PHE 53 2HD PHE 53 6.007 2.456 -9.026 404 HE1 PHE 53 1HE PHE 53 7.996 -1.261 -6.784 405 HE2 PHE 53 2HE PHE 53 7.964 1.265 -10.151 406 HZ PHE 53 HZ PHE 53 8.938 -0.720 -8.884 407 H GLN 54 H GLN 54 5.619 4.327 -6.868 408 HA GLN 54 HA GLN 54 8.171 4.785 -7.854 409 HB2 GLN 54 1HB GLN 54 6.121 5.602 -8.626 410 HB3 GLN 54 2HB GLN 54 5.850 5.936 -7.050 411 HG2 GLN 54 1HG GLN 54 7.874 7.385 -7.363 412 HG3 GLN 54 2HG GLN 54 6.842 8.136 -8.733 413 HE21 GLN 54 1HE2 GLN 54 6.921 7.574 -4.924 414 HE22 GLN 54 2HE2 GLN 54 5.848 6.589 -5.615 415 H ASP 55 H ASP 55 7.137 5.184 -4.994 416 HA ASP 55 HA ASP 55 8.916 7.292 -4.210 417 HB2 ASP 55 1HB ASP 55 6.223 6.820 -3.266 418 HB3 ASP 55 2HB ASP 55 7.168 6.113 -2.339 419 H LEU 56 H LEU 56 7.736 4.337 -3.329 420 HA LEU 56 HA LEU 56 9.418 3.288 -1.447 421 HB2 LEU 56 1HB LEU 56 7.996 2.620 -3.921 422 HB3 LEU 56 2HB LEU 56 8.033 2.960 -2.269 423 HG LEU 56 HG LEU 56 8.486 0.407 -2.535 424 HD11 LEU 56 1HD1 LEU 56 8.461 2.103 -0.505 425 HD12 LEU 56 2HD1 LEU 56 7.281 0.752 -0.564 426 HD13 LEU 56 3HD1 LEU 56 6.822 2.355 -1.216 427 HD21 LEU 56 1HD2 LEU 56 6.802 0.674 -3.828 428 HD22 LEU 56 2HD2 LEU 56 6.480 2.252 -2.915 429 HD23 LEU 56 3HD2 LEU 56 6.089 0.726 -2.158 430 H VAL 57 H VAL 57 9.452 3.359 -4.705 431 HA VAL 57 HA VAL 57 11.744 2.081 -4.900 432 HB VAL 57 HB VAL 57 11.840 2.546 -7.335 433 HG11 VAL 57 1HG1 VAL 57 10.378 0.984 -7.161 434 HG12 VAL 57 2HG1 VAL 57 9.132 2.414 -6.930 435 HG13 VAL 57 3HG1 VAL 57 9.877 1.700 -5.570 436 HG21 VAL 57 1HG2 VAL 57 10.151 3.924 -8.208 437 HG22 VAL 57 2HG2 VAL 57 11.349 4.826 -7.161 438 HG23 VAL 57 3HG2 VAL 57 9.738 4.573 -6.582 439 H ASP 58 H ASP 58 11.231 5.487 -4.718 440 HA ASP 58 HA ASP 58 13.380 6.823 -5.319 441 HB2 ASP 58 1HB ASP 58 11.327 7.110 -3.574 442 HB3 ASP 58 2HB ASP 58 12.574 6.648 -2.637 443 H ARG 59 H ARG 59 12.681 4.811 -2.675 444 HA ARG 59 HA ARG 59 15.043 4.925 -1.154 445 HB2 ARG 59 1HB ARG 59 12.371 4.496 -0.989 446 HB3 ARG 59 2HB ARG 59 13.198 3.608 0.344 447 HG2 ARG 59 1HG ARG 59 13.086 5.639 1.490 448 HG3 ARG 59 2HG ARG 59 13.796 6.495 0.111 449 HD2 ARG 59 1HD ARG 59 11.691 6.708 -0.953 450 HD3 ARG 59 2HD ARG 59 10.922 5.587 0.143 451 HE ARG 59 HE ARG 59 11.389 7.412 1.836 452 HH11 ARG 59 1HH1 ARG 59 11.314 8.506 -1.457 453 HH12 ARG 59 2HH1 ARG 59 9.826 9.334 -1.389 454 HH21 ARG 59 1HH2 ARG 59 9.335 8.909 2.098 455 HH22 ARG 59 2HH2 ARG 59 8.769 9.615 0.650 456 H VAL 60 H VAL 60 12.478 2.496 -1.999 457 HA VAL 60 HA VAL 60 13.605 0.480 -0.650 458 HB VAL 60 HB VAL 60 11.877 -0.737 -1.872 459 HG11 VAL 60 1HG1 VAL 60 10.976 0.346 -0.146 460 HG12 VAL 60 2HG1 VAL 60 10.246 1.023 -1.765 461 HG13 VAL 60 3HG1 VAL 60 11.457 1.967 -0.837 462 HG21 VAL 60 1HG2 VAL 60 11.692 -0.130 -3.894 463 HG22 VAL 60 2HG2 VAL 60 12.181 1.461 -3.356 464 HG23 VAL 60 3HG2 VAL 60 10.497 1.024 -3.161 465 H ALA 61 H ALA 61 13.844 1.281 -3.797 466 HA ALA 61 HA ALA 61 13.347 -0.984 -5.083 467 HB1 ALA 61 1HB ALA 61 13.955 -0.086 -6.872 468 HB2 ALA 61 2HB ALA 61 14.697 1.300 -5.920 469 HB3 ALA 61 3HB ALA 61 12.909 0.831 -5.761 470 H GLY 62 H GLY 62 16.374 -0.354 -4.210 471 HA2 GLY 62 1HA GLY 62 16.576 -3.017 -4.931 472 HA3 GLY 62 2HA GLY 62 17.744 -2.053 -5.740 473 H GLU 63 H GLU 63 16.579 -1.591 -2.732 474 HA GLU 63 HA GLU 63 18.894 -1.139 -1.253 475 HB2 GLU 63 1HB GLU 63 16.208 -2.064 -0.598 476 HB3 GLU 63 2HB GLU 63 17.350 -2.062 0.701 477 HG2 GLU 63 1HG GLU 63 17.680 0.477 -0.180 478 HG3 GLU 63 2HG GLU 63 16.117 0.111 -0.932 479 H MET 64 H MET 64 16.974 -4.055 -1.263 480 HA MET 64 HA MET 64 19.398 -5.540 -0.695 481 HB2 MET 64 1HB MET 64 16.799 -6.635 -0.059 482 HB3 MET 64 2HB MET 64 18.345 -7.155 0.493 483 HG2 MET 64 1HG MET 64 17.143 -6.306 2.295 484 HG3 MET 64 2HG MET 64 18.455 -5.152 1.970 485 HE1 MET 64 1HE MET 64 14.513 -5.893 1.295 486 HE2 MET 64 2HE MET 64 15.265 -5.579 -0.268 487 HE3 MET 64 3HE MET 64 14.171 -4.395 0.481 488 H ASN 65 H ASN 65 16.311 -6.014 -1.736 489 HA ASN 65 HA ASN 65 17.250 -7.716 -3.758 490 HB2 ASN 65 1HB ASN 65 14.901 -7.988 -2.104 491 HB3 ASN 65 2HB ASN 65 15.561 -9.217 -3.130 492 HD21 ASN 65 1HD2 ASN 65 17.756 -9.838 -0.585 493 HD22 ASN 65 2HD2 ASN 65 17.734 -9.791 -2.274 494 H LEU 66 H LEU 66 16.274 -4.998 -4.509 495 HA LEU 66 HA LEU 66 13.748 -5.746 -5.949 496 HB2 LEU 66 1HB LEU 66 14.670 -3.744 -4.189 497 HB3 LEU 66 2HB LEU 66 13.580 -3.067 -5.389 498 HG LEU 66 HG LEU 66 13.456 -4.505 -2.827 499 HD11 LEU 66 1HD1 LEU 66 11.367 -3.164 -2.665 500 HD12 LEU 66 2HD1 LEU 66 11.941 -2.356 -4.206 501 HD13 LEU 66 3HD1 LEU 66 12.900 -2.315 -2.783 502 HD21 LEU 66 1HD2 LEU 66 12.797 -5.940 -4.257 503 HD22 LEU 66 2HD2 LEU 66 11.459 -5.017 -4.972 504 HD23 LEU 66 3HD2 LEU 66 11.363 -5.637 -3.259 505 H SER 67 H SER 67 13.390 -4.975 -7.582 506 HA SER 67 HA SER 67 15.454 -3.631 -9.149 507 HB2 SER 67 1HB SER 67 15.370 -6.059 -9.329 508 HB3 SER 67 2HB SER 67 13.692 -5.972 -9.769 509 HG SER 67 HG SER 67 15.491 -6.062 -11.520 510 H LYS 68 H LYS 68 13.156 -2.514 -7.742 511 HA LYS 68 HA LYS 68 11.170 -1.451 -7.743 512 HB2 LYS 68 1HB LYS 68 10.862 -0.721 -10.397 513 HB3 LYS 68 2HB LYS 68 11.028 0.351 -9.057 514 HG2 LYS 68 1HG LYS 68 13.196 -0.704 -10.873 515 HG3 LYS 68 2HG LYS 68 12.700 0.986 -10.638 516 HD2 LYS 68 1HD LYS 68 13.726 1.012 -8.399 517 HD3 LYS 68 2HD LYS 68 13.095 -0.551 -8.500 518 HE2 LYS 68 1HE LYS 68 15.740 -0.313 -8.451 519 HE3 LYS 68 2HE LYS 68 14.999 -1.513 -9.503 520 HZ1 LYS 68 1HZ LYS 68 15.198 0.024 -11.348 521 HZ2 LYS 68 2HZ LYS 68 16.705 -0.276 -10.652 522 HZ3 LYS 68 3HZ LYS 68 15.915 1.187 -10.344 523 H THR 69 H THR 69 11.205 -3.529 -10.685 524 HA THR 69 HA THR 69 8.447 -3.091 -10.800 525 HB THR 69 HB THR 69 8.514 -4.341 -12.515 526 HG1 THR 69 1HG THR 69 10.830 -5.279 -13.181 527 HG21 THR 69 1HG2 THR 69 10.901 -2.686 -12.321 528 HG22 THR 69 2HG2 THR 69 9.298 -2.142 -12.876 529 HG23 THR 69 3HG2 THR 69 10.333 -3.166 -13.927 530 H GLN 70 H GLN 70 10.597 -5.276 -9.478 531 HA GLN 70 HA GLN 70 8.672 -7.399 -9.139 532 HB2 GLN 70 1HB GLN 70 10.416 -8.334 -7.614 533 HB3 GLN 70 2HB GLN 70 11.127 -7.833 -9.136 534 HG2 GLN 70 1HG GLN 70 11.948 -5.898 -8.275 535 HG3 GLN 70 2HG GLN 70 10.927 -6.263 -6.865 536 HE21 GLN 70 1HE2 GLN 70 12.963 -8.125 -5.306 537 HE22 GLN 70 2HE2 GLN 70 11.350 -7.530 -5.481 538 H LEU 71 H LEU 71 9.517 -4.513 -7.682 539 HA LEU 71 HA LEU 71 8.222 -4.872 -5.121 540 HB2 LEU 71 1HB LEU 71 10.312 -3.539 -5.737 541 HB3 LEU 71 2HB LEU 71 9.376 -2.426 -6.527 542 HG LEU 71 HG LEU 71 10.148 -2.615 -3.931 543 HD11 LEU 71 1HD1 LEU 71 9.561 -0.397 -3.747 544 HD12 LEU 71 2HD1 LEU 71 8.455 -0.541 -5.141 545 HD13 LEU 71 3HD1 LEU 71 10.213 -0.679 -5.347 546 HD21 LEU 71 1HD2 LEU 71 7.280 -2.762 -4.280 547 HD22 LEU 71 2HD2 LEU 71 8.019 -1.833 -2.979 548 HD23 LEU 71 3HD2 LEU 71 8.341 -3.588 -3.123 549 H ARG 72 H ARG 72 7.614 -3.293 -8.247 550 HA ARG 72 HA ARG 72 5.357 -1.974 -7.283 551 HB2 ARG 72 1HB ARG 72 4.855 -1.447 -9.728 552 HB3 ARG 72 2HB ARG 72 6.577 -1.348 -9.330 553 HG2 ARG 72 1HG ARG 72 6.686 -2.376 -11.252 554 HG3 ARG 72 2HG ARG 72 6.725 -3.599 -9.909 555 HD2 ARG 72 1HD ARG 72 5.260 -4.497 -11.687 556 HD3 ARG 72 2HD ARG 72 4.402 -3.892 -10.231 557 HE ARG 72 HE ARG 72 4.015 -1.820 -11.544 558 HH11 ARG 72 1HH1 ARG 72 4.151 -4.991 -13.127 559 HH12 ARG 72 2HH1 ARG 72 3.215 -4.559 -14.471 560 HH21 ARG 72 1HH2 ARG 72 2.683 -1.181 -13.408 561 HH22 ARG 72 2HH2 ARG 72 2.346 -2.301 -14.634 562 H SER 73 H SER 73 6.004 -5.034 -8.057 563 HA SER 73 HA SER 73 3.490 -5.930 -8.817 564 HB2 SER 73 1HB SER 73 5.162 -6.412 -9.878 565 HB3 SER 73 2HB SER 73 6.206 -6.775 -8.626 566 HG SER 73 HG SER 73 5.567 -8.913 -8.922 567 H ALA 74 H ALA 74 5.350 -5.518 -6.279 568 HA ALA 74 HA ALA 74 4.009 -7.368 -4.354 569 HB1 ALA 74 1HB ALA 74 6.372 -6.837 -3.954 570 HB2 ALA 74 2HB ALA 74 5.405 -6.149 -2.653 571 HB3 ALA 74 3HB ALA 74 5.998 -5.127 -3.957 572 H LEU 75 H LEU 75 3.852 -4.510 -5.696 573 HA LEU 75 HA LEU 75 2.073 -3.306 -3.816 574 HB2 LEU 75 1HB LEU 75 4.146 -3.148 -4.919 575 HB3 LEU 75 2HB LEU 75 3.783 -2.089 -6.030 576 HG LEU 75 HG LEU 75 3.780 -2.066 -2.982 577 HD11 LEU 75 1HD1 LEU 75 5.667 -0.940 -3.219 578 HD12 LEU 75 2HD1 LEU 75 5.044 -0.182 -4.646 579 HD13 LEU 75 3HD1 LEU 75 5.740 -1.825 -4.784 580 HD21 LEU 75 1HD2 LEU 75 3.179 0.044 -2.728 581 HD22 LEU 75 2HD2 LEU 75 2.043 -0.353 -4.041 582 HD23 LEU 75 3HD2 LEU 75 3.635 0.484 -4.350 583 H ARG 76 H ARG 76 1.512 -5.336 -5.461 584 HA ARG 76 HA ARG 76 -0.807 -4.715 -7.179 585 HB2 ARG 76 1HB ARG 76 1.666 -5.968 -8.001 586 HB3 ARG 76 2HB ARG 76 0.319 -7.088 -8.191 587 HG2 ARG 76 1HG ARG 76 0.949 -5.749 -10.196 588 HG3 ARG 76 2HG ARG 76 -0.743 -5.579 -9.697 589 HD2 ARG 76 1HD ARG 76 1.105 -4.047 -8.375 590 HD3 ARG 76 2HD ARG 76 0.958 -3.445 -10.092 591 HE ARG 76 HE ARG 76 -0.626 -2.877 -7.866 592 HH11 ARG 76 1HH1 ARG 76 -1.282 -4.015 -11.172 593 HH12 ARG 76 2HH1 ARG 76 -2.917 -3.536 -11.210 594 HH21 ARG 76 1HH2 ARG 76 -2.912 -2.234 -7.911 595 HH22 ARG 76 2HH2 ARG 76 -3.886 -2.480 -9.281 596 H LEU 77 H LEU 77 1.258 -6.965 -5.685 597 HA LEU 77 HA LEU 77 -0.294 -9.242 -5.422 598 HB2 LEU 77 1HB LEU 77 2.313 -8.738 -4.934 599 HB3 LEU 77 2HB LEU 77 1.781 -8.249 -3.563 600 HG LEU 77 HG LEU 77 0.571 -10.666 -3.609 601 HD11 LEU 77 1HD1 LEU 77 2.540 -11.041 -5.259 602 HD12 LEU 77 2HD1 LEU 77 2.761 -11.900 -3.686 603 HD13 LEU 77 3HD1 LEU 77 3.463 -10.275 -3.952 604 HD21 LEU 77 1HD2 LEU 77 1.154 -9.270 -1.796 605 HD22 LEU 77 2HD2 LEU 77 2.777 -9.279 -2.512 606 HD23 LEU 77 3HD2 LEU 77 2.184 -10.765 -1.690 607 H TYR 78 H TYR 78 0.738 -7.040 -3.003 608 HA TYR 78 HA TYR 78 -1.136 -8.184 -1.246 609 HB2 TYR 78 2HB TYR 78 0.188 -7.517 0.487 610 HB3 TYR 78 1HB TYR 78 1.328 -7.167 -0.775 611 HD1 TYR 78 1HD TYR 78 0.085 -6.056 2.041 612 HD2 TYR 78 2HD TYR 78 0.883 -4.801 -1.858 613 HE1 TYR 78 1HE TYR 78 0.205 -3.792 2.841 614 HE2 TYR 78 2HE TYR 78 0.959 -2.545 -1.187 615 HH TYR 78 HH TYR 78 0.726 -1.765 2.345 616 H THR 79 H THR 79 -0.927 -5.677 -3.330 617 HA THR 79 HA THR 79 -2.967 -3.964 -2.100 618 HB THR 79 HB THR 79 -2.789 -2.502 -3.931 619 HG1 THR 79 1HG THR 79 -2.772 -4.418 -5.496 620 HG21 THR 79 1HG2 THR 79 -0.991 -2.550 -2.472 621 HG22 THR 79 2HG2 THR 79 -0.320 -2.302 -4.117 622 HG23 THR 79 3HG2 THR 79 -0.300 -3.910 -3.327 623 H SER 80 H SER 80 -3.019 -6.764 -3.853 624 HA SER 80 HA SER 80 -5.753 -6.399 -4.691 625 HB2 SER 80 1HB SER 80 -3.970 -8.852 -4.785 626 HB3 SER 80 2HB SER 80 -5.600 -8.765 -5.455 627 HG SER 80 HG SER 80 -3.279 -7.374 -6.244 628 H SER 81 H SER 81 -4.293 -6.760 -1.750 629 HA SER 81 HA SER 81 -6.125 -8.687 -0.700 630 HB2 SER 81 1HB SER 81 -4.283 -8.628 0.515 631 HB3 SER 81 2HB SER 81 -4.116 -6.817 0.483 632 HG SER 81 HG SER 81 -5.513 -8.619 2.130 633 H TRP 82 H TRP 82 -7.553 -8.119 0.782 634 HA TRP 82 HA TRP 82 -9.334 -5.805 -0.061 635 HB2 TRP 82 2HB TRP 82 -10.150 -8.317 1.140 636 HB3 TRP 82 1HB TRP 82 -10.191 -7.072 2.347 637 HD1 TRP 82 1HD TRP 82 -10.752 -6.109 -1.079 638 HE1 TRP 82 1HE TRP 82 -13.194 -5.624 -1.393 639 HE3 TRP 82 3HE TRP 82 -12.389 -7.957 3.265 640 HZ2 TRP 82 2HZ TRP 82 -15.512 -5.918 0.028 641 HZ3 TRP 82 3HZ TRP 82 -14.749 -7.856 3.725 642 HH2 TRP 82 2HH TRP 82 -16.328 -6.831 2.004 643 H ARG 83 H ARG 83 -7.787 -6.744 2.701 644 HA ARG 83 HA ARG 83 -8.571 -4.419 4.049 645 HB2 ARG 83 1HB ARG 83 -7.153 -5.122 5.749 646 HB3 ARG 83 2HB ARG 83 -8.089 -6.400 5.010 647 HG2 ARG 83 1HG ARG 83 -6.109 -6.986 3.649 648 HG3 ARG 83 2HG ARG 83 -5.172 -5.979 4.764 649 HD2 ARG 83 1HD ARG 83 -7.047 -8.023 5.796 650 HD3 ARG 83 2HD ARG 83 -5.482 -8.491 5.195 651 HE ARG 83 HE ARG 83 -5.407 -6.387 7.117 652 HH11 ARG 83 1HH1 ARG 83 -5.413 -9.910 6.527 653 HH12 ARG 83 2HH1 ARG 83 -4.850 -10.370 8.039 654 HH21 ARG 83 1HH2 ARG 83 -4.527 -6.976 9.286 655 HH22 ARG 83 2HH2 ARG 83 -4.292 -8.613 9.694 656 H TYR 84 H TYR 84 -6.397 -4.873 1.731 657 HA TYR 84 HA TYR 84 -4.851 -2.558 2.074 658 HB2 TYR 84 2HB TYR 84 -4.290 -4.284 0.406 659 HB3 TYR 84 1HB TYR 84 -5.845 -4.083 -0.261 660 HD1 TYR 84 1HD TYR 84 -2.566 -1.955 -0.014 661 HD2 TYR 84 2HD TYR 84 -6.390 -2.772 -1.815 662 HE1 TYR 84 1HE TYR 84 -2.112 -0.431 -1.631 663 HE2 TYR 84 2HE TYR 84 -5.840 -1.134 -3.575 664 HH TYR 84 HH TYR 84 -2.628 0.158 -3.841 665 H LEU 85 H LEU 85 -7.646 -3.234 0.035 666 HA LEU 85 HA LEU 85 -8.081 -0.474 -0.402 667 HB2 LEU 85 1HB LEU 85 -10.069 -1.011 -1.597 668 HB3 LEU 85 2HB LEU 85 -8.415 -1.366 -2.292 669 HG LEU 85 HG LEU 85 -10.314 -2.891 -3.012 670 HD11 LEU 85 1HD1 LEU 85 -9.410 -4.980 -2.308 671 HD12 LEU 85 2HD1 LEU 85 -8.601 -4.091 -0.994 672 HD13 LEU 85 3HD1 LEU 85 -8.104 -3.803 -2.665 673 HD21 LEU 85 1HD2 LEU 85 -10.533 -3.389 -0.112 674 HD22 LEU 85 2HD2 LEU 85 -11.530 -4.175 -1.356 675 HD23 LEU 85 3HD2 LEU 85 -11.692 -2.433 -1.017 676 H TYR 86 H TYR 86 -8.813 -1.515 2.051 677 HA TYR 86 HA TYR 86 -11.510 -1.388 2.570 678 HB2 TYR 86 2HB TYR 86 -9.093 -1.172 3.633 679 HB3 TYR 86 1HB TYR 86 -10.180 -0.469 4.776 680 HD1 TYR 86 1HD TYR 86 -10.123 -2.315 6.580 681 HD2 TYR 86 2HD TYR 86 -10.508 -3.290 2.468 682 HE1 TYR 86 1HE TYR 86 -10.723 -4.572 7.180 683 HE2 TYR 86 2HE TYR 86 -11.079 -5.373 2.939 684 HH TYR 86 HH TYR 86 -10.828 -7.105 4.893 685 H GLY 87 H GLY 87 -9.079 0.727 1.894 686 HA2 GLY 87 1HA GLY 87 -10.521 3.016 1.414 687 HA3 GLY 87 2HA GLY 87 -9.623 3.309 2.897 688 H VAL 88 H VAL 88 -9.550 2.518 -0.506 689 HA VAL 88 HA VAL 88 -6.898 3.604 -0.319 690 HB VAL 88 HB VAL 88 -7.621 1.240 -1.994 691 HG11 VAL 88 1HG1 VAL 88 -5.279 1.240 -2.841 692 HG12 VAL 88 2HG1 VAL 88 -5.046 2.842 -2.115 693 HG13 VAL 88 3HG1 VAL 88 -6.193 2.629 -3.435 694 HG21 VAL 88 1HG2 VAL 88 -7.133 1.233 0.317 695 HG22 VAL 88 2HG2 VAL 88 -5.486 1.766 -0.019 696 HG23 VAL 88 3HG2 VAL 88 -6.076 0.159 -0.623 697 H LYS 89 H LYS 89 -9.580 4.210 -1.879 698 HA LYS 89 HA LYS 89 -8.719 4.287 -4.597 699 HB2 LYS 89 1HB LYS 89 -11.296 5.355 -3.502 700 HB3 LYS 89 2HB LYS 89 -10.843 5.713 -5.172 701 HG2 LYS 89 1HG LYS 89 -10.990 2.960 -3.992 702 HG3 LYS 89 2HG LYS 89 -12.317 3.745 -4.843 703 HD2 LYS 89 1HD LYS 89 -11.099 3.791 -6.884 704 HD3 LYS 89 2HD LYS 89 -9.593 3.339 -6.093 705 HE2 LYS 89 1HE LYS 89 -10.695 1.486 -7.360 706 HE3 LYS 89 2HE LYS 89 -10.392 1.134 -5.661 707 HZ1 LYS 89 1HZ LYS 89 -12.615 0.432 -6.458 708 HZ2 LYS 89 2HZ LYS 89 -13.045 2.072 -6.656 709 HZ3 LYS 89 3HZ LYS 89 -12.613 1.460 -5.135 710 HA PRO 90 HA PRO 90 -7.160 8.474 -4.387 711 HB2 PRO 90 2HB PRO 90 -8.198 10.389 -2.838 712 HB3 PRO 90 1HB PRO 90 -8.825 10.012 -4.434 713 HG2 PRO 90 2HG PRO 90 -10.282 9.607 -2.008 714 HG3 PRO 90 1HG PRO 90 -10.756 9.188 -3.660 715 HD2 PRO 90 2HD PRO 90 -9.557 7.404 -1.592 716 HD3 PRO 90 1HD PRO 90 -10.625 7.058 -2.957 717 H GLY 91 H GLY 91 -7.376 10.003 -1.475 718 HA2 GLY 91 1HA GLY 91 -5.107 8.863 -1.159 719 HA3 GLY 91 2HA GLY 91 -5.169 10.427 -0.388 720 H ALA 92 H ALA 92 -6.789 7.859 -0.536 721 HA ALA 92 HA ALA 92 -7.604 7.100 2.124 722 HB1 ALA 92 1HB ALA 92 -8.241 4.980 0.899 723 HB2 ALA 92 2HB ALA 92 -7.635 5.853 -0.514 724 HB3 ALA 92 3HB ALA 92 -8.974 6.524 0.421 725 H THR 93 H THR 93 -5.293 6.134 0.012 726 HA THR 93 HA THR 93 -3.829 4.150 0.990 727 HB THR 93 HB THR 93 -2.892 5.277 -0.773 728 HG1 THR 93 1HG THR 93 -0.891 6.216 0.096 729 HG21 THR 93 1HG2 THR 93 -3.278 7.827 0.737 730 HG22 THR 93 2HG2 THR 93 -4.073 7.233 -0.691 731 HG23 THR 93 3HG2 THR 93 -2.363 7.684 -0.752 732 H ARG 94 H ARG 94 -4.124 7.380 2.155 733 HA ARG 94 HA ARG 94 -3.490 8.584 3.822 734 HB2 ARG 94 1HB ARG 94 -3.059 6.014 5.223 735 HB3 ARG 94 2HB ARG 94 -3.034 7.688 5.840 736 HG2 ARG 94 1HG ARG 94 -5.371 5.949 4.898 737 HG3 ARG 94 2HG ARG 94 -5.186 6.678 6.483 738 HD2 ARG 94 1HD ARG 94 -6.045 7.966 3.882 739 HD3 ARG 94 2HD ARG 94 -6.879 7.839 5.388 740 HE ARG 94 HE ARG 94 -4.729 9.759 4.903 741 HH11 ARG 94 1HH1 ARG 94 -7.033 8.418 7.298 742 HH12 ARG 94 2HH1 ARG 94 -7.155 9.880 8.167 743 HH21 ARG 94 1HH2 ARG 94 -4.901 11.786 6.245 744 HH22 ARG 94 2HH2 ARG 94 -5.967 11.763 7.567 745 H VAL 95 H VAL 95 -1.381 6.638 2.239 746 HA VAL 95 HA VAL 95 0.826 7.975 3.419 747 HB VAL 95 HB VAL 95 1.999 6.200 4.057 748 HG11 VAL 95 1HG1 VAL 95 0.765 4.425 4.941 749 HG12 VAL 95 2HG1 VAL 95 -0.601 4.979 3.828 750 HG13 VAL 95 3HG1 VAL 95 -0.002 6.037 5.154 751 HG21 VAL 95 1HG2 VAL 95 2.311 5.588 2.019 752 HG22 VAL 95 2HG2 VAL 95 0.817 4.598 1.824 753 HG23 VAL 95 3HG2 VAL 95 2.162 4.112 2.941 754 H ASP 96 H ASP 96 2.354 8.040 2.403 755 HA ASP 96 HA ASP 96 3.329 6.985 -0.123 756 HB2 ASP 96 1HB ASP 96 4.590 9.121 -0.352 757 HB3 ASP 96 2HB ASP 96 2.888 9.541 -0.373 758 H LEU 97 H LEU 97 5.807 6.863 0.609 759 HA LEU 97 HA LEU 97 5.433 5.772 2.873 760 HB2 LEU 97 1HB LEU 97 8.068 5.687 1.587 761 HB3 LEU 97 2HB LEU 97 7.166 4.709 2.632 762 HG LEU 97 HG LEU 97 5.442 5.160 0.555 763 HD11 LEU 97 1HD1 LEU 97 7.610 5.771 -0.570 764 HD12 LEU 97 2HD1 LEU 97 6.680 4.412 -1.254 765 HD13 LEU 97 3HD1 LEU 97 8.084 4.098 -0.239 766 HD21 LEU 97 1HD2 LEU 97 5.608 3.478 1.999 767 HD22 LEU 97 2HD2 LEU 97 7.341 3.454 1.328 768 HD23 LEU 97 3HD2 LEU 97 5.902 2.959 0.252 769 H ASP 98 H ASP 98 5.293 8.655 3.177 770 HA ASP 98 HA ASP 98 6.977 8.931 5.486 771 HB2 ASP 98 1HB ASP 98 6.420 10.950 3.727 772 HB3 ASP 98 2HB ASP 98 4.903 10.808 4.610 773 H GLY 99 H GLY 99 3.719 9.025 4.117 774 HA2 GLY 99 1HA GLY 99 2.089 7.776 5.152 775 HA3 GLY 99 2HA GLY 99 2.414 8.327 6.693 776 H ASN 100 H ASN 100 2.271 10.121 3.599 777 HA ASN 100 HA ASN 100 0.137 12.062 4.214 778 HB2 ASN 100 1HB ASN 100 2.362 11.404 2.417 779 HB3 ASN 100 2HB ASN 100 1.286 12.479 1.737 780 HD21 ASN 100 1HD2 ASN 100 4.091 13.933 3.118 781 HD22 ASN 100 2HD2 ASN 100 3.816 12.596 2.073 782 HA PRO 101 HA PRO 101 -2.520 9.153 2.163 783 HB2 PRO 101 2HB PRO 101 -4.023 11.487 1.107 784 HB3 PRO 101 1HB PRO 101 -4.400 10.236 2.225 785 HG2 PRO 101 2HG PRO 101 -3.900 12.710 3.192 786 HG3 PRO 101 1HG PRO 101 -3.147 11.308 4.038 787 HD2 PRO 101 2HD PRO 101 -2.210 12.658 1.723 788 HD3 PRO 101 1HD PRO 101 -1.281 12.973 3.081 789 H CYS 102 H CYS 102 -0.568 8.945 0.711 790 HA CYS 102 HA CYS 102 0.785 9.395 -0.961 791 HB2 CYS 102 2HB CYS 102 -0.172 7.896 -2.197 792 HB3 CYS 102 1HB CYS 102 -1.771 8.398 -2.351 793 HG CYS 102 HG CYS 102 0.108 10.470 -4.018 794 H GLY 103 H GLY 103 -0.779 11.364 0.261 795 HA2 GLY 103 1HA GLY 103 -0.577 13.675 0.757 796 HA3 GLY 103 2HA GLY 103 0.529 13.764 -0.587 797 H GLU 104 H GLU 104 -2.100 12.296 -1.120 798 HA GLU 104 HA GLU 104 -3.086 14.101 -3.098 799 HB2 GLU 104 1HB GLU 104 -3.103 12.059 -4.112 800 HB3 GLU 104 2HB GLU 104 -2.824 11.377 -2.507 801 HG2 GLU 104 1HG GLU 104 -4.849 10.961 -2.034 802 HG3 GLU 104 2HG GLU 104 -5.566 11.936 -3.379 803 H LEU 105 H LEU 105 -4.415 12.525 -0.067 804 HA LEU 105 HA LEU 105 -6.680 14.367 -0.390 805 HB2 LEU 105 1HB LEU 105 -6.990 11.805 -1.215 806 HB3 LEU 105 2HB LEU 105 -7.025 11.594 0.400 807 HG LEU 105 HG LEU 105 -8.849 13.742 -0.485 808 HD11 LEU 105 1HD1 LEU 105 -8.886 10.971 -1.212 809 HD12 LEU 105 2HD1 LEU 105 -9.679 12.330 -2.062 810 HD13 LEU 105 3HD1 LEU 105 -10.399 11.574 -0.553 811 HD21 LEU 105 1HD2 LEU 105 -9.335 13.473 1.459 812 HD22 LEU 105 2HD2 LEU 105 -8.154 12.242 1.579 813 HD23 LEU 105 3HD2 LEU 105 -9.875 11.784 1.213 814 H ASP 106 H ASP 106 -7.869 14.693 1.264 815 HA ASP 106 HA ASP 106 -7.005 15.174 3.954 816 HB2 ASP 106 1HB ASP 106 -8.689 16.615 2.859 817 HB3 ASP 106 2HB ASP 106 -9.387 15.258 2.082 818 H GLU 107 H GLU 107 -9.346 14.036 4.981 819 HA GLU 107 HA GLU 107 -9.397 11.200 4.268 820 HB2 GLU 107 1HB GLU 107 -8.778 10.445 6.398 821 HB3 GLU 107 2HB GLU 107 -7.964 11.956 5.892 822 HG2 GLU 107 1HG GLU 107 -9.271 13.297 7.226 823 HG3 GLU 107 2HG GLU 107 -10.139 11.911 7.877 824 H GLN 108 H GLN 108 -11.287 13.710 4.458 825 HA GLN 108 HA GLN 108 -13.670 12.082 4.988 826 HB2 GLN 108 1HB GLN 108 -13.279 14.430 6.124 827 HB3 GLN 108 2HB GLN 108 -13.501 14.944 4.436 828 HG2 GLN 108 1HG GLN 108 -15.603 13.960 4.292 829 HG3 GLN 108 2HG GLN 108 -15.310 13.097 5.806 830 HE21 GLN 108 1HE2 GLN 108 -17.445 15.606 7.121 831 HE22 GLN 108 2HE2 GLN 108 -17.291 13.945 6.637 832 H HIS 109 H HIS 109 -11.407 12.581 2.829 833 HA HIS 109 HA HIS 109 -13.593 12.057 1.064 834 HB2 HIS 109 1HB HIS 109 -10.995 13.036 0.579 835 HB3 HIS 109 2HB HIS 109 -12.170 12.981 -0.783 836 HD1 HIS 109 HD1 HIS 109 -14.429 14.434 1.266 837 HD2 HIS 109 HD2 HIS 109 -10.686 15.938 0.249 838 HE1 HIS 109 HE1 HIS 109 -14.546 16.878 1.726 839 HE2 HIS 109 HE2 HIS 109 -12.148 17.531 1.646 840 H VAL 110 H VAL 110 -10.874 10.991 2.303 841 HA VAL 110 HA VAL 110 -11.139 8.998 0.495 842 HB VAL 110 HB VAL 110 -9.295 7.763 1.830 843 HG11 VAL 110 1HG1 VAL 110 -9.361 10.332 0.479 844 HG12 VAL 110 2HG1 VAL 110 -9.425 8.708 -0.300 845 HG13 VAL 110 3HG1 VAL 110 -7.898 9.333 0.342 846 HG21 VAL 110 1HG2 VAL 110 -9.093 10.617 2.533 847 HG22 VAL 110 2HG2 VAL 110 -7.849 9.398 2.888 848 HG23 VAL 110 3HG2 VAL 110 -9.440 9.343 3.726 849 H GLU 111 H GLU 111 -12.396 9.908 2.641 850 HA GLU 111 HA GLU 111 -13.372 8.028 4.495 851 HB2 GLU 111 1HB GLU 111 -13.444 10.413 4.554 852 HB3 GLU 111 2HB GLU 111 -14.482 10.728 3.506 853 HG2 GLU 111 1HG GLU 111 -15.306 8.600 5.187 854 HG3 GLU 111 2HG GLU 111 -15.469 10.237 5.955 855 H HIS 112 H HIS 112 -14.073 8.980 1.279 856 HA HIS 112 HA HIS 112 -16.259 7.186 1.136 857 HB2 HIS 112 1HB HIS 112 -14.801 8.783 -0.700 858 HB3 HIS 112 2HB HIS 112 -16.321 8.019 -1.268 859 HD1 HIS 112 HD1 HIS 112 -18.611 9.159 -0.368 860 HD2 HIS 112 HD2 HIS 112 -15.170 10.923 1.095 861 HE1 HIS 112 HE1 HIS 112 -19.391 11.139 0.938 862 HE2 HIS 112 HE2 HIS 112 -17.327 11.570 2.263 863 H ALA 113 H ALA 113 -13.068 7.007 0.828 864 HA ALA 113 HA ALA 113 -13.064 4.888 -0.926 865 HB1 ALA 113 1HB ALA 113 -11.063 5.593 0.949 866 HB2 ALA 113 2HB ALA 113 -11.572 6.785 -0.267 867 HB3 ALA 113 3HB ALA 113 -10.781 5.198 -0.789 868 H ARG 114 H ARG 114 -12.850 5.754 2.288 869 HA ARG 114 HA ARG 114 -12.357 3.502 3.521 870 HB2 ARG 114 1HB ARG 114 -12.418 5.844 4.516 871 HB3 ARG 114 2HB ARG 114 -14.093 5.815 4.262 872 HG2 ARG 114 1HG ARG 114 -12.985 3.855 6.219 873 HG3 ARG 114 2HG ARG 114 -13.264 5.534 6.667 874 HD2 ARG 114 1HD ARG 114 -15.296 3.526 5.682 875 HD3 ARG 114 2HD ARG 114 -15.216 4.262 7.280 876 HE ARG 114 HE ARG 114 -15.509 6.275 5.300 877 HH11 ARG 114 1HH1 ARG 114 -17.390 3.721 6.819 878 HH12 ARG 114 2HH1 ARG 114 -18.905 4.474 6.599 879 HH21 ARG 114 1HH2 ARG 114 -17.601 7.364 4.932 880 HH22 ARG 114 2HH2 ARG 114 -18.997 6.635 5.503 881 H LYS 115 H LYS 115 -15.222 4.548 1.625 882 HA LYS 115 HA LYS 115 -16.945 2.794 3.030 883 HB2 LYS 115 1HB LYS 115 -18.586 4.497 2.800 884 HB3 LYS 115 2HB LYS 115 -17.043 5.383 2.836 885 HG2 LYS 115 1HG LYS 115 -18.075 6.428 1.149 886 HG3 LYS 115 2HG LYS 115 -17.036 5.231 0.365 887 HD2 LYS 115 1HD LYS 115 -19.143 3.742 0.381 888 HD3 LYS 115 2HD LYS 115 -20.016 5.266 0.622 889 HE2 LYS 115 1HE LYS 115 -18.920 6.198 -1.314 890 HE3 LYS 115 2HE LYS 115 -18.028 4.663 -1.455 891 HZ1 LYS 115 1HZ LYS 115 -21.023 5.053 -1.885 892 HZ2 LYS 115 2HZ LYS 115 -20.287 3.592 -1.688 893 HZ3 LYS 115 3HZ LYS 115 -19.922 4.419 -3.019 894 H GLN 116 H GLN 116 -15.101 3.555 0.136 895 HA GLN 116 HA GLN 116 -16.823 2.206 -1.218 896 HB2 GLN 116 1HB GLN 116 -15.153 1.920 -3.108 897 HB3 GLN 116 2HB GLN 116 -15.397 3.552 -2.500 898 HG2 GLN 116 1HG GLN 116 -13.176 3.511 -2.589 899 HG3 GLN 116 2HG GLN 116 -13.526 2.920 -0.937 900 HE21 GLN 116 1HE2 GLN 116 -12.205 -0.319 -1.611 901 HE22 GLN 116 2HE2 GLN 116 -13.265 0.564 -0.618 902 H LEU 117 H LEU 117 -14.751 0.885 1.012 903 HA LEU 117 HA LEU 117 -15.045 -1.823 0.146 904 HB2 LEU 117 1HB LEU 117 -13.213 -1.621 1.047 905 HB3 LEU 117 2HB LEU 117 -13.118 -0.652 2.318 906 HG LEU 117 HG LEU 117 -15.063 -2.662 2.535 907 HD11 LEU 117 1HD1 LEU 117 -13.195 -4.506 2.455 908 HD12 LEU 117 2HD1 LEU 117 -12.267 -3.047 1.986 909 HD13 LEU 117 3HD1 LEU 117 -13.622 -3.597 0.962 910 HD21 LEU 117 1HD2 LEU 117 -14.317 -1.535 4.518 911 HD22 LEU 117 2HD2 LEU 117 -12.637 -1.968 4.197 912 HD23 LEU 117 3HD2 LEU 117 -13.800 -3.214 4.637 913 H GLU 118 H GLU 118 -17.076 0.518 1.523 914 HA GLU 118 HA GLU 118 -18.436 -1.575 2.676 915 HB2 GLU 118 1HB GLU 118 -18.313 0.570 3.959 916 HB3 GLU 118 2HB GLU 118 -19.174 1.380 2.661 917 HG2 GLU 118 1HG GLU 118 -20.665 0.946 4.543 918 HG3 GLU 118 2HG GLU 118 -21.171 0.016 3.134 919 H GLU 119 H GLU 119 -17.856 -0.631 -0.099 920 HA GLU 119 HA GLU 119 -20.414 -0.776 -1.294 921 HB2 GLU 119 1HB GLU 119 -17.666 -0.778 -2.442 922 HB3 GLU 119 2HB GLU 119 -19.120 -0.676 -3.480 923 HG2 GLU 119 1HG GLU 119 -18.429 1.050 -1.282 924 HG3 GLU 119 2HG GLU 119 -17.777 1.433 -2.903 925 H ALA 120 H ALA 120 -17.324 -2.253 -0.913 926 HA ALA 120 HA ALA 120 -17.727 -4.715 -2.175 927 HB1 ALA 120 1HB ALA 120 -15.673 -3.340 -1.865 928 HB2 ALA 120 2HB ALA 120 -15.604 -5.086 -1.684 929 HB3 ALA 120 3HB ALA 120 -15.644 -4.023 -0.227 930 H LYS 121 H LYS 121 -17.435 -3.951 1.076 931 HA LYS 121 HA LYS 121 -18.087 -6.328 2.276 932 HB2 LYS 121 1HB LYS 121 -17.937 -3.579 2.707 933 HB3 LYS 121 2HB LYS 121 -19.081 -4.400 3.861 934 HG2 LYS 121 1HG LYS 121 -17.290 -5.753 4.201 935 HG3 LYS 121 2HG LYS 121 -16.336 -4.879 3.039 936 HD2 LYS 121 1HD LYS 121 -15.976 -4.089 5.564 937 HD3 LYS 121 2HD LYS 121 -16.082 -3.201 4.013 938 HE2 LYS 121 1HE LYS 121 -17.281 -1.944 5.767 939 HE3 LYS 121 2HE LYS 121 -18.172 -2.524 4.349 940 HZ1 LYS 121 1HZ LYS 121 -19.385 -2.588 6.325 941 HZ2 LYS 121 2HZ LYS 121 -18.424 -3.795 7.045 942 HZ3 LYS 121 3HZ LYS 121 -19.338 -4.075 5.598 943 H ALA 122 H ALA 122 -20.113 -3.842 1.775 944 HA ALA 122 HA ALA 122 -22.397 -4.965 2.316 945 HB1 ALA 122 1HB ALA 122 -21.818 -2.778 1.985 946 HB2 ALA 122 2HB ALA 122 -23.384 -3.235 1.190 947 HB3 ALA 122 3HB ALA 122 -21.853 -3.059 0.236 948 H ARG 123 H ARG 123 -20.391 -5.686 -0.458 949 HA ARG 123 HA ARG 123 -22.569 -6.394 -1.993 950 HB2 ARG 123 1HB ARG 123 -21.111 -6.114 -3.757 951 HB3 ARG 123 2HB ARG 123 -20.023 -5.619 -2.427 952 HG2 ARG 123 1HG ARG 123 -19.344 -7.926 -2.183 953 HG3 ARG 123 2HG ARG 123 -20.148 -8.340 -3.712 954 HD2 ARG 123 1HD ARG 123 -18.711 -6.565 -4.801 955 HD3 ARG 123 2HD ARG 123 -18.027 -6.407 -3.157 956 HE ARG 123 HE ARG 123 -17.518 -8.948 -3.556 957 HH11 ARG 123 1HH1 ARG 123 -16.990 -6.360 -5.917 958 HH12 ARG 123 2HH1 ARG 123 -15.614 -7.122 -6.602 959 HH21 ARG 123 1HH2 ARG 123 -15.794 -9.876 -4.393 960 HH22 ARG 123 2HH2 ARG 123 -14.833 -9.281 -5.672 961 H VAL 124 H VAL 124 -20.446 -7.413 0.104 962 HA VAL 124 HA VAL 124 -20.124 -10.095 -0.796 963 HB VAL 124 HB VAL 124 -19.017 -8.664 1.512 964 HG11 VAL 124 1HG1 VAL 124 -17.395 -10.572 1.643 965 HG12 VAL 124 2HG1 VAL 124 -18.476 -11.366 0.433 966 HG13 VAL 124 3HG1 VAL 124 -19.102 -10.911 2.039 967 HG21 VAL 124 1HG2 VAL 124 -17.804 -9.409 -1.102 968 HG22 VAL 124 2HG2 VAL 124 -16.918 -8.765 0.313 969 HG23 VAL 124 3HG2 VAL 124 -18.240 -7.828 -0.411 970 H GLN 125 H GLN 125 -20.712 -8.469 1.830 971 HA GLN 125 HA GLN 125 -21.638 -8.630 3.801 972 HB2 GLN 125 1HB GLN 125 -22.182 -7.938 1.897 973 HB3 GLN 125 2HB GLN 125 -22.702 -7.128 2.750 974 HG2 GLN 125 1HG GLN 125 -23.982 -7.558 0.722 975 HG3 GLN 125 2HG GLN 125 -23.515 -9.259 0.861 976 HE21 GLN 125 1HE2 GLN 125 -27.260 -8.572 1.088 977 HE22 GLN 125 2HE2 GLN 125 -26.007 -7.985 0.034 978 H ALA 126 H ALA 126 -23.294 -11.058 1.838 979 HA ALA 126 HA ALA 126 -24.579 -12.010 4.021 980 HB1 ALA 126 1HB ALA 126 -25.486 -13.405 1.872 981 HB2 ALA 126 2HB ALA 126 -24.953 -11.764 1.269 982 HB3 ALA 126 3HB ALA 126 -26.061 -11.912 2.638 983 H GLN 127 H GLN 127 -23.617 -14.028 1.097 984 HA GLN 127 HA GLN 127 -22.231 -15.815 2.588 985 HB2 GLN 127 1HB GLN 127 -24.005 -15.466 0.453 986 HB3 GLN 127 2HB GLN 127 -22.541 -16.151 -0.157 987 HG2 GLN 127 1HG GLN 127 -24.163 -16.981 2.143 988 HG3 GLN 127 2HG GLN 127 -24.355 -17.769 0.571 989 HE21 GLN 127 1HE2 GLN 127 -22.191 -20.265 1.805 990 HE22 GLN 127 2HE2 GLN 127 -23.780 -19.849 1.264 991 H ARG 128 H ARG 128 -20.063 -15.820 2.426 992 HA ARG 128 HA ARG 128 -18.705 -13.951 1.341 993 HB2 ARG 128 1HB ARG 128 -17.728 -16.677 2.022 994 HB3 ARG 128 2HB ARG 128 -16.883 -15.472 1.013 995 HG2 ARG 128 1HG ARG 128 -17.898 -14.697 3.599 996 HG3 ARG 128 2HG ARG 128 -16.261 -15.427 3.461 997 HD2 ARG 128 1HD ARG 128 -17.497 -13.036 2.348 998 HD3 ARG 128 2HD ARG 128 -15.977 -13.031 3.280 999 HE ARG 128 HE ARG 128 -16.359 -13.884 0.434 1000 HH11 ARG 128 1HH1 ARG 128 -14.129 -12.624 2.856 1001 HH12 ARG 128 2HH1 ARG 128 -13.067 -11.924 1.715 1002 HH21 ARG 128 1HH2 ARG 128 -14.981 -12.836 -1.150 1003 HH22 ARG 128 2HH2 ARG 128 -13.581 -12.066 -0.647 1004 H ALA 129 H ALA 129 -19.872 -16.676 -0.294 1005 HA ALA 129 HA ALA 129 -18.300 -16.768 -2.430 1006 HB1 ALA 129 1HB ALA 129 -20.118 -17.758 -3.616 1007 HB2 ALA 129 2HB ALA 129 -21.181 -17.434 -2.190 1008 HB3 ALA 129 3HB ALA 129 -19.680 -18.418 -2.053 1009 H GLU 130 H GLU 130 -17.923 -15.257 -3.869 1010 HA GLU 130 HA GLU 130 -19.742 -13.788 -5.196 1011 HB2 GLU 130 1HB GLU 130 -18.819 -11.430 -4.428 1012 HB3 GLU 130 2HB GLU 130 -20.070 -12.221 -3.488 1013 HG2 GLU 130 1HG GLU 130 -18.593 -11.626 -1.739 1014 HG3 GLU 130 2HG GLU 130 -18.056 -13.227 -2.295 1015 H GLN 131 H GLN 131 -16.452 -13.596 -4.073 1016 HA GLN 131 HA GLN 131 -15.701 -14.109 -6.889 1017 HB2 GLN 131 1HB GLN 131 -13.695 -12.751 -6.761 1018 HB3 GLN 131 2HB GLN 131 -15.047 -11.762 -6.261 1019 HG2 GLN 131 1HG GLN 131 -14.381 -12.029 -3.929 1020 HG3 GLN 131 2HG GLN 131 -13.037 -13.055 -4.429 1021 HE21 GLN 131 1HE2 GLN 131 -11.107 -10.169 -4.343 1022 HE22 GLN 131 2HE2 GLN 131 -11.490 -11.706 -3.637 1023 H GLN 132 H GLN 132 -16.266 -15.756 -4.723 1024 HA GLN 132 HA GLN 132 -13.857 -16.951 -3.783 1025 HB2 GLN 132 1HB GLN 132 -16.724 -17.693 -3.531 1026 HB3 GLN 132 2HB GLN 132 -15.414 -18.715 -2.895 1027 HG2 GLN 132 1HG GLN 132 -15.936 -15.890 -2.280 1028 HG3 GLN 132 2HG GLN 132 -16.482 -17.208 -1.228 1029 HE21 GLN 132 1HE2 GLN 132 -12.713 -17.828 -0.841 1030 HE22 GLN 132 2HE2 GLN 132 -13.879 -18.647 -1.813 1031 H ALA 133 H ALA 133 -16.611 -17.941 -5.620 1032 HA ALA 133 HA ALA 133 -15.374 -19.235 -7.717 1033 HB1 ALA 133 1HB ALA 133 -15.057 -21.037 -6.097 1034 HB2 ALA 133 2HB ALA 133 -16.380 -21.451 -7.186 1035 HB3 ALA 133 3HB ALA 133 -16.730 -20.881 -5.548 Start of MODEL 6 1 H1 MET 1 1H MET 1 1.903 -13.299 20.900 2 H2 MET 1 2H MET 1 1.849 -14.975 20.576 3 H3 MET 1 3H MET 1 1.312 -14.325 22.072 4 HA MET 1 HA MET 1 0.043 -13.643 19.522 5 HB2 MET 1 1HB MET 1 -0.889 -15.454 21.776 6 HB3 MET 1 2HB MET 1 -1.893 -14.936 20.431 7 HG2 MET 1 1HG MET 1 -0.397 -16.123 18.883 8 HG3 MET 1 2HG MET 1 0.565 -16.669 20.251 9 HE1 MET 1 1HE MET 1 -1.986 -19.033 22.112 10 HE2 MET 1 2HE MET 1 -1.731 -17.322 22.441 11 HE3 MET 1 3HE MET 1 -0.349 -18.373 22.123 12 H GLY 2 H GLY 2 -1.910 -12.319 19.955 13 HA2 GLY 2 1HA GLY 2 -3.108 -10.787 21.153 14 HA3 GLY 2 2HA GLY 2 -2.213 -11.245 22.601 15 H SER 3 H SER 3 -1.098 -9.615 23.399 16 HA SER 3 HA SER 3 -0.496 -7.233 22.010 17 HB2 SER 3 1HB SER 3 0.498 -8.203 24.685 18 HB3 SER 3 2HB SER 3 0.270 -6.532 24.155 19 HG SER 3 HG SER 3 -1.744 -6.682 24.715 20 H SER 4 H SER 4 0.844 -9.425 20.739 21 HA SER 4 HA SER 4 3.639 -9.352 21.516 22 HB2 SER 4 1HB SER 4 2.317 -10.732 19.169 23 HB3 SER 4 2HB SER 4 3.955 -11.025 19.770 24 HG SER 4 HG SER 4 2.442 -11.203 21.822 25 H HIS 5 H HIS 5 1.659 -7.388 19.793 26 HA HIS 5 HA HIS 5 3.492 -6.615 17.662 27 HB2 HIS 5 1HB HIS 5 0.898 -6.520 17.555 28 HB3 HIS 5 2HB HIS 5 1.018 -5.116 18.601 29 HD1 HIS 5 HD1 HIS 5 2.615 -3.082 17.426 30 HD2 HIS 5 HD2 HIS 5 0.898 -5.925 14.933 31 HE1 HIS 5 HE1 HIS 5 2.613 -2.074 15.132 32 HE2 HIS 5 HE2 HIS 5 1.949 -4.000 13.650 33 H HIS 6 H HIS 6 4.997 -6.457 19.685 34 HA HIS 6 HA HIS 6 4.697 -4.205 21.424 35 HB2 HIS 6 1HB HIS 6 5.860 -6.365 22.038 36 HB3 HIS 6 2HB HIS 6 7.212 -5.848 21.043 37 HD1 HIS 6 HD1 HIS 6 5.479 -5.113 24.298 38 HD2 HIS 6 HD2 HIS 6 8.887 -3.909 22.233 39 HE1 HIS 6 HE1 HIS 6 6.835 -3.797 25.947 40 HE2 HIS 6 HE2 HIS 6 8.778 -2.908 24.614 41 H HIS 7 H HIS 7 5.819 -4.431 18.303 42 HA HIS 7 HA HIS 7 7.555 -2.103 18.466 43 HB2 HIS 7 1HB HIS 7 6.360 -3.481 16.009 44 HB3 HIS 7 2HB HIS 7 7.521 -2.166 15.989 45 HD1 HIS 7 HD1 HIS 7 7.667 -5.378 14.962 46 HD2 HIS 7 HD2 HIS 7 9.869 -3.418 17.918 47 HE1 HIS 7 HE1 HIS 7 9.763 -6.689 15.217 48 HE2 HIS 7 HE2 HIS 7 11.200 -5.308 16.691 49 H HIS 8 H HIS 8 6.641 -0.109 18.711 50 HA HIS 8 HA HIS 8 3.837 0.132 18.791 51 HB2 HIS 8 1HB HIS 8 5.379 1.532 20.188 52 HB3 HIS 8 2HB HIS 8 5.767 2.470 18.751 53 HD1 HIS 8 HD1 HIS 8 4.697 4.712 19.389 54 HD2 HIS 8 HD2 HIS 8 2.090 1.495 19.878 55 HE1 HIS 8 HE1 HIS 8 2.458 5.723 19.894 56 HE2 HIS 8 HE2 HIS 8 0.875 3.765 20.024 57 H HIS 9 H HIS 9 6.065 1.034 16.240 58 HA HIS 9 HA HIS 9 3.970 0.643 14.432 59 HB2 HIS 9 1HB HIS 9 3.714 2.746 13.301 60 HB3 HIS 9 2HB HIS 9 3.638 3.163 14.995 61 HD1 HIS 9 HD1 HIS 9 5.051 4.200 11.905 62 HD2 HIS 9 HD2 HIS 9 6.355 4.268 15.854 63 HE1 HIS 9 HE1 HIS 9 6.868 5.946 11.988 64 HE2 HIS 9 HE2 HIS 9 7.799 5.772 14.311 65 H HIS 10 H HIS 10 4.960 -0.876 13.585 66 HA HIS 10 HA HIS 10 6.772 -0.782 11.586 67 HB2 HIS 10 1HB HIS 10 8.507 -0.164 13.281 68 HB3 HIS 10 2HB HIS 10 7.998 -1.466 14.316 69 HD1 HIS 10 HD1 HIS 10 9.786 -1.018 10.890 70 HD2 HIS 10 HD2 HIS 10 9.513 -3.691 14.070 71 HE1 HIS 10 HE1 HIS 10 11.619 -2.636 10.580 72 HE2 HIS 10 HE2 HIS 10 10.984 -4.445 12.114 73 H SER 11 H SER 11 7.057 -3.082 10.957 74 HA SER 11 HA SER 11 4.683 -4.614 11.472 75 HB2 SER 11 1HB SER 11 5.924 -4.295 9.376 76 HB3 SER 11 2HB SER 11 7.239 -5.301 10.009 77 HG SER 11 HG SER 11 4.820 -5.866 8.994 78 H GLN 12 H GLN 12 5.634 -6.994 11.278 79 HA GLN 12 HA GLN 12 6.170 -7.486 14.091 80 HB2 GLN 12 1HB GLN 12 4.394 -8.978 12.181 81 HB3 GLN 12 2HB GLN 12 4.618 -9.315 13.903 82 HG2 GLN 12 1HG GLN 12 3.658 -7.224 14.520 83 HG3 GLN 12 2HG GLN 12 3.597 -6.686 12.835 84 HE21 GLN 12 1HE2 GLN 12 1.073 -9.811 13.505 85 HE22 GLN 12 2HE2 GLN 12 2.777 -9.952 13.774 86 H ASP 13 H ASP 13 7.908 -7.201 11.900 87 HA ASP 13 HA ASP 13 9.063 -9.602 11.222 88 HB2 ASP 13 1HB ASP 13 10.612 -7.964 10.360 89 HB3 ASP 13 2HB ASP 13 8.998 -7.601 9.812 90 HA PRO 14 HA PRO 14 11.893 -9.530 14.774 91 HB2 PRO 14 2HB PRO 14 14.275 -9.546 13.003 92 HB3 PRO 14 1HB PRO 14 13.659 -10.851 14.044 93 HG2 PRO 14 2HG PRO 14 13.526 -11.075 11.415 94 HG3 PRO 14 1HG PRO 14 12.182 -11.629 12.445 95 HD2 PRO 14 2HD PRO 14 12.460 -9.013 11.025 96 HD3 PRO 14 1HD PRO 14 11.074 -10.098 10.919 97 H MET 15 H MET 15 14.777 -8.329 14.135 98 HA MET 15 HA MET 15 13.951 -5.662 14.254 99 HB2 MET 15 1HB MET 15 16.180 -7.032 15.772 100 HB3 MET 15 2HB MET 15 16.086 -5.251 15.648 101 HG2 MET 15 1HG MET 15 14.269 -7.275 16.716 102 HG3 MET 15 2HG MET 15 15.427 -6.298 17.596 103 HE1 MET 15 1HE MET 15 15.034 -3.427 16.130 104 HE2 MET 15 2HE MET 15 15.163 -3.601 17.880 105 HE3 MET 15 3HE MET 15 13.851 -2.651 17.183 106 H GLU 16 H GLU 16 14.623 -7.496 12.090 107 HA GLU 16 HA GLU 16 16.147 -6.068 10.378 108 HB2 GLU 16 1HB GLU 16 18.126 -7.619 10.150 109 HB3 GLU 16 2HB GLU 16 18.140 -6.748 11.664 110 HG2 GLU 16 1HG GLU 16 18.837 -8.906 12.227 111 HG3 GLU 16 2HG GLU 16 17.137 -8.887 12.684 112 H ASN 17 H ASN 17 16.815 -8.414 8.705 113 HA ASN 17 HA ASN 17 14.552 -10.034 8.727 114 HB2 ASN 17 1HB ASN 17 13.683 -7.825 7.691 115 HB3 ASN 17 2HB ASN 17 14.862 -8.161 6.529 116 HD21 ASN 17 1HD2 ASN 17 12.089 -9.497 4.773 117 HD22 ASN 17 2HD2 ASN 17 12.839 -7.991 5.216 118 H GLN 18 H GLN 18 15.777 -11.447 8.650 119 HA GLN 18 HA GLN 18 17.986 -12.033 7.163 120 HB2 GLN 18 1HB GLN 18 16.125 -13.258 8.897 121 HB3 GLN 18 2HB GLN 18 16.890 -14.429 7.906 122 HG2 GLN 18 1HG GLN 18 17.999 -12.430 9.901 123 HG3 GLN 18 2HG GLN 18 18.168 -14.183 9.967 124 HE21 GLN 18 1HE2 GLN 18 21.235 -12.257 8.799 125 HE22 GLN 18 2HE2 GLN 18 19.979 -11.854 9.936 126 HA PRO 19 HA PRO 19 15.398 -14.590 3.895 127 HB2 PRO 19 2HB PRO 19 12.671 -13.693 4.648 128 HB3 PRO 19 1HB PRO 19 13.172 -15.312 4.051 129 HG2 PRO 19 2HG PRO 19 12.502 -14.931 6.550 130 HG3 PRO 19 1HG PRO 19 13.910 -15.936 6.143 131 HD2 PRO 19 2HD PRO 19 13.922 -13.156 7.277 132 HD3 PRO 19 1HD PRO 19 14.974 -14.533 7.523 133 H LYS 20 H LYS 20 16.149 -13.268 2.192 134 HA LYS 20 HA LYS 20 15.402 -10.846 1.815 135 HB2 LYS 20 1HB LYS 20 16.459 -13.031 0.145 136 HB3 LYS 20 2HB LYS 20 16.409 -11.347 -0.341 137 HG2 LYS 20 1HG LYS 20 17.846 -12.486 1.988 138 HG3 LYS 20 2HG LYS 20 18.653 -11.825 0.552 139 HD2 LYS 20 1HD LYS 20 18.687 -9.792 1.784 140 HD3 LYS 20 2HD LYS 20 16.963 -9.980 1.390 141 HE2 LYS 20 1HE LYS 20 16.849 -9.455 3.512 142 HE3 LYS 20 2HE LYS 20 16.620 -11.208 3.457 143 HZ1 LYS 20 1HZ LYS 20 18.743 -11.614 4.325 144 HZ2 LYS 20 2HZ LYS 20 18.000 -10.456 5.284 145 HZ3 LYS 20 3HZ LYS 20 19.232 -9.972 4.228 146 H LEU 21 H LEU 21 14.166 -9.988 -0.088 147 HA LEU 21 HA LEU 21 11.584 -10.546 -0.085 148 HB2 LEU 21 1HB LEU 21 13.476 -9.281 -1.857 149 HB3 LEU 21 2HB LEU 21 11.841 -8.809 -1.929 150 HG LEU 21 HG LEU 21 13.970 -8.206 -0.269 151 HD11 LEU 21 1HD1 LEU 21 11.488 -7.032 -0.152 152 HD12 LEU 21 2HD1 LEU 21 12.401 -7.075 -1.783 153 HD13 LEU 21 3HD1 LEU 21 13.089 -6.255 -0.304 154 HD21 LEU 21 1HD2 LEU 21 12.765 -7.631 1.568 155 HD22 LEU 21 2HD2 LEU 21 12.785 -9.424 1.190 156 HD23 LEU 21 3HD2 LEU 21 11.345 -8.377 0.677 157 H ASN 22 H ASN 22 13.711 -10.924 -2.794 158 HA ASN 22 HA ASN 22 13.942 -12.391 -4.471 159 HB2 ASN 22 1HB ASN 22 12.018 -14.228 -3.007 160 HB3 ASN 22 2HB ASN 22 13.294 -14.630 -4.150 161 HD21 ASN 22 1HD2 ASN 22 14.262 -14.827 -0.703 162 HD22 ASN 22 2HD2 ASN 22 12.728 -15.255 -1.394 163 H SER 23 H SER 23 11.612 -10.598 -3.965 164 HA SER 23 HA SER 23 10.508 -9.392 -5.475 165 HB2 SER 23 1HB SER 23 10.104 -9.948 -7.815 166 HB3 SER 23 2HB SER 23 11.646 -10.597 -7.363 167 HG SER 23 HG SER 23 10.569 -12.613 -6.962 168 H SER 24 H SER 24 8.609 -8.746 -5.527 169 HA SER 24 HA SER 24 6.615 -8.421 -5.202 170 HB2 SER 24 1HB SER 24 4.807 -10.018 -5.741 171 HB3 SER 24 2HB SER 24 6.054 -9.934 -6.972 172 HG SER 24 HG SER 24 6.962 -11.848 -5.714 173 H LYS 25 H LYS 25 5.712 -11.493 -3.582 174 HA LYS 25 HA LYS 25 4.161 -10.307 -1.823 175 HB2 LYS 25 1HB LYS 25 4.058 -12.474 -2.482 176 HB3 LYS 25 2HB LYS 25 5.706 -12.779 -2.057 177 HG2 LYS 25 1HG LYS 25 5.344 -13.172 -0.092 178 HG3 LYS 25 2HG LYS 25 4.400 -11.709 0.126 179 HD2 LYS 25 1HD LYS 25 3.053 -13.608 0.707 180 HD3 LYS 25 2HD LYS 25 2.585 -12.862 -0.857 181 HE2 LYS 25 1HE LYS 25 2.696 -15.407 -1.049 182 HE3 LYS 25 2HE LYS 25 3.711 -14.348 -2.074 183 HZ1 LYS 25 1HZ LYS 25 4.865 -15.528 0.403 184 HZ2 LYS 25 2HZ LYS 25 5.661 -14.862 -0.820 185 HZ3 LYS 25 3HZ LYS 25 4.959 -16.381 -1.047 186 H GLU 26 H GLU 26 7.125 -11.860 -1.226 187 HA GLU 26 HA GLU 26 7.162 -11.034 1.338 188 HB2 GLU 26 1HB GLU 26 9.310 -12.347 -0.278 189 HB3 GLU 26 2HB GLU 26 9.742 -11.751 1.308 190 HG2 GLU 26 1HG GLU 26 9.228 -14.145 1.325 191 HG3 GLU 26 2HG GLU 26 8.137 -13.234 2.349 192 H VAL 27 H VAL 27 7.851 -9.110 -1.224 193 HA VAL 27 HA VAL 27 9.735 -7.353 0.211 194 HB VAL 27 HB VAL 27 10.429 -6.569 -1.665 195 HG11 VAL 27 1HG1 VAL 27 10.078 -8.840 -1.924 196 HG12 VAL 27 2HG1 VAL 27 10.370 -7.874 -3.433 197 HG13 VAL 27 3HG1 VAL 27 8.646 -8.411 -2.959 198 HG21 VAL 27 1HG2 VAL 27 7.683 -6.466 -2.724 199 HG22 VAL 27 2HG2 VAL 27 9.143 -5.562 -3.313 200 HG23 VAL 27 3HG2 VAL 27 8.481 -5.325 -1.643 201 H ILE 28 H ILE 28 6.242 -7.722 -0.273 202 HA ILE 28 HA ILE 28 5.646 -5.145 0.444 203 HB ILE 28 HB ILE 28 4.569 -7.824 0.974 204 HG12 ILE 28 1HG1 ILE 28 3.510 -7.482 -1.200 205 HG13 ILE 28 2HG1 ILE 28 2.794 -6.586 -0.006 206 HG21 ILE 28 1HG2 ILE 28 2.445 -6.822 1.892 207 HG22 ILE 28 2HG2 ILE 28 3.164 -5.231 1.800 208 HG23 ILE 28 3HG2 ILE 28 3.848 -6.440 2.896 209 HD11 ILE 28 1HD1 ILE 28 3.510 -4.504 -0.455 210 HD12 ILE 28 2HD1 ILE 28 3.442 -5.285 -2.086 211 HD13 ILE 28 3HD1 ILE 28 4.962 -5.186 -1.179 212 H ALA 29 H ALA 29 6.443 -8.029 1.945 213 HA ALA 29 HA ALA 29 6.318 -7.234 4.421 214 HB1 ALA 29 1HB ALA 29 8.116 -9.124 3.180 215 HB2 ALA 29 2HB ALA 29 6.441 -9.377 3.678 216 HB3 ALA 29 3HB ALA 29 7.732 -9.125 4.937 217 H PHE 30 H PHE 30 9.145 -6.935 2.218 218 HA PHE 30 HA PHE 30 10.883 -5.795 4.059 219 HB2 PHE 30 2HB PHE 30 11.924 -6.250 2.221 220 HB3 PHE 30 1HB PHE 30 10.462 -6.010 1.217 221 HD1 PHE 30 1HD PHE 30 12.924 -4.157 3.175 222 HD2 PHE 30 2HD PHE 30 10.394 -4.354 -0.180 223 HE1 PHE 30 1HE PHE 30 13.831 -2.015 2.379 224 HE2 PHE 30 2HE PHE 30 11.248 -2.302 -0.968 225 HZ PHE 30 HZ PHE 30 13.003 -1.096 0.299 226 H LEU 31 H LEU 31 8.550 -4.542 1.757 227 HA LEU 31 HA LEU 31 8.897 -1.894 2.074 228 HB2 LEU 31 1HB LEU 31 6.796 -3.732 1.411 229 HB3 LEU 31 2HB LEU 31 6.239 -2.073 1.404 230 HG LEU 31 HG LEU 31 8.218 -3.516 -0.201 231 HD11 LEU 31 1HD1 LEU 31 6.995 -3.062 -1.830 232 HD12 LEU 31 2HD1 LEU 31 6.423 -1.473 -1.319 233 HD13 LEU 31 3HD1 LEU 31 5.711 -3.004 -0.597 234 HD21 LEU 31 1HD2 LEU 31 9.536 -1.846 0.272 235 HD22 LEU 31 2HD2 LEU 31 8.218 -0.646 0.449 236 HD23 LEU 31 3HD2 LEU 31 8.737 -1.180 -1.162 237 H ALA 32 H ALA 32 7.194 -4.135 3.861 238 HA ALA 32 HA ALA 32 5.852 -2.263 5.595 239 HB1 ALA 32 1HB ALA 32 5.119 -4.394 4.762 240 HB2 ALA 32 2HB ALA 32 4.889 -4.057 6.442 241 HB3 ALA 32 3HB ALA 32 6.292 -5.123 5.879 242 H GLU 33 H GLU 33 8.823 -4.006 5.740 243 HA GLU 33 HA GLU 33 8.953 -3.791 8.510 244 HB2 GLU 33 1HB GLU 33 11.038 -4.995 8.360 245 HB3 GLU 33 2HB GLU 33 9.828 -5.307 7.053 246 HG2 GLU 33 1HG GLU 33 10.926 -4.350 5.481 247 HG3 GLU 33 2HG GLU 33 11.869 -3.306 6.474 248 H ARG 34 H ARG 34 9.890 -2.351 5.857 249 HA ARG 34 HA ARG 34 11.709 -0.280 6.604 250 HB2 ARG 34 1HB ARG 34 11.160 -1.906 4.637 251 HB3 ARG 34 2HB ARG 34 10.455 -0.569 3.891 252 HG2 ARG 34 1HG ARG 34 12.635 -0.515 3.194 253 HG3 ARG 34 2HG ARG 34 12.583 0.493 4.712 254 HD2 ARG 34 1HD ARG 34 13.530 -1.052 6.034 255 HD3 ARG 34 2HD ARG 34 13.066 -2.325 4.909 256 HE ARG 34 HE ARG 34 14.975 -0.596 3.773 257 HH11 ARG 34 1HH1 ARG 34 14.673 -3.524 5.900 258 HH12 ARG 34 2HH1 ARG 34 16.288 -3.885 5.818 259 HH21 ARG 34 1HH2 ARG 34 17.159 -1.098 3.751 260 HH22 ARG 34 2HH2 ARG 34 17.837 -2.481 4.515 261 H PHE 35 H PHE 35 8.322 -0.402 5.397 262 HA PHE 35 HA PHE 35 8.104 2.378 6.126 263 HB2 PHE 35 2HB PHE 35 7.160 0.501 4.379 264 HB3 PHE 35 1HB PHE 35 5.918 1.647 4.453 265 HD1 PHE 35 1HD PHE 35 8.104 0.405 2.540 266 HD2 PHE 35 2HD PHE 35 7.847 4.082 4.584 267 HE1 PHE 35 1HE PHE 35 9.654 1.277 1.072 268 HE2 PHE 35 2HE PHE 35 9.426 5.050 3.065 269 HZ PHE 35 HZ PHE 35 10.419 3.595 1.212 270 HA PRO 36 HA PRO 36 5.669 0.700 9.814 271 HB2 PRO 36 2HB PRO 36 6.511 3.257 10.734 272 HB3 PRO 36 1HB PRO 36 7.034 1.664 11.411 273 HG2 PRO 36 2HG PRO 36 8.175 3.601 9.567 274 HG3 PRO 36 1HG PRO 36 9.005 2.401 10.596 275 HD2 PRO 36 2HD PRO 36 8.927 2.161 8.050 276 HD3 PRO 36 1HD PRO 36 8.693 0.737 9.074 277 H HIS 37 H HIS 37 4.683 2.298 7.346 278 HA HIS 37 HA HIS 37 2.369 3.347 8.724 279 HB2 HIS 37 1HB HIS 37 3.913 5.598 7.753 280 HB3 HIS 37 2HB HIS 37 3.186 4.944 6.358 281 HD1 HIS 37 HD1 HIS 37 2.594 7.515 8.577 282 HD2 HIS 37 HD2 HIS 37 0.278 4.612 6.763 283 HE1 HIS 37 HE1 HIS 37 0.254 8.428 8.664 284 HE2 HIS 37 HE2 HIS 37 -0.949 6.907 7.087 285 H CYS 38 H CYS 38 3.783 3.142 5.631 286 HA CYS 38 HA CYS 38 1.542 2.727 4.122 287 HB2 CYS 38 2HB CYS 38 4.072 3.196 3.419 288 HB3 CYS 38 1HB CYS 38 4.121 1.467 3.623 289 HG CYS 38 HG CYS 38 1.588 1.462 1.934 290 H PHE 39 H PHE 39 3.812 0.270 5.345 291 HA PHE 39 HA PHE 39 2.086 -1.578 3.991 292 HB2 PHE 39 2HB PHE 39 4.765 -0.961 4.500 293 HB3 PHE 39 1HB PHE 39 4.729 -2.550 4.111 294 HD1 PHE 39 1HD PHE 39 2.635 -2.304 1.827 295 HD2 PHE 39 2HD PHE 39 5.911 -0.019 3.134 296 HE1 PHE 39 1HE PHE 39 2.940 -1.432 -0.424 297 HE2 PHE 39 2HE PHE 39 6.259 0.832 1.178 298 HZ PHE 39 HZ PHE 39 4.755 0.213 -0.854 299 H SER 40 H SER 40 1.816 -3.605 4.876 300 HA SER 40 HA SER 40 1.765 -3.843 7.830 301 HB2 SER 40 1HB SER 40 0.636 -5.373 5.613 302 HB3 SER 40 2HB SER 40 0.540 -5.830 7.297 303 HG SER 40 HG SER 40 -0.194 -3.246 6.984 304 H ALA 41 H ALA 41 1.800 -6.645 6.151 305 HA ALA 41 HA ALA 41 3.463 -8.174 5.415 306 HB1 ALA 41 1HB ALA 41 4.824 -6.813 7.569 307 HB2 ALA 41 2HB ALA 41 5.072 -6.585 5.832 308 HB3 ALA 41 3HB ALA 41 5.660 -8.124 6.625 309 H GLU 42 H GLU 42 2.766 -6.829 8.274 310 HA GLU 42 HA GLU 42 2.293 -8.516 10.318 311 HB2 GLU 42 1HB GLU 42 1.091 -6.421 8.987 312 HB3 GLU 42 2HB GLU 42 0.435 -6.718 10.410 313 HG2 GLU 42 1HG GLU 42 3.274 -6.337 10.572 314 HG3 GLU 42 2HG GLU 42 2.715 -5.408 9.319 315 H GLY 43 H GLY 43 0.848 -7.467 7.751 316 HA2 GLY 43 1HA GLY 43 -1.456 -9.031 8.263 317 HA3 GLY 43 2HA GLY 43 -1.720 -7.343 7.989 318 H GLU 44 H GLU 44 -3.050 -9.015 6.335 319 HA GLU 44 HA GLU 44 -2.360 -9.789 3.939 320 HB2 GLU 44 1HB GLU 44 -4.645 -9.377 5.165 321 HB3 GLU 44 2HB GLU 44 -4.567 -7.848 4.301 322 HG2 GLU 44 1HG GLU 44 -4.497 -8.960 2.237 323 HG3 GLU 44 2HG GLU 44 -4.636 -10.548 3.021 324 H ALA 45 H ALA 45 -3.197 -6.427 4.741 325 HA ALA 45 HA ALA 45 -1.166 -5.200 3.252 326 HB1 ALA 45 1HB ALA 45 -2.393 -5.916 1.349 327 HB2 ALA 45 2HB ALA 45 -2.642 -4.171 1.527 328 HB3 ALA 45 3HB ALA 45 -3.916 -5.315 2.018 329 H ARG 46 H ARG 46 -2.543 -2.769 2.715 330 HA ARG 46 HA ARG 46 -4.095 -1.962 4.946 331 HB2 ARG 46 1HB ARG 46 -1.466 -1.943 5.554 332 HB3 ARG 46 2HB ARG 46 -1.452 -0.535 4.506 333 HG2 ARG 46 1HG ARG 46 -3.161 0.505 5.955 334 HG3 ARG 46 2HG ARG 46 -3.042 -0.877 7.044 335 HD2 ARG 46 1HD ARG 46 -0.956 1.195 6.384 336 HD3 ARG 46 2HD ARG 46 -1.732 0.909 7.934 337 HE ARG 46 HE ARG 46 0.488 -0.447 6.753 338 HH11 ARG 46 1HH1 ARG 46 -1.981 -0.727 9.310 339 HH12 ARG 46 2HH1 ARG 46 -1.000 -1.717 10.318 340 HH21 ARG 46 1HH2 ARG 46 1.816 -1.801 8.255 341 HH22 ARG 46 2HH2 ARG 46 1.111 -2.410 9.676 342 HA PRO 47 HA PRO 47 -5.111 0.579 1.381 343 HB2 PRO 47 2HB PRO 47 -5.234 3.001 3.140 344 HB3 PRO 47 1HB PRO 47 -6.521 2.408 2.043 345 HG2 PRO 47 2HG PRO 47 -6.728 2.097 4.660 346 HG3 PRO 47 1HG PRO 47 -7.262 0.837 3.531 347 HD2 PRO 47 2HD PRO 47 -4.872 0.904 5.277 348 HD3 PRO 47 1HD PRO 47 -5.869 -0.480 4.794 349 H LEU 48 H LEU 48 -3.877 1.511 -0.097 350 HA LEU 48 HA LEU 48 -1.456 2.930 0.589 351 HB2 LEU 48 1HB LEU 48 -0.561 0.840 0.680 352 HB3 LEU 48 2HB LEU 48 -1.729 0.078 -0.348 353 HG LEU 48 HG LEU 48 -0.608 1.528 -2.092 354 HD11 LEU 48 1HD1 LEU 48 1.007 2.587 -0.641 355 HD12 LEU 48 2HD1 LEU 48 1.805 1.279 -1.624 356 HD13 LEU 48 3HD1 LEU 48 1.303 0.956 0.021 357 HD21 LEU 48 1HD2 LEU 48 -0.707 -0.826 -2.154 358 HD22 LEU 48 2HD2 LEU 48 0.674 -0.810 -1.015 359 HD23 LEU 48 3HD2 LEU 48 0.845 -0.128 -2.647 360 H LYS 49 H LYS 49 -0.522 3.638 -1.696 361 HA LYS 49 HA LYS 49 -2.754 3.968 -3.443 362 HB2 LYS 49 1HB LYS 49 -0.613 5.739 -2.809 363 HB3 LYS 49 2HB LYS 49 -0.559 5.394 -4.461 364 HG2 LYS 49 1HG LYS 49 -3.138 6.323 -3.201 365 HG3 LYS 49 2HG LYS 49 -2.070 7.273 -4.235 366 HD2 LYS 49 1HD LYS 49 -2.473 5.821 -6.116 367 HD3 LYS 49 2HD LYS 49 -3.393 4.694 -5.138 368 HE2 LYS 49 1HE LYS 49 -4.897 6.030 -6.481 369 HE3 LYS 49 2HE LYS 49 -5.103 6.452 -4.785 370 HZ1 LYS 49 1HZ LYS 49 -3.777 8.394 -5.117 371 HZ2 LYS 49 2HZ LYS 49 -5.064 8.458 -6.039 372 HZ3 LYS 49 3HZ LYS 49 -3.555 8.107 -6.763 373 H ILE 50 H ILE 50 -1.599 3.911 -5.759 374 HA ILE 50 HA ILE 50 0.405 1.780 -5.738 375 HB ILE 50 HB ILE 50 -1.901 2.127 -7.450 376 HG12 ILE 50 1HG1 ILE 50 -0.108 -0.102 -6.477 377 HG13 ILE 50 2HG1 ILE 50 -1.550 0.516 -5.689 378 HG21 ILE 50 1HG2 ILE 50 -0.052 2.664 -8.962 379 HG22 ILE 50 2HG2 ILE 50 -0.711 1.015 -9.359 380 HG23 ILE 50 3HG2 ILE 50 0.741 1.251 -8.309 381 HD11 ILE 50 1HD1 ILE 50 -1.877 -1.590 -6.799 382 HD12 ILE 50 2HD1 ILE 50 -1.384 -0.808 -8.320 383 HD13 ILE 50 3HD1 ILE 50 -2.846 -0.212 -7.431 384 H GLY 51 H GLY 51 0.033 4.775 -6.923 385 HA2 GLY 51 1HA GLY 51 2.557 4.812 -8.379 386 HA3 GLY 51 2HA GLY 51 1.612 6.214 -7.878 387 H ILE 52 H ILE 52 1.862 4.973 -4.870 388 HA ILE 52 HA ILE 52 4.020 6.026 -3.732 389 HB ILE 52 HB ILE 52 2.465 4.828 -2.369 390 HG12 ILE 52 1HG1 ILE 52 5.032 3.541 -2.826 391 HG13 ILE 52 2HG1 ILE 52 4.735 4.771 -1.724 392 HG21 ILE 52 1HG2 ILE 52 2.769 2.793 -4.512 393 HG22 ILE 52 2HG2 ILE 52 1.388 3.038 -3.372 394 HG23 ILE 52 3HG2 ILE 52 2.887 2.232 -2.874 395 HD11 ILE 52 1HD1 ILE 52 4.649 2.122 -1.479 396 HD12 ILE 52 2HD1 ILE 52 2.921 2.664 -1.467 397 HD13 ILE 52 3HD1 ILE 52 4.011 3.268 -0.234 398 H PHE 53 H PHE 53 3.892 3.076 -5.686 399 HA PHE 53 HA PHE 53 5.944 1.714 -4.813 400 HB2 PHE 53 2HB PHE 53 4.696 0.919 -6.293 401 HB3 PHE 53 1HB PHE 53 4.719 2.237 -7.450 402 HD1 PHE 53 1HD PHE 53 6.455 2.247 -9.181 403 HD2 PHE 53 2HD PHE 53 6.588 -0.119 -5.825 404 HE1 PHE 53 1HE PHE 53 8.538 0.996 -10.102 405 HE2 PHE 53 2HE PHE 53 8.274 -1.389 -6.673 406 HZ PHE 53 HZ PHE 53 9.385 -0.891 -8.715 407 H GLN 54 H GLN 54 5.911 4.185 -7.067 408 HA GLN 54 HA GLN 54 8.554 4.654 -7.880 409 HB2 GLN 54 1HB GLN 54 6.470 5.412 -8.774 410 HB3 GLN 54 2HB GLN 54 6.180 5.776 -7.234 411 HG2 GLN 54 1HG GLN 54 8.169 7.242 -7.455 412 HG3 GLN 54 2HG GLN 54 7.220 7.949 -8.908 413 HE21 GLN 54 1HE2 GLN 54 7.075 7.464 -5.073 414 HE22 GLN 54 2HE2 GLN 54 6.103 6.428 -5.802 415 H ASP 55 H ASP 55 7.329 5.088 -5.094 416 HA ASP 55 HA ASP 55 9.101 7.213 -4.266 417 HB2 ASP 55 1HB ASP 55 6.399 6.693 -3.427 418 HB3 ASP 55 2HB ASP 55 7.326 6.052 -2.414 419 H LEU 56 H LEU 56 7.811 4.324 -3.341 420 HA LEU 56 HA LEU 56 9.302 3.275 -1.374 421 HB2 LEU 56 1HB LEU 56 8.014 2.593 -3.926 422 HB3 LEU 56 2HB LEU 56 7.938 2.947 -2.260 423 HG LEU 56 HG LEU 56 8.536 0.375 -2.518 424 HD11 LEU 56 1HD1 LEU 56 8.287 2.085 -0.486 425 HD12 LEU 56 2HD1 LEU 56 7.199 0.656 -0.614 426 HD13 LEU 56 3HD1 LEU 56 6.701 2.219 -1.316 427 HD21 LEU 56 1HD2 LEU 56 6.130 0.542 -2.309 428 HD22 LEU 56 2HD2 LEU 56 6.943 0.569 -3.911 429 HD23 LEU 56 3HD2 LEU 56 6.468 2.129 -3.006 430 H VAL 57 H VAL 57 9.567 3.282 -4.636 431 HA VAL 57 HA VAL 57 11.890 1.923 -4.681 432 HB VAL 57 HB VAL 57 12.187 2.433 -6.968 433 HG11 VAL 57 1HG1 VAL 57 9.391 2.219 -6.812 434 HG12 VAL 57 2HG1 VAL 57 10.100 1.596 -5.379 435 HG13 VAL 57 3HG1 VAL 57 10.620 0.828 -6.989 436 HG21 VAL 57 1HG2 VAL 57 9.979 4.401 -6.483 437 HG22 VAL 57 2HG2 VAL 57 10.445 3.722 -8.058 438 HG23 VAL 57 3HG2 VAL 57 11.645 4.607 -7.024 439 H ASP 58 H ASP 58 11.468 5.366 -4.562 440 HA ASP 58 HA ASP 58 13.879 6.334 -5.282 441 HB2 ASP 58 1HB ASP 58 11.741 7.147 -3.834 442 HB3 ASP 58 2HB ASP 58 12.935 6.924 -2.697 443 H ARG 59 H ARG 59 12.658 4.776 -2.546 444 HA ARG 59 HA ARG 59 14.694 5.104 -0.651 445 HB2 ARG 59 1HB ARG 59 12.013 4.591 -1.000 446 HB3 ARG 59 2HB ARG 59 12.607 4.180 0.656 447 HG2 ARG 59 1HG ARG 59 13.102 6.580 0.922 448 HG3 ARG 59 2HG ARG 59 12.744 6.891 -0.773 449 HD2 ARG 59 1HD ARG 59 10.623 7.302 -0.223 450 HD3 ARG 59 2HD ARG 59 10.501 5.619 0.299 451 HE ARG 59 HE ARG 59 11.471 6.647 2.492 452 HH11 ARG 59 1HH1 ARG 59 8.854 8.141 0.430 453 HH12 ARG 59 2HH1 ARG 59 8.317 9.086 1.717 454 HH21 ARG 59 1HH2 ARG 59 10.473 8.108 4.247 455 HH22 ARG 59 2HH2 ARG 59 9.179 9.090 3.700 456 H VAL 60 H VAL 60 12.348 2.546 -1.658 457 HA VAL 60 HA VAL 60 13.133 0.692 0.039 458 HB VAL 60 HB VAL 60 11.836 -0.712 -1.467 459 HG11 VAL 60 1HG1 VAL 60 10.796 0.338 0.021 460 HG12 VAL 60 2HG1 VAL 60 10.128 0.954 -1.674 461 HG13 VAL 60 3HG1 VAL 60 11.207 1.985 -0.655 462 HG21 VAL 60 1HG2 VAL 60 11.979 -0.181 -3.562 463 HG22 VAL 60 2HG2 VAL 60 12.253 1.465 -3.045 464 HG23 VAL 60 3HG2 VAL 60 10.597 0.902 -3.114 465 H ALA 61 H ALA 61 13.958 1.119 -3.185 466 HA ALA 61 HA ALA 61 13.772 -1.398 -3.821 467 HB1 ALA 61 1HB ALA 61 13.615 0.354 -5.176 468 HB2 ALA 61 2HB ALA 61 14.528 -1.010 -5.850 469 HB3 ALA 61 3HB ALA 61 15.381 0.488 -5.316 470 H GLY 62 H GLY 62 16.665 -0.317 -4.236 471 HA2 GLY 62 1HA GLY 62 17.359 -3.092 -3.971 472 HA3 GLY 62 2HA GLY 62 18.325 -2.103 -4.985 473 H GLU 63 H GLU 63 17.131 -1.685 -1.979 474 HA GLU 63 HA GLU 63 19.356 -1.163 -0.441 475 HB2 GLU 63 1HB GLU 63 16.657 -2.082 -0.042 476 HB3 GLU 63 2HB GLU 63 17.611 -2.195 1.371 477 HG2 GLU 63 1HG GLU 63 18.020 0.442 0.558 478 HG3 GLU 63 2HG GLU 63 16.455 0.031 -0.188 479 H MET 64 H MET 64 17.259 -3.962 -0.720 480 HA MET 64 HA MET 64 19.428 -5.739 0.015 481 HB2 MET 64 1HB MET 64 16.741 -6.731 0.308 482 HB3 MET 64 2HB MET 64 18.181 -7.163 1.129 483 HG2 MET 64 1HG MET 64 16.675 -6.265 2.682 484 HG3 MET 64 2HG MET 64 18.025 -5.125 2.516 485 HE1 MET 64 1HE MET 64 15.204 -5.765 -0.100 486 HE2 MET 64 2HE MET 64 14.101 -4.420 0.294 487 HE3 MET 64 3HE MET 64 14.121 -5.776 1.330 488 H ASN 65 H ASN 65 16.471 -5.915 -1.414 489 HA ASN 65 HA ASN 65 17.584 -7.483 -3.448 490 HB2 ASN 65 1HB ASN 65 15.078 -8.189 -2.201 491 HB3 ASN 65 2HB ASN 65 16.265 -9.109 -3.101 492 HD21 ASN 65 1HD2 ASN 65 17.845 -9.737 -0.177 493 HD22 ASN 65 2HD2 ASN 65 18.113 -9.612 -1.823 494 H LEU 66 H LEU 66 16.508 -4.885 -4.178 495 HA LEU 66 HA LEU 66 14.124 -5.681 -5.842 496 HB2 LEU 66 1HB LEU 66 14.759 -3.958 -3.933 497 HB3 LEU 66 2HB LEU 66 13.885 -2.951 -4.955 498 HG LEU 66 HG LEU 66 13.545 -4.658 -2.687 499 HD11 LEU 66 1HD1 LEU 66 11.920 -2.592 -4.006 500 HD12 LEU 66 2HD1 LEU 66 12.971 -2.484 -2.605 501 HD13 LEU 66 3HD1 LEU 66 11.435 -3.392 -2.497 502 HD21 LEU 66 1HD2 LEU 66 11.475 -5.754 -3.177 503 HD22 LEU 66 2HD2 LEU 66 12.965 -6.071 -4.160 504 HD23 LEU 66 3HD2 LEU 66 11.628 -5.183 -4.915 505 H SER 67 H SER 67 14.108 -5.150 -7.615 506 HA SER 67 HA SER 67 15.982 -3.261 -8.848 507 HB2 SER 67 1HB SER 67 16.224 -5.577 -9.412 508 HB3 SER 67 2HB SER 67 14.499 -5.728 -9.679 509 HG SER 67 HG SER 67 16.499 -4.943 -11.384 510 H LYS 68 H LYS 68 13.496 -2.626 -7.476 511 HA LYS 68 HA LYS 68 11.470 -1.509 -7.505 512 HB2 LYS 68 1HB LYS 68 11.588 -0.851 -10.281 513 HB3 LYS 68 2HB LYS 68 10.893 0.142 -9.061 514 HG2 LYS 68 1HG LYS 68 13.654 0.101 -10.136 515 HG3 LYS 68 2HG LYS 68 12.623 1.471 -9.697 516 HD2 LYS 68 1HD LYS 68 12.940 0.910 -7.321 517 HD3 LYS 68 2HD LYS 68 13.525 -0.527 -8.006 518 HE2 LYS 68 1HE LYS 68 15.506 0.878 -7.256 519 HE3 LYS 68 2HE LYS 68 15.483 0.825 -9.013 520 HZ1 LYS 68 1HZ LYS 68 15.835 3.093 -8.273 521 HZ2 LYS 68 2HZ LYS 68 14.476 3.057 -7.304 522 HZ3 LYS 68 3HZ LYS 68 14.302 3.003 -8.988 523 H THR 69 H THR 69 11.748 -3.416 -10.529 524 HA THR 69 HA THR 69 8.978 -3.216 -10.733 525 HB THR 69 HB THR 69 9.193 -4.522 -12.397 526 HG1 THR 69 1HG THR 69 11.786 -5.094 -12.855 527 HG21 THR 69 1HG2 THR 69 11.455 -2.668 -12.212 528 HG22 THR 69 2HG2 THR 69 9.825 -2.279 -12.806 529 HG23 THR 69 3HG2 THR 69 10.947 -3.257 -13.800 530 H GLN 70 H GLN 70 11.184 -5.297 -9.435 531 HA GLN 70 HA GLN 70 9.368 -7.513 -8.960 532 HB2 GLN 70 1HB GLN 70 11.163 -8.358 -7.487 533 HB3 GLN 70 2HB GLN 70 11.777 -8.015 -9.076 534 HG2 GLN 70 1HG GLN 70 12.688 -5.995 -8.331 535 HG3 GLN 70 2HG GLN 70 11.737 -6.344 -6.856 536 HE21 GLN 70 1HE2 GLN 70 13.707 -8.350 -5.403 537 HE22 GLN 70 2HE2 GLN 70 12.135 -7.686 -5.553 538 H LEU 71 H LEU 71 9.660 -4.545 -7.691 539 HA LEU 71 HA LEU 71 8.390 -5.090 -5.083 540 HB2 LEU 71 1HB LEU 71 10.526 -3.675 -5.533 541 HB3 LEU 71 2HB LEU 71 9.597 -2.594 -6.346 542 HG LEU 71 HG LEU 71 10.116 -2.888 -3.657 543 HD11 LEU 71 1HD1 LEU 71 10.502 -0.885 -5.017 544 HD12 LEU 71 2HD1 LEU 71 9.690 -0.611 -3.532 545 HD13 LEU 71 3HD1 LEU 71 8.733 -0.693 -5.062 546 HD21 LEU 71 1HD2 LEU 71 7.913 -1.958 -3.012 547 HD22 LEU 71 2HD2 LEU 71 8.191 -3.718 -3.161 548 HD23 LEU 71 3HD2 LEU 71 7.346 -2.848 -4.443 549 H ARG 72 H ARG 72 8.063 -3.429 -8.208 550 HA ARG 72 HA ARG 72 5.757 -2.180 -7.384 551 HB2 ARG 72 1HB ARG 72 5.317 -1.633 -9.854 552 HB3 ARG 72 2HB ARG 72 7.018 -1.492 -9.382 553 HG2 ARG 72 1HG ARG 72 7.208 -2.472 -11.345 554 HG3 ARG 72 2HG ARG 72 7.298 -3.680 -10.008 555 HD2 ARG 72 1HD ARG 72 5.944 -4.751 -11.705 556 HD3 ARG 72 2HD ARG 72 4.944 -4.054 -10.392 557 HE ARG 72 HE ARG 72 4.966 -2.087 -12.196 558 HH11 ARG 72 1HH1 ARG 72 4.083 -5.513 -12.506 559 HH12 ARG 72 2HH1 ARG 72 3.013 -5.303 -13.803 560 HH21 ARG 72 1HH2 ARG 72 3.455 -1.769 -14.054 561 HH22 ARG 72 2HH2 ARG 72 2.654 -3.108 -14.699 562 H SER 73 H SER 73 6.369 -5.402 -8.308 563 HA SER 73 HA SER 73 3.886 -6.179 -9.144 564 HB2 SER 73 1HB SER 73 5.168 -8.190 -8.986 565 HB3 SER 73 2HB SER 73 6.019 -6.724 -9.720 566 HG SER 73 HG SER 73 7.136 -8.175 -8.118 567 H ALA 74 H ALA 74 5.577 -5.786 -6.424 568 HA ALA 74 HA ALA 74 3.990 -7.444 -4.530 569 HB1 ALA 74 1HB ALA 74 5.271 -6.141 -2.805 570 HB2 ALA 74 2HB ALA 74 6.040 -5.243 -4.124 571 HB3 ALA 74 3HB ALA 74 6.309 -6.953 -3.950 572 H LEU 75 H LEU 75 3.900 -4.645 -5.995 573 HA LEU 75 HA LEU 75 2.165 -3.375 -4.072 574 HB2 LEU 75 1HB LEU 75 4.241 -3.293 -5.020 575 HB3 LEU 75 2HB LEU 75 4.043 -2.279 -6.201 576 HG LEU 75 HG LEU 75 3.805 -2.108 -3.182 577 HD11 LEU 75 1HD1 LEU 75 5.809 -1.942 -4.933 578 HD12 LEU 75 2HD1 LEU 75 5.696 -1.116 -3.361 579 HD13 LEU 75 3HD1 LEU 75 5.172 -0.269 -4.824 580 HD21 LEU 75 1HD2 LEU 75 3.180 -0.020 -3.050 581 HD22 LEU 75 2HD2 LEU 75 2.135 -0.447 -4.437 582 HD23 LEU 75 3HD2 LEU 75 3.748 0.379 -4.647 583 H ARG 76 H ARG 76 1.938 -5.137 -6.833 584 HA ARG 76 HA ARG 76 -0.706 -4.060 -7.301 585 HB2 ARG 76 1HB ARG 76 0.998 -5.828 -9.036 586 HB3 ARG 76 2HB ARG 76 -0.743 -5.907 -9.197 587 HG2 ARG 76 1HG ARG 76 0.121 -4.475 -10.905 588 HG3 ARG 76 2HG ARG 76 -0.729 -3.466 -9.733 589 HD2 ARG 76 1HD ARG 76 1.835 -4.014 -9.014 590 HD3 ARG 76 2HD ARG 76 1.931 -3.099 -10.587 591 HE ARG 76 HE ARG 76 0.637 -2.317 -8.032 592 HH11 ARG 76 1HH1 ARG 76 2.505 -1.223 -10.778 593 HH12 ARG 76 2HH1 ARG 76 3.186 0.143 -9.986 594 HH21 ARG 76 1HH2 ARG 76 1.603 -0.582 -6.902 595 HH22 ARG 76 2HH2 ARG 76 2.625 0.550 -7.656 596 H LEU 77 H LEU 77 1.218 -6.476 -6.005 597 HA LEU 77 HA LEU 77 -0.346 -8.817 -6.050 598 HB2 LEU 77 1HB LEU 77 2.264 -8.439 -5.448 599 HB3 LEU 77 2HB LEU 77 1.700 -7.977 -4.077 600 HG LEU 77 HG LEU 77 0.446 -10.368 -4.243 601 HD11 LEU 77 1HD1 LEU 77 3.354 -10.065 -4.364 602 HD12 LEU 77 2HD1 LEU 77 2.513 -10.646 -5.832 603 HD13 LEU 77 3HD1 LEU 77 2.605 -11.669 -4.342 604 HD21 LEU 77 1HD2 LEU 77 1.962 -10.556 -2.251 605 HD22 LEU 77 2HD2 LEU 77 1.006 -9.030 -2.389 606 HD23 LEU 77 3HD2 LEU 77 2.675 -9.111 -3.031 607 H TYR 78 H TYR 78 0.660 -6.807 -3.404 608 HA TYR 78 HA TYR 78 -1.294 -8.046 -1.828 609 HB2 TYR 78 2HB TYR 78 -0.086 -7.419 0.042 610 HB3 TYR 78 1HB TYR 78 1.149 -7.141 -1.151 611 HD1 TYR 78 1HD TYR 78 0.045 -5.980 1.631 612 HD2 TYR 78 2HD TYR 78 0.672 -4.730 -2.298 613 HE1 TYR 78 1HE TYR 78 0.206 -3.712 2.423 614 HE2 TYR 78 2HE TYR 78 0.776 -2.489 -1.650 615 HH TYR 78 HH TYR 78 0.873 -1.613 1.825 616 H THR 79 H THR 79 -1.120 -5.539 -3.847 617 HA THR 79 HA THR 79 -3.125 -3.812 -2.563 618 HB THR 79 HB THR 79 -2.959 -2.351 -4.407 619 HG1 THR 79 1HG THR 79 -2.887 -3.872 -6.117 620 HG21 THR 79 1HG2 THR 79 -0.302 -3.552 -3.858 621 HG22 THR 79 2HG2 THR 79 -1.276 -2.613 -2.750 622 HG23 THR 79 3HG2 THR 79 -0.668 -1.844 -4.243 623 H SER 80 H SER 80 -3.156 -6.567 -4.395 624 HA SER 80 HA SER 80 -5.891 -6.205 -5.230 625 HB2 SER 80 1HB SER 80 -4.059 -8.621 -5.405 626 HB3 SER 80 2HB SER 80 -5.682 -8.529 -6.090 627 HG SER 80 HG SER 80 -3.361 -7.083 -6.842 628 H SER 81 H SER 81 -4.439 -6.597 -2.320 629 HA SER 81 HA SER 81 -6.134 -8.605 -1.218 630 HB2 SER 81 1HB SER 81 -4.329 -8.427 0.130 631 HB3 SER 81 2HB SER 81 -4.062 -6.732 -0.354 632 HG SER 81 HG SER 81 -5.864 -7.752 1.571 633 H TRP 82 H TRP 82 -7.539 -8.008 0.397 634 HA TRP 82 HA TRP 82 -9.423 -5.750 -0.387 635 HB2 TRP 82 2HB TRP 82 -10.133 -8.352 0.686 636 HB3 TRP 82 1HB TRP 82 -10.130 -7.209 1.981 637 HD1 TRP 82 1HD TRP 82 -10.956 -5.971 -1.315 638 HE1 TRP 82 1HE TRP 82 -13.407 -5.496 -1.430 639 HE3 TRP 82 3HE TRP 82 -12.293 -8.201 2.950 640 HZ2 TRP 82 2HZ TRP 82 -15.626 -5.943 0.074 641 HZ3 TRP 82 3HZ TRP 82 -14.609 -8.181 3.555 642 HH2 TRP 82 2HH TRP 82 -16.322 -7.040 2.029 643 H ARG 83 H ARG 83 -7.787 -6.937 2.199 644 HA ARG 83 HA ARG 83 -8.386 -4.727 3.784 645 HB2 ARG 83 1HB ARG 83 -7.768 -6.156 5.098 646 HB3 ARG 83 2HB ARG 83 -6.561 -6.984 4.091 647 HG2 ARG 83 1HG ARG 83 -4.950 -5.333 4.717 648 HG3 ARG 83 2HG ARG 83 -6.177 -4.388 5.541 649 HD2 ARG 83 1HD ARG 83 -6.353 -6.101 7.269 650 HD3 ARG 83 2HD ARG 83 -5.347 -7.208 6.328 651 HE ARG 83 HE ARG 83 -3.840 -4.980 6.651 652 HH11 ARG 83 1HH1 ARG 83 -5.346 -7.223 8.932 653 HH12 ARG 83 2HH1 ARG 83 -4.139 -7.089 10.127 654 HH21 ARG 83 1HH2 ARG 83 -2.124 -4.802 8.240 655 HH22 ARG 83 2HH2 ARG 83 -2.218 -5.639 9.713 656 H TYR 84 H TYR 84 -6.311 -4.946 1.378 657 HA TYR 84 HA TYR 84 -4.879 -2.523 1.618 658 HB2 TYR 84 2HB TYR 84 -4.395 -4.188 -0.141 659 HB3 TYR 84 1HB TYR 84 -6.007 -4.030 -0.689 660 HD1 TYR 84 1HD TYR 84 -2.748 -1.906 -0.640 661 HD2 TYR 84 2HD TYR 84 -6.724 -2.610 -2.082 662 HE1 TYR 84 1HE TYR 84 -2.431 -0.276 -2.248 663 HE2 TYR 84 2HE TYR 84 -6.337 -0.871 -3.839 664 HH TYR 84 HH TYR 84 -3.215 0.340 -4.456 665 H LEU 85 H LEU 85 -7.784 -3.174 -0.238 666 HA LEU 85 HA LEU 85 -8.334 -0.419 -0.346 667 HB2 LEU 85 1HB LEU 85 -10.375 -0.878 -1.438 668 HB3 LEU 85 2HB LEU 85 -8.768 -1.119 -2.276 669 HG LEU 85 HG LEU 85 -10.670 -2.624 -3.044 670 HD11 LEU 85 1HD1 LEU 85 -8.809 -3.960 -1.247 671 HD12 LEU 85 2HD1 LEU 85 -8.460 -3.547 -2.933 672 HD13 LEU 85 3HD1 LEU 85 -9.717 -4.770 -2.527 673 HD21 LEU 85 1HD2 LEU 85 -10.753 -3.446 -0.199 674 HD22 LEU 85 2HD2 LEU 85 -11.801 -4.066 -1.490 675 HD23 LEU 85 3HD2 LEU 85 -11.939 -2.381 -0.934 676 H TYR 86 H TYR 86 -8.770 -1.622 2.065 677 HA TYR 86 HA TYR 86 -11.406 -1.578 2.777 678 HB2 TYR 86 2HB TYR 86 -8.921 -1.427 3.697 679 HB3 TYR 86 1HB TYR 86 -9.942 -0.784 4.944 680 HD1 TYR 86 1HD TYR 86 -10.326 -3.473 2.464 681 HD2 TYR 86 2HD TYR 86 -9.950 -2.719 6.628 682 HE1 TYR 86 1HE TYR 86 -10.863 -5.570 2.805 683 HE2 TYR 86 2HE TYR 86 -10.491 -5.037 7.091 684 HH TYR 86 HH TYR 86 -10.552 -7.426 4.666 685 H GLY 87 H GLY 87 -9.169 0.626 1.876 686 HA2 GLY 87 1HA GLY 87 -10.688 2.806 1.498 687 HA3 GLY 87 2HA GLY 87 -9.801 3.222 2.965 688 H VAL 88 H VAL 88 -9.797 2.149 -0.360 689 HA VAL 88 HA VAL 88 -7.484 3.788 -0.687 690 HB VAL 88 HB VAL 88 -7.859 1.184 -2.112 691 HG11 VAL 88 1HG1 VAL 88 -5.591 1.685 -3.021 692 HG12 VAL 88 2HG1 VAL 88 -5.554 3.201 -2.138 693 HG13 VAL 88 3HG1 VAL 88 -6.732 2.963 -3.434 694 HG21 VAL 88 1HG2 VAL 88 -5.757 1.937 -0.149 695 HG22 VAL 88 2HG2 VAL 88 -6.149 0.284 -0.793 696 HG23 VAL 88 3HG2 VAL 88 -7.272 1.164 0.253 697 H LYS 89 H LYS 89 -8.352 5.194 -2.331 698 HA LYS 89 HA LYS 89 -8.836 4.295 -4.874 699 HB2 LYS 89 1HB LYS 89 -11.315 5.350 -3.464 700 HB3 LYS 89 2HB LYS 89 -11.105 5.742 -5.177 701 HG2 LYS 89 1HG LYS 89 -11.237 3.000 -3.943 702 HG3 LYS 89 2HG LYS 89 -12.572 3.831 -4.733 703 HD2 LYS 89 1HD LYS 89 -11.558 3.677 -6.848 704 HD3 LYS 89 2HD LYS 89 -9.979 3.290 -6.171 705 HE2 LYS 89 1HE LYS 89 -11.174 1.347 -7.192 706 HE3 LYS 89 2HE LYS 89 -10.711 1.116 -5.509 707 HZ1 LYS 89 1HZ LYS 89 -12.985 0.360 -6.018 708 HZ2 LYS 89 2HZ LYS 89 -13.443 1.976 -6.329 709 HZ3 LYS 89 3HZ LYS 89 -12.878 1.508 -4.804 710 HA PRO 90 HA PRO 90 -7.409 8.630 -4.627 711 HB2 PRO 90 2HB PRO 90 -8.480 10.432 -2.915 712 HB3 PRO 90 1HB PRO 90 -9.089 10.173 -4.534 713 HG2 PRO 90 2HG PRO 90 -10.561 9.622 -2.186 714 HG3 PRO 90 1HG PRO 90 -10.996 9.255 -3.858 715 HD2 PRO 90 2HD PRO 90 -9.808 7.440 -1.832 716 HD3 PRO 90 1HD PRO 90 -10.867 7.124 -3.224 717 H GLY 91 H GLY 91 -7.473 10.101 -1.707 718 HA2 GLY 91 1HA GLY 91 -5.265 8.875 -1.439 719 HA3 GLY 91 2HA GLY 91 -5.289 10.407 -0.627 720 H ALA 92 H ALA 92 -7.011 7.937 -0.792 721 HA ALA 92 HA ALA 92 -7.759 6.995 1.811 722 HB1 ALA 92 1HB ALA 92 -7.636 5.738 -0.812 723 HB2 ALA 92 2HB ALA 92 -9.035 6.550 -0.116 724 HB3 ALA 92 3HB ALA 92 -8.487 4.959 0.515 725 H THR 93 H THR 93 -5.407 6.142 -0.313 726 HA THR 93 HA THR 93 -3.867 4.161 0.608 727 HB THR 93 HB THR 93 -2.941 5.368 -1.158 728 HG1 THR 93 1HG THR 93 -0.975 6.275 -0.417 729 HG21 THR 93 1HG2 THR 93 -4.231 7.188 -1.066 730 HG22 THR 93 2HG2 THR 93 -2.537 7.804 -1.026 731 HG23 THR 93 3HG2 THR 93 -3.521 7.814 0.397 732 H ARG 94 H ARG 94 -4.141 7.373 1.912 733 HA ARG 94 HA ARG 94 -3.340 8.505 3.610 734 HB2 ARG 94 1HB ARG 94 -3.656 5.824 4.778 735 HB3 ARG 94 2HB ARG 94 -2.657 7.103 5.534 736 HG2 ARG 94 1HG ARG 94 -4.835 7.226 6.578 737 HG3 ARG 94 2HG ARG 94 -4.784 8.538 5.411 738 HD2 ARG 94 1HD ARG 94 -6.145 7.101 3.811 739 HD3 ARG 94 2HD ARG 94 -6.073 5.853 5.033 740 HE ARG 94 HE ARG 94 -7.091 8.047 6.319 741 HH11 ARG 94 1HH1 ARG 94 -8.018 5.883 3.713 742 HH12 ARG 94 2HH1 ARG 94 -9.702 6.142 3.876 743 HH21 ARG 94 1HH2 ARG 94 -9.225 8.371 6.653 744 HH22 ARG 94 2HH2 ARG 94 -10.463 7.690 5.665 745 H VAL 95 H VAL 95 -1.281 6.726 1.770 746 HA VAL 95 HA VAL 95 0.879 7.855 3.138 747 HB VAL 95 HB VAL 95 2.042 6.047 3.780 748 HG11 VAL 95 1HG1 VAL 95 0.699 4.204 4.492 749 HG12 VAL 95 2HG1 VAL 95 -0.562 4.790 3.294 750 HG13 VAL 95 3HG1 VAL 95 -0.067 5.798 4.676 751 HG21 VAL 95 1HG2 VAL 95 2.394 4.182 2.577 752 HG22 VAL 95 2HG2 VAL 95 2.264 5.614 1.487 753 HG23 VAL 95 3HG2 VAL 95 0.926 4.438 1.569 754 H ASP 96 H ASP 96 2.405 8.138 2.164 755 HA ASP 96 HA ASP 96 3.391 7.425 -0.584 756 HB2 ASP 96 1HB ASP 96 4.322 9.723 -0.668 757 HB3 ASP 96 2HB ASP 96 2.575 9.837 -0.473 758 H LEU 97 H LEU 97 3.758 5.944 1.551 759 HA LEU 97 HA LEU 97 4.786 5.086 2.931 760 HB2 LEU 97 1HB LEU 97 7.360 5.670 1.622 761 HB3 LEU 97 2HB LEU 97 6.671 4.454 2.535 762 HG LEU 97 HG LEU 97 4.939 4.892 0.483 763 HD11 LEU 97 1HD1 LEU 97 7.816 4.244 -0.161 764 HD12 LEU 97 2HD1 LEU 97 7.058 5.797 -0.615 765 HD13 LEU 97 3HD1 LEU 97 6.511 4.277 -1.340 766 HD21 LEU 97 1HD2 LEU 97 5.273 3.095 1.863 767 HD22 LEU 97 2HD2 LEU 97 7.000 3.305 1.224 768 HD23 LEU 97 3HD2 LEU 97 5.651 2.757 0.092 769 H ASP 98 H ASP 98 5.314 8.466 3.108 770 HA ASP 98 HA ASP 98 6.492 8.305 5.668 771 HB2 ASP 98 1HB ASP 98 5.518 10.436 3.783 772 HB3 ASP 98 2HB ASP 98 5.644 10.879 5.442 773 H GLY 99 H GLY 99 3.541 8.850 3.973 774 HA2 GLY 99 1HA GLY 99 1.786 7.464 5.006 775 HA3 GLY 99 2HA GLY 99 2.187 8.141 6.438 776 H ASN 100 H ASN 100 2.040 10.010 3.444 777 HA ASN 100 HA ASN 100 -0.198 11.802 4.149 778 HB2 ASN 100 1HB ASN 100 2.131 11.412 2.423 779 HB3 ASN 100 2HB ASN 100 1.063 12.543 1.826 780 HD21 ASN 100 1HD2 ASN 100 3.774 13.825 3.553 781 HD22 ASN 100 2HD2 ASN 100 3.587 12.621 2.342 782 HA PRO 101 HA PRO 101 -2.683 9.071 1.862 783 HB2 PRO 101 2HB PRO 101 -4.139 11.461 0.884 784 HB3 PRO 101 1HB PRO 101 -4.552 10.169 1.966 785 HG2 PRO 101 2HG PRO 101 -4.061 12.593 3.009 786 HG3 PRO 101 1HG PRO 101 -3.311 11.162 3.814 787 HD2 PRO 101 2HD PRO 101 -2.376 12.557 1.534 788 HD3 PRO 101 1HD PRO 101 -1.451 12.882 2.880 789 H CYS 102 H CYS 102 -0.659 9.004 0.486 790 HA CYS 102 HA CYS 102 0.681 9.452 -1.226 791 HB2 CYS 102 2HB CYS 102 -0.258 7.952 -2.492 792 HB3 CYS 102 1HB CYS 102 -1.869 8.420 -2.627 793 HG CYS 102 HG CYS 102 0.032 10.539 -4.245 794 H GLY 103 H GLY 103 -0.950 11.386 0.016 795 HA2 GLY 103 1HA GLY 103 -0.814 13.686 0.529 796 HA3 GLY 103 2HA GLY 103 0.344 13.804 -0.766 797 H GLU 104 H GLU 104 -2.271 12.329 -1.361 798 HA GLU 104 HA GLU 104 -3.251 14.135 -3.360 799 HB2 GLU 104 1HB GLU 104 -3.301 12.088 -4.380 800 HB3 GLU 104 2HB GLU 104 -2.988 11.415 -2.779 801 HG2 GLU 104 1HG GLU 104 -5.024 11.008 -2.259 802 HG3 GLU 104 2HG GLU 104 -5.747 11.958 -3.619 803 H LEU 105 H LEU 105 -4.536 12.544 -0.334 804 HA LEU 105 HA LEU 105 -6.755 14.445 -0.503 805 HB2 LEU 105 1HB LEU 105 -7.183 11.903 -1.392 806 HB3 LEU 105 2HB LEU 105 -7.134 11.649 0.223 807 HG LEU 105 HG LEU 105 -8.958 13.854 -0.516 808 HD11 LEU 105 1HD1 LEU 105 -9.086 11.114 -1.331 809 HD12 LEU 105 2HD1 LEU 105 -9.942 12.509 -2.052 810 HD13 LEU 105 3HD1 LEU 105 -10.551 11.686 -0.523 811 HD21 LEU 105 1HD2 LEU 105 -9.849 11.802 1.216 812 HD22 LEU 105 2HD2 LEU 105 -9.434 13.547 1.431 813 HD23 LEU 105 3HD2 LEU 105 -8.173 12.364 1.499 814 H ASP 106 H ASP 106 -7.844 14.579 1.355 815 HA ASP 106 HA ASP 106 -6.631 14.859 3.968 816 HB2 ASP 106 1HB ASP 106 -8.379 16.463 3.188 817 HB3 ASP 106 2HB ASP 106 -9.183 15.185 2.382 818 H GLU 107 H GLU 107 -8.884 13.683 5.163 819 HA GLU 107 HA GLU 107 -9.058 10.934 4.111 820 HB2 GLU 107 1HB GLU 107 -8.302 9.932 5.986 821 HB3 GLU 107 2HB GLU 107 -7.691 11.599 6.213 822 HG2 GLU 107 1HG GLU 107 -9.242 12.201 7.665 823 HG3 GLU 107 2HG GLU 107 -10.379 11.063 7.084 824 H GLN 108 H GLN 108 -10.773 13.496 4.742 825 HA GLN 108 HA GLN 108 -13.251 12.043 5.322 826 HB2 GLN 108 1HB GLN 108 -12.419 14.206 6.565 827 HB3 GLN 108 2HB GLN 108 -12.849 14.911 4.999 828 HG2 GLN 108 1HG GLN 108 -15.059 14.251 5.154 829 HG3 GLN 108 2HG GLN 108 -14.635 13.129 6.461 830 HE21 GLN 108 1HE2 GLN 108 -14.158 16.277 8.552 831 HE22 GLN 108 2HE2 GLN 108 -13.044 15.133 7.890 832 H HIS 109 H HIS 109 -11.227 12.531 2.973 833 HA HIS 109 HA HIS 109 -13.617 12.158 1.415 834 HB2 HIS 109 1HB HIS 109 -11.066 13.099 0.778 835 HB3 HIS 109 2HB HIS 109 -12.335 13.167 -0.511 836 HD1 HIS 109 HD1 HIS 109 -14.378 14.655 1.716 837 HD2 HIS 109 HD2 HIS 109 -10.572 15.949 0.650 838 HE1 HIS 109 HE1 HIS 109 -14.296 17.071 2.330 839 HE2 HIS 109 HE2 HIS 109 -11.856 17.554 2.189 840 H VAL 110 H VAL 110 -10.827 11.007 2.366 841 HA VAL 110 HA VAL 110 -11.342 9.104 0.522 842 HB VAL 110 HB VAL 110 -9.388 7.747 1.538 843 HG11 VAL 110 1HG1 VAL 110 -9.718 8.888 -0.516 844 HG12 VAL 110 2HG1 VAL 110 -8.064 9.350 0.037 845 HG13 VAL 110 3HG1 VAL 110 -9.473 10.396 0.325 846 HG21 VAL 110 1HG2 VAL 110 -7.767 9.273 2.526 847 HG22 VAL 110 2HG2 VAL 110 -9.253 9.159 3.510 848 HG23 VAL 110 3HG2 VAL 110 -9.010 10.527 2.361 849 H GLU 111 H GLU 111 -12.362 9.968 2.765 850 HA GLU 111 HA GLU 111 -13.256 8.166 4.736 851 HB2 GLU 111 1HB GLU 111 -13.358 10.407 4.854 852 HB3 GLU 111 2HB GLU 111 -14.230 10.901 3.750 853 HG2 GLU 111 1HG GLU 111 -15.296 8.760 5.320 854 HG3 GLU 111 2HG GLU 111 -15.448 10.408 6.036 855 H HIS 112 H HIS 112 -14.316 9.088 1.595 856 HA HIS 112 HA HIS 112 -16.402 7.160 1.554 857 HB2 HIS 112 1HB HIS 112 -15.007 8.722 -0.368 858 HB3 HIS 112 2HB HIS 112 -16.501 7.864 -0.879 859 HD1 HIS 112 HD1 HIS 112 -18.790 8.809 0.272 860 HD2 HIS 112 HD2 HIS 112 -15.392 11.042 1.014 861 HE1 HIS 112 HE1 HIS 112 -19.615 10.894 1.388 862 HE2 HIS 112 HE2 HIS 112 -17.464 11.627 2.387 863 H ALA 113 H ALA 113 -13.206 7.128 0.984 864 HA ALA 113 HA ALA 113 -13.296 4.887 -0.583 865 HB1 ALA 113 1HB ALA 113 -11.060 5.555 0.960 866 HB2 ALA 113 2HB ALA 113 -11.773 6.873 -0.034 867 HB3 ALA 113 3HB ALA 113 -11.137 5.357 -0.839 868 H ARG 114 H ARG 114 -13.010 5.836 2.596 869 HA ARG 114 HA ARG 114 -11.969 3.618 3.717 870 HB2 ARG 114 1HB ARG 114 -12.203 6.062 4.612 871 HB3 ARG 114 2HB ARG 114 -13.778 5.559 5.125 872 HG2 ARG 114 1HG ARG 114 -12.775 3.865 6.603 873 HG3 ARG 114 2HG ARG 114 -11.172 4.457 6.139 874 HD2 ARG 114 1HD ARG 114 -12.233 6.795 6.774 875 HD3 ARG 114 2HD ARG 114 -13.290 5.796 7.762 876 HE ARG 114 HE ARG 114 -10.935 4.897 8.519 877 HH11 ARG 114 1HH1 ARG 114 -12.209 8.245 8.296 878 HH12 ARG 114 2HH1 ARG 114 -10.897 8.903 9.186 879 HH21 ARG 114 1HH2 ARG 114 -9.155 5.986 9.867 880 HH22 ARG 114 2HH2 ARG 114 -9.260 7.688 10.011 881 H LYS 115 H LYS 115 -15.067 4.482 2.353 882 HA LYS 115 HA LYS 115 -16.597 2.748 3.940 883 HB2 LYS 115 1HB LYS 115 -18.080 4.517 4.012 884 HB3 LYS 115 2HB LYS 115 -16.730 5.476 3.458 885 HG2 LYS 115 1HG LYS 115 -18.046 6.113 1.795 886 HG3 LYS 115 2HG LYS 115 -17.665 4.528 1.102 887 HD2 LYS 115 1HD LYS 115 -20.095 5.232 2.816 888 HD3 LYS 115 2HD LYS 115 -20.117 4.856 1.086 889 HE2 LYS 115 1HE LYS 115 -19.383 2.752 1.421 890 HE3 LYS 115 2HE LYS 115 -18.955 3.008 3.087 891 HZ1 LYS 115 1HZ LYS 115 -21.665 3.190 3.261 892 HZ2 LYS 115 2HZ LYS 115 -20.963 1.661 2.914 893 HZ3 LYS 115 3HZ LYS 115 -21.534 2.540 1.676 894 H GLN 116 H GLN 116 -15.154 3.533 0.735 895 HA GLN 116 HA GLN 116 -17.035 2.147 -0.321 896 HB2 GLN 116 1HB GLN 116 -15.630 1.855 -2.444 897 HB3 GLN 116 2HB GLN 116 -15.900 3.483 -1.833 898 HG2 GLN 116 1HG GLN 116 -13.714 3.595 -2.199 899 HG3 GLN 116 2HG GLN 116 -13.832 2.983 -0.515 900 HE21 GLN 116 1HE2 GLN 116 -12.392 -0.158 -1.323 901 HE22 GLN 116 2HE2 GLN 116 -13.342 0.698 -0.206 902 H LEU 117 H LEU 117 -14.673 0.780 1.526 903 HA LEU 117 HA LEU 117 -15.111 -1.891 0.625 904 HB2 LEU 117 1HB LEU 117 -13.165 -1.738 1.339 905 HB3 LEU 117 2HB LEU 117 -13.017 -0.859 2.687 906 HG LEU 117 HG LEU 117 -14.918 -2.914 2.882 907 HD11 LEU 117 1HD1 LEU 117 -12.174 -3.222 2.146 908 HD12 LEU 117 2HD1 LEU 117 -13.594 -3.713 1.156 909 HD13 LEU 117 3HD1 LEU 117 -13.071 -4.733 2.526 910 HD21 LEU 117 1HD2 LEU 117 -12.392 -2.296 4.422 911 HD22 LEU 117 2HD2 LEU 117 -13.510 -3.585 4.846 912 HD23 LEU 117 3HD2 LEU 117 -14.051 -1.907 4.876 913 H GLU 118 H GLU 118 -16.796 0.358 2.594 914 HA GLU 118 HA GLU 118 -18.135 -1.794 3.693 915 HB2 GLU 118 1HB GLU 118 -17.585 0.098 5.222 916 HB3 GLU 118 2HB GLU 118 -18.524 1.182 4.208 917 HG2 GLU 118 1HG GLU 118 -19.730 0.546 6.267 918 HG3 GLU 118 2HG GLU 118 -20.579 0.027 4.811 919 H GLU 119 H GLU 119 -17.893 -0.673 1.017 920 HA GLU 119 HA GLU 119 -20.632 -0.647 0.217 921 HB2 GLU 119 1HB GLU 119 -18.088 -0.204 -1.265 922 HB3 GLU 119 2HB GLU 119 -19.659 -0.196 -2.119 923 HG2 GLU 119 1HG GLU 119 -18.863 1.327 0.161 924 HG3 GLU 119 2HG GLU 119 -18.640 2.028 -1.473 925 H ALA 120 H ALA 120 -17.482 -2.009 -0.126 926 HA ALA 120 HA ALA 120 -18.061 -4.302 -1.640 927 HB1 ALA 120 1HB ALA 120 -15.897 -3.038 -1.326 928 HB2 ALA 120 2HB ALA 120 -15.900 -4.788 -1.440 929 HB3 ALA 120 3HB ALA 120 -15.741 -3.999 0.160 930 H LYS 121 H LYS 121 -17.420 -4.004 1.623 931 HA LYS 121 HA LYS 121 -18.047 -6.504 2.559 932 HB2 LYS 121 1HB LYS 121 -17.725 -3.834 3.332 933 HB3 LYS 121 2HB LYS 121 -18.756 -4.778 4.497 934 HG2 LYS 121 1HG LYS 121 -16.992 -6.213 4.429 935 HG3 LYS 121 2HG LYS 121 -16.150 -5.206 3.293 936 HD2 LYS 121 1HD LYS 121 -15.460 -4.792 5.838 937 HD3 LYS 121 2HD LYS 121 -15.711 -3.694 4.446 938 HE2 LYS 121 1HE LYS 121 -16.636 -2.668 6.500 939 HE3 LYS 121 2HE LYS 121 -17.698 -2.999 5.123 940 HZ1 LYS 121 1HZ LYS 121 -18.715 -3.311 7.185 941 HZ2 LYS 121 2HZ LYS 121 -17.730 -4.615 7.640 942 HZ3 LYS 121 3HZ LYS 121 -18.798 -4.704 6.283 943 H ALA 122 H ALA 122 -19.906 -3.850 2.585 944 HA ALA 122 HA ALA 122 -22.238 -4.766 3.249 945 HB1 ALA 122 1HB ALA 122 -21.455 -2.623 3.001 946 HB2 ALA 122 2HB ALA 122 -23.123 -2.860 2.343 947 HB3 ALA 122 3HB ALA 122 -21.685 -2.761 1.248 948 H ARG 123 H ARG 123 -20.588 -5.358 0.180 949 HA ARG 123 HA ARG 123 -22.971 -5.767 -1.135 950 HB2 ARG 123 1HB ARG 123 -21.700 -5.344 -3.005 951 HB3 ARG 123 2HB ARG 123 -20.420 -5.109 -1.774 952 HG2 ARG 123 1HG ARG 123 -19.954 -7.461 -1.877 953 HG3 ARG 123 2HG ARG 123 -20.963 -7.626 -3.330 954 HD2 ARG 123 1HD ARG 123 -19.453 -5.906 -4.389 955 HD3 ARG 123 2HD ARG 123 -18.583 -5.999 -2.825 956 HE ARG 123 HE ARG 123 -18.589 -8.532 -3.523 957 HH11 ARG 123 1HH1 ARG 123 -17.648 -5.744 -5.478 958 HH12 ARG 123 2HH1 ARG 123 -16.464 -6.551 -6.394 959 HH21 ARG 123 1HH2 ARG 123 -16.934 -9.706 -4.763 960 HH22 ARG 123 2HH2 ARG 123 -16.043 -8.907 -5.959 961 H VAL 124 H VAL 124 -20.703 -7.154 0.572 962 HA VAL 124 HA VAL 124 -20.650 -9.726 -0.687 963 HB VAL 124 HB VAL 124 -19.174 -8.641 1.604 964 HG11 VAL 124 1HG1 VAL 124 -18.912 -11.203 0.142 965 HG12 VAL 124 2HG1 VAL 124 -19.363 -10.937 1.855 966 HG13 VAL 124 3HG1 VAL 124 -17.676 -10.627 1.307 967 HG21 VAL 124 1HG2 VAL 124 -17.234 -8.713 0.110 968 HG22 VAL 124 2HG2 VAL 124 -18.566 -7.611 -0.252 969 HG23 VAL 124 3HG2 VAL 124 -18.374 -9.096 -1.221 970 H GLN 125 H GLN 125 -20.838 -8.419 2.149 971 HA GLN 125 HA GLN 125 -21.516 -8.860 4.176 972 HB2 GLN 125 1HB GLN 125 -22.253 -7.837 2.453 973 HB3 GLN 125 2HB GLN 125 -22.595 -7.157 3.517 974 HG2 GLN 125 1HG GLN 125 -24.283 -7.158 1.699 975 HG3 GLN 125 2HG GLN 125 -23.787 -8.848 1.431 976 HE21 GLN 125 1HE2 GLN 125 -27.188 -9.414 2.164 977 HE22 GLN 125 2HE2 GLN 125 -26.030 -9.162 0.892 978 H ALA 126 H ALA 126 -23.684 -10.728 2.119 979 HA ALA 126 HA ALA 126 -24.873 -11.963 4.169 980 HB1 ALA 126 1HB ALA 126 -25.223 -12.705 1.349 981 HB2 ALA 126 2HB ALA 126 -25.550 -11.110 2.006 982 HB3 ALA 126 3HB ALA 126 -26.376 -12.532 2.737 983 H GLN 127 H GLN 127 -23.443 -13.537 1.103 984 HA GLN 127 HA GLN 127 -22.797 -15.723 2.527 985 HB2 GLN 127 1HB GLN 127 -23.855 -14.782 0.144 986 HB3 GLN 127 2HB GLN 127 -22.431 -15.686 -0.205 987 HG2 GLN 127 1HG GLN 127 -24.757 -16.395 1.474 988 HG3 GLN 127 2HG GLN 127 -24.597 -17.002 -0.180 989 HE21 GLN 127 1HE2 GLN 127 -23.341 -19.952 1.277 990 HE22 GLN 127 2HE2 GLN 127 -24.612 -19.192 0.379 991 H ARG 128 H ARG 128 -20.741 -15.830 3.165 992 HA ARG 128 HA ARG 128 -18.862 -14.340 2.091 993 HB2 ARG 128 1HB ARG 128 -18.724 -16.568 4.018 994 HB3 ARG 128 2HB ARG 128 -17.354 -15.873 3.113 995 HG2 ARG 128 1HG ARG 128 -19.202 -14.107 4.560 996 HG3 ARG 128 2HG ARG 128 -17.843 -14.831 5.494 997 HD2 ARG 128 1HD ARG 128 -17.930 -13.140 3.088 998 HD3 ARG 128 2HD ARG 128 -17.320 -12.594 4.655 999 HE ARG 128 HE ARG 128 -15.462 -14.239 4.264 1000 HH11 ARG 128 1HH1 ARG 128 -17.189 -12.869 1.417 1001 HH12 ARG 128 2HH1 ARG 128 -15.893 -13.159 0.362 1002 HH21 ARG 128 1HH2 ARG 128 -13.627 -14.534 2.663 1003 HH22 ARG 128 2HH2 ARG 128 -13.923 -14.082 1.053 1004 H ALA 129 H ALA 129 -20.122 -17.115 1.248 1005 HA ALA 129 HA ALA 129 -18.450 -18.735 0.015 1006 HB1 ALA 129 1HB ALA 129 -20.663 -19.130 0.119 1007 HB2 ALA 129 2HB ALA 129 -20.071 -19.342 -1.530 1008 HB3 ALA 129 3HB ALA 129 -21.071 -17.907 -1.113 1009 H GLU 130 H GLU 130 -17.021 -18.660 -1.643 1010 HA GLU 130 HA GLU 130 -17.234 -17.217 -3.874 1011 HB2 GLU 130 1HB GLU 130 -15.092 -15.721 -3.495 1012 HB3 GLU 130 2HB GLU 130 -16.628 -15.145 -2.866 1013 HG2 GLU 130 1HG GLU 130 -16.035 -15.992 -0.654 1014 HG3 GLU 130 2HG GLU 130 -14.488 -16.552 -1.249 1015 H GLN 131 H GLN 131 -13.998 -17.530 -2.471 1016 HA GLN 131 HA GLN 131 -13.848 -20.013 -3.934 1017 HB2 GLN 131 1HB GLN 131 -11.818 -18.462 -3.923 1018 HB3 GLN 131 2HB GLN 131 -11.628 -18.871 -2.211 1019 HG2 GLN 131 1HG GLN 131 -11.690 -21.299 -2.927 1020 HG3 GLN 131 2HG GLN 131 -11.497 -20.720 -4.569 1021 HE21 GLN 131 1HE2 GLN 131 -8.307 -21.734 -2.921 1022 HE22 GLN 131 2HE2 GLN 131 -9.888 -22.439 -3.017 1023 H GLN 132 H GLN 132 -15.128 -21.262 -2.901 1024 HA GLN 132 HA GLN 132 -14.470 -21.881 -0.171 1025 HB2 GLN 132 1HB GLN 132 -17.096 -21.431 -1.457 1026 HB3 GLN 132 2HB GLN 132 -16.918 -22.632 -0.102 1027 HG2 GLN 132 1HG GLN 132 -16.162 -19.728 -0.115 1028 HG3 GLN 132 2HG GLN 132 -17.648 -20.398 0.589 1029 HE21 GLN 132 1HE2 GLN 132 -14.120 -20.698 2.551 1030 HE22 GLN 132 2HE2 GLN 132 -14.160 -20.158 0.908 1031 H ALA 133 H ALA 133 -13.112 -22.936 -2.209 1032 HA ALA 133 HA ALA 133 -13.592 -25.699 -1.999 1033 HB1 ALA 133 1HB ALA 133 -13.338 -25.979 -4.451 1034 HB2 ALA 133 2HB ALA 133 -13.525 -24.232 -4.655 1035 HB3 ALA 133 3HB ALA 133 -14.859 -25.201 -4.018 Start of MODEL 7 1 H1 MET 1 1H MET 1 18.893 -13.455 -4.174 2 H2 MET 1 2H MET 1 17.982 -12.087 -4.512 3 H3 MET 1 3H MET 1 17.418 -13.194 -3.352 4 HA MET 1 HA MET 1 18.386 -11.229 -2.326 5 HB2 MET 1 1HB MET 1 20.152 -13.688 -2.111 6 HB3 MET 1 2HB MET 1 20.210 -12.334 -1.000 7 HG2 MET 1 1HG MET 1 17.855 -14.162 -1.439 8 HG3 MET 1 2HG MET 1 18.977 -14.232 -0.082 9 HE1 MET 1 1HE MET 1 19.435 -11.113 0.564 10 HE2 MET 1 2HE MET 1 19.164 -12.351 1.789 11 HE3 MET 1 3HE MET 1 18.197 -10.877 1.797 12 H GLY 2 H GLY 2 19.816 -9.584 -2.529 13 HA2 GLY 2 1HA GLY 2 22.400 -9.977 -3.732 14 HA3 GLY 2 2HA GLY 2 21.285 -9.002 -4.696 15 H SER 3 H SER 3 21.671 -9.311 -1.231 16 HA SER 3 HA SER 3 21.224 -6.535 -0.923 17 HB2 SER 3 1HB SER 3 21.874 -8.623 1.145 18 HB3 SER 3 2HB SER 3 21.150 -7.034 1.431 19 HG SER 3 HG SER 3 19.704 -8.105 -0.415 20 H SER 4 H SER 4 22.971 -5.613 -1.928 21 HA SER 4 HA SER 4 25.651 -5.903 -1.138 22 HB2 SER 4 1HB SER 4 25.791 -3.589 -2.244 23 HB3 SER 4 2HB SER 4 25.177 -4.906 -3.248 24 HG SER 4 HG SER 4 23.447 -3.786 -3.483 25 H HIS 5 H HIS 5 22.998 -3.952 -0.124 26 HA HIS 5 HA HIS 5 24.533 -2.469 1.869 27 HB2 HIS 5 1HB HIS 5 21.579 -2.355 1.151 28 HB3 HIS 5 2HB HIS 5 22.400 -1.255 2.248 29 HD1 HIS 5 HD1 HIS 5 21.545 -1.709 -1.332 30 HD2 HIS 5 HD2 HIS 5 24.342 0.456 0.888 31 HE1 HIS 5 HE1 HIS 5 22.409 0.031 -2.865 32 HE2 HIS 5 HE2 HIS 5 24.188 1.250 -1.569 33 H HIS 6 H HIS 6 24.638 -5.058 2.349 34 HA HIS 6 HA HIS 6 22.517 -6.058 3.958 35 HB2 HIS 6 1HB HIS 6 23.950 -8.049 4.474 36 HB3 HIS 6 2HB HIS 6 23.731 -7.738 2.763 37 HD1 HIS 6 HD1 HIS 6 26.300 -8.207 5.347 38 HD2 HIS 6 HD2 HIS 6 26.135 -6.726 1.468 39 HE1 HIS 6 HE1 HIS 6 28.683 -8.179 4.534 40 HE2 HIS 6 HE2 HIS 6 28.525 -7.433 2.127 41 H HIS 7 H HIS 7 22.404 -4.290 5.226 42 HA HIS 7 HA HIS 7 23.135 -4.877 7.965 43 HB2 HIS 7 1HB HIS 7 23.775 -2.187 6.643 44 HB3 HIS 7 2HB HIS 7 23.601 -2.376 8.375 45 HD1 HIS 7 HD1 HIS 7 25.554 -3.701 9.600 46 HD2 HIS 7 HD2 HIS 7 26.243 -2.827 5.591 47 HE1 HIS 7 HE1 HIS 7 28.021 -3.992 9.265 48 HE2 HIS 7 HE2 HIS 7 28.426 -3.143 6.937 49 H HIS 8 H HIS 8 20.882 -5.271 6.467 50 HA HIS 8 HA HIS 8 19.333 -2.873 6.350 51 HB2 HIS 8 1HB HIS 8 19.203 -4.518 4.507 52 HB3 HIS 8 2HB HIS 8 18.393 -5.635 5.604 53 HD1 HIS 8 HD1 HIS 8 15.815 -5.179 6.082 54 HD2 HIS 8 HD2 HIS 8 17.698 -2.256 3.790 55 HE1 HIS 8 HE1 HIS 8 13.995 -3.712 5.241 56 HE2 HIS 8 HE2 HIS 8 15.196 -2.095 3.626 57 H HIS 9 H HIS 9 19.210 -2.453 8.600 58 HA HIS 9 HA HIS 9 16.533 -3.319 9.169 59 HB2 HIS 9 1HB HIS 9 18.283 -4.487 10.812 60 HB3 HIS 9 2HB HIS 9 18.260 -2.911 11.607 61 HD1 HIS 9 HD1 HIS 9 16.486 -6.075 11.565 62 HD2 HIS 9 HD2 HIS 9 15.409 -2.125 12.301 63 HE1 HIS 9 HE1 HIS 9 14.276 -6.184 12.719 64 HE2 HIS 9 HE2 HIS 9 13.498 -3.872 12.524 65 H HIS 10 H HIS 10 16.666 -1.438 7.850 66 HA HIS 10 HA HIS 10 16.882 1.124 9.323 67 HB2 HIS 10 1HB HIS 10 16.276 0.594 6.373 68 HB3 HIS 10 2HB HIS 10 16.522 2.168 7.100 69 HD1 HIS 10 HD1 HIS 10 18.150 0.571 4.689 70 HD2 HIS 10 HD2 HIS 10 19.429 1.527 8.557 71 HE1 HIS 10 HE1 HIS 10 20.641 0.620 4.590 72 HE2 HIS 10 HE2 HIS 10 21.362 1.467 6.855 73 H SER 11 H SER 11 15.016 -0.752 10.070 74 HA SER 11 HA SER 11 12.446 0.125 9.009 75 HB2 SER 11 1HB SER 11 11.853 -2.219 9.084 76 HB3 SER 11 2HB SER 11 13.107 -1.914 7.883 77 HG SER 11 HG SER 11 13.155 -3.367 10.187 78 H GLN 12 H GLN 12 10.770 -0.806 10.352 79 HA GLN 12 HA GLN 12 11.374 -0.364 13.172 80 HB2 GLN 12 1HB GLN 12 9.232 1.127 11.675 81 HB3 GLN 12 2HB GLN 12 9.885 1.387 13.294 82 HG2 GLN 12 1HG GLN 12 11.935 2.251 12.389 83 HG3 GLN 12 2HG GLN 12 11.446 1.816 10.746 84 HE21 GLN 12 1HE2 GLN 12 9.155 4.772 12.361 85 HE22 GLN 12 2HE2 GLN 12 9.302 3.220 13.124 86 H ASP 13 H ASP 13 10.789 -2.672 11.779 87 HA ASP 13 HA ASP 13 8.298 -3.156 11.190 88 HB2 ASP 13 1HB ASP 13 9.334 -5.481 11.454 89 HB3 ASP 13 2HB ASP 13 9.719 -4.421 10.100 90 HA PRO 14 HA PRO 14 6.817 -3.856 15.279 91 HB2 PRO 14 2HB PRO 14 4.166 -4.090 14.423 92 HB3 PRO 14 1HB PRO 14 5.040 -2.573 14.718 93 HG2 PRO 14 2HG PRO 14 4.112 -3.426 12.224 94 HG3 PRO 14 1HG PRO 14 5.307 -2.145 12.511 95 HD2 PRO 14 2HD PRO 14 5.755 -5.030 11.877 96 HD3 PRO 14 1HD PRO 14 6.599 -3.628 11.204 97 H MET 15 H MET 15 4.408 -5.910 13.501 98 HA MET 15 HA MET 15 4.491 -7.589 15.630 99 HB2 MET 15 1HB MET 15 2.877 -7.656 13.100 100 HB3 MET 15 2HB MET 15 2.763 -8.971 14.306 101 HG2 MET 15 1HG MET 15 2.299 -6.086 14.445 102 HG3 MET 15 2HG MET 15 1.115 -7.364 14.223 103 HE1 MET 15 1HE MET 15 0.901 -5.090 16.533 104 HE2 MET 15 2HE MET 15 0.380 -6.044 17.923 105 HE3 MET 15 3HE MET 15 -0.317 -6.351 16.332 106 H GLU 16 H GLU 16 5.784 -7.869 12.341 107 HA GLU 16 HA GLU 16 7.317 -10.125 13.111 108 HB2 GLU 16 1HB GLU 16 6.359 -11.747 11.590 109 HB3 GLU 16 2HB GLU 16 5.093 -11.158 12.645 110 HG2 GLU 16 1HG GLU 16 4.025 -11.265 10.588 111 HG3 GLU 16 2HG GLU 16 4.532 -9.574 10.635 112 H ASN 17 H ASN 17 8.268 -11.019 10.796 113 HA ASN 17 HA ASN 17 8.693 -9.047 8.829 114 HB2 ASN 17 1HB ASN 17 10.223 -8.346 10.887 115 HB3 ASN 17 2HB ASN 17 10.954 -9.818 10.409 116 HD21 ASN 17 1HD2 ASN 17 12.454 -6.690 8.707 117 HD22 ASN 17 2HD2 ASN 17 11.794 -6.868 10.302 118 H GLN 18 H GLN 18 8.041 -10.863 7.740 119 HA GLN 18 HA GLN 18 8.864 -13.251 7.349 120 HB2 GLN 18 1HB GLN 18 8.089 -11.037 5.533 121 HB3 GLN 18 2HB GLN 18 8.248 -12.711 5.032 122 HG2 GLN 18 1HG GLN 18 6.622 -13.379 6.691 123 HG3 GLN 18 2HG GLN 18 6.580 -11.779 7.280 124 HE21 GLN 18 1HE2 GLN 18 4.203 -10.508 5.248 125 HE22 GLN 18 2HE2 GLN 18 5.290 -10.376 6.601 126 HA PRO 19 HA PRO 19 13.046 -13.475 5.709 127 HB2 PRO 19 2HB PRO 19 11.823 -15.357 3.749 128 HB3 PRO 19 1HB PRO 19 13.197 -15.630 4.845 129 HG2 PRO 19 2HG PRO 19 10.886 -16.758 5.349 130 HG3 PRO 19 1HG PRO 19 11.858 -16.059 6.662 131 HD2 PRO 19 2HD PRO 19 9.423 -14.955 5.348 132 HD3 PRO 19 1HD PRO 19 9.910 -14.934 7.060 133 H LYS 20 H LYS 20 14.220 -12.569 3.877 134 HA LYS 20 HA LYS 20 13.031 -10.708 2.483 135 HB2 LYS 20 1HB LYS 20 15.529 -12.172 2.004 136 HB3 LYS 20 2HB LYS 20 14.975 -10.626 1.394 137 HG2 LYS 20 1HG LYS 20 15.359 -11.303 4.191 138 HG3 LYS 20 2HG LYS 20 16.558 -10.286 3.343 139 HD2 LYS 20 1HD LYS 20 15.225 -8.459 4.145 140 HD3 LYS 20 2HD LYS 20 13.971 -9.248 3.149 141 HE2 LYS 20 1HE LYS 20 13.052 -10.404 4.745 142 HE3 LYS 20 2HE LYS 20 14.385 -10.272 5.901 143 HZ1 LYS 20 1HZ LYS 20 12.372 -8.921 6.497 144 HZ2 LYS 20 2HZ LYS 20 12.561 -7.940 5.164 145 HZ3 LYS 20 3HZ LYS 20 13.686 -7.952 6.335 146 H LEU 21 H LEU 21 13.148 -10.356 0.713 147 HA LEU 21 HA LEU 21 11.012 -10.784 -0.569 148 HB2 LEU 21 1HB LEU 21 13.592 -9.539 -1.149 149 HB3 LEU 21 2HB LEU 21 12.205 -9.286 -2.213 150 HG LEU 21 HG LEU 21 11.082 -8.331 -0.316 151 HD11 LEU 21 1HD1 LEU 21 13.501 -8.618 1.165 152 HD12 LEU 21 2HD1 LEU 21 11.857 -9.356 1.363 153 HD13 LEU 21 3HD1 LEU 21 12.082 -7.593 1.602 154 HD21 LEU 21 1HD2 LEU 21 11.964 -6.426 -0.094 155 HD22 LEU 21 2HD2 LEU 21 12.460 -6.958 -1.785 156 HD23 LEU 21 3HD2 LEU 21 13.569 -7.076 -0.338 157 H ASN 22 H ASN 22 13.619 -10.687 -2.599 158 HA ASN 22 HA ASN 22 14.214 -11.693 -4.439 159 HB2 ASN 22 1HB ASN 22 12.855 -14.265 -3.457 160 HB3 ASN 22 2HB ASN 22 14.194 -14.096 -4.556 161 HD21 ASN 22 1HD2 ASN 22 14.866 -14.120 -0.894 162 HD22 ASN 22 2HD2 ASN 22 13.276 -14.118 -1.540 163 H SER 23 H SER 23 11.497 -10.543 -3.718 164 HA SER 23 HA SER 23 10.413 -9.332 -5.408 165 HB2 SER 23 1HB SER 23 11.238 -10.331 -7.431 166 HB3 SER 23 2HB SER 23 10.369 -11.840 -7.120 167 HG SER 23 HG SER 23 9.187 -10.775 -8.570 168 H SER 24 H SER 24 8.471 -8.731 -5.687 169 HA SER 24 HA SER 24 6.511 -8.254 -5.157 170 HB2 SER 24 1HB SER 24 5.932 -11.117 -5.828 171 HB3 SER 24 2HB SER 24 4.763 -9.789 -5.843 172 HG SER 24 HG SER 24 7.160 -9.903 -7.341 173 H LYS 25 H LYS 25 5.807 -11.448 -3.484 174 HA LYS 25 HA LYS 25 4.091 -10.268 -1.748 175 HB2 LYS 25 1HB LYS 25 3.968 -12.417 -2.435 176 HB3 LYS 25 2HB LYS 25 5.628 -12.730 -2.079 177 HG2 LYS 25 1HG LYS 25 5.357 -13.124 -0.050 178 HG3 LYS 25 2HG LYS 25 4.307 -11.724 0.155 179 HD2 LYS 25 1HD LYS 25 3.095 -13.730 0.704 180 HD3 LYS 25 2HD LYS 25 2.611 -12.951 -0.846 181 HE2 LYS 25 1HE LYS 25 2.862 -15.496 -1.121 182 HE3 LYS 25 2HE LYS 25 3.798 -14.334 -2.110 183 HZ1 LYS 25 1HZ LYS 25 5.174 -16.328 -1.183 184 HZ2 LYS 25 2HZ LYS 25 5.134 -15.498 0.300 185 HZ3 LYS 25 3HZ LYS 25 5.788 -14.806 -0.990 186 H GLU 26 H GLU 26 7.056 -11.826 -1.210 187 HA GLU 26 HA GLU 26 7.003 -10.820 1.286 188 HB2 GLU 26 1HB GLU 26 9.637 -11.776 1.294 189 HB3 GLU 26 2HB GLU 26 8.198 -12.622 1.807 190 HG2 GLU 26 1HG GLU 26 9.255 -12.715 -1.017 191 HG3 GLU 26 2HG GLU 26 9.730 -13.858 0.234 192 H VAL 27 H VAL 27 7.737 -9.062 -1.265 193 HA VAL 27 HA VAL 27 9.636 -7.391 0.176 194 HB VAL 27 HB VAL 27 10.399 -6.584 -1.665 195 HG11 VAL 27 1HG1 VAL 27 8.516 -8.332 -2.961 196 HG12 VAL 27 2HG1 VAL 27 10.160 -8.782 -2.327 197 HG13 VAL 27 3HG1 VAL 27 9.999 -7.633 -3.711 198 HG21 VAL 27 1HG2 VAL 27 7.661 -6.280 -2.635 199 HG22 VAL 27 2HG2 VAL 27 9.137 -5.460 -3.293 200 HG23 VAL 27 3HG2 VAL 27 8.570 -5.195 -1.585 201 H ILE 28 H ILE 28 6.114 -7.608 -0.401 202 HA ILE 28 HA ILE 28 5.609 -5.053 0.330 203 HB ILE 28 HB ILE 28 4.385 -7.659 0.936 204 HG12 ILE 28 1HG1 ILE 28 3.469 -7.360 -1.296 205 HG13 ILE 28 2HG1 ILE 28 2.693 -6.370 -0.212 206 HG21 ILE 28 1HG2 ILE 28 3.660 -6.127 2.777 207 HG22 ILE 28 2HG2 ILE 28 2.278 -6.508 1.755 208 HG23 ILE 28 3HG2 ILE 28 3.032 -4.953 1.609 209 HD11 ILE 28 1HD1 ILE 28 3.500 -5.144 -2.252 210 HD12 ILE 28 2HD1 ILE 28 5.023 -5.239 -1.351 211 HD13 ILE 28 3HD1 ILE 28 3.733 -4.320 -0.648 212 H ALA 29 H ALA 29 6.141 -7.955 1.964 213 HA ALA 29 HA ALA 29 6.119 -7.230 4.405 214 HB1 ALA 29 1HB ALA 29 7.755 -9.061 4.763 215 HB2 ALA 29 2HB ALA 29 7.767 -9.047 2.932 216 HB3 ALA 29 3HB ALA 29 6.270 -9.357 3.807 217 H PHE 30 H PHE 30 9.007 -6.833 2.286 218 HA PHE 30 HA PHE 30 10.588 -5.717 4.309 219 HB2 PHE 30 2HB PHE 30 11.946 -6.110 2.644 220 HB3 PHE 30 1HB PHE 30 10.609 -6.060 1.447 221 HD1 PHE 30 1HD PHE 30 10.525 -4.413 -0.107 222 HD2 PHE 30 2HD PHE 30 12.758 -3.675 3.560 223 HE1 PHE 30 1HE PHE 30 11.378 -2.422 -0.918 224 HE2 PHE 30 2HE PHE 30 13.560 -1.685 2.621 225 HZ PHE 30 HZ PHE 30 12.894 -1.045 0.396 226 H LEU 31 H LEU 31 8.497 -4.516 1.807 227 HA LEU 31 HA LEU 31 8.873 -1.881 2.093 228 HB2 LEU 31 1HB LEU 31 6.728 -3.670 1.373 229 HB3 LEU 31 2HB LEU 31 6.270 -1.977 1.298 230 HG LEU 31 HG LEU 31 8.271 -3.547 -0.177 231 HD11 LEU 31 1HD1 LEU 31 7.180 -3.076 -1.904 232 HD12 LEU 31 2HD1 LEU 31 6.532 -1.509 -1.447 233 HD13 LEU 31 3HD1 LEU 31 5.795 -3.049 -0.794 234 HD21 LEU 31 1HD2 LEU 31 8.309 -0.668 0.434 235 HD22 LEU 31 2HD2 LEU 31 8.831 -1.246 -1.161 236 HD23 LEU 31 3HD2 LEU 31 9.607 -1.904 0.297 237 H ALA 32 H ALA 32 7.031 -4.094 3.814 238 HA ALA 32 HA ALA 32 5.610 -2.194 5.417 239 HB1 ALA 32 1HB ALA 32 4.860 -4.272 4.556 240 HB2 ALA 32 2HB ALA 32 4.586 -3.973 6.238 241 HB3 ALA 32 3HB ALA 32 5.944 -5.084 5.705 242 H GLU 33 H GLU 33 8.544 -4.099 5.829 243 HA GLU 33 HA GLU 33 8.443 -3.841 8.566 244 HB2 GLU 33 1HB GLU 33 10.499 -5.135 8.534 245 HB3 GLU 33 2HB GLU 33 9.334 -5.354 7.178 246 HG2 GLU 33 1HG GLU 33 10.580 -4.373 5.683 247 HG3 GLU 33 2HG GLU 33 11.600 -3.518 6.768 248 H ARG 34 H ARG 34 9.553 -2.367 5.990 249 HA ARG 34 HA ARG 34 11.394 -0.347 6.908 250 HB2 ARG 34 1HB ARG 34 11.481 -1.762 4.905 251 HB3 ARG 34 2HB ARG 34 10.095 -0.947 4.267 252 HG2 ARG 34 1HG ARG 34 12.031 -0.110 3.327 253 HG3 ARG 34 2HG ARG 34 11.237 1.029 4.510 254 HD2 ARG 34 1HD ARG 34 12.878 0.774 6.070 255 HD3 ARG 34 2HD ARG 34 13.281 -0.791 5.307 256 HE ARG 34 HE ARG 34 14.421 0.217 3.704 257 HH11 ARG 34 1HH1 ARG 34 13.441 2.557 6.190 258 HH12 ARG 34 2HH1 ARG 34 14.382 3.850 5.644 259 HH21 ARG 34 1HH2 ARG 34 15.808 1.938 2.952 260 HH22 ARG 34 2HH2 ARG 34 15.838 3.489 3.656 261 H PHE 35 H PHE 35 8.058 -0.433 5.473 262 HA PHE 35 HA PHE 35 7.635 2.270 6.429 263 HB2 PHE 35 2HB PHE 35 7.017 0.500 4.402 264 HB3 PHE 35 1HB PHE 35 5.825 1.664 4.332 265 HD1 PHE 35 1HD PHE 35 8.143 3.945 4.850 266 HD2 PHE 35 2HD PHE 35 7.875 0.429 2.523 267 HE1 PHE 35 1HE PHE 35 9.963 4.747 3.385 268 HE2 PHE 35 2HE PHE 35 9.546 1.135 1.131 269 HZ PHE 35 HZ PHE 35 10.707 3.300 1.464 270 HA PRO 36 HA PRO 36 4.883 -0.729 9.134 271 HB2 PRO 36 2HB PRO 36 5.205 1.739 10.704 272 HB3 PRO 36 1HB PRO 36 5.401 0.034 11.215 273 HG2 PRO 36 2HG PRO 36 7.377 1.920 10.590 274 HG3 PRO 36 1HG PRO 36 7.560 0.205 10.995 275 HD2 PRO 36 2HD PRO 36 8.185 1.299 8.571 276 HD3 PRO 36 1HD PRO 36 7.862 -0.395 8.885 277 H HIS 37 H HIS 37 4.649 2.444 7.712 278 HA HIS 37 HA HIS 37 1.884 2.623 8.582 279 HB2 HIS 37 1HB HIS 37 2.112 4.981 7.282 280 HB3 HIS 37 2HB HIS 37 2.497 4.854 9.014 281 HD1 HIS 37 HD1 HIS 37 4.861 5.672 9.532 282 HD2 HIS 37 HD2 HIS 37 4.168 4.978 5.516 283 HE1 HIS 37 HE1 HIS 37 6.921 6.524 8.377 284 HE2 HIS 37 HE2 HIS 37 6.371 6.374 5.944 285 H CYS 38 H CYS 38 3.618 3.192 5.482 286 HA CYS 38 HA CYS 38 1.627 3.114 3.892 287 HB2 CYS 38 2HB CYS 38 4.328 1.873 3.293 288 HB3 CYS 38 1HB CYS 38 3.200 2.696 2.219 289 HG CYS 38 HG CYS 38 3.577 5.106 3.002 290 H PHE 39 H PHE 39 3.638 0.346 4.897 291 HA PHE 39 HA PHE 39 1.939 -1.397 3.437 292 HB2 PHE 39 2HB PHE 39 4.585 -0.925 4.265 293 HB3 PHE 39 1HB PHE 39 4.490 -2.501 3.811 294 HD1 PHE 39 1HD PHE 39 2.625 -2.131 1.402 295 HD2 PHE 39 2HD PHE 39 5.857 0.043 3.011 296 HE1 PHE 39 1HE PHE 39 3.127 -1.220 -0.775 297 HE2 PHE 39 2HE PHE 39 6.364 0.910 1.114 298 HZ PHE 39 HZ PHE 39 5.014 0.361 -1.005 299 H SER 40 H SER 40 2.157 -3.634 4.384 300 HA SER 40 HA SER 40 1.340 -3.624 7.245 301 HB2 SER 40 1HB SER 40 0.695 -5.343 4.981 302 HB3 SER 40 2HB SER 40 0.225 -5.624 6.657 303 HG SER 40 HG SER 40 -0.282 -3.117 5.602 304 H ALA 41 H ALA 41 1.574 -6.597 5.897 305 HA ALA 41 HA ALA 41 3.160 -8.146 5.472 306 HB1 ALA 41 1HB ALA 41 4.827 -6.710 5.684 307 HB2 ALA 41 2HB ALA 41 5.294 -8.076 6.804 308 HB3 ALA 41 3HB ALA 41 4.603 -6.492 7.403 309 H GLU 42 H GLU 42 2.437 -6.463 8.123 310 HA GLU 42 HA GLU 42 1.799 -7.726 10.411 311 HB2 GLU 42 1HB GLU 42 0.805 -5.921 8.618 312 HB3 GLU 42 2HB GLU 42 -0.096 -6.001 9.964 313 HG2 GLU 42 1HG GLU 42 2.815 -5.335 9.684 314 HG3 GLU 42 2HG GLU 42 1.590 -4.081 9.716 315 H GLY 43 H GLY 43 0.333 -7.166 7.617 316 HA2 GLY 43 1HA GLY 43 -1.815 -8.762 8.364 317 HA3 GLY 43 2HA GLY 43 -2.267 -7.116 8.044 318 H GLU 44 H GLU 44 -3.684 -8.699 6.576 319 HA GLU 44 HA GLU 44 -3.217 -9.725 4.195 320 HB2 GLU 44 1HB GLU 44 -5.407 -9.065 5.549 321 HB3 GLU 44 2HB GLU 44 -5.275 -7.648 4.502 322 HG2 GLU 44 1HG GLU 44 -5.467 -8.901 2.592 323 HG3 GLU 44 2HG GLU 44 -5.495 -10.445 3.454 324 H ALA 45 H ALA 45 -3.654 -6.290 4.873 325 HA ALA 45 HA ALA 45 -1.625 -5.224 3.344 326 HB1 ALA 45 1HB ALA 45 -4.327 -5.287 2.102 327 HB2 ALA 45 2HB ALA 45 -2.783 -5.929 1.387 328 HB3 ALA 45 3HB ALA 45 -3.038 -4.177 1.519 329 H ARG 46 H ARG 46 -2.591 -2.784 2.753 330 HA ARG 46 HA ARG 46 -4.424 -1.759 4.650 331 HB2 ARG 46 1HB ARG 46 -1.452 -1.049 4.690 332 HB3 ARG 46 2HB ARG 46 -2.667 0.099 5.230 333 HG2 ARG 46 1HG ARG 46 -3.356 -1.401 6.997 334 HG3 ARG 46 2HG ARG 46 -2.265 -2.647 6.404 335 HD2 ARG 46 1HD ARG 46 -0.344 -1.213 6.947 336 HD3 ARG 46 2HD ARG 46 -1.443 0.038 7.538 337 HE ARG 46 HE ARG 46 -2.238 -1.872 9.068 338 HH11 ARG 46 1HH1 ARG 46 1.187 -1.255 8.225 339 HH12 ARG 46 2HH1 ARG 46 1.780 -1.939 9.648 340 HH21 ARG 46 1HH2 ARG 46 -1.330 -2.881 11.055 341 HH22 ARG 46 2HH2 ARG 46 0.331 -2.972 11.271 342 HA PRO 47 HA PRO 47 -5.116 0.642 1.019 343 HB2 PRO 47 2HB PRO 47 -5.205 3.122 2.655 344 HB3 PRO 47 1HB PRO 47 -6.500 2.490 1.598 345 HG2 PRO 47 2HG PRO 47 -6.708 2.352 4.228 346 HG3 PRO 47 1HG PRO 47 -7.256 1.017 3.194 347 HD2 PRO 47 2HD PRO 47 -4.814 1.184 4.893 348 HD3 PRO 47 1HD PRO 47 -5.873 -0.198 4.551 349 H LEU 48 H LEU 48 -3.774 1.454 -0.465 350 HA LEU 48 HA LEU 48 -1.456 2.964 0.336 351 HB2 LEU 48 1HB LEU 48 -0.539 0.904 0.447 352 HB3 LEU 48 2HB LEU 48 -1.579 0.133 -0.700 353 HG LEU 48 HG LEU 48 -0.365 1.827 -2.144 354 HD11 LEU 48 1HD1 LEU 48 1.209 2.620 -0.561 355 HD12 LEU 48 2HD1 LEU 48 2.076 1.412 -1.596 356 HD13 LEU 48 3HD1 LEU 48 1.425 0.932 -0.019 357 HD21 LEU 48 1HD2 LEU 48 -0.285 0.022 -3.134 358 HD22 LEU 48 2HD2 LEU 48 -0.086 -0.912 -1.636 359 HD23 LEU 48 3HD2 LEU 48 1.338 -0.189 -2.449 360 H LYS 49 H LYS 49 -0.419 3.875 -1.819 361 HA LYS 49 HA LYS 49 -2.408 4.381 -3.769 362 HB2 LYS 49 1HB LYS 49 -0.703 5.957 -4.437 363 HB3 LYS 49 2HB LYS 49 -1.315 6.392 -2.851 364 HG2 LYS 49 1HG LYS 49 0.757 5.305 -1.968 365 HG3 LYS 49 2HG LYS 49 1.283 5.163 -3.643 366 HD2 LYS 49 1HD LYS 49 0.686 7.749 -2.169 367 HD3 LYS 49 2HD LYS 49 2.271 7.109 -2.478 368 HE2 LYS 49 1HE LYS 49 2.080 7.466 -4.845 369 HE3 LYS 49 2HE LYS 49 0.371 7.869 -4.713 370 HZ1 LYS 49 1HZ LYS 49 2.462 9.471 -3.331 371 HZ2 LYS 49 2HZ LYS 49 0.914 9.966 -3.674 372 HZ3 LYS 49 3HZ LYS 49 2.049 9.829 -4.907 373 H ILE 50 H ILE 50 -1.331 4.086 -5.888 374 HA ILE 50 HA ILE 50 0.747 2.055 -5.709 375 HB ILE 50 HB ILE 50 -1.402 2.359 -7.632 376 HG12 ILE 50 1HG1 ILE 50 0.294 0.120 -6.514 377 HG13 ILE 50 2HG1 ILE 50 -1.150 0.790 -5.768 378 HG21 ILE 50 1HG2 ILE 50 0.616 2.868 -8.898 379 HG22 ILE 50 2HG2 ILE 50 -0.025 1.239 -9.393 380 HG23 ILE 50 3HG2 ILE 50 1.325 1.434 -8.193 381 HD11 ILE 50 1HD1 ILE 50 -2.484 -0.037 -7.417 382 HD12 ILE 50 2HD1 ILE 50 -1.326 -1.381 -7.003 383 HD13 ILE 50 3HD1 ILE 50 -1.114 -0.402 -8.466 384 H GLY 51 H GLY 51 0.434 5.019 -7.030 385 HA2 GLY 51 1HA GLY 51 3.012 5.065 -8.367 386 HA3 GLY 51 2HA GLY 51 2.101 6.478 -7.842 387 H ILE 52 H ILE 52 2.330 5.051 -4.893 388 HA ILE 52 HA ILE 52 4.471 6.094 -3.708 389 HB ILE 52 HB ILE 52 2.821 4.921 -2.435 390 HG12 ILE 52 1HG1 ILE 52 5.330 3.586 -2.836 391 HG13 ILE 52 2HG1 ILE 52 5.057 4.831 -1.734 392 HG21 ILE 52 1HG2 ILE 52 2.025 2.818 -3.005 393 HG22 ILE 52 2HG2 ILE 52 3.682 2.387 -3.366 394 HG23 ILE 52 3HG2 ILE 52 2.741 3.140 -4.645 395 HD11 ILE 52 1HD1 ILE 52 3.489 2.382 -1.821 396 HD12 ILE 52 2HD1 ILE 52 3.924 3.239 -0.282 397 HD13 ILE 52 3HD1 ILE 52 5.098 2.282 -1.303 398 H PHE 53 H PHE 53 4.277 3.225 -5.770 399 HA PHE 53 HA PHE 53 6.268 1.773 -4.892 400 HB2 PHE 53 2HB PHE 53 5.017 1.070 -6.398 401 HB3 PHE 53 1HB PHE 53 5.093 2.426 -7.507 402 HD1 PHE 53 1HD PHE 53 6.905 2.447 -9.218 403 HD2 PHE 53 2HD PHE 53 6.849 -0.049 -5.955 404 HE1 PHE 53 1HE PHE 53 8.940 1.234 -10.118 405 HE2 PHE 53 2HE PHE 53 8.531 -1.340 -6.810 406 HZ PHE 53 HZ PHE 53 9.711 -0.797 -8.800 407 H GLN 54 H GLN 54 6.336 4.302 -7.109 408 HA GLN 54 HA GLN 54 9.001 4.740 -7.824 409 HB2 GLN 54 1HB GLN 54 6.937 5.573 -8.770 410 HB3 GLN 54 2HB GLN 54 6.628 5.902 -7.231 411 HG2 GLN 54 1HG GLN 54 8.625 7.347 -7.358 412 HG3 GLN 54 2HG GLN 54 7.727 8.099 -8.821 413 HE21 GLN 54 1HE2 GLN 54 7.441 7.497 -5.021 414 HE22 GLN 54 2HE2 GLN 54 6.456 6.509 -5.810 415 H ASP 55 H ASP 55 7.670 5.107 -5.097 416 HA ASP 55 HA ASP 55 9.327 7.225 -4.102 417 HB2 ASP 55 1HB ASP 55 6.533 6.704 -3.477 418 HB3 ASP 55 2HB ASP 55 7.379 6.035 -2.401 419 H LEU 56 H LEU 56 8.107 4.287 -3.425 420 HA LEU 56 HA LEU 56 9.543 3.218 -1.350 421 HB2 LEU 56 1HB LEU 56 8.360 2.542 -3.954 422 HB3 LEU 56 2HB LEU 56 8.246 2.924 -2.321 423 HG LEU 56 HG LEU 56 8.732 0.323 -2.536 424 HD11 LEU 56 1HD1 LEU 56 7.001 2.267 -1.344 425 HD12 LEU 56 2HD1 LEU 56 8.593 1.954 -0.508 426 HD13 LEU 56 3HD1 LEU 56 7.320 0.689 -0.637 427 HD21 LEU 56 1HD2 LEU 56 6.352 0.587 -2.343 428 HD22 LEU 56 2HD2 LEU 56 7.164 0.601 -3.945 429 HD23 LEU 56 3HD2 LEU 56 6.727 2.166 -3.023 430 H VAL 57 H VAL 57 9.933 3.257 -4.581 431 HA VAL 57 HA VAL 57 12.230 1.913 -4.584 432 HB VAL 57 HB VAL 57 12.594 2.471 -6.885 433 HG11 VAL 57 1HG1 VAL 57 10.388 1.636 -5.413 434 HG12 VAL 57 2HG1 VAL 57 11.028 0.883 -6.943 435 HG13 VAL 57 3HG1 VAL 57 9.832 2.334 -6.893 436 HG21 VAL 57 1HG2 VAL 57 12.094 4.720 -6.841 437 HG22 VAL 57 2HG2 VAL 57 10.426 4.484 -6.359 438 HG23 VAL 57 3HG2 VAL 57 10.983 3.883 -7.968 439 H ASP 58 H ASP 58 11.760 5.366 -4.391 440 HA ASP 58 HA ASP 58 13.993 6.636 -4.776 441 HB2 ASP 58 1HB ASP 58 11.844 6.938 -3.106 442 HB3 ASP 58 2HB ASP 58 13.057 6.448 -2.144 443 H ARG 59 H ARG 59 13.060 4.523 -2.232 444 HA ARG 59 HA ARG 59 15.330 4.649 -0.553 445 HB2 ARG 59 1HB ARG 59 12.656 4.258 -0.498 446 HB3 ARG 59 2HB ARG 59 13.461 3.647 1.008 447 HG2 ARG 59 1HG ARG 59 13.271 5.831 1.717 448 HG3 ARG 59 2HG ARG 59 13.957 6.424 0.190 449 HD2 ARG 59 1HD ARG 59 11.855 5.858 -0.878 450 HD3 ARG 59 2HD ARG 59 11.028 5.604 0.587 451 HE ARG 59 HE ARG 59 12.499 8.097 -0.057 452 HH11 ARG 59 1HH1 ARG 59 9.461 6.744 0.995 453 HH12 ARG 59 2HH1 ARG 59 8.487 7.914 0.191 454 HH21 ARG 59 1HH2 ARG 59 11.201 9.762 -1.062 455 HH22 ARG 59 2HH2 ARG 59 9.484 9.645 -1.017 456 H VAL 60 H VAL 60 12.656 2.399 -1.597 457 HA VAL 60 HA VAL 60 13.316 0.580 0.066 458 HB VAL 60 HB VAL 60 11.929 -0.813 -1.472 459 HG11 VAL 60 1HG1 VAL 60 10.367 0.962 -1.665 460 HG12 VAL 60 2HG1 VAL 60 11.516 1.866 -0.524 461 HG13 VAL 60 3HG1 VAL 60 10.766 0.225 -0.049 462 HG21 VAL 60 1HG2 VAL 60 10.855 0.962 -3.046 463 HG22 VAL 60 2HG2 VAL 60 12.046 -0.299 -3.502 464 HG23 VAL 60 3HG2 VAL 60 12.576 1.330 -3.014 465 H ALA 61 H ALA 61 14.210 0.896 -3.130 466 HA ALA 61 HA ALA 61 13.931 -1.595 -3.770 467 HB1 ALA 61 1HB ALA 61 13.822 0.185 -5.085 468 HB2 ALA 61 2HB ALA 61 14.707 -1.172 -5.825 469 HB3 ALA 61 3HB ALA 61 15.585 0.297 -5.251 470 H GLY 62 H GLY 62 16.864 -0.476 -4.041 471 HA2 GLY 62 1HA GLY 62 17.535 -3.222 -3.694 472 HA3 GLY 62 2HA GLY 62 18.483 -2.328 -4.786 473 H GLU 63 H GLU 63 17.289 -1.760 -1.772 474 HA GLU 63 HA GLU 63 19.542 -1.286 -0.228 475 HB2 GLU 63 1HB GLU 63 16.839 -2.265 0.207 476 HB3 GLU 63 2HB GLU 63 17.847 -2.427 1.579 477 HG2 GLU 63 1HG GLU 63 18.176 0.234 0.909 478 HG3 GLU 63 2HG GLU 63 16.595 -0.152 0.189 479 H MET 64 H MET 64 17.573 -3.932 -1.103 480 HA MET 64 HA MET 64 19.262 -5.904 0.140 481 HB2 MET 64 1HB MET 64 16.627 -5.306 0.071 482 HB3 MET 64 2HB MET 64 16.947 -7.040 0.353 483 HG2 MET 64 1HG MET 64 18.098 -6.118 2.383 484 HG3 MET 64 2HG MET 64 17.379 -4.539 1.985 485 HE1 MET 64 1HE MET 64 14.472 -4.403 1.368 486 HE2 MET 64 2HE MET 64 13.591 -5.943 1.432 487 HE3 MET 64 3HE MET 64 14.957 -5.764 0.386 488 H ASN 65 H ASN 65 16.400 -5.882 -1.371 489 HA ASN 65 HA ASN 65 17.242 -7.872 -3.206 490 HB2 ASN 65 1HB ASN 65 15.153 -7.465 -1.388 491 HB3 ASN 65 2HB ASN 65 14.683 -8.655 -2.460 492 HD21 ASN 65 1HD2 ASN 65 15.996 -9.754 0.552 493 HD22 ASN 65 2HD2 ASN 65 14.808 -8.719 0.214 494 H LEU 66 H LEU 66 16.519 -5.069 -4.069 495 HA LEU 66 HA LEU 66 14.143 -5.752 -5.825 496 HB2 LEU 66 1HB LEU 66 14.837 -4.104 -3.923 497 HB3 LEU 66 2HB LEU 66 13.999 -3.040 -4.930 498 HG LEU 66 HG LEU 66 13.626 -4.775 -2.678 499 HD11 LEU 66 1HD1 LEU 66 12.113 -2.606 -3.918 500 HD12 LEU 66 2HD1 LEU 66 13.105 -2.624 -2.474 501 HD13 LEU 66 3HD1 LEU 66 11.518 -3.460 -2.475 502 HD21 LEU 66 1HD2 LEU 66 11.482 -5.770 -3.163 503 HD22 LEU 66 2HD2 LEU 66 12.969 -6.165 -4.123 504 HD23 LEU 66 3HD2 LEU 66 11.691 -5.224 -4.903 505 H SER 67 H SER 67 14.364 -5.475 -7.598 506 HA SER 67 HA SER 67 16.200 -3.589 -8.847 507 HB2 SER 67 1HB SER 67 16.343 -5.930 -9.385 508 HB3 SER 67 2HB SER 67 14.603 -5.993 -9.643 509 HG SER 67 HG SER 67 16.364 -5.724 -11.488 510 H LYS 68 H LYS 68 13.813 -2.634 -7.471 511 HA LYS 68 HA LYS 68 11.760 -1.617 -7.503 512 HB2 LYS 68 1HB LYS 68 11.777 -0.833 -10.197 513 HB3 LYS 68 2HB LYS 68 11.502 0.208 -8.833 514 HG2 LYS 68 1HG LYS 68 14.032 -0.531 -10.239 515 HG3 LYS 68 2HG LYS 68 13.307 1.071 -10.047 516 HD2 LYS 68 1HD LYS 68 13.827 1.052 -7.675 517 HD3 LYS 68 2HD LYS 68 13.827 -0.640 -7.984 518 HE2 LYS 68 1HE LYS 68 16.027 -0.669 -8.862 519 HE3 LYS 68 2HE LYS 68 15.827 0.949 -9.525 520 HZ1 LYS 68 1HZ LYS 68 16.493 0.231 -6.716 521 HZ2 LYS 68 2HZ LYS 68 16.167 1.809 -7.238 522 HZ3 LYS 68 3HZ LYS 68 17.507 0.984 -7.841 523 H THR 69 H THR 69 12.024 -3.534 -10.526 524 HA THR 69 HA THR 69 9.294 -3.138 -10.854 525 HB THR 69 HB THR 69 9.485 -4.460 -12.503 526 HG1 THR 69 1HG THR 69 12.073 -5.178 -12.845 527 HG21 THR 69 1HG2 THR 69 11.335 -3.308 -13.845 528 HG22 THR 69 2HG2 THR 69 11.862 -2.772 -12.233 529 HG23 THR 69 3HG2 THR 69 10.285 -2.251 -12.850 530 H GLN 70 H GLN 70 11.282 -5.370 -9.464 531 HA GLN 70 HA GLN 70 9.320 -7.479 -9.148 532 HB2 GLN 70 1HB GLN 70 10.949 -8.398 -7.535 533 HB3 GLN 70 2HB GLN 70 11.746 -8.067 -9.043 534 HG2 GLN 70 1HG GLN 70 12.612 -6.075 -8.225 535 HG3 GLN 70 2HG GLN 70 11.542 -6.396 -6.833 536 HE21 GLN 70 1HE2 GLN 70 13.362 -8.475 -5.302 537 HE22 GLN 70 2HE2 GLN 70 11.777 -7.822 -5.532 538 H LEU 71 H LEU 71 9.908 -4.550 -7.742 539 HA LEU 71 HA LEU 71 8.503 -4.973 -5.202 540 HB2 LEU 71 1HB LEU 71 10.697 -3.657 -5.602 541 HB3 LEU 71 2HB LEU 71 9.855 -2.528 -6.446 542 HG LEU 71 HG LEU 71 10.331 -2.819 -3.762 543 HD11 LEU 71 1HD1 LEU 71 9.911 -0.502 -3.650 544 HD12 LEU 71 2HD1 LEU 71 8.985 -0.614 -5.172 545 HD13 LEU 71 3HD1 LEU 71 10.736 -0.854 -5.164 546 HD21 LEU 71 1HD2 LEU 71 7.553 -2.585 -4.514 547 HD22 LEU 71 2HD2 LEU 71 8.191 -1.883 -3.028 548 HD23 LEU 71 3HD2 LEU 71 8.306 -3.647 -3.327 549 H ARG 72 H ARG 72 8.259 -3.328 -8.340 550 HA ARG 72 HA ARG 72 5.995 -1.921 -7.572 551 HB2 ARG 72 1HB ARG 72 5.682 -1.415 -10.068 552 HB3 ARG 72 2HB ARG 72 7.370 -1.344 -9.535 553 HG2 ARG 72 1HG ARG 72 7.614 -2.406 -11.414 554 HG3 ARG 72 2HG ARG 72 7.506 -3.613 -10.058 555 HD2 ARG 72 1HD ARG 72 6.171 -4.552 -11.856 556 HD3 ARG 72 2HD ARG 72 5.162 -3.752 -10.606 557 HE ARG 72 HE ARG 72 5.152 -1.798 -12.168 558 HH11 ARG 72 1HH1 ARG 72 5.176 -5.151 -13.336 559 HH12 ARG 72 2HH1 ARG 72 4.529 -4.816 -14.864 560 HH21 ARG 72 1HH2 ARG 72 4.235 -1.284 -14.324 561 HH22 ARG 72 2HH2 ARG 72 3.975 -2.526 -15.446 562 H SER 73 H SER 73 6.547 -5.009 -8.409 563 HA SER 73 HA SER 73 4.036 -5.797 -9.283 564 HB2 SER 73 1HB SER 73 5.777 -6.364 -10.187 565 HB3 SER 73 2HB SER 73 6.684 -6.769 -8.844 566 HG SER 73 HG SER 73 5.536 -8.806 -8.702 567 H ALA 74 H ALA 74 5.703 -5.413 -6.601 568 HA ALA 74 HA ALA 74 4.200 -7.202 -4.752 569 HB1 ALA 74 1HB ALA 74 5.437 -6.038 -2.968 570 HB2 ALA 74 2HB ALA 74 6.004 -4.858 -4.136 571 HB3 ALA 74 3HB ALA 74 6.566 -6.513 -4.232 572 H LEU 75 H LEU 75 4.159 -4.365 -6.157 573 HA LEU 75 HA LEU 75 2.284 -3.126 -4.441 574 HB2 LEU 75 1HB LEU 75 4.416 -3.033 -5.385 575 HB3 LEU 75 2HB LEU 75 4.219 -1.943 -6.485 576 HG LEU 75 HG LEU 75 3.932 -2.002 -3.461 577 HD11 LEU 75 1HD1 LEU 75 5.887 -1.006 -3.493 578 HD12 LEU 75 2HD1 LEU 75 5.415 -0.104 -4.889 579 HD13 LEU 75 3HD1 LEU 75 6.043 -1.765 -5.116 580 HD21 LEU 75 1HD2 LEU 75 2.358 -0.231 -4.532 581 HD22 LEU 75 2HD2 LEU 75 3.995 0.588 -4.771 582 HD23 LEU 75 3HD2 LEU 75 3.455 0.098 -3.189 583 H ARG 76 H ARG 76 1.839 -5.149 -6.188 584 HA ARG 76 HA ARG 76 -0.423 -4.457 -7.965 585 HB2 ARG 76 1HB ARG 76 1.869 -6.255 -8.601 586 HB3 ARG 76 2HB ARG 76 0.285 -6.924 -8.897 587 HG2 ARG 76 1HG ARG 76 1.199 -6.041 -10.908 588 HG3 ARG 76 2HG ARG 76 -0.168 -5.039 -10.410 589 HD2 ARG 76 1HD ARG 76 2.251 -4.396 -9.237 590 HD3 ARG 76 2HD ARG 76 2.353 -4.104 -11.019 591 HE ARG 76 HE ARG 76 1.056 -2.662 -8.913 592 HH11 ARG 76 1HH1 ARG 76 0.510 -3.466 -12.309 593 HH12 ARG 76 2HH1 ARG 76 -0.178 -1.963 -12.736 594 HH21 ARG 76 1HH2 ARG 76 0.192 -0.619 -9.472 595 HH22 ARG 76 2HH2 ARG 76 -0.373 -0.248 -11.038 596 H LEU 77 H LEU 77 1.484 -6.771 -6.192 597 HA LEU 77 HA LEU 77 -0.161 -8.961 -6.028 598 HB2 LEU 77 1HB LEU 77 2.405 -8.567 -5.365 599 HB3 LEU 77 2HB LEU 77 1.805 -8.020 -4.033 600 HG LEU 77 HG LEU 77 0.481 -10.380 -4.110 601 HD11 LEU 77 1HD1 LEU 77 2.565 -11.752 -4.129 602 HD12 LEU 77 2HD1 LEU 77 3.381 -10.173 -4.300 603 HD13 LEU 77 3HD1 LEU 77 2.470 -10.828 -5.684 604 HD21 LEU 77 1HD2 LEU 77 2.724 -9.114 -2.923 605 HD22 LEU 77 2HD2 LEU 77 1.951 -10.538 -2.118 606 HD23 LEU 77 3HD2 LEU 77 1.080 -8.959 -2.289 607 H TYR 78 H TYR 78 0.761 -6.771 -3.532 608 HA TYR 78 HA TYR 78 -1.309 -7.908 -2.074 609 HB2 TYR 78 2HB TYR 78 -0.502 -7.142 -0.056 610 HB3 TYR 78 1HB TYR 78 0.958 -7.103 -0.963 611 HD1 TYR 78 1HD TYR 78 0.777 -4.655 -2.413 612 HD2 TYR 78 2HD TYR 78 -0.367 -5.711 1.468 613 HE1 TYR 78 1HE TYR 78 0.994 -2.388 -1.812 614 HE2 TYR 78 2HE TYR 78 -0.119 -3.480 2.208 615 HH TYR 78 HH TYR 78 0.399 -1.447 1.671 616 H THR 79 H THR 79 -0.893 -5.431 -4.072 617 HA THR 79 HA THR 79 -2.926 -3.611 -3.017 618 HB THR 79 HB THR 79 -2.532 -2.163 -4.834 619 HG1 THR 79 1HG THR 79 -2.561 -3.737 -6.536 620 HG21 THR 79 1HG2 THR 79 -0.122 -3.668 -4.099 621 HG22 THR 79 2HG2 THR 79 -0.858 -2.305 -3.243 622 HG23 THR 79 3HG2 THR 79 -0.082 -2.047 -4.833 623 H SER 80 H SER 80 -2.926 -6.386 -4.881 624 HA SER 80 HA SER 80 -5.626 -5.952 -5.816 625 HB2 SER 80 1HB SER 80 -3.843 -8.406 -5.991 626 HB3 SER 80 2HB SER 80 -5.424 -8.236 -6.757 627 HG SER 80 HG SER 80 -3.056 -6.794 -7.266 628 H SER 81 H SER 81 -4.268 -6.403 -2.914 629 HA SER 81 HA SER 81 -6.033 -8.443 -1.983 630 HB2 SER 81 1HB SER 81 -4.045 -8.390 -0.884 631 HB3 SER 81 2HB SER 81 -4.084 -6.597 -0.634 632 HG SER 81 HG SER 81 -4.516 -8.112 1.166 633 H TRP 82 H TRP 82 -7.291 -7.874 -0.396 634 HA TRP 82 HA TRP 82 -9.197 -5.670 -1.207 635 HB2 TRP 82 2HB TRP 82 -9.855 -8.166 -0.376 636 HB3 TRP 82 1HB TRP 82 -9.702 -7.319 1.155 637 HD1 TRP 82 1HD TRP 82 -10.910 -5.840 -1.982 638 HE1 TRP 82 1HE TRP 82 -13.363 -5.464 -1.752 639 HE3 TRP 82 3HE TRP 82 -11.468 -8.020 2.399 640 HZ2 TRP 82 2HZ TRP 82 -15.289 -5.954 0.184 641 HZ3 TRP 82 3HZ TRP 82 -13.622 -7.990 3.393 642 HH2 TRP 82 2HH TRP 82 -15.554 -6.992 2.194 643 H ARG 83 H ARG 83 -7.594 -6.679 1.418 644 HA ARG 83 HA ARG 83 -8.340 -4.656 3.186 645 HB2 ARG 83 1HB ARG 83 -7.487 -6.482 3.591 646 HB3 ARG 83 2HB ARG 83 -5.799 -6.231 3.057 647 HG2 ARG 83 1HG ARG 83 -5.605 -5.856 5.383 648 HG3 ARG 83 2HG ARG 83 -6.163 -4.260 4.835 649 HD2 ARG 83 1HD ARG 83 -7.546 -5.038 6.692 650 HD3 ARG 83 2HD ARG 83 -8.321 -4.884 5.081 651 HE ARG 83 HE ARG 83 -7.924 -7.380 4.885 652 HH11 ARG 83 1HH1 ARG 83 -8.843 -5.875 7.935 653 HH12 ARG 83 2HH1 ARG 83 -9.431 -7.313 8.635 654 HH21 ARG 83 1HH2 ARG 83 -8.628 -9.332 5.789 655 HH22 ARG 83 2HH2 ARG 83 -9.305 -9.387 7.358 656 H TYR 84 H TYR 84 -6.220 -4.664 0.687 657 HA TYR 84 HA TYR 84 -4.860 -2.274 1.101 658 HB2 TYR 84 2HB TYR 84 -4.260 -3.949 -0.594 659 HB3 TYR 84 1HB TYR 84 -5.826 -3.779 -1.259 660 HD1 TYR 84 1HD TYR 84 -6.437 -2.340 -2.720 661 HD2 TYR 84 2HD TYR 84 -2.586 -1.780 -0.955 662 HE1 TYR 84 1HE TYR 84 -5.906 -0.673 -4.403 663 HE2 TYR 84 2HE TYR 84 -2.079 -0.161 -2.573 664 HH TYR 84 HH TYR 84 -2.690 0.467 -4.822 665 H LEU 85 H LEU 85 -7.678 -3.001 -0.888 666 HA LEU 85 HA LEU 85 -8.168 -0.266 -1.106 667 HB2 LEU 85 1HB LEU 85 -10.212 -0.844 -2.134 668 HB3 LEU 85 2HB LEU 85 -8.582 -0.968 -2.978 669 HG LEU 85 HG LEU 85 -10.429 -2.605 -3.729 670 HD11 LEU 85 1HD1 LEU 85 -8.577 -3.896 -1.911 671 HD12 LEU 85 2HD1 LEU 85 -8.084 -3.308 -3.515 672 HD13 LEU 85 3HD1 LEU 85 -9.309 -4.628 -3.348 673 HD21 LEU 85 1HD2 LEU 85 -11.567 -2.371 -1.541 674 HD22 LEU 85 2HD2 LEU 85 -10.409 -3.489 -0.883 675 HD23 LEU 85 3HD2 LEU 85 -11.512 -3.986 -2.172 676 H TYR 86 H TYR 86 -8.874 -1.678 1.335 677 HA TYR 86 HA TYR 86 -11.447 -1.434 1.991 678 HB2 TYR 86 2HB TYR 86 -9.007 -1.438 2.976 679 HB3 TYR 86 1HB TYR 86 -9.929 -0.639 4.192 680 HD1 TYR 86 1HD TYR 86 -9.958 -3.524 1.803 681 HD2 TYR 86 2HD TYR 86 -10.793 -2.261 5.795 682 HE1 TYR 86 1HE TYR 86 -10.570 -5.503 2.185 683 HE2 TYR 86 2HE TYR 86 -11.451 -4.549 6.342 684 HH TYR 86 HH TYR 86 -10.841 -7.144 4.179 685 H GLY 87 H GLY 87 -9.108 0.748 1.268 686 HA2 GLY 87 1HA GLY 87 -10.632 3.030 0.973 687 HA3 GLY 87 2HA GLY 87 -9.574 3.265 2.370 688 H VAL 88 H VAL 88 -9.808 2.375 -1.032 689 HA VAL 88 HA VAL 88 -7.358 3.807 -1.198 690 HB VAL 88 HB VAL 88 -7.807 1.216 -2.603 691 HG11 VAL 88 1HG1 VAL 88 -5.512 1.596 -3.564 692 HG12 VAL 88 2HG1 VAL 88 -5.467 3.175 -2.782 693 HG13 VAL 88 3HG1 VAL 88 -6.626 2.869 -4.083 694 HG21 VAL 88 1HG2 VAL 88 -7.204 1.314 -0.321 695 HG22 VAL 88 2HG2 VAL 88 -5.691 2.129 -0.743 696 HG23 VAL 88 3HG2 VAL 88 -6.035 0.438 -1.320 697 H LYS 89 H LYS 89 -7.894 5.326 -2.643 698 HA LYS 89 HA LYS 89 -7.402 4.903 -5.207 699 HB2 LYS 89 1HB LYS 89 -9.644 4.317 -5.960 700 HB3 LYS 89 2HB LYS 89 -10.413 5.655 -5.146 701 HG2 LYS 89 1HG LYS 89 -8.334 6.133 -7.310 702 HG3 LYS 89 2HG LYS 89 -10.014 5.825 -7.723 703 HD2 LYS 89 1HD LYS 89 -10.695 7.932 -7.033 704 HD3 LYS 89 2HD LYS 89 -9.538 7.976 -5.710 705 HE2 LYS 89 1HE LYS 89 -8.596 8.253 -8.567 706 HE3 LYS 89 2HE LYS 89 -9.271 9.639 -7.725 707 HZ1 LYS 89 1HZ LYS 89 -7.414 9.661 -6.180 708 HZ2 LYS 89 2HZ LYS 89 -6.689 9.365 -7.621 709 HZ3 LYS 89 3HZ LYS 89 -6.970 8.112 -6.547 710 HA PRO 90 HA PRO 90 -7.482 9.368 -4.261 711 HB2 PRO 90 2HB PRO 90 -8.906 9.707 -1.850 712 HB3 PRO 90 1HB PRO 90 -9.245 10.569 -3.383 713 HG2 PRO 90 2HG PRO 90 -11.028 8.880 -2.332 714 HG3 PRO 90 1HG PRO 90 -10.744 8.929 -4.086 715 HD2 PRO 90 2HD PRO 90 -9.645 7.038 -2.073 716 HD3 PRO 90 1HD PRO 90 -10.368 6.694 -3.654 717 H GLY 91 H GLY 91 -7.415 10.409 -1.573 718 HA2 GLY 91 1HA GLY 91 -5.261 9.229 -1.077 719 HA3 GLY 91 2HA GLY 91 -5.546 10.707 -0.193 720 H ALA 92 H ALA 92 -7.197 8.213 -0.562 721 HA ALA 92 HA ALA 92 -8.013 6.946 1.848 722 HB1 ALA 92 1HB ALA 92 -8.546 5.040 0.273 723 HB2 ALA 92 2HB ALA 92 -7.715 6.032 -0.927 724 HB3 ALA 92 3HB ALA 92 -9.165 6.664 -0.144 725 H THR 93 H THR 93 -5.568 6.350 -0.230 726 HA THR 93 HA THR 93 -4.191 4.255 0.673 727 HB THR 93 HB THR 93 -3.389 5.381 -1.105 728 HG1 THR 93 1HG THR 93 -1.804 4.868 0.689 729 HG21 THR 93 1HG2 THR 93 -2.698 7.841 -0.980 730 HG22 THR 93 2HG2 THR 93 -3.721 7.896 0.453 731 HG23 THR 93 3HG2 THR 93 -4.381 7.368 -1.054 732 H ARG 94 H ARG 94 -4.369 7.484 1.964 733 HA ARG 94 HA ARG 94 -3.508 8.619 3.580 734 HB2 ARG 94 1HB ARG 94 -3.586 5.952 4.847 735 HB3 ARG 94 2HB ARG 94 -2.741 7.382 5.516 736 HG2 ARG 94 1HG ARG 94 -4.938 7.259 6.583 737 HG3 ARG 94 2HG ARG 94 -5.017 8.548 5.390 738 HD2 ARG 94 1HD ARG 94 -6.247 6.975 3.813 739 HD3 ARG 94 2HD ARG 94 -5.995 5.729 5.016 740 HE ARG 94 HE ARG 94 -7.266 7.686 6.379 741 HH11 ARG 94 1HH1 ARG 94 -7.929 5.670 3.588 742 HH12 ARG 94 2HH1 ARG 94 -9.636 5.727 3.720 743 HH21 ARG 94 1HH2 ARG 94 -9.547 7.758 6.684 744 HH22 ARG 94 2HH2 ARG 94 -10.606 7.030 5.555 745 H VAL 95 H VAL 95 -1.531 6.764 1.709 746 HA VAL 95 HA VAL 95 0.701 7.786 3.089 747 HB VAL 95 HB VAL 95 1.774 5.908 3.557 748 HG11 VAL 95 1HG1 VAL 95 -0.923 4.883 3.298 749 HG12 VAL 95 2HG1 VAL 95 -0.224 5.884 4.607 750 HG13 VAL 95 3HG1 VAL 95 0.345 4.199 4.436 751 HG21 VAL 95 1HG2 VAL 95 2.186 5.293 1.557 752 HG22 VAL 95 2HG2 VAL 95 0.548 4.785 1.097 753 HG23 VAL 95 3HG2 VAL 95 1.554 3.762 2.193 754 H ASP 96 H ASP 96 2.207 7.914 2.154 755 HA ASP 96 HA ASP 96 3.406 7.005 -0.384 756 HB2 ASP 96 1HB ASP 96 3.735 9.682 1.101 757 HB3 ASP 96 2HB ASP 96 4.818 9.079 -0.145 758 H LEU 97 H LEU 97 5.746 6.802 0.476 759 HA LEU 97 HA LEU 97 5.278 5.619 2.683 760 HB2 LEU 97 1HB LEU 97 8.040 5.535 1.666 761 HB3 LEU 97 2HB LEU 97 6.982 4.598 2.523 762 HG LEU 97 HG LEU 97 5.511 5.113 0.305 763 HD11 LEU 97 1HD1 LEU 97 6.940 4.377 -1.387 764 HD12 LEU 97 2HD1 LEU 97 8.114 3.869 -0.204 765 HD13 LEU 97 3HD1 LEU 97 7.970 5.584 -0.559 766 HD21 LEU 97 1HD2 LEU 97 5.459 3.476 1.760 767 HD22 LEU 97 2HD2 LEU 97 7.259 3.328 1.300 768 HD23 LEU 97 3HD2 LEU 97 5.935 2.879 0.088 769 H ASP 98 H ASP 98 5.292 8.555 2.754 770 HA ASP 98 HA ASP 98 6.825 9.251 5.056 771 HB2 ASP 98 1HB ASP 98 6.210 10.823 3.014 772 HB3 ASP 98 2HB ASP 98 4.587 10.638 3.666 773 H GLY 99 H GLY 99 3.674 8.617 3.665 774 HA2 GLY 99 1HA GLY 99 1.944 7.661 4.583 775 HA3 GLY 99 2HA GLY 99 2.260 8.087 6.155 776 H ASN 100 H ASN 100 2.024 9.883 3.047 777 HA ASN 100 HA ASN 100 0.125 11.965 3.819 778 HB2 ASN 100 1HB ASN 100 2.206 11.228 1.867 779 HB3 ASN 100 2HB ASN 100 1.116 12.353 1.283 780 HD21 ASN 100 1HD2 ASN 100 3.964 13.854 2.458 781 HD22 ASN 100 2HD2 ASN 100 3.630 12.591 1.326 782 HA PRO 101 HA PRO 101 -2.727 9.150 1.866 783 HB2 PRO 101 2HB PRO 101 -4.231 11.575 1.073 784 HB3 PRO 101 1HB PRO 101 -4.612 10.268 2.128 785 HG2 PRO 101 2HG PRO 101 -3.954 12.651 3.229 786 HG3 PRO 101 1HG PRO 101 -3.136 11.192 3.912 787 HD2 PRO 101 2HD PRO 101 -2.432 12.649 1.583 788 HD3 PRO 101 1HD PRO 101 -1.356 12.920 2.838 789 H CYS 102 H CYS 102 -0.938 8.982 0.233 790 HA CYS 102 HA CYS 102 0.212 9.533 -1.631 791 HB2 CYS 102 2HB CYS 102 -0.909 8.323 -3.066 792 HB3 CYS 102 1HB CYS 102 -2.497 8.677 -2.621 793 HG CYS 102 HG CYS 102 -2.986 10.040 -4.712 794 H GLY 103 H GLY 103 -1.160 11.499 -0.064 795 HA2 GLY 103 1HA GLY 103 -0.904 13.790 0.495 796 HA3 GLY 103 2HA GLY 103 0.052 13.900 -0.966 797 H GLU 104 H GLU 104 -2.624 12.438 -1.399 798 HA GLU 104 HA GLU 104 -3.735 14.357 -3.158 799 HB2 GLU 104 1HB GLU 104 -3.772 12.342 -4.233 800 HB3 GLU 104 2HB GLU 104 -3.557 11.574 -2.655 801 HG2 GLU 104 1HG GLU 104 -5.476 11.164 -2.267 802 HG3 GLU 104 2HG GLU 104 -6.234 12.471 -3.244 803 H LEU 105 H LEU 105 -4.726 12.745 -0.061 804 HA LEU 105 HA LEU 105 -6.985 14.608 0.014 805 HB2 LEU 105 1HB LEU 105 -7.469 12.190 -1.080 806 HB3 LEU 105 2HB LEU 105 -7.316 11.746 0.488 807 HG LEU 105 HG LEU 105 -9.181 14.017 0.099 808 HD11 LEU 105 1HD1 LEU 105 -9.334 11.400 -1.026 809 HD12 LEU 105 2HD1 LEU 105 -10.258 12.867 -1.520 810 HD13 LEU 105 3HD1 LEU 105 -10.771 11.846 -0.085 811 HD21 LEU 105 1HD2 LEU 105 -9.540 13.480 2.032 812 HD22 LEU 105 2HD2 LEU 105 -8.290 12.306 1.872 813 HD23 LEU 105 3HD2 LEU 105 -10.026 11.808 1.616 814 H ASP 106 H ASP 106 -8.002 14.570 1.950 815 HA ASP 106 HA ASP 106 -6.663 14.608 4.514 816 HB2 ASP 106 1HB ASP 106 -8.475 16.247 3.978 817 HB3 ASP 106 2HB ASP 106 -9.307 15.033 3.106 818 H GLU 107 H GLU 107 -8.841 13.283 5.696 819 HA GLU 107 HA GLU 107 -9.017 10.629 4.410 820 HB2 GLU 107 1HB GLU 107 -8.250 9.485 6.217 821 HB3 GLU 107 2HB GLU 107 -7.640 11.132 6.587 822 HG2 GLU 107 1HG GLU 107 -9.242 11.624 8.062 823 HG3 GLU 107 2HG GLU 107 -10.361 10.539 7.350 824 H GLN 108 H GLN 108 -10.811 13.133 5.318 825 HA GLN 108 HA GLN 108 -13.122 11.456 5.804 826 HB2 GLN 108 1HB GLN 108 -12.003 13.579 7.116 827 HB3 GLN 108 2HB GLN 108 -13.120 14.269 5.948 828 HG2 GLN 108 1HG GLN 108 -14.539 13.782 7.889 829 HG3 GLN 108 2HG GLN 108 -14.660 12.421 6.728 830 HE21 GLN 108 1HE2 GLN 108 -11.987 11.439 9.614 831 HE22 GLN 108 2HE2 GLN 108 -11.774 12.811 8.617 832 H HIS 109 H HIS 109 -11.282 12.310 3.490 833 HA HIS 109 HA HIS 109 -13.759 12.137 2.025 834 HB2 HIS 109 1HB HIS 109 -11.221 13.142 1.355 835 HB3 HIS 109 2HB HIS 109 -12.572 13.360 0.172 836 HD1 HIS 109 HD1 HIS 109 -14.453 14.599 2.664 837 HD2 HIS 109 HD2 HIS 109 -10.701 15.977 1.520 838 HE1 HIS 109 HE1 HIS 109 -14.307 16.937 3.524 839 HE2 HIS 109 HE2 HIS 109 -11.876 17.424 3.288 840 H VAL 110 H VAL 110 -10.935 10.896 2.696 841 HA VAL 110 HA VAL 110 -11.501 9.184 0.661 842 HB VAL 110 HB VAL 110 -9.572 7.756 1.529 843 HG11 VAL 110 1HG1 VAL 110 -9.591 10.519 0.590 844 HG12 VAL 110 2HG1 VAL 110 -9.888 9.071 -0.403 845 HG13 VAL 110 3HG1 VAL 110 -8.224 9.470 0.160 846 HG21 VAL 110 1HG2 VAL 110 -7.914 9.161 2.633 847 HG22 VAL 110 2HG2 VAL 110 -9.393 8.964 3.621 848 HG23 VAL 110 3HG2 VAL 110 -9.141 10.436 2.612 849 H GLU 111 H GLU 111 -12.408 9.779 3.044 850 HA GLU 111 HA GLU 111 -13.329 7.763 4.773 851 HB2 GLU 111 1HB GLU 111 -13.405 9.922 5.188 852 HB3 GLU 111 2HB GLU 111 -14.211 10.612 4.127 853 HG2 GLU 111 1HG GLU 111 -15.381 8.333 5.399 854 HG3 GLU 111 2HG GLU 111 -15.511 9.888 6.293 855 H HIS 112 H HIS 112 -14.350 9.040 1.749 856 HA HIS 112 HA HIS 112 -16.470 7.164 1.501 857 HB2 HIS 112 1HB HIS 112 -15.044 8.909 -0.234 858 HB3 HIS 112 2HB HIS 112 -16.553 8.150 -0.849 859 HD1 HIS 112 HD1 HIS 112 -18.825 9.030 0.469 860 HD2 HIS 112 HD2 HIS 112 -15.354 11.108 1.308 861 HE1 HIS 112 HE1 HIS 112 -19.568 11.041 1.741 862 HE2 HIS 112 HE2 HIS 112 -17.395 11.621 2.760 863 H ALA 113 H ALA 113 -13.277 7.091 0.962 864 HA ALA 113 HA ALA 113 -13.384 5.000 -0.823 865 HB1 ALA 113 1HB ALA 113 -11.114 5.452 -0.954 866 HB2 ALA 113 2HB ALA 113 -11.228 5.686 0.810 867 HB3 ALA 113 3HB ALA 113 -11.856 6.985 -0.249 868 H ARG 114 H ARG 114 -13.025 5.769 2.410 869 HA ARG 114 HA ARG 114 -12.127 3.439 3.353 870 HB2 ARG 114 1HB ARG 114 -12.095 5.756 4.490 871 HB3 ARG 114 2HB ARG 114 -13.765 5.511 4.777 872 HG2 ARG 114 1HG ARG 114 -13.451 3.736 6.318 873 HG3 ARG 114 2HG ARG 114 -11.723 3.661 5.968 874 HD2 ARG 114 1HD ARG 114 -12.161 4.836 8.091 875 HD3 ARG 114 2HD ARG 114 -11.411 5.900 6.909 876 HE ARG 114 HE ARG 114 -14.282 6.016 6.952 877 HH11 ARG 114 1HH1 ARG 114 -11.276 7.528 8.398 878 HH12 ARG 114 2HH1 ARG 114 -12.101 8.867 8.912 879 HH21 ARG 114 1HH2 ARG 114 -15.339 8.019 7.763 880 HH22 ARG 114 2HH2 ARG 114 -14.414 9.202 8.540 881 H LYS 115 H LYS 115 -15.183 4.447 1.956 882 HA LYS 115 HA LYS 115 -16.716 2.674 3.528 883 HB2 LYS 115 1HB LYS 115 -18.338 4.410 3.568 884 HB3 LYS 115 2HB LYS 115 -16.829 5.315 3.325 885 HG2 LYS 115 1HG LYS 115 -18.137 6.287 1.834 886 HG3 LYS 115 2HG LYS 115 -17.215 5.101 0.902 887 HD2 LYS 115 1HD LYS 115 -19.278 3.576 1.362 888 HD3 LYS 115 2HD LYS 115 -20.113 5.119 1.607 889 HE2 LYS 115 1HE LYS 115 -19.332 5.892 -0.530 890 HE3 LYS 115 2HE LYS 115 -18.426 4.362 -0.669 891 HZ1 LYS 115 1HZ LYS 115 -21.456 4.652 -0.666 892 HZ2 LYS 115 2HZ LYS 115 -20.629 3.228 -0.514 893 HZ3 LYS 115 3HZ LYS 115 -20.524 3.993 -1.929 894 H GLN 116 H GLN 116 -15.273 3.599 0.376 895 HA GLN 116 HA GLN 116 -17.096 2.244 -0.839 896 HB2 GLN 116 1HB GLN 116 -15.582 2.077 -2.903 897 HB3 GLN 116 2HB GLN 116 -15.845 3.680 -2.225 898 HG2 GLN 116 1HG GLN 116 -13.668 3.804 -2.406 899 HG3 GLN 116 2HG GLN 116 -13.764 2.984 -0.831 900 HE21 GLN 116 1HE2 GLN 116 -12.405 -0.039 -2.215 901 HE22 GLN 116 2HE2 GLN 116 -13.507 0.492 -1.011 902 H LEU 117 H LEU 117 -14.603 0.898 0.959 903 HA LEU 117 HA LEU 117 -15.116 -1.756 0.181 904 HB2 LEU 117 1HB LEU 117 -13.179 -0.219 0.794 905 HB3 LEU 117 2HB LEU 117 -13.189 -1.108 2.222 906 HG LEU 117 HG LEU 117 -12.124 -1.736 0.214 907 HD11 LEU 117 1HD1 LEU 117 -12.409 -3.293 2.061 908 HD12 LEU 117 2HD1 LEU 117 -12.548 -4.320 0.653 909 HD13 LEU 117 3HD1 LEU 117 -14.027 -3.657 1.456 910 HD21 LEU 117 1HD2 LEU 117 -13.790 -1.511 -1.544 911 HD22 LEU 117 2HD2 LEU 117 -14.736 -2.909 -0.991 912 HD23 LEU 117 3HD2 LEU 117 -13.193 -3.130 -1.587 913 H GLU 118 H GLU 118 -16.836 0.449 1.960 914 HA GLU 118 HA GLU 118 -17.689 -1.700 3.440 915 HB2 GLU 118 1HB GLU 118 -18.410 1.223 3.544 916 HB3 GLU 118 2HB GLU 118 -19.506 0.056 4.256 917 HG2 GLU 118 1HG GLU 118 -16.622 0.418 5.037 918 HG3 GLU 118 2HG GLU 118 -17.996 1.111 5.890 919 H GLU 119 H GLU 119 -17.794 -0.844 0.563 920 HA GLU 119 HA GLU 119 -20.518 -1.132 -0.009 921 HB2 GLU 119 1HB GLU 119 -18.097 -1.176 -1.748 922 HB3 GLU 119 2HB GLU 119 -19.757 -1.111 -2.413 923 HG2 GLU 119 1HG GLU 119 -18.550 0.665 -0.519 924 HG3 GLU 119 2HG GLU 119 -18.352 1.031 -2.256 925 H ALA 120 H ALA 120 -17.290 -2.624 -0.144 926 HA ALA 120 HA ALA 120 -18.299 -5.099 -0.955 927 HB1 ALA 120 1HB ALA 120 -16.408 -3.814 -1.726 928 HB2 ALA 120 2HB ALA 120 -16.108 -5.517 -1.415 929 HB3 ALA 120 3HB ALA 120 -15.645 -4.216 -0.209 930 H LYS 121 H LYS 121 -16.774 -4.011 1.844 931 HA LYS 121 HA LYS 121 -16.689 -6.291 3.415 932 HB2 LYS 121 1HB LYS 121 -16.585 -3.488 3.611 933 HB3 LYS 121 2HB LYS 121 -16.927 -4.335 5.181 934 HG2 LYS 121 1HG LYS 121 -15.048 -5.483 4.656 935 HG3 LYS 121 2HG LYS 121 -14.931 -4.704 3.119 936 HD2 LYS 121 1HD LYS 121 -13.404 -3.622 5.041 937 HD3 LYS 121 2HD LYS 121 -14.334 -2.893 3.700 938 HE2 LYS 121 1HE LYS 121 -14.610 -1.538 5.742 939 HE3 LYS 121 2HE LYS 121 -16.036 -2.285 4.999 940 HZ1 LYS 121 1HZ LYS 121 -16.172 -2.269 7.297 941 HZ2 LYS 121 2HZ LYS 121 -14.797 -3.224 7.553 942 HZ3 LYS 121 3HZ LYS 121 -16.199 -3.845 6.760 943 H ALA 122 H ALA 122 -18.828 -3.905 3.752 944 HA ALA 122 HA ALA 122 -20.543 -5.084 5.304 945 HB1 ALA 122 1HB ALA 122 -22.046 -3.448 4.701 946 HB2 ALA 122 2HB ALA 122 -21.180 -3.365 3.122 947 HB3 ALA 122 3HB ALA 122 -20.325 -2.891 4.620 948 H ARG 123 H ARG 123 -19.968 -5.963 1.962 949 HA ARG 123 HA ARG 123 -22.558 -6.807 1.561 950 HB2 ARG 123 1HB ARG 123 -22.018 -6.555 -0.650 951 HB3 ARG 123 2HB ARG 123 -20.442 -5.997 0.004 952 HG2 ARG 123 1HG ARG 123 -19.791 -8.325 0.073 953 HG3 ARG 123 2HG ARG 123 -21.151 -8.749 -1.000 954 HD2 ARG 123 1HD ARG 123 -20.132 -7.038 -2.604 955 HD3 ARG 123 2HD ARG 123 -18.830 -6.978 -1.375 956 HE ARG 123 HE ARG 123 -19.530 -9.410 -2.874 957 HH11 ARG 123 1HH1 ARG 123 -16.974 -7.276 -1.548 958 HH12 ARG 123 2HH1 ARG 123 -15.782 -8.523 -1.704 959 HH21 ARG 123 1HH2 ARG 123 -17.675 -11.014 -3.081 960 HH22 ARG 123 2HH2 ARG 123 -16.154 -10.446 -2.512 961 H VAL 124 H VAL 124 -19.674 -7.614 2.543 962 HA VAL 124 HA VAL 124 -19.577 -10.361 1.724 963 HB VAL 124 HB VAL 124 -17.701 -8.701 3.229 964 HG11 VAL 124 1HG1 VAL 124 -16.027 -10.512 2.753 965 HG12 VAL 124 2HG1 VAL 124 -17.466 -11.453 2.188 966 HG13 VAL 124 3HG1 VAL 124 -17.372 -10.872 3.873 967 HG21 VAL 124 1HG2 VAL 124 -16.308 -8.832 1.223 968 HG22 VAL 124 2HG2 VAL 124 -17.856 -7.990 1.147 969 HG23 VAL 124 3HG2 VAL 124 -17.703 -9.602 0.410 970 H GLN 125 H GLN 125 -19.092 -8.504 4.215 971 HA GLN 125 HA GLN 125 -18.998 -8.462 6.371 972 HB2 GLN 125 1HB GLN 125 -20.511 -8.142 4.888 973 HB3 GLN 125 2HB GLN 125 -20.649 -7.259 5.855 974 HG2 GLN 125 1HG GLN 125 -22.834 -8.107 4.989 975 HG3 GLN 125 2HG GLN 125 -21.909 -9.609 4.707 976 HE21 GLN 125 1HE2 GLN 125 -23.405 -9.572 8.469 977 HE22 GLN 125 2HE2 GLN 125 -22.287 -8.366 7.925 978 H ALA 126 H ALA 126 -20.722 -11.348 5.538 979 HA ALA 126 HA ALA 126 -20.791 -12.225 8.082 980 HB1 ALA 126 1HB ALA 126 -22.349 -12.154 6.101 981 HB2 ALA 126 2HB ALA 126 -22.450 -13.315 7.454 982 HB3 ALA 126 3HB ALA 126 -21.776 -13.842 5.870 983 H GLN 127 H GLN 127 -20.055 -14.018 4.900 984 HA GLN 127 HA GLN 127 -18.013 -15.380 6.054 985 HB2 GLN 127 1HB GLN 127 -20.248 -15.555 4.406 986 HB3 GLN 127 2HB GLN 127 -18.856 -15.998 3.493 987 HG2 GLN 127 1HG GLN 127 -19.779 -16.922 6.139 988 HG3 GLN 127 2HG GLN 127 -20.032 -17.894 4.679 989 HE21 GLN 127 1HE2 GLN 127 -16.236 -18.261 4.658 990 HE22 GLN 127 2HE2 GLN 127 -17.313 -17.300 3.687 991 H ARG 128 H ARG 128 -16.071 -14.492 5.658 992 HA ARG 128 HA ARG 128 -15.375 -12.625 4.019 993 HB2 ARG 128 1HB ARG 128 -13.840 -14.722 5.330 994 HB3 ARG 128 2HB ARG 128 -13.193 -13.756 3.979 995 HG2 ARG 128 1HG ARG 128 -14.565 -12.350 6.181 996 HG3 ARG 128 2HG ARG 128 -12.862 -12.835 6.508 997 HD2 ARG 128 1HD ARG 128 -14.063 -11.212 4.339 998 HD3 ARG 128 2HD ARG 128 -13.312 -10.522 5.753 999 HE ARG 128 HE ARG 128 -11.178 -11.614 4.979 1000 HH11 ARG 128 1HH1 ARG 128 -13.544 -11.064 2.404 1001 HH12 ARG 128 2HH1 ARG 128 -12.473 -10.396 1.292 1002 HH21 ARG 128 1HH2 ARG 128 -9.574 -10.619 3.434 1003 HH22 ARG 128 2HH2 ARG 128 -10.150 -10.150 1.921 1004 H ALA 129 H ALA 129 -16.103 -15.554 3.080 1005 HA ALA 129 HA ALA 129 -14.696 -16.559 1.107 1006 HB1 ALA 129 1HB ALA 129 -16.749 -17.446 1.875 1007 HB2 ALA 129 2HB ALA 129 -16.386 -17.513 0.153 1008 HB3 ALA 129 3HB ALA 129 -17.630 -16.360 0.743 1009 H GLU 130 H GLU 130 -13.654 -15.664 -0.337 1010 HA GLU 130 HA GLU 130 -14.239 -14.848 -2.713 1011 HB2 GLU 130 1HB GLU 130 -13.718 -12.305 -2.700 1012 HB3 GLU 130 2HB GLU 130 -15.332 -12.747 -2.180 1013 HG2 GLU 130 1HG GLU 130 -14.941 -12.122 -0.008 1014 HG3 GLU 130 2HG GLU 130 -13.210 -12.390 -0.119 1015 H GLN 131 H GLN 131 -12.316 -13.799 0.021 1016 HA GLN 131 HA GLN 131 -9.890 -14.488 -1.471 1017 HB2 GLN 131 1HB GLN 131 -9.981 -13.174 1.259 1018 HB3 GLN 131 2HB GLN 131 -8.649 -13.195 0.123 1019 HG2 GLN 131 1HG GLN 131 -11.193 -11.598 -0.086 1020 HG3 GLN 131 2HG GLN 131 -9.585 -10.991 0.268 1021 HE21 GLN 131 1HE2 GLN 131 -10.652 -10.493 -3.293 1022 HE22 GLN 131 2HE2 GLN 131 -11.474 -10.279 -1.776 1023 H GLN 132 H GLN 132 -10.371 -16.705 -1.253 1024 HA GLN 132 HA GLN 132 -10.051 -17.765 1.402 1025 HB2 GLN 132 1HB GLN 132 -12.422 -18.114 -0.333 1026 HB3 GLN 132 2HB GLN 132 -11.810 -19.460 0.674 1027 HG2 GLN 132 1HG GLN 132 -12.558 -16.733 1.658 1028 HG3 GLN 132 2HG GLN 132 -13.656 -18.127 1.663 1029 HE21 GLN 132 1HE2 GLN 132 -11.175 -19.660 4.092 1030 HE22 GLN 132 2HE2 GLN 132 -11.474 -20.061 2.469 1031 H ALA 133 H ALA 133 -9.940 -20.203 1.290 1032 HA ALA 133 HA ALA 133 -9.056 -21.443 -1.023 1033 HB1 ALA 133 1HB ALA 133 -7.282 -20.911 1.391 1034 HB2 ALA 133 2HB ALA 133 -6.942 -20.481 -0.292 1035 HB3 ALA 133 3HB ALA 133 -6.991 -22.176 0.190 Start of MODEL 8 1 H1 MET 1 1H MET 1 14.717 4.213 27.251 2 H2 MET 1 2H MET 1 13.231 3.389 27.492 3 H3 MET 1 3H MET 1 13.353 4.507 26.272 4 HA MET 1 HA MET 1 14.831 3.137 25.043 5 HB2 MET 1 1HB MET 1 14.408 1.212 27.357 6 HB3 MET 1 2HB MET 1 15.143 0.769 25.827 7 HG2 MET 1 1HG MET 1 16.966 2.361 26.265 8 HG3 MET 1 2HG MET 1 16.234 2.744 27.820 9 HE1 MET 1 1HE MET 1 15.228 -0.126 28.855 10 HE2 MET 1 2HE MET 1 16.098 1.026 29.867 11 HE3 MET 1 3HE MET 1 16.644 -0.648 29.767 12 H GLY 2 H GLY 2 13.904 0.864 24.084 13 HA2 GLY 2 1HA GLY 2 11.123 1.423 23.610 14 HA3 GLY 2 2HA GLY 2 12.093 0.155 22.862 15 H SER 3 H SER 3 10.231 1.057 25.683 16 HA SER 3 HA SER 3 10.510 -1.243 27.203 17 HB2 SER 3 1HB SER 3 8.152 0.634 27.052 18 HB3 SER 3 2HB SER 3 8.611 -0.385 28.421 19 HG SER 3 HG SER 3 9.400 1.617 28.825 20 H SER 4 H SER 4 8.433 -0.572 24.440 21 HA SER 4 HA SER 4 6.556 -2.577 24.705 22 HB2 SER 4 1HB SER 4 7.767 -1.572 22.134 23 HB3 SER 4 2HB SER 4 6.113 -2.132 22.408 24 HG SER 4 HG SER 4 5.693 -0.106 22.811 25 H HIS 5 H HIS 5 9.748 -2.573 23.165 26 HA HIS 5 HA HIS 5 11.208 -4.123 22.403 27 HB2 HIS 5 1HB HIS 5 9.807 -5.943 24.384 28 HB3 HIS 5 2HB HIS 5 11.248 -6.400 23.498 29 HD1 HIS 5 HD1 HIS 5 13.509 -5.351 24.301 30 HD2 HIS 5 HD2 HIS 5 10.193 -4.228 26.550 31 HE1 HIS 5 HE1 HIS 5 14.428 -4.338 26.399 32 HE2 HIS 5 HE2 HIS 5 12.400 -3.855 27.818 33 H HIS 6 H HIS 6 8.314 -6.012 22.825 34 HA HIS 6 HA HIS 6 8.866 -7.646 20.562 35 HB2 HIS 6 1HB HIS 6 6.622 -8.724 21.049 36 HB3 HIS 6 2HB HIS 6 7.809 -8.807 22.336 37 HD1 HIS 6 HD1 HIS 6 4.775 -6.678 21.412 38 HD2 HIS 6 HD2 HIS 6 6.808 -8.040 24.768 39 HE1 HIS 6 HE1 HIS 6 3.366 -5.980 23.384 40 HE2 HIS 6 HE2 HIS 6 4.744 -6.614 25.392 41 H HIS 7 H HIS 7 8.921 -6.436 18.787 42 HA HIS 7 HA HIS 7 6.268 -5.608 17.823 43 HB2 HIS 7 1HB HIS 7 7.216 -3.830 16.482 44 HB3 HIS 7 2HB HIS 7 7.953 -3.677 18.058 45 HD1 HIS 7 HD1 HIS 7 10.593 -4.125 18.162 46 HD2 HIS 7 HD2 HIS 7 8.929 -4.301 14.342 47 HE1 HIS 7 HE1 HIS 7 12.531 -4.018 16.549 48 HE2 HIS 7 HE2 HIS 7 11.481 -4.098 14.236 49 H HIS 8 H HIS 8 7.527 -8.211 17.829 50 HA HIS 8 HA HIS 8 7.842 -8.497 14.991 51 HB2 HIS 8 1HB HIS 8 9.228 -10.051 17.102 52 HB3 HIS 8 2HB HIS 8 8.857 -10.869 15.581 53 HD1 HIS 8 HD1 HIS 8 11.577 -10.844 15.278 54 HD2 HIS 8 HD2 HIS 8 9.621 -7.189 15.040 55 HE1 HIS 8 HE1 HIS 8 13.194 -9.270 14.180 56 HE2 HIS 8 HE2 HIS 8 11.657 -7.313 13.602 57 H HIS 9 H HIS 9 5.971 -8.330 14.546 58 HA HIS 9 HA HIS 9 4.430 -10.787 14.309 59 HB2 HIS 9 1HB HIS 9 3.264 -9.356 15.950 60 HB3 HIS 9 2HB HIS 9 3.598 -7.926 14.996 61 HD1 HIS 9 HD1 HIS 9 1.615 -7.070 14.011 62 HD2 HIS 9 HD2 HIS 9 1.504 -11.204 14.151 63 HE1 HIS 9 HE1 HIS 9 -0.658 -7.702 13.131 64 HE2 HIS 9 HE2 HIS 9 -0.325 -10.124 12.688 65 H HIS 10 H HIS 10 6.578 -9.759 12.975 66 HA HIS 10 HA HIS 10 5.784 -8.268 10.593 67 HB2 HIS 10 1HB HIS 10 6.215 -6.824 12.664 68 HB3 HIS 10 2HB HIS 10 7.845 -7.440 12.640 69 HD1 HIS 10 HD1 HIS 10 9.451 -5.863 11.637 70 HD2 HIS 10 HD2 HIS 10 5.598 -5.379 10.105 71 HE1 HIS 10 HE1 HIS 10 9.536 -3.815 10.284 72 HE2 HIS 10 HE2 HIS 10 7.216 -3.521 9.312 73 H SER 11 H SER 11 8.295 -7.890 9.599 74 HA SER 11 HA SER 11 9.709 -10.417 9.306 75 HB2 SER 11 1HB SER 11 11.133 -8.949 7.990 76 HB3 SER 11 2HB SER 11 9.457 -8.719 7.531 77 HG SER 11 HG SER 11 10.988 -6.797 8.120 78 H GLN 12 H GLN 12 12.225 -9.644 9.372 79 HA GLN 12 HA GLN 12 12.560 -9.915 12.235 80 HB2 GLN 12 1HB GLN 12 14.266 -10.941 9.986 81 HB3 GLN 12 2HB GLN 12 14.326 -11.396 11.694 82 HG2 GLN 12 1HG GLN 12 12.213 -12.431 11.597 83 HG3 GLN 12 2HG GLN 12 11.879 -11.861 9.968 84 HE21 GLN 12 1HE2 GLN 12 14.780 -14.283 9.117 85 HE22 GLN 12 2HE2 GLN 12 14.834 -12.574 9.236 86 H ASP 13 H ASP 13 12.310 -7.635 10.665 87 HA ASP 13 HA ASP 13 13.845 -6.312 9.443 88 HB2 ASP 13 1HB ASP 13 12.877 -4.550 10.135 89 HB3 ASP 13 2HB ASP 13 11.776 -5.922 10.022 90 HA PRO 14 HA PRO 14 16.231 -3.892 12.895 91 HB2 PRO 14 2HB PRO 14 16.920 -6.193 14.672 92 HB3 PRO 14 1HB PRO 14 16.585 -4.494 15.098 93 HG2 PRO 14 2HG PRO 14 14.729 -6.279 15.559 94 HG3 PRO 14 1HG PRO 14 14.289 -4.716 14.829 95 HD2 PRO 14 2HD PRO 14 14.657 -7.359 13.444 96 HD3 PRO 14 1HD PRO 14 13.363 -6.190 13.149 97 H MET 15 H MET 15 17.528 -3.734 11.199 98 HA MET 15 HA MET 15 19.104 -3.959 9.724 99 HB2 MET 15 1HB MET 15 20.108 -4.751 12.280 100 HB3 MET 15 2HB MET 15 21.294 -4.939 10.913 101 HG2 MET 15 1HG MET 15 19.715 -2.707 12.028 102 HG3 MET 15 2HG MET 15 21.402 -3.071 12.334 103 HE1 MET 15 1HE MET 15 22.126 -0.524 11.625 104 HE2 MET 15 2HE MET 15 20.423 -0.129 11.387 105 HE3 MET 15 3HE MET 15 21.604 0.265 10.137 106 H GLU 16 H GLU 16 17.118 -6.027 9.688 107 HA GLU 16 HA GLU 16 18.840 -8.145 8.568 108 HB2 GLU 16 1HB GLU 16 17.715 -8.500 10.958 109 HB3 GLU 16 2HB GLU 16 16.300 -8.874 10.007 110 HG2 GLU 16 1HG GLU 16 18.934 -10.354 9.771 111 HG3 GLU 16 2HG GLU 16 17.618 -10.854 10.819 112 H ASN 17 H ASN 17 16.083 -9.572 8.090 113 HA ASN 17 HA ASN 17 14.837 -10.035 6.394 114 HB2 ASN 17 1HB ASN 17 13.808 -7.692 6.964 115 HB3 ASN 17 2HB ASN 17 14.964 -7.194 5.835 116 HD21 ASN 17 1HD2 ASN 17 12.223 -7.335 3.624 117 HD22 ASN 17 2HD2 ASN 17 13.176 -6.339 4.718 118 H GLN 18 H GLN 18 17.475 -10.209 6.232 119 HA GLN 18 HA GLN 18 18.633 -9.435 3.839 120 HB2 GLN 18 1HB GLN 18 19.016 -11.214 6.042 121 HB3 GLN 18 2HB GLN 18 19.675 -11.884 4.598 122 HG2 GLN 18 1HG GLN 18 20.270 -9.225 5.922 123 HG3 GLN 18 2HG GLN 18 21.355 -10.614 5.908 124 HE21 GLN 18 1HE2 GLN 18 21.645 -9.930 2.181 125 HE22 GLN 18 2HE2 GLN 18 20.790 -11.161 3.050 126 HA PRO 19 HA PRO 19 16.483 -14.030 2.485 127 HB2 PRO 19 2HB PRO 19 14.336 -12.765 4.161 128 HB3 PRO 19 1HB PRO 19 14.423 -14.482 3.621 129 HG2 PRO 19 2HG PRO 19 15.138 -13.824 6.026 130 HG3 PRO 19 1HG PRO 19 16.182 -14.909 5.078 131 HD2 PRO 19 2HD PRO 19 16.688 -12.091 5.842 132 HD3 PRO 19 1HD PRO 19 17.822 -13.373 5.369 133 H LYS 20 H LYS 20 16.169 -13.567 0.444 134 HA LYS 20 HA LYS 20 15.653 -11.379 -0.829 135 HB2 LYS 20 1HB LYS 20 14.780 -14.139 -1.352 136 HB3 LYS 20 2HB LYS 20 15.219 -12.888 -2.512 137 HG2 LYS 20 1HG LYS 20 17.404 -12.887 -1.935 138 HG3 LYS 20 2HG LYS 20 17.292 -13.725 -0.490 139 HD2 LYS 20 1HD LYS 20 17.108 -14.987 -3.222 140 HD3 LYS 20 2HD LYS 20 18.157 -15.213 -1.796 141 HE2 LYS 20 1HE LYS 20 16.948 -17.022 -1.659 142 HE3 LYS 20 2HE LYS 20 16.145 -15.919 -0.535 143 HZ1 LYS 20 1HZ LYS 20 14.363 -15.535 -2.240 144 HZ2 LYS 20 2HZ LYS 20 14.496 -17.166 -1.914 145 HZ3 LYS 20 3HZ LYS 20 15.187 -16.540 -3.309 146 H LEU 21 H LEU 21 13.850 -10.062 -1.061 147 HA LEU 21 HA LEU 21 11.373 -10.401 -0.133 148 HB2 LEU 21 1HB LEU 21 12.916 -9.013 -2.118 149 HB3 LEU 21 2HB LEU 21 11.342 -8.427 -1.850 150 HG LEU 21 HG LEU 21 13.717 -8.299 -0.439 151 HD11 LEU 21 1HD1 LEU 21 11.342 -6.807 -0.012 152 HD12 LEU 21 2HD1 LEU 21 12.235 -6.852 -1.659 153 HD13 LEU 21 3HD1 LEU 21 13.039 -6.235 -0.157 154 HD21 LEU 21 1HD2 LEU 21 12.501 -7.692 1.547 155 HD22 LEU 21 2HD2 LEU 21 12.720 -9.453 1.094 156 HD23 LEU 21 3HD2 LEU 21 11.167 -8.535 0.645 157 H ASN 22 H ASN 22 12.669 -11.786 -2.843 158 HA ASN 22 HA ASN 22 11.964 -13.377 -4.258 159 HB2 ASN 22 1HB ASN 22 9.821 -13.651 -2.186 160 HB3 ASN 22 2HB ASN 22 10.151 -14.824 -3.460 161 HD21 ASN 22 1HD2 ASN 22 11.859 -15.423 -0.362 162 HD22 ASN 22 2HD2 ASN 22 10.252 -14.901 -0.677 163 H SER 23 H SER 23 10.750 -10.696 -4.047 164 HA SER 23 HA SER 23 10.142 -9.368 -5.786 165 HB2 SER 23 1HB SER 23 9.687 -10.164 -8.083 166 HB3 SER 23 2HB SER 23 11.073 -10.958 -7.388 167 HG SER 23 HG SER 23 9.310 -12.624 -6.787 168 H SER 24 H SER 24 8.115 -10.658 -3.791 169 HA SER 24 HA SER 24 6.201 -8.765 -4.644 170 HB2 SER 24 1HB SER 24 4.255 -10.312 -4.857 171 HB3 SER 24 2HB SER 24 5.439 -10.437 -6.151 172 HG SER 24 HG SER 24 6.131 -12.338 -5.417 173 H LYS 25 H LYS 25 5.475 -11.676 -2.658 174 HA LYS 25 HA LYS 25 3.897 -10.485 -0.867 175 HB2 LYS 25 1HB LYS 25 3.890 -12.665 -1.414 176 HB3 LYS 25 2HB LYS 25 5.590 -12.843 -1.182 177 HG2 LYS 25 1HG LYS 25 5.488 -13.204 0.875 178 HG3 LYS 25 2HG LYS 25 4.361 -11.862 1.115 179 HD2 LYS 25 1HD LYS 25 3.300 -13.923 1.781 180 HD3 LYS 25 2HD LYS 25 2.678 -13.208 0.251 181 HE2 LYS 25 1HE LYS 25 2.998 -15.698 -0.037 182 HE3 LYS 25 2HE LYS 25 3.908 -14.553 -1.058 183 HZ1 LYS 25 1HZ LYS 25 5.122 -15.933 1.316 184 HZ2 LYS 25 2HZ LYS 25 5.938 -14.979 0.232 185 HZ3 LYS 25 3HZ LYS 25 5.348 -16.442 -0.267 186 H GLU 26 H GLU 26 6.997 -11.782 -0.465 187 HA GLU 26 HA GLU 26 7.020 -10.624 1.977 188 HB2 GLU 26 1HB GLU 26 9.550 -11.580 2.156 189 HB3 GLU 26 2HB GLU 26 8.109 -12.532 2.416 190 HG2 GLU 26 1HG GLU 26 9.599 -12.381 -0.201 191 HG3 GLU 26 2HG GLU 26 9.852 -13.626 1.018 192 H VAL 27 H VAL 27 7.704 -9.146 -0.763 193 HA VAL 27 HA VAL 27 9.653 -7.301 0.392 194 HB VAL 27 HB VAL 27 10.200 -6.702 -1.604 195 HG11 VAL 27 1HG1 VAL 27 9.709 -8.973 -1.820 196 HG12 VAL 27 2HG1 VAL 27 9.840 -8.004 -3.336 197 HG13 VAL 27 3HG1 VAL 27 8.196 -8.516 -2.657 198 HG21 VAL 27 1HG2 VAL 27 8.772 -5.729 -3.181 199 HG22 VAL 27 2HG2 VAL 27 8.363 -5.301 -1.458 200 HG23 VAL 27 3HG2 VAL 27 7.392 -6.511 -2.342 201 H ILE 28 H ILE 28 6.053 -7.632 0.105 202 HA ILE 28 HA ILE 28 5.572 -5.029 0.688 203 HB ILE 28 HB ILE 28 4.413 -7.612 1.505 204 HG12 ILE 28 1HG1 ILE 28 3.382 -7.450 -0.689 205 HG13 ILE 28 2HG1 ILE 28 2.641 -6.428 0.389 206 HG21 ILE 28 1HG2 ILE 28 2.352 -6.427 2.372 207 HG22 ILE 28 2HG2 ILE 28 3.090 -4.885 2.073 208 HG23 ILE 28 3HG2 ILE 28 3.789 -5.973 3.286 209 HD11 ILE 28 1HD1 ILE 28 4.870 -5.237 -0.928 210 HD12 ILE 28 2HD1 ILE 28 3.536 -4.411 -0.180 211 HD13 ILE 28 3HD1 ILE 28 3.317 -5.293 -1.764 212 H ALA 29 H ALA 29 6.239 -7.825 2.419 213 HA ALA 29 HA ALA 29 6.342 -6.902 4.817 214 HB1 ALA 29 1HB ALA 29 6.389 -9.093 4.401 215 HB2 ALA 29 2HB ALA 29 7.962 -8.756 5.246 216 HB3 ALA 29 3HB ALA 29 7.840 -8.892 3.439 217 H PHE 30 H PHE 30 9.093 -6.743 2.478 218 HA PHE 30 HA PHE 30 10.894 -5.562 4.241 219 HB2 PHE 30 2HB PHE 30 11.916 -6.159 2.365 220 HB3 PHE 30 1HB PHE 30 10.413 -5.945 1.429 221 HD1 PHE 30 1HD PHE 30 12.880 -3.909 3.210 222 HD2 PHE 30 2HD PHE 30 10.400 -4.437 -0.154 223 HE1 PHE 30 1HE PHE 30 13.791 -1.849 2.236 224 HE2 PHE 30 2HE PHE 30 11.275 -2.410 -1.105 225 HZ PHE 30 HZ PHE 30 12.989 -1.118 0.075 226 H LEU 31 H LEU 31 8.602 -4.418 1.879 227 HA LEU 31 HA LEU 31 8.953 -1.762 2.017 228 HB2 LEU 31 1HB LEU 31 6.799 -3.606 1.529 229 HB3 LEU 31 2HB LEU 31 6.287 -1.931 1.419 230 HG LEU 31 HG LEU 31 8.201 -3.530 -0.128 231 HD11 LEU 31 1HD1 LEU 31 6.327 -1.531 -1.297 232 HD12 LEU 31 2HD1 LEU 31 5.708 -3.042 -0.545 233 HD13 LEU 31 3HD1 LEU 31 6.991 -3.109 -1.805 234 HD21 LEU 31 1HD2 LEU 31 8.758 -1.291 -1.247 235 HD22 LEU 31 2HD2 LEU 31 9.555 -1.895 0.177 236 HD23 LEU 31 3HD2 LEU 31 8.287 -0.623 0.348 237 H ALA 32 H ALA 32 7.221 -3.850 3.978 238 HA ALA 32 HA ALA 32 5.932 -1.845 5.623 239 HB1 ALA 32 1HB ALA 32 6.336 -4.673 6.018 240 HB2 ALA 32 2HB ALA 32 5.162 -3.967 4.881 241 HB3 ALA 32 3HB ALA 32 4.975 -3.646 6.614 242 H GLU 33 H GLU 33 8.926 -3.461 5.754 243 HA GLU 33 HA GLU 33 8.951 -3.138 8.517 244 HB2 GLU 33 1HB GLU 33 10.925 -4.444 8.540 245 HB3 GLU 33 2HB GLU 33 9.809 -4.814 7.191 246 HG2 GLU 33 1HG GLU 33 10.981 -4.007 5.659 247 HG3 GLU 33 2HG GLU 33 12.005 -3.019 6.660 248 H ARG 34 H ARG 34 9.985 -1.943 5.809 249 HA ARG 34 HA ARG 34 11.816 0.123 6.454 250 HB2 ARG 34 1HB ARG 34 11.140 -1.539 4.492 251 HB3 ARG 34 2HB ARG 34 10.564 -0.161 3.720 252 HG2 ARG 34 1HG ARG 34 12.715 -0.297 3.047 253 HG3 ARG 34 2HG ARG 34 12.765 0.729 4.540 254 HD2 ARG 34 1HD ARG 34 13.612 -0.829 5.882 255 HD3 ARG 34 2HD ARG 34 13.005 -2.112 4.843 256 HE ARG 34 HE ARG 34 15.018 -0.565 3.592 257 HH11 ARG 34 1HH1 ARG 34 14.533 -3.556 5.576 258 HH12 ARG 34 2HH1 ARG 34 16.133 -3.995 5.528 259 HH21 ARG 34 1HH2 ARG 34 17.183 -1.195 3.571 260 HH22 ARG 34 2HH2 ARG 34 17.762 -2.638 4.316 261 H PHE 35 H PHE 35 8.402 -0.063 5.288 262 HA PHE 35 HA PHE 35 8.025 2.684 6.080 263 HB2 PHE 35 2HB PHE 35 7.234 0.772 4.222 264 HB3 PHE 35 1HB PHE 35 6.020 1.945 4.255 265 HD1 PHE 35 1HD PHE 35 8.185 0.605 2.415 266 HD2 PHE 35 2HD PHE 35 8.040 4.341 4.381 267 HE1 PHE 35 1HE PHE 35 9.776 1.407 0.915 268 HE2 PHE 35 2HE PHE 35 9.665 5.226 2.822 269 HZ PHE 35 HZ PHE 35 10.602 3.680 1.002 270 HA PRO 36 HA PRO 36 5.622 0.156 9.392 271 HB2 PRO 36 2HB PRO 36 6.032 2.853 10.485 272 HB3 PRO 36 1HB PRO 36 6.358 1.263 11.254 273 HG2 PRO 36 2HG PRO 36 8.136 3.093 10.045 274 HG3 PRO 36 1HG PRO 36 8.494 1.526 10.786 275 HD2 PRO 36 2HD PRO 36 8.800 2.066 8.153 276 HD3 PRO 36 1HD PRO 36 8.550 0.463 8.829 277 H HIS 37 H HIS 37 5.192 3.084 7.484 278 HA HIS 37 HA HIS 37 2.530 3.532 8.670 279 HB2 HIS 37 1HB HIS 37 4.167 5.686 7.697 280 HB3 HIS 37 2HB HIS 37 3.371 5.104 6.312 281 HD1 HIS 37 HD1 HIS 37 2.894 7.583 8.730 282 HD2 HIS 37 HD2 HIS 37 0.554 4.896 6.663 283 HE1 HIS 37 HE1 HIS 37 0.599 8.598 8.796 284 HE2 HIS 37 HE2 HIS 37 -0.647 7.206 7.122 285 H CYS 38 H CYS 38 3.921 3.407 5.525 286 HA CYS 38 HA CYS 38 1.766 3.061 3.946 287 HB2 CYS 38 2HB CYS 38 4.309 3.409 3.318 288 HB3 CYS 38 1HB CYS 38 4.267 1.675 3.521 289 HG CYS 38 HG CYS 38 2.052 1.338 1.804 290 H PHE 39 H PHE 39 3.889 0.565 5.269 291 HA PHE 39 HA PHE 39 2.090 -1.312 4.062 292 HB2 PHE 39 2HB PHE 39 4.777 -0.677 4.412 293 HB3 PHE 39 1HB PHE 39 4.809 -2.266 4.138 294 HD1 PHE 39 1HD PHE 39 5.968 0.133 2.992 295 HD2 PHE 39 2HD PHE 39 2.582 -2.109 1.819 296 HE1 PHE 39 1HE PHE 39 6.291 0.892 1.024 297 HE2 PHE 39 2HE PHE 39 2.875 -1.320 -0.445 298 HZ PHE 39 HZ PHE 39 4.719 0.241 -0.964 299 H SER 40 H SER 40 1.994 -3.288 5.166 300 HA SER 40 HA SER 40 2.056 -3.122 8.144 301 HB2 SER 40 1HB SER 40 0.781 -4.922 6.232 302 HB3 SER 40 2HB SER 40 0.773 -5.091 7.982 303 HG SER 40 HG SER 40 -1.074 -3.716 6.693 304 H ALA 41 H ALA 41 1.964 -6.163 6.787 305 HA ALA 41 HA ALA 41 3.554 -7.741 6.147 306 HB1 ALA 41 1HB ALA 41 5.172 -6.062 7.898 307 HB2 ALA 41 2HB ALA 41 5.141 -6.137 6.148 308 HB3 ALA 41 3HB ALA 41 5.876 -7.524 7.074 309 H GLU 42 H GLU 42 3.086 -6.072 8.911 310 HA GLU 42 HA GLU 42 2.723 -7.687 11.076 311 HB2 GLU 42 1HB GLU 42 1.619 -5.569 9.727 312 HB3 GLU 42 2HB GLU 42 0.808 -5.933 11.086 313 HG2 GLU 42 1HG GLU 42 3.629 -5.046 10.679 314 HG3 GLU 42 2HG GLU 42 2.412 -4.066 11.513 315 H GLY 43 H GLY 43 1.078 -6.658 8.563 316 HA2 GLY 43 1HA GLY 43 -1.079 -8.322 9.198 317 HA3 GLY 43 2HA GLY 43 -1.473 -6.643 8.925 318 H GLU 44 H GLU 44 -2.818 -8.346 7.452 319 HA GLU 44 HA GLU 44 -2.339 -9.349 5.098 320 HB2 GLU 44 1HB GLU 44 -4.469 -8.765 6.493 321 HB3 GLU 44 2HB GLU 44 -4.461 -7.336 5.477 322 HG2 GLU 44 1HG GLU 44 -4.633 -8.648 3.544 323 HG3 GLU 44 2HG GLU 44 -4.706 -10.146 4.501 324 H ALA 45 H ALA 45 -3.088 -5.891 5.571 325 HA ALA 45 HA ALA 45 -1.210 -4.946 3.693 326 HB1 ALA 45 1HB ALA 45 -2.847 -4.065 2.047 327 HB2 ALA 45 2HB ALA 45 -4.109 -5.015 2.898 328 HB3 ALA 45 3HB ALA 45 -2.718 -5.835 2.093 329 H ARG 46 H ARG 46 -2.536 -2.602 2.993 330 HA ARG 46 HA ARG 46 -3.586 -1.263 5.283 331 HB2 ARG 46 1HB ARG 46 -1.026 -1.321 5.531 332 HB3 ARG 46 2HB ARG 46 -0.941 -0.499 3.985 333 HG2 ARG 46 1HG ARG 46 -0.772 1.305 5.325 334 HG3 ARG 46 2HG ARG 46 -2.531 1.220 5.287 335 HD2 ARG 46 1HD ARG 46 -1.877 1.470 7.568 336 HD3 ARG 46 2HD ARG 46 -2.384 -0.210 7.362 337 HE ARG 46 HE ARG 46 0.366 0.086 6.869 338 HH11 ARG 46 1HH1 ARG 46 -1.896 -0.099 9.559 339 HH12 ARG 46 2HH1 ARG 46 -0.741 -0.620 10.708 340 HH21 ARG 46 1HH2 ARG 46 1.977 -0.629 8.415 341 HH22 ARG 46 2HH2 ARG 46 1.551 -0.909 10.026 342 HA PRO 47 HA PRO 47 -5.102 0.678 1.452 343 HB2 PRO 47 2HB PRO 47 -5.046 3.243 2.997 344 HB3 PRO 47 1HB PRO 47 -6.436 2.580 2.089 345 HG2 PRO 47 2HG PRO 47 -6.407 2.494 4.716 346 HG3 PRO 47 1HG PRO 47 -7.010 1.121 3.770 347 HD2 PRO 47 2HD PRO 47 -4.464 1.389 5.269 348 HD3 PRO 47 1HD PRO 47 -5.486 -0.038 5.022 349 H LEU 48 H LEU 48 -3.923 1.506 -0.261 350 HA LEU 48 HA LEU 48 -1.446 2.884 0.350 351 HB2 LEU 48 1HB LEU 48 -0.775 0.763 0.489 352 HB3 LEU 48 2HB LEU 48 -1.829 0.114 -0.700 353 HG LEU 48 HG LEU 48 -0.551 1.730 -2.107 354 HD11 LEU 48 1HD1 LEU 48 1.122 2.503 -0.640 355 HD12 LEU 48 2HD1 LEU 48 1.931 1.086 -1.421 356 HD13 LEU 48 3HD1 LEU 48 1.106 0.913 0.123 357 HD21 LEU 48 1HD2 LEU 48 1.051 -0.242 -2.530 358 HD22 LEU 48 2HD2 LEU 48 -0.622 -0.039 -3.018 359 HD23 LEU 48 3HD2 LEU 48 -0.248 -1.021 -1.551 360 H LYS 49 H LYS 49 -0.471 3.868 -1.651 361 HA LYS 49 HA LYS 49 -2.580 4.855 -3.362 362 HB2 LYS 49 1HB LYS 49 -0.617 6.043 -4.183 363 HB3 LYS 49 2HB LYS 49 -1.311 6.787 -2.707 364 HG2 LYS 49 1HG LYS 49 0.659 5.417 -1.661 365 HG3 LYS 49 2HG LYS 49 1.106 5.158 -3.346 366 HD2 LYS 49 1HD LYS 49 1.038 7.899 -1.976 367 HD3 LYS 49 2HD LYS 49 2.468 6.924 -2.173 368 HE2 LYS 49 1HE LYS 49 2.110 7.058 -4.689 369 HE3 LYS 49 2HE LYS 49 0.873 8.266 -4.384 370 HZ1 LYS 49 1HZ LYS 49 2.913 9.501 -4.808 371 HZ2 LYS 49 2HZ LYS 49 3.844 8.543 -3.863 372 HZ3 LYS 49 3HZ LYS 49 2.789 9.556 -3.146 373 H ILE 50 H ILE 50 -0.365 2.442 -3.749 374 HA ILE 50 HA ILE 50 0.713 1.506 -5.279 375 HB ILE 50 HB ILE 50 -1.793 2.148 -6.600 376 HG12 ILE 50 1HG1 ILE 50 -0.395 -0.108 -5.239 377 HG13 ILE 50 2HG1 ILE 50 -1.905 0.746 -4.883 378 HG21 ILE 50 1HG2 ILE 50 -1.044 0.692 -8.483 379 HG22 ILE 50 2HG2 ILE 50 0.522 0.612 -7.560 380 HG23 ILE 50 3HG2 ILE 50 -0.036 2.171 -8.185 381 HD11 ILE 50 1HD1 ILE 50 -2.977 -0.452 -6.734 382 HD12 ILE 50 2HD1 ILE 50 -2.111 -1.616 -5.675 383 HD13 ILE 50 3HD1 ILE 50 -1.393 -1.127 -7.170 384 H GLY 51 H GLY 51 -0.003 4.448 -6.659 385 HA2 GLY 51 1HA GLY 51 2.351 4.454 -8.371 386 HA3 GLY 51 2HA GLY 51 1.444 5.884 -7.850 387 H ILE 52 H ILE 52 1.897 4.867 -4.938 388 HA ILE 52 HA ILE 52 4.135 5.854 -3.889 389 HB ILE 52 HB ILE 52 2.627 4.766 -2.438 390 HG12 ILE 52 1HG1 ILE 52 5.027 3.328 -3.029 391 HG13 ILE 52 2HG1 ILE 52 4.838 4.605 -1.932 392 HG21 ILE 52 1HG2 ILE 52 1.627 3.198 -4.121 393 HG22 ILE 52 2HG2 ILE 52 2.208 2.415 -2.615 394 HG23 ILE 52 3HG2 ILE 52 3.185 2.334 -4.078 395 HD11 ILE 52 1HD1 ILE 52 3.645 3.191 -0.462 396 HD12 ILE 52 2HD1 ILE 52 4.920 2.115 -1.302 397 HD13 ILE 52 3HD1 ILE 52 3.333 2.082 -1.813 398 H PHE 53 H PHE 53 3.827 2.851 -5.766 399 HA PHE 53 HA PHE 53 5.897 1.490 -4.930 400 HB2 PHE 53 2HB PHE 53 4.577 0.653 -6.374 401 HB3 PHE 53 1HB PHE 53 4.585 1.990 -7.514 402 HD1 PHE 53 1HD PHE 53 6.479 -0.337 -5.936 403 HD2 PHE 53 2HD PHE 53 6.252 1.927 -9.349 404 HE1 PHE 53 1HE PHE 53 8.131 -1.634 -6.793 405 HE2 PHE 53 2HE PHE 53 8.278 0.694 -10.301 406 HZ PHE 53 HZ PHE 53 9.190 -1.184 -8.903 407 H GLN 54 H GLN 54 5.800 3.863 -7.344 408 HA GLN 54 HA GLN 54 8.417 4.285 -8.212 409 HB2 GLN 54 1HB GLN 54 6.210 4.968 -9.058 410 HB3 GLN 54 2HB GLN 54 6.081 5.486 -7.540 411 HG2 GLN 54 1HG GLN 54 8.029 6.866 -7.999 412 HG3 GLN 54 2HG GLN 54 7.043 7.418 -9.499 413 HE21 GLN 54 1HE2 GLN 54 6.987 7.364 -5.658 414 HE22 GLN 54 2HE2 GLN 54 5.990 6.213 -6.123 415 H ASP 55 H ASP 55 7.175 4.877 -5.428 416 HA ASP 55 HA ASP 55 8.833 7.075 -4.718 417 HB2 ASP 55 1HB ASP 55 6.261 6.202 -3.939 418 HB3 ASP 55 2HB ASP 55 7.094 6.477 -2.531 419 H LEU 56 H LEU 56 7.704 4.166 -3.714 420 HA LEU 56 HA LEU 56 9.250 3.302 -1.648 421 HB2 LEU 56 1HB LEU 56 7.918 2.413 -4.111 422 HB3 LEU 56 2HB LEU 56 7.888 2.879 -2.484 423 HG LEU 56 HG LEU 56 8.640 0.317 -2.573 424 HD11 LEU 56 1HD1 LEU 56 8.352 2.108 -0.649 425 HD12 LEU 56 2HD1 LEU 56 7.282 0.657 -0.666 426 HD13 LEU 56 3HD1 LEU 56 6.748 2.164 -1.448 427 HD21 LEU 56 1HD2 LEU 56 6.404 1.838 -3.060 428 HD22 LEU 56 2HD2 LEU 56 6.289 0.309 -2.220 429 HD23 LEU 56 3HD2 LEU 56 6.879 0.330 -3.954 430 H VAL 57 H VAL 57 9.480 3.143 -4.902 431 HA VAL 57 HA VAL 57 11.836 1.814 -4.901 432 HB VAL 57 HB VAL 57 12.083 2.176 -7.261 433 HG11 VAL 57 1HG1 VAL 57 10.565 0.574 -7.076 434 HG12 VAL 57 2HG1 VAL 57 9.316 2.008 -7.124 435 HG13 VAL 57 3HG1 VAL 57 9.946 1.461 -5.639 436 HG21 VAL 57 1HG2 VAL 57 9.911 4.217 -6.839 437 HG22 VAL 57 2HG2 VAL 57 10.402 3.474 -8.372 438 HG23 VAL 57 3HG2 VAL 57 11.590 4.411 -7.346 439 H ASP 58 H ASP 58 11.260 5.256 -4.929 440 HA ASP 58 HA ASP 58 13.501 6.504 -5.491 441 HB2 ASP 58 1HB ASP 58 11.332 7.020 -3.954 442 HB3 ASP 58 2HB ASP 58 12.502 6.668 -2.854 443 H ARG 59 H ARG 59 12.586 4.620 -2.797 444 HA ARG 59 HA ARG 59 14.736 5.065 -1.039 445 HB2 ARG 59 1HB ARG 59 12.031 4.582 -1.099 446 HB3 ARG 59 2HB ARG 59 12.785 4.026 0.440 447 HG2 ARG 59 1HG ARG 59 12.764 6.271 1.118 448 HG3 ARG 59 2HG ARG 59 13.171 6.850 -0.511 449 HD2 ARG 59 1HD ARG 59 10.994 6.601 -1.276 450 HD3 ARG 59 2HD ARG 59 10.523 5.593 0.064 451 HE ARG 59 HE ARG 59 10.776 7.788 1.369 452 HH11 ARG 59 1HH1 ARG 59 9.972 7.857 -2.074 453 HH12 ARG 59 2HH1 ARG 59 8.702 8.963 -1.992 454 HH21 ARG 59 1HH2 ARG 59 8.870 9.442 1.568 455 HH22 ARG 59 2HH2 ARG 59 8.111 9.867 0.129 456 H VAL 60 H VAL 60 12.319 2.492 -1.948 457 HA VAL 60 HA VAL 60 13.161 0.675 -0.225 458 HB VAL 60 HB VAL 60 11.797 -0.764 -1.665 459 HG11 VAL 60 1HG1 VAL 60 11.256 1.957 -0.835 460 HG12 VAL 60 2HG1 VAL 60 10.768 0.292 -0.172 461 HG13 VAL 60 3HG1 VAL 60 10.157 0.965 -1.854 462 HG21 VAL 60 1HG2 VAL 60 12.161 1.424 -3.265 463 HG22 VAL 60 2HG2 VAL 60 10.511 0.877 -3.198 464 HG23 VAL 60 3HG2 VAL 60 11.822 -0.237 -3.765 465 H ALA 61 H ALA 61 13.880 0.980 -3.475 466 HA ALA 61 HA ALA 61 13.610 -1.543 -4.045 467 HB1 ALA 61 1HB ALA 61 13.556 0.237 -5.430 468 HB2 ALA 61 2HB ALA 61 14.252 -1.256 -6.078 469 HB3 ALA 61 3HB ALA 61 15.319 0.150 -5.688 470 H GLY 62 H GLY 62 16.587 -0.665 -4.534 471 HA2 GLY 62 1HA GLY 62 17.087 -3.471 -4.154 472 HA3 GLY 62 2HA GLY 62 18.117 -2.570 -5.196 473 H GLU 63 H GLU 63 16.972 -1.936 -2.201 474 HA GLU 63 HA GLU 63 19.238 -1.504 -0.713 475 HB2 GLU 63 1HB GLU 63 16.507 -2.296 -0.196 476 HB3 GLU 63 2HB GLU 63 17.530 -2.412 1.179 477 HG2 GLU 63 1HG GLU 63 18.047 0.163 0.314 478 HG3 GLU 63 2HG GLU 63 16.456 -0.146 -0.417 479 H MET 64 H MET 64 17.061 -4.273 -0.804 480 HA MET 64 HA MET 64 19.248 -6.032 -0.089 481 HB2 MET 64 1HB MET 64 16.491 -6.872 0.186 482 HB3 MET 64 2HB MET 64 17.894 -7.582 0.866 483 HG2 MET 64 1HG MET 64 16.636 -6.680 2.617 484 HG3 MET 64 2HG MET 64 18.087 -5.673 2.457 485 HE1 MET 64 1HE MET 64 14.033 -4.405 0.678 486 HE2 MET 64 2HE MET 64 14.150 -5.912 1.487 487 HE3 MET 64 3HE MET 64 15.086 -5.642 -0.015 488 H ASN 65 H ASN 65 16.285 -6.196 -1.458 489 HA ASN 65 HA ASN 65 17.354 -7.833 -3.511 490 HB2 ASN 65 1HB ASN 65 15.533 -8.209 -1.491 491 HB3 ASN 65 2HB ASN 65 15.066 -9.299 -2.583 492 HD21 ASN 65 1HD2 ASN 65 17.289 -10.093 0.066 493 HD22 ASN 65 2HD2 ASN 65 16.104 -8.958 0.068 494 H LEU 66 H LEU 66 16.248 -5.266 -4.254 495 HA LEU 66 HA LEU 66 13.808 -6.034 -5.871 496 HB2 LEU 66 1HB LEU 66 14.556 -4.280 -4.023 497 HB3 LEU 66 2HB LEU 66 13.680 -3.285 -5.059 498 HG LEU 66 HG LEU 66 13.342 -4.914 -2.737 499 HD11 LEU 66 1HD1 LEU 66 11.833 -2.812 -4.119 500 HD12 LEU 66 2HD1 LEU 66 12.904 -2.707 -2.743 501 HD13 LEU 66 3HD1 LEU 66 11.310 -3.526 -2.569 502 HD21 LEU 66 1HD2 LEU 66 11.292 -5.403 -4.887 503 HD22 LEU 66 2HD2 LEU 66 11.237 -5.979 -3.166 504 HD23 LEU 66 3HD2 LEU 66 12.667 -6.305 -4.242 505 H SER 67 H SER 67 13.912 -5.729 -7.665 506 HA SER 67 HA SER 67 15.699 -3.835 -8.992 507 HB2 SER 67 1HB SER 67 15.957 -6.155 -9.520 508 HB3 SER 67 2HB SER 67 14.212 -6.318 -9.703 509 HG SER 67 HG SER 67 14.441 -4.915 -11.578 510 H LYS 68 H LYS 68 13.350 -2.894 -7.644 511 HA LYS 68 HA LYS 68 11.311 -1.866 -7.677 512 HB2 LYS 68 1HB LYS 68 11.239 -1.223 -10.407 513 HB3 LYS 68 2HB LYS 68 11.015 -0.126 -9.090 514 HG2 LYS 68 1HG LYS 68 13.561 -0.894 -10.492 515 HG3 LYS 68 2HG LYS 68 12.841 0.718 -10.328 516 HD2 LYS 68 1HD LYS 68 13.345 0.776 -7.995 517 HD3 LYS 68 2HD LYS 68 13.298 -0.948 -8.191 518 HE2 LYS 68 1HE LYS 68 15.694 0.056 -7.822 519 HE3 LYS 68 2HE LYS 68 15.512 -0.963 -9.250 520 HZ1 LYS 68 1HZ LYS 68 15.401 2.010 -9.223 521 HZ2 LYS 68 2HZ LYS 68 15.233 1.037 -10.592 522 HZ3 LYS 68 3HZ LYS 68 16.704 1.080 -9.767 523 H THR 69 H THR 69 11.372 -3.834 -10.705 524 HA THR 69 HA THR 69 8.582 -3.561 -10.711 525 HB THR 69 HB THR 69 8.675 -4.863 -12.406 526 HG1 THR 69 1HG THR 69 10.847 -5.857 -13.104 527 HG21 THR 69 1HG2 THR 69 9.271 -2.625 -12.858 528 HG22 THR 69 2HG2 THR 69 10.381 -3.594 -13.880 529 HG23 THR 69 3HG2 THR 69 10.897 -2.991 -12.282 530 H GLN 70 H GLN 70 10.790 -5.531 -9.398 531 HA GLN 70 HA GLN 70 8.949 -7.733 -8.792 532 HB2 GLN 70 1HB GLN 70 10.853 -8.696 -7.580 533 HB3 GLN 70 2HB GLN 70 11.374 -8.181 -9.165 534 HG2 GLN 70 1HG GLN 70 12.447 -6.369 -8.358 535 HG3 GLN 70 2HG GLN 70 11.430 -6.569 -6.905 536 HE21 GLN 70 1HE2 GLN 70 13.198 -8.623 -5.271 537 HE22 GLN 70 2HE2 GLN 70 11.669 -7.874 -5.529 538 H LEU 71 H LEU 71 9.308 -4.761 -7.725 539 HA LEU 71 HA LEU 71 8.200 -5.185 -5.020 540 HB2 LEU 71 1HB LEU 71 10.334 -3.889 -5.620 541 HB3 LEU 71 2HB LEU 71 9.462 -2.792 -6.450 542 HG LEU 71 HG LEU 71 10.062 -2.953 -3.777 543 HD11 LEU 71 1HD1 LEU 71 9.640 -0.632 -3.745 544 HD12 LEU 71 2HD1 LEU 71 8.632 -0.831 -5.212 545 HD13 LEU 71 3HD1 LEU 71 10.384 -1.047 -5.287 546 HD21 LEU 71 1HD2 LEU 71 7.908 -1.996 -3.020 547 HD22 LEU 71 2HD2 LEU 71 8.155 -3.759 -3.169 548 HD23 LEU 71 3HD2 LEU 71 7.249 -2.895 -4.407 549 H ARG 72 H ARG 72 7.743 -3.689 -8.209 550 HA ARG 72 HA ARG 72 5.503 -2.370 -7.328 551 HB2 ARG 72 1HB ARG 72 4.976 -1.885 -9.793 552 HB3 ARG 72 2HB ARG 72 6.689 -1.750 -9.377 553 HG2 ARG 72 1HG ARG 72 6.803 -2.793 -11.324 554 HG3 ARG 72 2HG ARG 72 6.926 -3.970 -9.963 555 HD2 ARG 72 1HD ARG 72 5.494 -4.998 -11.672 556 HD3 ARG 72 2HD ARG 72 4.623 -4.405 -10.217 557 HE ARG 72 HE ARG 72 4.075 -2.407 -11.556 558 HH11 ARG 72 1HH1 ARG 72 4.461 -5.564 -13.127 559 HH12 ARG 72 2HH1 ARG 72 3.507 -5.206 -14.481 560 HH21 ARG 72 1HH2 ARG 72 2.728 -1.871 -13.443 561 HH22 ARG 72 2HH2 ARG 72 2.489 -3.021 -14.665 562 H SER 73 H SER 73 6.032 -5.589 -8.044 563 HA SER 73 HA SER 73 3.546 -6.504 -8.797 564 HB2 SER 73 1HB SER 73 5.007 -8.460 -8.534 565 HB3 SER 73 2HB SER 73 5.649 -6.990 -9.452 566 HG SER 73 HG SER 73 6.805 -8.207 -7.444 567 H ALA 74 H ALA 74 5.337 -5.896 -6.186 568 HA ALA 74 HA ALA 74 3.875 -7.476 -4.154 569 HB1 ALA 74 1HB ALA 74 6.197 -6.852 -3.810 570 HB2 ALA 74 2HB ALA 74 5.215 -6.111 -2.544 571 HB3 ALA 74 3HB ALA 74 5.799 -5.163 -3.917 572 H LEU 75 H LEU 75 3.717 -4.772 -5.778 573 HA LEU 75 HA LEU 75 1.992 -3.378 -3.982 574 HB2 LEU 75 1HB LEU 75 4.021 -3.388 -5.038 575 HB3 LEU 75 2HB LEU 75 3.864 -2.391 -6.193 576 HG LEU 75 HG LEU 75 3.695 -2.214 -3.184 577 HD11 LEU 75 1HD1 LEU 75 5.094 -0.427 -4.859 578 HD12 LEU 75 2HD1 LEU 75 5.665 -2.108 -4.968 579 HD13 LEU 75 3HD1 LEU 75 5.645 -1.227 -3.406 580 HD21 LEU 75 1HD2 LEU 75 3.679 0.281 -4.639 581 HD22 LEU 75 2HD2 LEU 75 3.110 -0.119 -2.998 582 HD23 LEU 75 3HD2 LEU 75 2.080 -0.494 -4.401 583 H ARG 76 H ARG 76 1.414 -5.476 -5.522 584 HA ARG 76 HA ARG 76 -0.947 -4.926 -7.226 585 HB2 ARG 76 1HB ARG 76 1.460 -6.427 -7.992 586 HB3 ARG 76 2HB ARG 76 -0.013 -7.372 -8.163 587 HG2 ARG 76 1HG ARG 76 0.757 -6.256 -10.216 588 HG3 ARG 76 2HG ARG 76 -0.865 -5.754 -9.721 589 HD2 ARG 76 1HD ARG 76 1.249 -4.475 -8.512 590 HD3 ARG 76 2HD ARG 76 1.196 -4.018 -10.270 591 HE ARG 76 HE ARG 76 -0.341 -3.062 -8.097 592 HH11 ARG 76 1HH1 ARG 76 -0.962 -4.142 -11.425 593 HH12 ARG 76 2HH1 ARG 76 -2.386 -3.234 -11.651 594 HH21 ARG 76 1HH2 ARG 76 -2.345 -1.808 -8.402 595 HH22 ARG 76 2HH2 ARG 76 -3.202 -1.851 -9.864 596 H LEU 77 H LEU 77 1.097 -7.100 -5.508 597 HA LEU 77 HA LEU 77 -0.519 -9.322 -5.139 598 HB2 LEU 77 1HB LEU 77 2.069 -8.932 -4.619 599 HB3 LEU 77 2HB LEU 77 1.549 -8.267 -3.304 600 HG LEU 77 HG LEU 77 0.172 -10.586 -3.100 601 HD11 LEU 77 1HD1 LEU 77 2.151 -12.056 -3.160 602 HD12 LEU 77 2HD1 LEU 77 3.034 -10.527 -3.368 603 HD13 LEU 77 3HD1 LEU 77 2.102 -11.172 -4.749 604 HD21 LEU 77 1HD2 LEU 77 2.526 -9.314 -2.176 605 HD22 LEU 77 2HD2 LEU 77 1.774 -10.640 -1.203 606 HD23 LEU 77 3HD2 LEU 77 0.943 -9.049 -1.440 607 H TYR 78 H TYR 78 0.523 -6.984 -2.823 608 HA TYR 78 HA TYR 78 -1.430 -8.046 -1.138 609 HB2 TYR 78 2HB TYR 78 -0.421 -7.158 0.727 610 HB3 TYR 78 1HB TYR 78 0.937 -7.141 -0.333 611 HD1 TYR 78 1HD TYR 78 -0.187 -5.625 2.124 612 HD2 TYR 78 2HD TYR 78 0.571 -4.801 -1.888 613 HE1 TYR 78 1HE TYR 78 0.041 -3.340 2.704 614 HE2 TYR 78 2HE TYR 78 0.753 -2.513 -1.476 615 HH TYR 78 HH TYR 78 0.618 -1.389 1.993 616 H THR 79 H THR 79 -1.219 -5.753 -3.357 617 HA THR 79 HA THR 79 -3.222 -3.881 -2.294 618 HB THR 79 HB THR 79 -2.990 -2.586 -4.201 619 HG1 THR 79 1HG THR 79 -2.999 -4.578 -5.661 620 HG21 THR 79 1HG2 THR 79 -0.527 -2.429 -4.388 621 HG22 THR 79 2HG2 THR 79 -0.505 -3.972 -3.480 622 HG23 THR 79 3HG2 THR 79 -1.220 -2.532 -2.753 623 H SER 80 H SER 80 -3.278 -6.842 -3.861 624 HA SER 80 HA SER 80 -5.998 -6.470 -4.762 625 HB2 SER 80 1HB SER 80 -4.222 -8.937 -4.769 626 HB3 SER 80 2HB SER 80 -5.827 -8.835 -5.496 627 HG SER 80 HG SER 80 -3.458 -7.491 -6.239 628 H SER 81 H SER 81 -4.493 -6.690 -1.916 629 HA SER 81 HA SER 81 -6.214 -8.591 -0.646 630 HB2 SER 81 1HB SER 81 -4.291 -8.442 0.441 631 HB3 SER 81 2HB SER 81 -4.157 -6.631 0.277 632 HG SER 81 HG SER 81 -5.747 -8.271 2.025 633 H TRP 82 H TRP 82 -7.553 -7.962 0.845 634 HA TRP 82 HA TRP 82 -9.305 -5.649 0.044 635 HB2 TRP 82 2HB TRP 82 -10.026 -8.150 1.299 636 HB3 TRP 82 1HB TRP 82 -10.072 -6.898 2.490 637 HD1 TRP 82 1HD TRP 82 -10.738 -6.039 -0.958 638 HE1 TRP 82 1HE TRP 82 -13.160 -5.514 -1.198 639 HE3 TRP 82 3HE TRP 82 -12.231 -7.808 3.464 640 HZ2 TRP 82 2HZ TRP 82 -15.424 -5.771 0.298 641 HZ3 TRP 82 3HZ TRP 82 -14.568 -7.694 4.003 642 HH2 TRP 82 2HH TRP 82 -16.183 -6.647 2.314 643 H ARG 83 H ARG 83 -7.589 -6.624 2.670 644 HA ARG 83 HA ARG 83 -8.081 -4.434 4.372 645 HB2 ARG 83 1HB ARG 83 -7.174 -6.090 5.118 646 HB3 ARG 83 2HB ARG 83 -5.683 -6.241 4.105 647 HG2 ARG 83 1HG ARG 83 -4.829 -5.470 6.139 648 HG3 ARG 83 2HG ARG 83 -5.489 -3.911 5.608 649 HD2 ARG 83 1HD ARG 83 -6.333 -4.536 7.835 650 HD3 ARG 83 2HD ARG 83 -7.508 -4.396 6.483 651 HE ARG 83 HE ARG 83 -6.818 -7.064 6.516 652 HH11 ARG 83 1HH1 ARG 83 -8.396 -5.045 8.945 653 HH12 ARG 83 2HH1 ARG 83 -9.369 -6.326 9.519 654 HH21 ARG 83 1HH2 ARG 83 -8.018 -8.660 7.183 655 HH22 ARG 83 2HH2 ARG 83 -9.165 -8.552 8.455 656 H TYR 84 H TYR 84 -6.239 -4.636 1.614 657 HA TYR 84 HA TYR 84 -4.824 -2.218 1.747 658 HB2 TYR 84 2HB TYR 84 -4.319 -3.979 0.118 659 HB3 TYR 84 1HB TYR 84 -5.943 -3.916 -0.421 660 HD1 TYR 84 1HD TYR 84 -2.736 -1.809 -0.600 661 HD2 TYR 84 2HD TYR 84 -6.728 -2.593 -1.914 662 HE1 TYR 84 1HE TYR 84 -2.449 -0.315 -2.364 663 HE2 TYR 84 2HE TYR 84 -6.422 -1.017 -3.760 664 HH TYR 84 HH TYR 84 -3.432 0.142 -4.652 665 H LEU 85 H LEU 85 -7.761 -3.050 0.042 666 HA LEU 85 HA LEU 85 -8.329 -0.304 -0.320 667 HB2 LEU 85 1HB LEU 85 -10.338 -0.890 -1.437 668 HB3 LEU 85 2HB LEU 85 -8.697 -1.159 -2.210 669 HG LEU 85 HG LEU 85 -10.527 -2.746 -2.920 670 HD11 LEU 85 1HD1 LEU 85 -9.592 -4.827 -2.215 671 HD12 LEU 85 2HD1 LEU 85 -8.715 -3.905 -0.964 672 HD13 LEU 85 3HD1 LEU 85 -8.334 -3.637 -2.671 673 HD21 LEU 85 1HD2 LEU 85 -11.961 -2.411 -1.013 674 HD22 LEU 85 2HD2 LEU 85 -10.761 -3.219 -0.006 675 HD23 LEU 85 3HD2 LEU 85 -11.611 -4.141 -1.254 676 H TYR 86 H TYR 86 -8.855 -1.564 2.127 677 HA TYR 86 HA TYR 86 -11.504 -1.389 2.851 678 HB2 TYR 86 2HB TYR 86 -9.016 -1.188 3.706 679 HB3 TYR 86 1HB TYR 86 -10.018 -0.621 4.992 680 HD1 TYR 86 1HD TYR 86 -10.641 -3.255 2.597 681 HD2 TYR 86 2HD TYR 86 -9.493 -2.699 6.631 682 HE1 TYR 86 1HE TYR 86 -11.125 -5.378 2.966 683 HE2 TYR 86 2HE TYR 86 -9.964 -4.975 7.098 684 HH TYR 86 HH TYR 86 -10.534 -7.284 4.658 685 H GLY 87 H GLY 87 -9.146 0.748 1.949 686 HA2 GLY 87 1HA GLY 87 -10.616 3.026 1.627 687 HA3 GLY 87 2HA GLY 87 -9.664 3.325 3.085 688 H VAL 88 H VAL 88 -9.764 2.388 -0.283 689 HA VAL 88 HA VAL 88 -7.350 3.935 -0.640 690 HB VAL 88 HB VAL 88 -7.858 1.324 -2.010 691 HG11 VAL 88 1HG1 VAL 88 -5.565 1.674 -2.915 692 HG12 VAL 88 2HG1 VAL 88 -5.492 3.235 -2.098 693 HG13 VAL 88 3HG1 VAL 88 -6.659 2.971 -3.396 694 HG21 VAL 88 1HG2 VAL 88 -5.730 2.034 -0.086 695 HG22 VAL 88 2HG2 VAL 88 -6.198 0.381 -0.695 696 HG23 VAL 88 3HG2 VAL 88 -7.285 1.351 0.315 697 H LYS 89 H LYS 89 -8.270 5.413 -2.191 698 HA LYS 89 HA LYS 89 -8.588 4.515 -4.722 699 HB2 LYS 89 1HB LYS 89 -10.903 3.901 -4.087 700 HB3 LYS 89 2HB LYS 89 -11.340 5.503 -3.644 701 HG2 LYS 89 1HG LYS 89 -12.218 5.026 -5.802 702 HG3 LYS 89 2HG LYS 89 -10.917 6.195 -6.005 703 HD2 LYS 89 1HD LYS 89 -10.695 4.570 -7.751 704 HD3 LYS 89 2HD LYS 89 -9.393 4.286 -6.614 705 HE2 LYS 89 1HE LYS 89 -11.974 2.687 -6.736 706 HE3 LYS 89 2HE LYS 89 -10.473 2.207 -7.506 707 HZ1 LYS 89 1HZ LYS 89 -11.091 2.304 -4.588 708 HZ2 LYS 89 2HZ LYS 89 -9.520 2.248 -5.116 709 HZ3 LYS 89 3HZ LYS 89 -10.582 0.998 -5.503 710 HA PRO 90 HA PRO 90 -7.682 9.128 -4.244 711 HB2 PRO 90 2HB PRO 90 -8.827 9.907 -1.782 712 HB3 PRO 90 1HB PRO 90 -9.207 10.672 -3.367 713 HG2 PRO 90 2HG PRO 90 -11.077 9.414 -1.988 714 HG3 PRO 90 1HG PRO 90 -10.940 9.127 -3.740 715 HD2 PRO 90 2HD PRO 90 -9.827 7.483 -1.512 716 HD3 PRO 90 1HD PRO 90 -10.873 7.001 -2.865 717 H GLY 91 H GLY 91 -7.270 10.457 -1.598 718 HA2 GLY 91 1HA GLY 91 -5.141 9.220 -1.059 719 HA3 GLY 91 2HA GLY 91 -5.409 10.704 -0.170 720 H ALA 92 H ALA 92 -6.980 8.189 -0.483 721 HA ALA 92 HA ALA 92 -7.762 7.124 2.040 722 HB1 ALA 92 1HB ALA 92 -7.515 5.968 -0.623 723 HB2 ALA 92 2HB ALA 92 -8.906 6.793 0.043 724 HB3 ALA 92 3HB ALA 92 -8.431 5.148 0.646 725 H THR 93 H THR 93 -5.382 6.381 -0.068 726 HA THR 93 HA THR 93 -3.925 4.357 0.840 727 HB THR 93 HB THR 93 -3.166 5.539 -0.946 728 HG1 THR 93 1HG THR 93 -1.591 4.943 0.810 729 HG21 THR 93 1HG2 THR 93 -2.530 7.996 -0.864 730 HG22 THR 93 2HG2 THR 93 -3.322 8.022 0.705 731 HG23 THR 93 3HG2 THR 93 -4.204 7.492 -0.693 732 H ARG 94 H ARG 94 -4.104 7.590 2.170 733 HA ARG 94 HA ARG 94 -3.222 8.678 3.849 734 HB2 ARG 94 1HB ARG 94 -3.505 5.990 5.025 735 HB3 ARG 94 2HB ARG 94 -2.561 7.322 5.757 736 HG2 ARG 94 1HG ARG 94 -4.761 7.354 6.801 737 HG3 ARG 94 2HG ARG 94 -4.756 8.660 5.625 738 HD2 ARG 94 1HD ARG 94 -6.084 7.218 4.036 739 HD3 ARG 94 2HD ARG 94 -5.872 5.913 5.177 740 HE ARG 94 HE ARG 94 -7.060 7.960 6.584 741 HH11 ARG 94 1HH1 ARG 94 -7.803 5.795 3.920 742 HH12 ARG 94 2HH1 ARG 94 -9.484 5.733 4.213 743 HH21 ARG 94 1HH2 ARG 94 -9.212 7.871 7.097 744 HH22 ARG 94 2HH2 ARG 94 -10.365 7.022 6.146 745 H VAL 95 H VAL 95 -1.253 6.830 1.965 746 HA VAL 95 HA VAL 95 0.945 7.795 3.421 747 HB VAL 95 HB VAL 95 2.068 5.880 3.755 748 HG11 VAL 95 1HG1 VAL 95 0.574 4.144 4.518 749 HG12 VAL 95 2HG1 VAL 95 -0.656 4.926 3.397 750 HG13 VAL 95 3HG1 VAL 95 0.027 5.824 4.766 751 HG21 VAL 95 1HG2 VAL 95 0.667 4.616 1.431 752 HG22 VAL 95 2HG2 VAL 95 2.147 4.073 2.332 753 HG23 VAL 95 3HG2 VAL 95 2.136 5.606 1.445 754 H ASP 96 H ASP 96 2.472 7.973 2.467 755 HA ASP 96 HA ASP 96 3.209 7.662 -0.429 756 HB2 ASP 96 1HB ASP 96 2.099 9.980 0.358 757 HB3 ASP 96 2HB ASP 96 3.585 10.118 1.279 758 H LEU 97 H LEU 97 3.819 5.991 1.406 759 HA LEU 97 HA LEU 97 4.905 5.115 2.748 760 HB2 LEU 97 1HB LEU 97 7.434 5.787 1.379 761 HB3 LEU 97 2HB LEU 97 6.788 4.584 2.290 762 HG LEU 97 HG LEU 97 4.985 4.935 0.285 763 HD11 LEU 97 1HD1 LEU 97 6.581 4.288 -1.548 764 HD12 LEU 97 2HD1 LEU 97 7.843 4.235 -0.384 765 HD13 LEU 97 3HD1 LEU 97 7.144 5.827 -0.842 766 HD21 LEU 97 1HD2 LEU 97 5.743 2.738 0.031 767 HD22 LEU 97 2HD2 LEU 97 5.393 3.225 1.744 768 HD23 LEU 97 3HD2 LEU 97 7.104 3.394 1.017 769 H ASP 98 H ASP 98 5.675 8.428 2.923 770 HA ASP 98 HA ASP 98 6.892 8.380 5.469 771 HB2 ASP 98 1HB ASP 98 5.797 10.328 3.485 772 HB3 ASP 98 2HB ASP 98 6.037 10.960 5.074 773 H GLY 99 H GLY 99 3.959 8.552 3.843 774 HA2 GLY 99 1HA GLY 99 2.121 7.444 4.851 775 HA3 GLY 99 2HA GLY 99 2.565 8.026 6.306 776 H ASN 100 H ASN 100 2.360 9.972 3.360 777 HA ASN 100 HA ASN 100 0.364 11.952 4.203 778 HB2 ASN 100 1HB ASN 100 2.408 11.268 2.218 779 HB3 ASN 100 2HB ASN 100 1.380 12.447 1.664 780 HD21 ASN 100 1HD2 ASN 100 4.291 13.756 2.938 781 HD22 ASN 100 2HD2 ASN 100 4.002 12.497 1.811 782 HA PRO 101 HA PRO 101 -2.492 9.193 2.108 783 HB2 PRO 101 2HB PRO 101 -4.063 11.615 1.417 784 HB3 PRO 101 1HB PRO 101 -4.386 10.271 2.435 785 HG2 PRO 101 2HG PRO 101 -3.772 12.633 3.601 786 HG3 PRO 101 1HG PRO 101 -2.963 11.155 4.246 787 HD2 PRO 101 2HD PRO 101 -2.205 12.722 1.999 788 HD3 PRO 101 1HD PRO 101 -1.164 12.902 3.303 789 H CYS 102 H CYS 102 -0.697 9.102 0.491 790 HA CYS 102 HA CYS 102 0.565 9.791 -1.259 791 HB2 CYS 102 2HB CYS 102 -0.463 8.732 -2.926 792 HB3 CYS 102 1HB CYS 102 -2.058 8.988 -2.383 793 HG CYS 102 HG CYS 102 -2.694 10.422 -4.301 794 H GLY 103 H GLY 103 -0.895 11.635 0.390 795 HA2 GLY 103 1HA GLY 103 -0.572 13.907 1.102 796 HA3 GLY 103 2HA GLY 103 0.352 14.091 -0.378 797 H GLU 104 H GLU 104 -2.241 12.640 -0.973 798 HA GLU 104 HA GLU 104 -3.379 14.642 -2.601 799 HB2 GLU 104 1HB GLU 104 -3.515 12.694 -3.809 800 HB3 GLU 104 2HB GLU 104 -3.164 11.838 -2.301 801 HG2 GLU 104 1HG GLU 104 -5.089 11.399 -1.756 802 HG3 GLU 104 2HG GLU 104 -5.918 12.650 -2.759 803 H LEU 105 H LEU 105 -4.497 12.749 0.322 804 HA LEU 105 HA LEU 105 -6.742 14.624 0.378 805 HB2 LEU 105 1HB LEU 105 -7.138 12.155 -0.750 806 HB3 LEU 105 2HB LEU 105 -7.094 11.779 0.841 807 HG LEU 105 HG LEU 105 -8.912 14.042 0.301 808 HD11 LEU 105 1HD1 LEU 105 -9.867 12.860 -1.400 809 HD12 LEU 105 2HD1 LEU 105 -10.530 11.883 0.028 810 HD13 LEU 105 3HD1 LEU 105 -9.020 11.434 -0.809 811 HD21 LEU 105 1HD2 LEU 105 -9.848 11.844 1.800 812 HD22 LEU 105 2HD2 LEU 105 -9.389 13.541 2.193 813 HD23 LEU 105 3HD2 LEU 105 -8.153 12.326 2.149 814 H ASP 106 H ASP 106 -7.832 14.601 2.202 815 HA ASP 106 HA ASP 106 -6.670 14.665 4.851 816 HB2 ASP 106 1HB ASP 106 -8.399 16.316 4.137 817 HB3 ASP 106 2HB ASP 106 -9.211 15.099 3.259 818 H GLU 107 H GLU 107 -8.948 13.385 5.896 819 HA GLU 107 HA GLU 107 -9.087 10.718 4.630 820 HB2 GLU 107 1HB GLU 107 -8.420 9.584 6.479 821 HB3 GLU 107 2HB GLU 107 -7.805 11.226 6.847 822 HG2 GLU 107 1HG GLU 107 -9.440 11.756 8.267 823 HG3 GLU 107 2HG GLU 107 -10.551 10.673 7.541 824 H GLN 108 H GLN 108 -10.850 13.258 5.419 825 HA GLN 108 HA GLN 108 -13.268 11.674 5.752 826 HB2 GLN 108 1HB GLN 108 -12.276 13.728 7.214 827 HB3 GLN 108 2HB GLN 108 -13.096 14.512 5.855 828 HG2 GLN 108 1HG GLN 108 -14.872 14.204 7.474 829 HG3 GLN 108 2HG GLN 108 -14.879 12.832 6.311 830 HE21 GLN 108 1HE2 GLN 108 -13.780 12.055 10.119 831 HE22 GLN 108 2HE2 GLN 108 -13.824 13.686 9.534 832 H HIS 109 H HIS 109 -11.237 12.412 3.570 833 HA HIS 109 HA HIS 109 -13.616 12.258 1.942 834 HB2 HIS 109 1HB HIS 109 -11.025 13.199 1.438 835 HB3 HIS 109 2HB HIS 109 -12.278 13.427 0.155 836 HD1 HIS 109 HD1 HIS 109 -14.251 14.746 2.580 837 HD2 HIS 109 HD2 HIS 109 -10.457 16.043 1.487 838 HE1 HIS 109 HE1 HIS 109 -14.103 17.111 3.363 839 HE2 HIS 109 HE2 HIS 109 -11.659 17.569 3.170 840 H VAL 110 H VAL 110 -10.853 10.978 2.834 841 HA VAL 110 HA VAL 110 -11.351 9.252 0.815 842 HB VAL 110 HB VAL 110 -9.436 7.783 1.753 843 HG11 VAL 110 1HG1 VAL 110 -8.040 9.465 0.392 844 HG12 VAL 110 2HG1 VAL 110 -9.382 10.549 0.798 845 HG13 VAL 110 3HG1 VAL 110 -9.700 9.109 -0.190 846 HG21 VAL 110 1HG2 VAL 110 -7.827 9.182 2.930 847 HG22 VAL 110 2HG2 VAL 110 -9.349 9.013 3.852 848 HG23 VAL 110 3HG2 VAL 110 -9.040 10.470 2.837 849 H GLU 111 H GLU 111 -12.406 9.927 3.099 850 HA GLU 111 HA GLU 111 -13.545 8.001 4.811 851 HB2 GLU 111 1HB GLU 111 -13.651 10.139 5.181 852 HB3 GLU 111 2HB GLU 111 -14.262 10.852 4.006 853 HG2 GLU 111 1HG GLU 111 -15.658 8.639 5.174 854 HG3 GLU 111 2HG GLU 111 -15.869 10.234 5.979 855 H HIS 112 H HIS 112 -14.271 9.178 1.664 856 HA HIS 112 HA HIS 112 -16.365 7.300 1.258 857 HB2 HIS 112 1HB HIS 112 -14.724 8.940 -0.383 858 HB3 HIS 112 2HB HIS 112 -16.159 8.155 -1.134 859 HD1 HIS 112 HD1 HIS 112 -18.547 9.101 -0.145 860 HD2 HIS 112 HD2 HIS 112 -15.185 11.215 0.990 861 HE1 HIS 112 HE1 HIS 112 -19.423 11.182 0.932 862 HE2 HIS 112 HE2 HIS 112 -17.367 11.796 2.171 863 H ALA 113 H ALA 113 -13.142 7.165 1.087 864 HA ALA 113 HA ALA 113 -13.116 5.061 -0.679 865 HB1 ALA 113 1HB ALA 113 -11.604 6.982 0.155 866 HB2 ALA 113 2HB ALA 113 -10.997 5.510 -0.747 867 HB3 ALA 113 3HB ALA 113 -10.997 5.578 1.076 868 H ARG 114 H ARG 114 -13.109 5.817 2.548 869 HA ARG 114 HA ARG 114 -12.221 3.548 3.667 870 HB2 ARG 114 1HB ARG 114 -12.480 5.924 4.602 871 HB3 ARG 114 2HB ARG 114 -14.149 5.535 4.848 872 HG2 ARG 114 1HG ARG 114 -13.496 3.808 6.479 873 HG3 ARG 114 2HG ARG 114 -11.805 4.300 6.267 874 HD2 ARG 114 1HD ARG 114 -12.887 6.718 6.662 875 HD3 ARG 114 2HD ARG 114 -14.052 5.759 7.565 876 HE ARG 114 HE ARG 114 -11.839 4.870 8.631 877 HH11 ARG 114 1HH1 ARG 114 -12.829 8.303 7.986 878 HH12 ARG 114 2HH1 ARG 114 -11.647 8.901 9.064 879 HH21 ARG 114 1HH2 ARG 114 -10.220 5.962 10.174 880 HH22 ARG 114 2HH2 ARG 114 -10.238 7.671 10.180 881 H LYS 115 H LYS 115 -15.116 4.586 2.031 882 HA LYS 115 HA LYS 115 -16.884 2.764 3.286 883 HB2 LYS 115 1HB LYS 115 -18.404 4.533 3.272 884 HB3 LYS 115 2HB LYS 115 -16.935 5.479 3.043 885 HG2 LYS 115 1HG LYS 115 -17.961 6.399 1.352 886 HG3 LYS 115 2HG LYS 115 -17.542 4.905 0.482 887 HD2 LYS 115 1HD LYS 115 -20.107 5.284 2.063 888 HD3 LYS 115 2HD LYS 115 -19.983 5.673 0.343 889 HE2 LYS 115 1HE LYS 115 -19.799 3.529 -0.272 890 HE3 LYS 115 2HE LYS 115 -18.916 3.151 1.216 891 HZ1 LYS 115 1HZ LYS 115 -21.871 3.608 1.163 892 HZ2 LYS 115 2HZ LYS 115 -20.906 2.856 2.377 893 HZ3 LYS 115 3HZ LYS 115 -21.138 2.118 0.854 894 H GLN 116 H GLN 116 -15.155 3.701 0.317 895 HA GLN 116 HA GLN 116 -16.877 2.284 -0.978 896 HB2 GLN 116 1HB GLN 116 -15.191 2.053 -2.920 897 HB3 GLN 116 2HB GLN 116 -15.598 3.667 -2.348 898 HG2 GLN 116 1HG GLN 116 -13.405 3.898 -2.366 899 HG3 GLN 116 2HG GLN 116 -13.660 3.167 -0.754 900 HE21 GLN 116 1HE2 GLN 116 -12.055 0.120 -1.640 901 HE22 GLN 116 2HE2 GLN 116 -13.183 0.845 -0.595 902 H LEU 117 H LEU 117 -14.737 0.993 1.187 903 HA LEU 117 HA LEU 117 -14.917 -1.700 0.289 904 HB2 LEU 117 1HB LEU 117 -13.213 -1.536 1.255 905 HB3 LEU 117 2HB LEU 117 -13.056 -0.540 2.483 906 HG LEU 117 HG LEU 117 -15.068 -2.498 2.801 907 HD11 LEU 117 1HD1 LEU 117 -12.330 -2.934 2.102 908 HD12 LEU 117 2HD1 LEU 117 -13.791 -3.603 1.266 909 HD13 LEU 117 3HD1 LEU 117 -13.155 -4.381 2.722 910 HD21 LEU 117 1HD2 LEU 117 -14.212 -1.378 4.767 911 HD22 LEU 117 2HD2 LEU 117 -12.570 -1.940 4.440 912 HD23 LEU 117 3HD2 LEU 117 -13.826 -3.088 4.889 913 H GLU 118 H GLU 118 -17.178 0.405 1.851 914 HA GLU 118 HA GLU 118 -18.562 -1.829 2.795 915 HB2 GLU 118 1HB GLU 118 -19.614 0.878 2.090 916 HB3 GLU 118 2HB GLU 118 -20.437 -0.346 3.029 917 HG2 GLU 118 1HG GLU 118 -18.771 -0.057 4.795 918 HG3 GLU 118 2HG GLU 118 -18.030 1.237 3.844 919 H GLU 119 H GLU 119 -17.917 -0.584 0.090 920 HA GLU 119 HA GLU 119 -20.319 -1.187 -1.198 921 HB2 GLU 119 1HB GLU 119 -17.663 -0.437 -2.234 922 HB3 GLU 119 2HB GLU 119 -19.103 -0.490 -3.316 923 HG2 GLU 119 1HG GLU 119 -18.675 0.965 -0.841 924 HG3 GLU 119 2HG GLU 119 -18.573 1.813 -2.425 925 H ALA 120 H ALA 120 -17.081 -2.155 -1.023 926 HA ALA 120 HA ALA 120 -17.001 -4.645 -2.306 927 HB1 ALA 120 1HB ALA 120 -15.483 -3.838 0.030 928 HB2 ALA 120 2HB ALA 120 -15.248 -3.025 -1.522 929 HB3 ALA 120 3HB ALA 120 -14.977 -4.800 -1.389 930 H LYS 121 H LYS 121 -17.350 -3.905 0.918 931 HA LYS 121 HA LYS 121 -17.955 -6.344 2.084 932 HB2 LYS 121 1HB LYS 121 -18.240 -3.597 2.380 933 HB3 LYS 121 2HB LYS 121 -19.405 -4.584 3.420 934 HG2 LYS 121 1HG LYS 121 -17.429 -5.472 4.146 935 HG3 LYS 121 2HG LYS 121 -16.505 -4.473 3.049 936 HD2 LYS 121 1HD LYS 121 -16.553 -3.470 5.414 937 HD3 LYS 121 2HD LYS 121 -16.987 -2.603 3.916 938 HE2 LYS 121 1HE LYS 121 -18.610 -1.974 5.645 939 HE3 LYS 121 2HE LYS 121 -19.227 -2.990 4.308 940 HZ1 LYS 121 1HZ LYS 121 -19.302 -4.887 5.751 941 HZ2 LYS 121 2HZ LYS 121 -20.083 -3.609 6.552 942 HZ3 LYS 121 3HZ LYS 121 -18.514 -4.037 6.993 943 H ALA 122 H ALA 122 -20.104 -4.076 1.204 944 HA ALA 122 HA ALA 122 -22.294 -5.523 1.319 945 HB1 ALA 122 1HB ALA 122 -21.782 -3.651 -0.797 946 HB2 ALA 122 2HB ALA 122 -21.922 -3.292 0.939 947 HB3 ALA 122 3HB ALA 122 -23.362 -3.954 0.036 948 H ARG 123 H ARG 123 -19.764 -6.004 -1.041 949 HA ARG 123 HA ARG 123 -21.494 -6.980 -2.958 950 HB2 ARG 123 1HB ARG 123 -19.789 -6.447 -4.385 951 HB3 ARG 123 2HB ARG 123 -19.010 -5.857 -2.884 952 HG2 ARG 123 1HG ARG 123 -18.208 -8.131 -2.563 953 HG3 ARG 123 2HG ARG 123 -18.560 -8.499 -4.275 954 HD2 ARG 123 1HD ARG 123 -17.120 -6.386 -4.729 955 HD3 ARG 123 2HD ARG 123 -16.727 -6.567 -3.003 956 HE ARG 123 HE ARG 123 -16.085 -8.554 -5.075 957 HH11 ARG 123 1HH1 ARG 123 -15.374 -7.199 -1.897 958 HH12 ARG 123 2HH1 ARG 123 -13.816 -7.873 -1.742 959 HH21 ARG 123 1HH2 ARG 123 -13.872 -9.516 -4.906 960 HH22 ARG 123 2HH2 ARG 123 -12.935 -9.246 -3.529 961 H VAL 124 H VAL 124 -19.713 -7.709 -0.477 962 HA VAL 124 HA VAL 124 -18.844 -10.322 -1.218 963 HB VAL 124 HB VAL 124 -18.458 -8.742 1.228 964 HG11 VAL 124 1HG1 VAL 124 -17.268 -11.302 0.353 965 HG12 VAL 124 2HG1 VAL 124 -18.340 -11.010 1.755 966 HG13 VAL 124 3HG1 VAL 124 -16.659 -10.373 1.756 967 HG21 VAL 124 1HG2 VAL 124 -17.447 -7.812 -0.554 968 HG22 VAL 124 2HG2 VAL 124 -16.674 -9.330 -1.062 969 HG23 VAL 124 3HG2 VAL 124 -16.177 -8.509 0.451 970 H GLN 125 H GLN 125 -20.169 -8.788 1.203 971 HA GLN 125 HA GLN 125 -21.489 -9.004 2.932 972 HB2 GLN 125 1HB GLN 125 -21.715 -8.529 0.853 973 HB3 GLN 125 2HB GLN 125 -22.507 -7.761 1.573 974 HG2 GLN 125 1HG GLN 125 -23.546 -8.569 -0.582 975 HG3 GLN 125 2HG GLN 125 -22.555 -10.016 -0.271 976 HE21 GLN 125 1HE2 GLN 125 -26.146 -10.383 1.552 977 HE22 GLN 125 2HE2 GLN 125 -25.051 -9.107 1.963 978 H ALA 126 H ALA 126 -21.004 -12.083 1.771 979 HA ALA 126 HA ALA 126 -22.804 -13.290 3.372 980 HB1 ALA 126 1HB ALA 126 -24.355 -12.832 1.981 981 HB2 ALA 126 2HB ALA 126 -23.819 -14.375 1.203 982 HB3 ALA 126 3HB ALA 126 -23.264 -12.750 0.603 983 H GLN 127 H GLN 127 -21.390 -13.668 0.080 984 HA GLN 127 HA GLN 127 -20.351 -16.113 0.341 985 HB2 GLN 127 1HB GLN 127 -21.131 -14.218 -1.420 986 HB3 GLN 127 2HB GLN 127 -19.403 -14.197 -1.572 987 HG2 GLN 127 1HG GLN 127 -21.344 -16.320 -1.727 988 HG3 GLN 127 2HG GLN 127 -20.449 -15.746 -3.155 989 HE21 GLN 127 1HE2 GLN 127 -18.961 -18.725 -0.842 990 HE22 GLN 127 2HE2 GLN 127 -20.512 -18.006 -0.561 991 H ARG 128 H ARG 128 -18.318 -16.653 0.903 992 HA ARG 128 HA ARG 128 -16.575 -15.199 2.086 993 HB2 ARG 128 1HB ARG 128 -16.356 -17.729 0.611 994 HB3 ARG 128 2HB ARG 128 -14.944 -16.720 1.012 995 HG2 ARG 128 1HG ARG 128 -16.861 -17.267 3.108 996 HG3 ARG 128 2HG ARG 128 -15.638 -18.541 2.745 997 HD2 ARG 128 1HD ARG 128 -15.412 -15.708 3.539 998 HD3 ARG 128 2HD ARG 128 -14.793 -17.079 4.473 999 HE ARG 128 HE ARG 128 -13.266 -17.347 2.375 1000 HH11 ARG 128 1HH1 ARG 128 -14.161 -14.166 3.794 1001 HH12 ARG 128 2HH1 ARG 128 -12.806 -13.400 3.062 1002 HH21 ARG 128 1HH2 ARG 128 -11.373 -16.094 1.479 1003 HH22 ARG 128 2HH2 ARG 128 -11.344 -14.417 1.823 1004 H ALA 129 H ALA 129 -17.075 -15.366 -1.337 1005 HA ALA 129 HA ALA 129 -14.702 -14.759 -2.299 1006 HB1 ALA 129 1HB ALA 129 -15.725 -13.935 -4.216 1007 HB2 ALA 129 2HB ALA 129 -17.343 -14.004 -3.411 1008 HB3 ALA 129 3HB ALA 129 -16.323 -15.470 -3.620 1009 H GLU 130 H GLU 130 -13.463 -13.255 -1.843 1010 HA GLU 130 HA GLU 130 -13.953 -10.665 -2.350 1011 HB2 GLU 130 1HB GLU 130 -13.237 -9.676 -0.056 1012 HB3 GLU 130 2HB GLU 130 -14.874 -10.265 -0.192 1013 HG2 GLU 130 1HG GLU 130 -14.243 -11.083 1.915 1014 HG3 GLU 130 2HG GLU 130 -13.900 -12.414 0.803 1015 H GLN 131 H GLN 131 -11.859 -12.589 -0.385 1016 HA GLN 131 HA GLN 131 -9.788 -12.231 -2.418 1017 HB2 GLN 131 1HB GLN 131 -9.414 -12.631 0.578 1018 HB3 GLN 131 2HB GLN 131 -8.114 -12.548 -0.605 1019 HG2 GLN 131 1HG GLN 131 -8.639 -10.253 -1.090 1020 HG3 GLN 131 2HG GLN 131 -10.052 -10.323 -0.043 1021 HE21 GLN 131 1HE2 GLN 131 -8.273 -9.774 2.877 1022 HE22 GLN 131 2HE2 GLN 131 -9.778 -10.285 2.152 1023 H GLN 132 H GLN 132 -10.789 -13.968 -3.445 1024 HA GLN 132 HA GLN 132 -10.363 -16.467 -2.133 1025 HB2 GLN 132 1HB GLN 132 -12.879 -15.494 -3.352 1026 HB3 GLN 132 2HB GLN 132 -12.455 -17.244 -3.358 1027 HG2 GLN 132 1HG GLN 132 -12.634 -15.445 -0.973 1028 HG3 GLN 132 2HG GLN 132 -13.957 -16.419 -1.540 1029 HE21 GLN 132 1HE2 GLN 132 -11.051 -19.017 -0.427 1030 HE22 GLN 132 2HE2 GLN 132 -10.786 -17.956 -1.728 1031 H ALA 133 H ALA 133 -9.723 -18.200 -3.500 1032 HA ALA 133 HA ALA 133 -9.738 -18.054 -6.250 1033 HB1 ALA 133 1HB ALA 133 -7.721 -16.739 -5.852 1034 HB2 ALA 133 2HB ALA 133 -7.264 -18.382 -6.306 1035 HB3 ALA 133 3HB ALA 133 -7.181 -17.878 -4.612 Start of MODEL 9 1 H1 MET 1 1H MET 1 35.071 -7.559 16.421 2 H2 MET 1 2H MET 1 33.836 -7.333 17.578 3 H3 MET 1 3H MET 1 34.244 -6.118 16.439 4 HA MET 1 HA MET 1 33.218 -8.730 15.611 5 HB2 MET 1 1HB MET 1 31.842 -6.025 15.776 6 HB3 MET 1 2HB MET 1 31.198 -7.401 14.901 7 HG2 MET 1 1HG MET 1 31.030 -8.644 17.015 8 HG3 MET 1 2HG MET 1 31.647 -7.236 17.875 9 HE1 MET 1 1HE MET 1 30.196 -4.791 16.394 10 HE2 MET 1 2HE MET 1 30.321 -4.946 18.143 11 HE3 MET 1 3HE MET 1 28.756 -4.624 17.397 12 H GLY 2 H GLY 2 32.351 -8.234 13.242 13 HA2 GLY 2 1HA GLY 2 33.728 -6.189 11.837 14 HA3 GLY 2 2HA GLY 2 34.413 -7.796 11.568 15 H SER 3 H SER 3 32.760 -9.541 11.140 16 HA SER 3 HA SER 3 31.022 -8.660 9.087 17 HB2 SER 3 1HB SER 3 30.603 -11.223 9.107 18 HB3 SER 3 2HB SER 3 32.196 -10.635 8.617 19 HG SER 3 HG SER 3 32.606 -12.191 10.099 20 H SER 4 H SER 4 28.816 -8.540 9.241 21 HA SER 4 HA SER 4 27.797 -8.604 11.890 22 HB2 SER 4 1HB SER 4 26.585 -7.643 9.322 23 HB3 SER 4 2HB SER 4 25.641 -7.770 10.809 24 HG SER 4 HG SER 4 27.700 -6.011 10.152 25 H HIS 5 H HIS 5 28.080 -10.775 12.230 26 HA HIS 5 HA HIS 5 26.209 -12.679 11.069 27 HB2 HIS 5 1HB HIS 5 28.552 -13.265 11.890 28 HB3 HIS 5 2HB HIS 5 27.996 -12.960 13.526 29 HD1 HIS 5 HD1 HIS 5 26.950 -14.913 14.734 30 HD2 HIS 5 HD2 HIS 5 27.270 -15.577 10.641 31 HE1 HIS 5 HE1 HIS 5 26.360 -17.333 14.399 32 HE2 HIS 5 HE2 HIS 5 26.672 -17.740 11.932 33 H HIS 6 H HIS 6 24.997 -10.434 12.091 34 HA HIS 6 HA HIS 6 23.968 -10.976 14.790 35 HB2 HIS 6 1HB HIS 6 23.602 -8.537 13.022 36 HB3 HIS 6 2HB HIS 6 22.991 -8.698 14.658 37 HD1 HIS 6 HD1 HIS 6 25.610 -7.026 12.945 38 HD2 HIS 6 HD2 HIS 6 25.460 -9.273 16.466 39 HE1 HIS 6 HE1 HIS 6 27.604 -6.354 14.252 40 HE2 HIS 6 HE2 HIS 6 27.427 -7.578 16.432 41 H HIS 7 H HIS 7 23.193 -11.595 11.644 42 HA HIS 7 HA HIS 7 20.724 -10.823 10.928 43 HB2 HIS 7 1HB HIS 7 22.166 -12.190 9.507 44 HB3 HIS 7 2HB HIS 7 21.830 -13.600 10.493 45 HD1 HIS 7 HD1 HIS 7 19.461 -14.726 10.168 46 HD2 HIS 7 HD2 HIS 7 20.194 -11.526 7.613 47 HE1 HIS 7 HE1 HIS 7 17.817 -14.972 8.308 48 HE2 HIS 7 HE2 HIS 7 18.091 -12.905 6.920 49 H HIS 8 H HIS 8 19.268 -10.533 12.495 50 HA HIS 8 HA HIS 8 17.344 -12.603 12.938 51 HB2 HIS 8 1HB HIS 8 18.590 -11.091 15.294 52 HB3 HIS 8 2HB HIS 8 17.145 -12.079 15.392 53 HD1 HIS 8 HD1 HIS 8 20.796 -12.191 15.449 54 HD2 HIS 8 HD2 HIS 8 17.667 -14.899 15.293 55 HE1 HIS 8 HE1 HIS 8 21.805 -14.422 16.095 56 HE2 HIS 8 HE2 HIS 8 19.937 -16.064 15.711 57 H HIS 9 H HIS 9 15.776 -11.412 11.966 58 HA HIS 9 HA HIS 9 14.558 -9.652 11.225 59 HB2 HIS 9 1HB HIS 9 15.575 -8.367 13.801 60 HB3 HIS 9 2HB HIS 9 14.633 -7.433 12.649 61 HD1 HIS 9 HD1 HIS 9 12.417 -7.144 13.823 62 HD2 HIS 9 HD2 HIS 9 13.742 -11.084 13.938 63 HE1 HIS 9 HE1 HIS 9 10.604 -8.416 14.923 64 HE2 HIS 9 HE2 HIS 9 11.195 -10.736 14.422 65 H HIS 10 H HIS 10 15.093 -7.013 10.660 66 HA HIS 10 HA HIS 10 17.890 -6.647 10.181 67 HB2 HIS 10 1HB HIS 10 17.929 -6.643 7.696 68 HB3 HIS 10 2HB HIS 10 17.622 -8.227 8.375 69 HD1 HIS 10 HD1 HIS 10 16.922 -7.256 5.418 70 HD2 HIS 10 HD2 HIS 10 14.259 -7.623 8.574 71 HE1 HIS 10 HE1 HIS 10 14.695 -7.641 4.387 72 HE2 HIS 10 HE2 HIS 10 13.170 -7.301 6.282 73 H SER 11 H SER 11 15.181 -5.286 10.884 74 HA SER 11 HA SER 11 16.081 -2.558 10.746 75 HB2 SER 11 1HB SER 11 14.368 -1.736 9.315 76 HB3 SER 11 2HB SER 11 15.303 -2.852 8.324 77 HG SER 11 HG SER 11 13.550 -4.060 8.099 78 H GLN 12 H GLN 12 13.064 -2.998 10.546 79 HA GLN 12 HA GLN 12 12.840 -2.881 13.441 80 HB2 GLN 12 1HB GLN 12 11.788 -0.778 11.541 81 HB3 GLN 12 2HB GLN 12 11.653 -0.820 13.305 82 HG2 GLN 12 1HG GLN 12 13.961 -0.460 13.606 83 HG3 GLN 12 2HG GLN 12 14.348 -0.769 11.912 84 HE21 GLN 12 1HE2 GLN 12 14.491 2.735 11.697 85 HE22 GLN 12 2HE2 GLN 12 15.354 1.226 11.660 86 H ASP 13 H ASP 13 12.320 -4.791 11.479 87 HA ASP 13 HA ASP 13 9.781 -4.769 10.614 88 HB2 ASP 13 1HB ASP 13 10.443 -7.206 10.664 89 HB3 ASP 13 2HB ASP 13 11.006 -6.261 9.287 90 HA PRO 14 HA PRO 14 8.036 -5.964 14.451 91 HB2 PRO 14 2HB PRO 14 5.600 -6.836 13.123 92 HB3 PRO 14 1HB PRO 14 5.888 -5.319 14.001 93 HG2 PRO 14 2HG PRO 14 5.499 -5.347 11.340 94 HG3 PRO 14 1HG PRO 14 6.574 -4.175 12.134 95 HD2 PRO 14 2HD PRO 14 7.295 -6.755 10.803 96 HD3 PRO 14 1HD PRO 14 8.025 -5.168 10.524 97 H MET 15 H MET 15 6.586 -8.494 12.179 98 HA MET 15 HA MET 15 6.942 -10.402 14.020 99 HB2 MET 15 1HB MET 15 5.299 -10.308 12.178 100 HB3 MET 15 2HB MET 15 6.596 -10.661 11.007 101 HG2 MET 15 1HG MET 15 5.487 -12.192 13.246 102 HG3 MET 15 2HG MET 15 5.016 -12.227 11.556 103 HE1 MET 15 1HE MET 15 7.641 -12.235 9.892 104 HE2 MET 15 2HE MET 15 6.343 -13.398 9.629 105 HE3 MET 15 3HE MET 15 8.010 -13.954 9.751 106 H GLU 16 H GLU 16 8.415 -10.060 10.820 107 HA GLU 16 HA GLU 16 11.001 -9.594 11.192 108 HB2 GLU 16 1HB GLU 16 12.279 -11.652 11.158 109 HB3 GLU 16 2HB GLU 16 11.259 -11.648 12.581 110 HG2 GLU 16 1HG GLU 16 10.258 -13.536 11.964 111 HG3 GLU 16 2HG GLU 16 10.018 -12.957 10.308 112 H ASN 17 H ASN 17 12.442 -10.576 9.395 113 HA ASN 17 HA ASN 17 11.207 -11.646 7.051 114 HB2 ASN 17 1HB ASN 17 10.670 -9.034 7.145 115 HB3 ASN 17 2HB ASN 17 12.352 -8.973 6.961 116 HD21 ASN 17 1HD2 ASN 17 10.143 -10.023 3.689 117 HD22 ASN 17 2HD2 ASN 17 9.500 -10.126 5.300 118 H GLN 18 H GLN 18 13.181 -12.560 8.588 119 HA GLN 18 HA GLN 18 15.720 -11.846 8.103 120 HB2 GLN 18 1HB GLN 18 14.180 -14.164 8.828 121 HB3 GLN 18 2HB GLN 18 15.845 -14.460 8.641 122 HG2 GLN 18 1HG GLN 18 15.724 -12.231 10.254 123 HG3 GLN 18 2HG GLN 18 14.222 -13.004 10.608 124 HE21 GLN 18 1HE2 GLN 18 15.377 -15.718 12.423 125 HE22 GLN 18 2HE2 GLN 18 14.072 -14.927 11.623 126 HA PRO 19 HA PRO 19 15.711 -14.841 4.053 127 HB2 PRO 19 2HB PRO 19 12.740 -15.054 4.072 128 HB3 PRO 19 1HB PRO 19 13.927 -16.252 3.462 129 HG2 PRO 19 2HG PRO 19 12.640 -16.669 5.678 130 HG3 PRO 19 1HG PRO 19 14.387 -16.988 5.603 131 HD2 PRO 19 2HD PRO 19 13.017 -14.714 6.999 132 HD3 PRO 19 1HD PRO 19 14.485 -15.605 7.343 133 H LYS 20 H LYS 20 16.075 -13.369 2.501 134 HA LYS 20 HA LYS 20 14.962 -10.960 1.819 135 HB2 LYS 20 1HB LYS 20 15.956 -13.199 0.180 136 HB3 LYS 20 2HB LYS 20 16.165 -11.462 -0.030 137 HG2 LYS 20 1HG LYS 20 17.700 -11.293 1.631 138 HG3 LYS 20 2HG LYS 20 17.409 -12.757 2.401 139 HD2 LYS 20 1HD LYS 20 18.917 -12.400 -0.180 140 HD3 LYS 20 2HD LYS 20 19.298 -13.113 1.409 141 HE2 LYS 20 1HE LYS 20 19.122 -14.929 0.215 142 HE3 LYS 20 2HE LYS 20 17.528 -14.796 0.969 143 HZ1 LYS 20 1HZ LYS 20 16.592 -13.992 -1.180 144 HZ2 LYS 20 2HZ LYS 20 17.388 -15.435 -1.446 145 HZ3 LYS 20 3HZ LYS 20 18.135 -13.986 -1.851 146 H LEU 21 H LEU 21 13.602 -10.365 0.494 147 HA LEU 21 HA LEU 21 11.174 -10.990 0.133 148 HB2 LEU 21 1HB LEU 21 13.407 -9.620 -1.064 149 HB3 LEU 21 2HB LEU 21 11.881 -9.493 -1.921 150 HG LEU 21 HG LEU 21 10.993 -8.454 0.052 151 HD11 LEU 21 1HD1 LEU 21 13.458 -8.354 1.429 152 HD12 LEU 21 2HD1 LEU 21 12.345 -9.770 1.402 153 HD13 LEU 21 3HD1 LEU 21 11.720 -8.168 1.950 154 HD21 LEU 21 1HD2 LEU 21 13.546 -7.352 -0.254 155 HD22 LEU 21 2HD2 LEU 21 11.968 -6.530 0.111 156 HD23 LEU 21 3HD2 LEU 21 12.339 -7.144 -1.555 157 H ASN 22 H ASN 22 13.564 -11.175 -2.255 158 HA ASN 22 HA ASN 22 14.042 -12.451 -4.066 159 HB2 ASN 22 1HB ASN 22 12.019 -14.506 -3.107 160 HB3 ASN 22 2HB ASN 22 13.469 -14.718 -4.072 161 HD21 ASN 22 1HD2 ASN 22 13.768 -15.304 -0.515 162 HD22 ASN 22 2HD2 ASN 22 12.407 -15.590 -1.539 163 H SER 23 H SER 23 11.580 -10.757 -3.535 164 HA SER 23 HA SER 23 10.588 -9.424 -5.103 165 HB2 SER 23 1HB SER 23 10.168 -9.925 -7.484 166 HB3 SER 23 2HB SER 23 11.738 -10.541 -7.043 167 HG SER 23 HG SER 23 10.751 -12.586 -6.767 168 H SER 24 H SER 24 8.635 -8.784 -5.491 169 HA SER 24 HA SER 24 6.628 -8.422 -5.209 170 HB2 SER 24 1HB SER 24 4.859 -10.063 -5.768 171 HB3 SER 24 2HB SER 24 6.154 -9.990 -6.953 172 HG SER 24 HG SER 24 7.019 -11.853 -5.522 173 H LYS 25 H LYS 25 5.532 -11.400 -3.590 174 HA LYS 25 HA LYS 25 3.956 -10.138 -1.879 175 HB2 LYS 25 1HB LYS 25 3.779 -12.277 -2.571 176 HB3 LYS 25 2HB LYS 25 5.397 -12.659 -2.115 177 HG2 LYS 25 1HG LYS 25 4.989 -13.046 -0.129 178 HG3 LYS 25 2HG LYS 25 4.006 -11.591 0.037 179 HD2 LYS 25 1HD LYS 25 2.666 -13.538 0.515 180 HD3 LYS 25 2HD LYS 25 2.281 -12.715 -1.036 181 HE2 LYS 25 1HE LYS 25 2.396 -15.266 -1.331 182 HE3 LYS 25 2HE LYS 25 3.421 -14.155 -2.284 183 HZ1 LYS 25 1HZ LYS 25 4.648 -16.234 -1.340 184 HZ2 LYS 25 2HZ LYS 25 4.630 -15.398 0.149 185 HZ3 LYS 25 3HZ LYS 25 5.345 -14.748 -1.130 186 H GLU 26 H GLU 26 6.828 -11.818 -1.192 187 HA GLU 26 HA GLU 26 6.681 -10.765 1.285 188 HB2 GLU 26 1HB GLU 26 9.266 -11.877 1.470 189 HB3 GLU 26 2HB GLU 26 7.754 -12.586 1.976 190 HG2 GLU 26 1HG GLU 26 8.933 -12.922 -0.781 191 HG3 GLU 26 2HG GLU 26 9.209 -14.038 0.551 192 H VAL 27 H VAL 27 7.677 -9.092 -1.196 193 HA VAL 27 HA VAL 27 9.625 -7.428 0.283 194 HB VAL 27 HB VAL 27 10.391 -6.645 -1.572 195 HG11 VAL 27 1HG1 VAL 27 10.131 -8.940 -2.173 196 HG12 VAL 27 2HG1 VAL 27 10.122 -7.784 -3.545 197 HG13 VAL 27 3HG1 VAL 27 8.544 -8.425 -2.870 198 HG21 VAL 27 1HG2 VAL 27 7.673 -6.398 -2.678 199 HG22 VAL 27 2HG2 VAL 27 9.168 -5.529 -3.213 200 HG23 VAL 27 3HG2 VAL 27 8.488 -5.322 -1.542 201 H ILE 28 H ILE 28 6.136 -7.602 -0.313 202 HA ILE 28 HA ILE 28 5.608 -5.026 0.346 203 HB ILE 28 HB ILE 28 4.427 -7.652 0.931 204 HG12 ILE 28 1HG1 ILE 28 3.446 -7.336 -1.276 205 HG13 ILE 28 2HG1 ILE 28 2.730 -6.344 -0.162 206 HG21 ILE 28 1HG2 ILE 28 3.056 -4.991 1.627 207 HG22 ILE 28 2HG2 ILE 28 3.703 -6.151 2.778 208 HG23 ILE 28 3HG2 ILE 28 2.317 -6.585 1.778 209 HD11 ILE 28 1HD1 ILE 28 3.510 -5.145 -2.228 210 HD12 ILE 28 2HD1 ILE 28 5.034 -5.181 -1.331 211 HD13 ILE 28 3HD1 ILE 28 3.699 -4.313 -0.624 212 H ALA 29 H ALA 29 6.320 -7.816 1.974 213 HA ALA 29 HA ALA 29 6.036 -7.009 4.445 214 HB1 ALA 29 1HB ALA 29 6.123 -9.173 4.020 215 HB2 ALA 29 2HB ALA 29 7.675 -8.905 4.923 216 HB3 ALA 29 3HB ALA 29 7.602 -8.969 3.110 217 H PHE 30 H PHE 30 8.947 -6.797 2.406 218 HA PHE 30 HA PHE 30 10.637 -5.663 4.328 219 HB2 PHE 30 2HB PHE 30 11.828 -6.271 2.496 220 HB3 PHE 30 1HB PHE 30 10.409 -6.040 1.452 221 HD1 PHE 30 1HD PHE 30 12.810 -3.964 3.426 222 HD2 PHE 30 2HD PHE 30 10.394 -4.420 -0.100 223 HE1 PHE 30 1HE PHE 30 13.728 -1.946 2.501 224 HE2 PHE 30 2HE PHE 30 11.321 -2.463 -0.937 225 HZ PHE 30 HZ PHE 30 13.005 -1.202 0.321 226 H LEU 31 H LEU 31 8.447 -4.473 1.854 227 HA LEU 31 HA LEU 31 8.844 -1.824 2.095 228 HB2 LEU 31 1HB LEU 31 6.682 -3.610 1.453 229 HB3 LEU 31 2HB LEU 31 6.200 -1.926 1.375 230 HG LEU 31 HG LEU 31 8.158 -3.500 -0.136 231 HD11 LEU 31 1HD1 LEU 31 5.716 -2.977 -0.633 232 HD12 LEU 31 2HD1 LEU 31 7.075 -3.002 -1.790 233 HD13 LEU 31 3HD1 LEU 31 6.396 -1.426 -1.337 234 HD21 LEU 31 1HD2 LEU 31 8.803 -1.237 -1.133 235 HD22 LEU 31 2HD2 LEU 31 9.522 -1.908 0.305 236 HD23 LEU 31 3HD2 LEU 31 8.257 -0.618 0.461 237 H ALA 32 H ALA 32 7.001 -3.955 3.907 238 HA ALA 32 HA ALA 32 5.656 -2.013 5.547 239 HB1 ALA 32 1HB ALA 32 6.050 -4.877 5.950 240 HB2 ALA 32 2HB ALA 32 4.974 -4.168 4.739 241 HB3 ALA 32 3HB ALA 32 4.637 -3.854 6.431 242 H GLU 33 H GLU 33 8.608 -3.698 5.813 243 HA GLU 33 HA GLU 33 8.681 -3.392 8.613 244 HB2 GLU 33 1HB GLU 33 10.683 -4.613 8.545 245 HB3 GLU 33 2HB GLU 33 9.477 -4.969 7.218 246 HG2 GLU 33 1HG GLU 33 10.637 -4.106 5.641 247 HG3 GLU 33 2HG GLU 33 11.661 -3.113 6.622 248 H ARG 34 H ARG 34 9.643 -2.031 5.947 249 HA ARG 34 HA ARG 34 11.585 -0.083 6.723 250 HB2 ARG 34 1HB ARG 34 11.029 -1.698 4.739 251 HB3 ARG 34 2HB ARG 34 10.379 -0.343 3.965 252 HG2 ARG 34 1HG ARG 34 12.580 -0.352 3.315 253 HG3 ARG 34 2HG ARG 34 12.500 0.666 4.821 254 HD2 ARG 34 1HD ARG 34 13.371 -0.882 6.187 255 HD3 ARG 34 2HD ARG 34 12.950 -2.158 5.053 256 HE ARG 34 HE ARG 34 14.900 -0.477 3.940 257 HH11 ARG 34 1HH1 ARG 34 14.552 -3.287 6.133 258 HH12 ARG 34 2HH1 ARG 34 16.213 -3.544 6.287 259 HH21 ARG 34 1HH2 ARG 34 17.097 -0.858 4.094 260 HH22 ARG 34 2HH2 ARG 34 17.799 -2.115 5.028 261 H PHE 35 H PHE 35 8.228 -0.198 5.463 262 HA PHE 35 HA PHE 35 7.853 2.551 6.279 263 HB2 PHE 35 2HB PHE 35 7.084 0.645 4.406 264 HB3 PHE 35 1HB PHE 35 5.873 1.809 4.438 265 HD1 PHE 35 1HD PHE 35 7.879 4.243 4.521 266 HD2 PHE 35 2HD PHE 35 8.044 0.481 2.609 267 HE1 PHE 35 1HE PHE 35 9.530 5.100 2.956 268 HE2 PHE 35 2HE PHE 35 9.588 1.247 1.100 269 HZ PHE 35 HZ PHE 35 10.446 3.547 1.161 270 HA PRO 36 HA PRO 36 5.376 -0.312 9.382 271 HB2 PRO 36 2HB PRO 36 5.844 2.131 10.931 272 HB3 PRO 36 1HB PRO 36 6.167 0.430 11.387 273 HG2 PRO 36 2HG PRO 36 7.955 2.436 10.516 274 HG3 PRO 36 1HG PRO 36 8.300 0.760 10.966 275 HD2 PRO 36 2HD PRO 36 8.578 1.792 8.470 276 HD3 PRO 36 1HD PRO 36 8.395 0.081 8.843 277 H HIS 37 H HIS 37 5.038 2.782 7.880 278 HA HIS 37 HA HIS 37 2.356 3.014 8.962 279 HB2 HIS 37 1HB HIS 37 2.485 5.341 7.613 280 HB3 HIS 37 2HB HIS 37 3.010 5.259 9.317 281 HD1 HIS 37 HD1 HIS 37 5.334 6.266 9.571 282 HD2 HIS 37 HD2 HIS 37 4.424 5.092 5.715 283 HE1 HIS 37 HE1 HIS 37 7.304 7.001 8.206 284 HE2 HIS 37 HE2 HIS 37 6.551 6.611 5.837 285 H CYS 38 H CYS 38 3.905 3.279 5.737 286 HA CYS 38 HA CYS 38 1.750 3.230 4.286 287 HB2 CYS 38 2HB CYS 38 4.351 1.854 3.568 288 HB3 CYS 38 1HB CYS 38 3.215 2.726 2.563 289 HG CYS 38 HG CYS 38 3.602 5.108 3.651 290 H PHE 39 H PHE 39 3.790 0.467 5.285 291 HA PHE 39 HA PHE 39 1.916 -1.335 4.063 292 HB2 PHE 39 2HB PHE 39 4.642 -0.780 4.462 293 HB3 PHE 39 1HB PHE 39 4.557 -2.368 4.071 294 HD1 PHE 39 1HD PHE 39 2.424 -1.974 1.825 295 HD2 PHE 39 2HD PHE 39 5.875 0.083 3.089 296 HE1 PHE 39 1HE PHE 39 2.772 -1.128 -0.426 297 HE2 PHE 39 2HE PHE 39 6.258 0.897 1.144 298 HZ PHE 39 HZ PHE 39 4.669 0.372 -0.886 299 H SER 40 H SER 40 1.643 -3.357 5.116 300 HA SER 40 HA SER 40 1.915 -3.606 8.132 301 HB2 SER 40 1HB SER 40 0.415 -5.060 6.055 302 HB3 SER 40 2HB SER 40 0.484 -5.434 7.780 303 HG SER 40 HG SER 40 -1.354 -3.950 6.670 304 H ALA 41 H ALA 41 1.573 -6.356 6.519 305 HA ALA 41 HA ALA 41 3.136 -7.705 5.235 306 HB1 ALA 41 1HB ALA 41 4.695 -6.656 7.443 307 HB2 ALA 41 2HB ALA 41 4.870 -6.298 5.733 308 HB3 ALA 41 3HB ALA 41 5.388 -7.933 6.356 309 H GLU 42 H GLU 42 2.727 -6.797 8.327 310 HA GLU 42 HA GLU 42 2.452 -9.075 9.851 311 HB2 GLU 42 1HB GLU 42 1.497 -6.525 9.561 312 HB3 GLU 42 2HB GLU 42 0.983 -7.249 10.904 313 HG2 GLU 42 1HG GLU 42 3.658 -6.223 10.048 314 HG3 GLU 42 2HG GLU 42 2.926 -5.970 11.634 315 H GLY 43 H GLY 43 0.632 -7.048 8.210 316 HA2 GLY 43 1HA GLY 43 -1.866 -8.288 8.998 317 HA3 GLY 43 2HA GLY 43 -1.624 -6.598 8.551 318 H GLU 44 H GLU 44 -0.075 -8.431 6.807 319 HA GLU 44 HA GLU 44 0.259 -8.738 4.458 320 HB2 GLU 44 1HB GLU 44 -1.824 -10.141 4.820 321 HB3 GLU 44 2HB GLU 44 -2.630 -8.595 4.489 322 HG2 GLU 44 1HG GLU 44 -1.648 -8.514 2.336 323 HG3 GLU 44 2HG GLU 44 -0.918 -10.125 2.539 324 H ALA 45 H ALA 45 -2.691 -6.796 4.524 325 HA ALA 45 HA ALA 45 -1.078 -4.923 3.068 326 HB1 ALA 45 1HB ALA 45 -3.869 -5.779 2.394 327 HB2 ALA 45 2HB ALA 45 -2.331 -6.181 1.582 328 HB3 ALA 45 3HB ALA 45 -2.911 -4.499 1.565 329 H ARG 46 H ARG 46 -2.805 -2.905 2.686 330 HA ARG 46 HA ARG 46 -4.193 -1.976 4.913 331 HB2 ARG 46 1HB ARG 46 -1.815 -2.025 5.810 332 HB3 ARG 46 2HB ARG 46 -1.339 -1.003 4.472 333 HG2 ARG 46 1HG ARG 46 -2.721 0.793 5.330 334 HG3 ARG 46 2HG ARG 46 -3.274 -0.245 6.650 335 HD2 ARG 46 1HD ARG 46 -0.447 0.644 6.123 336 HD3 ARG 46 2HD ARG 46 -1.506 1.234 7.404 337 HE ARG 46 HE ARG 46 -1.301 -1.551 7.594 338 HH11 ARG 46 1HH1 ARG 46 0.680 1.283 8.036 339 HH12 ARG 46 2HH1 ARG 46 1.724 0.605 9.201 340 HH21 ARG 46 1HH2 ARG 46 0.082 -2.542 9.197 341 HH22 ARG 46 2HH2 ARG 46 1.370 -1.637 9.883 342 HA PRO 47 HA PRO 47 -5.039 0.652 1.367 343 HB2 PRO 47 2HB PRO 47 -5.157 3.028 3.167 344 HB3 PRO 47 1HB PRO 47 -6.433 2.444 2.055 345 HG2 PRO 47 2HG PRO 47 -6.636 2.127 4.685 346 HG3 PRO 47 1HG PRO 47 -7.234 0.919 3.534 347 HD2 PRO 47 2HD PRO 47 -4.837 0.815 5.279 348 HD3 PRO 47 1HD PRO 47 -5.894 -0.495 4.723 349 H LEU 48 H LEU 48 -3.773 1.655 -0.059 350 HA LEU 48 HA LEU 48 -1.383 3.084 0.643 351 HB2 LEU 48 1HB LEU 48 -0.434 1.024 0.778 352 HB3 LEU 48 2HB LEU 48 -1.563 0.200 -0.236 353 HG LEU 48 HG LEU 48 -0.484 1.737 -1.916 354 HD11 LEU 48 1HD1 LEU 48 1.264 2.690 -0.592 355 HD12 LEU 48 2HD1 LEU 48 2.003 1.285 -1.466 356 HD13 LEU 48 3HD1 LEU 48 1.433 1.089 0.182 357 HD21 LEU 48 1HD2 LEU 48 1.209 -0.217 -2.241 358 HD22 LEU 48 2HD2 LEU 48 -0.473 -0.213 -2.679 359 HD23 LEU 48 3HD2 LEU 48 0.031 -0.940 -1.115 360 H LYS 49 H LYS 49 -0.431 3.750 -1.730 361 HA LYS 49 HA LYS 49 -2.675 4.005 -3.453 362 HB2 LYS 49 1HB LYS 49 -0.439 5.716 -2.877 363 HB3 LYS 49 2HB LYS 49 -0.698 5.510 -4.569 364 HG2 LYS 49 1HG LYS 49 -2.895 6.442 -2.717 365 HG3 LYS 49 2HG LYS 49 -1.961 7.296 -3.950 366 HD2 LYS 49 1HD LYS 49 -3.375 4.958 -4.989 367 HD3 LYS 49 2HD LYS 49 -4.394 6.280 -4.421 368 HE2 LYS 49 1HE LYS 49 -2.126 6.509 -6.404 369 HE3 LYS 49 2HE LYS 49 -3.843 6.491 -6.800 370 HZ1 LYS 49 1HZ LYS 49 -2.407 8.614 -5.252 371 HZ2 LYS 49 2HZ LYS 49 -4.036 8.507 -5.322 372 HZ3 LYS 49 3HZ LYS 49 -3.213 8.818 -6.724 373 H ILE 50 H ILE 50 -1.399 4.028 -5.808 374 HA ILE 50 HA ILE 50 0.559 1.867 -5.711 375 HB ILE 50 HB ILE 50 -1.689 2.301 -7.472 376 HG12 ILE 50 1HG1 ILE 50 0.021 0.007 -6.523 377 HG13 ILE 50 2HG1 ILE 50 -1.455 0.618 -5.786 378 HG21 ILE 50 1HG2 ILE 50 0.164 2.839 -8.949 379 HG22 ILE 50 2HG2 ILE 50 -0.489 1.195 -9.384 380 HG23 ILE 50 3HG2 ILE 50 0.946 1.417 -8.303 381 HD11 ILE 50 1HD1 ILE 50 -1.175 -0.584 -8.463 382 HD12 ILE 50 2HD1 ILE 50 -2.666 -0.005 -7.637 383 HD13 ILE 50 3HD1 ILE 50 -1.729 -1.423 -6.992 384 H GLY 51 H GLY 51 0.267 4.913 -6.823 385 HA2 GLY 51 1HA GLY 51 2.728 4.908 -8.377 386 HA3 GLY 51 2HA GLY 51 1.870 6.342 -7.836 387 H ILE 52 H ILE 52 2.105 5.189 -4.861 388 HA ILE 52 HA ILE 52 4.253 6.065 -3.739 389 HB ILE 52 HB ILE 52 2.675 4.913 -2.409 390 HG12 ILE 52 1HG1 ILE 52 5.202 3.564 -2.898 391 HG13 ILE 52 2HG1 ILE 52 4.854 4.733 -1.733 392 HG21 ILE 52 1HG2 ILE 52 3.232 2.573 -4.233 393 HG22 ILE 52 2HG2 ILE 52 1.642 3.397 -4.061 394 HG23 ILE 52 3HG2 ILE 52 2.385 2.515 -2.699 395 HD11 ILE 52 1HD1 ILE 52 3.625 3.050 -0.498 396 HD12 ILE 52 2HD1 ILE 52 5.081 2.252 -1.323 397 HD13 ILE 52 3HD1 ILE 52 3.560 2.102 -1.996 398 H PHE 53 H PHE 53 4.074 3.110 -5.708 399 HA PHE 53 HA PHE 53 6.110 1.710 -4.857 400 HB2 PHE 53 2HB PHE 53 4.845 0.915 -6.430 401 HB3 PHE 53 1HB PHE 53 4.936 2.291 -7.501 402 HD1 PHE 53 1HD PHE 53 6.684 2.263 -9.227 403 HD2 PHE 53 2HD PHE 53 6.730 -0.114 -5.882 404 HE1 PHE 53 1HE PHE 53 8.781 0.984 -10.115 405 HE2 PHE 53 2HE PHE 53 8.422 -1.397 -6.697 406 HZ PHE 53 HZ PHE 53 9.570 -0.917 -8.713 407 H GLN 54 H GLN 54 6.154 4.198 -7.102 408 HA GLN 54 HA GLN 54 8.814 4.587 -7.916 409 HB2 GLN 54 1HB GLN 54 6.633 5.400 -8.742 410 HB3 GLN 54 2HB GLN 54 6.499 5.757 -7.201 411 HG2 GLN 54 1HG GLN 54 8.394 7.259 -7.595 412 HG3 GLN 54 2HG GLN 54 7.245 8.022 -8.882 413 HE21 GLN 54 1HE2 GLN 54 7.328 7.406 -5.181 414 HE22 GLN 54 2HE2 GLN 54 5.969 6.601 -5.815 415 H ASP 55 H ASP 55 7.494 5.107 -5.127 416 HA ASP 55 HA ASP 55 9.274 7.158 -4.349 417 HB2 ASP 55 1HB ASP 55 6.527 6.721 -3.502 418 HB3 ASP 55 2HB ASP 55 7.414 6.091 -2.531 419 H LEU 56 H LEU 56 7.999 4.285 -3.466 420 HA LEU 56 HA LEU 56 9.432 3.257 -1.375 421 HB2 LEU 56 1HB LEU 56 8.231 2.517 -3.954 422 HB3 LEU 56 2HB LEU 56 8.122 2.942 -2.325 423 HG LEU 56 HG LEU 56 8.619 0.338 -2.468 424 HD11 LEU 56 1HD1 LEU 56 8.443 2.066 -0.471 425 HD12 LEU 56 2HD1 LEU 56 7.238 0.731 -0.599 426 HD13 LEU 56 3HD1 LEU 56 6.888 2.320 -1.326 427 HD21 LEU 56 1HD2 LEU 56 7.000 0.548 -3.883 428 HD22 LEU 56 2HD2 LEU 56 6.646 2.157 -3.055 429 HD23 LEU 56 3HD2 LEU 56 6.191 0.677 -2.254 430 H VAL 57 H VAL 57 9.773 3.204 -4.629 431 HA VAL 57 HA VAL 57 12.086 1.843 -4.621 432 HB VAL 57 HB VAL 57 12.434 2.348 -6.906 433 HG11 VAL 57 1HG1 VAL 57 9.610 2.194 -6.776 434 HG12 VAL 57 2HG1 VAL 57 10.315 1.448 -5.397 435 HG13 VAL 57 3HG1 VAL 57 10.793 0.795 -7.061 436 HG21 VAL 57 1HG2 VAL 57 10.781 3.654 -8.055 437 HG22 VAL 57 2HG2 VAL 57 11.905 4.548 -6.932 438 HG23 VAL 57 3HG2 VAL 57 10.243 4.345 -6.486 439 H ASP 58 H ASP 58 11.618 5.269 -4.521 440 HA ASP 58 HA ASP 58 13.908 6.465 -5.022 441 HB2 ASP 58 1HB ASP 58 11.752 6.998 -3.484 442 HB3 ASP 58 2HB ASP 58 12.854 6.455 -2.407 443 H ARG 59 H ARG 59 12.879 4.553 -2.401 444 HA ARG 59 HA ARG 59 15.042 4.765 -0.617 445 HB2 ARG 59 1HB ARG 59 12.340 4.398 -0.746 446 HB3 ARG 59 2HB ARG 59 13.025 3.647 0.740 447 HG2 ARG 59 1HG ARG 59 13.025 5.782 1.655 448 HG3 ARG 59 2HG ARG 59 13.645 6.497 0.155 449 HD2 ARG 59 1HD ARG 59 11.541 6.492 -0.839 450 HD3 ARG 59 2HD ARG 59 10.784 5.512 0.380 451 HE ARG 59 HE ARG 59 11.161 7.493 1.844 452 HH11 ARG 59 1HH1 ARG 59 11.508 8.255 -1.534 453 HH12 ARG 59 2HH1 ARG 59 10.141 9.262 -1.665 454 HH21 ARG 59 1HH2 ARG 59 9.319 9.221 1.767 455 HH22 ARG 59 2HH2 ARG 59 8.961 9.827 0.205 456 H VAL 60 H VAL 60 12.507 2.388 -1.595 457 HA VAL 60 HA VAL 60 13.210 0.535 0.073 458 HB VAL 60 HB VAL 60 11.859 -0.844 -1.461 459 HG11 VAL 60 1HG1 VAL 60 11.340 1.866 -0.591 460 HG12 VAL 60 2HG1 VAL 60 10.792 0.200 0.029 461 HG13 VAL 60 3HG1 VAL 60 10.253 0.909 -1.651 462 HG21 VAL 60 1HG2 VAL 60 12.375 1.366 -2.993 463 HG22 VAL 60 2HG2 VAL 60 10.704 0.882 -3.009 464 HG23 VAL 60 3HG2 VAL 60 11.994 -0.270 -3.544 465 H ALA 61 H ALA 61 14.075 0.886 -3.121 466 HA ALA 61 HA ALA 61 13.824 -1.628 -3.775 467 HB1 ALA 61 1HB ALA 61 14.605 -1.209 -5.815 468 HB2 ALA 61 2HB ALA 61 15.473 0.258 -5.231 469 HB3 ALA 61 3HB ALA 61 13.692 0.130 -5.120 470 H GLY 62 H GLY 62 16.712 -0.527 -4.177 471 HA2 GLY 62 1HA GLY 62 17.447 -3.250 -3.749 472 HA3 GLY 62 2HA GLY 62 18.372 -2.344 -4.865 473 H GLU 63 H GLU 63 17.183 -1.750 -1.873 474 HA GLU 63 HA GLU 63 19.432 -1.097 -0.356 475 HB2 GLU 63 1HB GLU 63 16.752 -2.127 0.180 476 HB3 GLU 63 2HB GLU 63 17.794 -2.079 1.543 477 HG2 GLU 63 1HG GLU 63 17.999 0.495 0.666 478 HG3 GLU 63 2HG GLU 63 16.482 -0.021 -0.113 479 H MET 64 H MET 64 17.568 -3.855 -1.108 480 HA MET 64 HA MET 64 19.505 -5.740 -0.073 481 HB2 MET 64 1HB MET 64 16.817 -6.465 0.176 482 HB3 MET 64 2HB MET 64 18.165 -6.915 1.109 483 HG2 MET 64 1HG MET 64 18.115 -5.122 2.520 484 HG3 MET 64 2HG MET 64 17.088 -4.156 1.458 485 HE1 MET 64 1HE MET 64 15.187 -5.624 0.402 486 HE2 MET 64 2HE MET 64 14.216 -4.486 1.368 487 HE3 MET 64 3HE MET 64 13.804 -6.193 1.369 488 H ASN 65 H ASN 65 16.481 -5.708 -1.240 489 HA ASN 65 HA ASN 65 17.173 -7.862 -2.987 490 HB2 ASN 65 1HB ASN 65 15.200 -7.234 -1.148 491 HB3 ASN 65 2HB ASN 65 14.593 -8.468 -2.076 492 HD21 ASN 65 1HD2 ASN 65 15.815 -9.304 1.059 493 HD22 ASN 65 2HD2 ASN 65 14.756 -8.244 0.399 494 H LEU 66 H LEU 66 16.505 -5.116 -4.059 495 HA LEU 66 HA LEU 66 14.124 -5.828 -5.796 496 HB2 LEU 66 1HB LEU 66 14.765 -4.131 -3.895 497 HB3 LEU 66 2HB LEU 66 13.919 -3.108 -4.921 498 HG LEU 66 HG LEU 66 13.549 -4.796 -2.642 499 HD11 LEU 66 1HD1 LEU 66 11.976 -2.703 -3.946 500 HD12 LEU 66 2HD1 LEU 66 12.987 -2.650 -2.510 501 HD13 LEU 66 3HD1 LEU 66 11.429 -3.530 -2.470 502 HD21 LEU 66 1HD2 LEU 66 11.554 -5.324 -4.815 503 HD22 LEU 66 2HD2 LEU 66 11.492 -5.876 -3.076 504 HD23 LEU 66 3HD2 LEU 66 12.942 -6.199 -4.140 505 H SER 67 H SER 67 14.253 -5.410 -7.579 506 HA SER 67 HA SER 67 16.108 -3.496 -8.797 507 HB2 SER 67 1HB SER 67 16.328 -5.782 -9.427 508 HB3 SER 67 2HB SER 67 14.588 -5.930 -9.623 509 HG SER 67 HG SER 67 15.015 -4.207 -11.365 510 H LYS 68 H LYS 68 13.638 -2.748 -7.451 511 HA LYS 68 HA LYS 68 11.629 -1.587 -7.514 512 HB2 LYS 68 1HB LYS 68 11.807 -0.948 -10.292 513 HB3 LYS 68 2HB LYS 68 11.118 0.059 -9.085 514 HG2 LYS 68 1HG LYS 68 13.907 -0.065 -10.085 515 HG3 LYS 68 2HG LYS 68 12.895 1.339 -9.714 516 HD2 LYS 68 1HD LYS 68 13.084 0.793 -7.321 517 HD3 LYS 68 2HD LYS 68 13.700 -0.649 -7.957 518 HE2 LYS 68 1HE LYS 68 15.664 0.736 -7.150 519 HE3 LYS 68 2HE LYS 68 15.690 0.696 -8.908 520 HZ1 LYS 68 1HZ LYS 68 14.635 2.926 -7.223 521 HZ2 LYS 68 2HZ LYS 68 14.536 2.883 -8.904 522 HZ3 LYS 68 3HZ LYS 68 16.042 2.955 -8.148 523 H THR 69 H THR 69 11.858 -3.499 -10.545 524 HA THR 69 HA THR 69 9.101 -3.206 -10.756 525 HB THR 69 HB THR 69 9.281 -4.529 -12.415 526 HG1 THR 69 1HG THR 69 11.552 -5.499 -12.967 527 HG21 THR 69 1HG2 THR 69 11.579 -2.732 -12.210 528 HG22 THR 69 2HG2 THR 69 9.963 -2.306 -12.823 529 HG23 THR 69 3HG2 THR 69 11.077 -3.306 -13.805 530 H GLN 70 H GLN 70 11.205 -5.317 -9.389 531 HA GLN 70 HA GLN 70 9.333 -7.506 -8.979 532 HB2 GLN 70 1HB GLN 70 11.080 -8.342 -7.443 533 HB3 GLN 70 2HB GLN 70 11.726 -8.100 -9.035 534 HG2 GLN 70 1HG GLN 70 12.665 -6.058 -8.319 535 HG3 GLN 70 2HG GLN 70 11.697 -6.386 -6.848 536 HE21 GLN 70 1HE2 GLN 70 13.576 -8.481 -5.418 537 HE22 GLN 70 2HE2 GLN 70 12.011 -7.795 -5.586 538 H LEU 71 H LEU 71 9.733 -4.551 -7.670 539 HA LEU 71 HA LEU 71 8.415 -5.081 -5.095 540 HB2 LEU 71 1HB LEU 71 10.579 -3.725 -5.489 541 HB3 LEU 71 2HB LEU 71 9.719 -2.615 -6.336 542 HG LEU 71 HG LEU 71 10.178 -2.874 -3.641 543 HD11 LEU 71 1HD1 LEU 71 8.809 -0.681 -5.062 544 HD12 LEU 71 2HD1 LEU 71 10.569 -0.933 -5.037 545 HD13 LEU 71 3HD1 LEU 71 9.755 -0.569 -3.553 546 HD21 LEU 71 1HD2 LEU 71 7.931 -1.925 -3.054 547 HD22 LEU 71 2HD2 LEU 71 8.280 -3.678 -3.086 548 HD23 LEU 71 3HD2 LEU 71 7.419 -2.930 -4.434 549 H ARG 72 H ARG 72 8.154 -3.414 -8.233 550 HA ARG 72 HA ARG 72 5.860 -2.117 -7.435 551 HB2 ARG 72 1HB ARG 72 5.462 -1.561 -9.907 552 HB3 ARG 72 2HB ARG 72 7.159 -1.452 -9.417 553 HG2 ARG 72 1HG ARG 72 7.352 -2.435 -11.382 554 HG3 ARG 72 2HG ARG 72 7.406 -3.638 -10.038 555 HD2 ARG 72 1HD ARG 72 6.062 -4.700 -11.748 556 HD3 ARG 72 2HD ARG 72 5.055 -3.988 -10.449 557 HE ARG 72 HE ARG 72 5.101 -2.029 -12.251 558 HH11 ARG 72 1HH1 ARG 72 4.238 -5.460 -12.591 559 HH12 ARG 72 2HH1 ARG 72 3.194 -5.248 -13.909 560 HH21 ARG 72 1HH2 ARG 72 3.624 -1.711 -14.138 561 HH22 ARG 72 2HH2 ARG 72 2.841 -3.052 -14.802 562 H SER 73 H SER 73 6.443 -5.359 -8.373 563 HA SER 73 HA SER 73 3.955 -6.071 -9.240 564 HB2 SER 73 1HB SER 73 5.182 -8.111 -9.096 565 HB3 SER 73 2HB SER 73 6.077 -6.662 -9.809 566 HG SER 73 HG SER 73 7.127 -8.172 -8.202 567 H ALA 74 H ALA 74 5.633 -5.734 -6.512 568 HA ALA 74 HA ALA 74 4.017 -7.376 -4.634 569 HB1 ALA 74 1HB ALA 74 6.385 -6.846 -4.092 570 HB2 ALA 74 2HB ALA 74 5.319 -6.151 -2.893 571 HB3 ALA 74 3HB ALA 74 6.003 -5.143 -4.161 572 H LEU 75 H LEU 75 3.979 -4.566 -6.080 573 HA LEU 75 HA LEU 75 2.234 -3.281 -4.161 574 HB2 LEU 75 1HB LEU 75 4.334 -3.219 -5.044 575 HB3 LEU 75 2HB LEU 75 4.173 -2.201 -6.237 576 HG LEU 75 HG LEU 75 3.846 -2.014 -3.223 577 HD11 LEU 75 1HD1 LEU 75 5.920 -1.943 -4.836 578 HD12 LEU 75 2HD1 LEU 75 5.719 -0.964 -3.353 579 HD13 LEU 75 3HD1 LEU 75 5.297 -0.264 -4.922 580 HD21 LEU 75 1HD2 LEU 75 3.281 0.116 -3.138 581 HD22 LEU 75 2HD2 LEU 75 2.240 -0.326 -4.524 582 HD23 LEU 75 3HD2 LEU 75 3.878 0.448 -4.737 583 H ARG 76 H ARG 76 2.040 -4.969 -6.976 584 HA ARG 76 HA ARG 76 -0.573 -3.822 -7.427 585 HB2 ARG 76 1HB ARG 76 1.099 -5.578 -9.196 586 HB3 ARG 76 2HB ARG 76 -0.642 -5.607 -9.375 587 HG2 ARG 76 1HG ARG 76 0.269 -4.146 -11.038 588 HG3 ARG 76 2HG ARG 76 -0.564 -3.152 -9.841 589 HD2 ARG 76 1HD ARG 76 1.978 -3.784 -9.124 590 HD3 ARG 76 2HD ARG 76 2.113 -2.826 -10.669 591 HE ARG 76 HE ARG 76 0.824 -2.094 -8.095 592 HH11 ARG 76 1HH1 ARG 76 2.719 -0.937 -10.801 593 HH12 ARG 76 2HH1 ARG 76 3.420 0.386 -9.960 594 HH21 ARG 76 1HH2 ARG 76 1.805 -0.416 -6.909 595 HH22 ARG 76 2HH2 ARG 76 2.842 0.731 -7.619 596 H LEU 77 H LEU 77 1.282 -6.295 -6.166 597 HA LEU 77 HA LEU 77 -0.322 -8.606 -6.288 598 HB2 LEU 77 1HB LEU 77 2.283 -8.292 -5.603 599 HB3 LEU 77 2HB LEU 77 1.684 -7.856 -4.241 600 HG LEU 77 HG LEU 77 0.387 -10.211 -4.517 601 HD11 LEU 77 1HD1 LEU 77 2.487 -11.569 -4.601 602 HD12 LEU 77 2HD1 LEU 77 3.297 -10.004 -4.443 603 HD13 LEU 77 3HD1 LEU 77 2.569 -10.439 -6.018 604 HD21 LEU 77 1HD2 LEU 77 2.580 -9.022 -3.189 605 HD22 LEU 77 2HD2 LEU 77 1.814 -10.505 -2.498 606 HD23 LEU 77 3HD2 LEU 77 0.931 -8.925 -2.567 607 H TYR 78 H TYR 78 0.659 -6.671 -3.577 608 HA TYR 78 HA TYR 78 -1.328 -7.944 -2.079 609 HB2 TYR 78 2HB TYR 78 -0.250 -7.304 -0.142 610 HB3 TYR 78 1HB TYR 78 1.070 -7.090 -1.241 611 HD1 TYR 78 1HD TYR 78 -0.249 -5.881 1.406 612 HD2 TYR 78 2HD TYR 78 0.806 -4.658 -2.434 613 HE1 TYR 78 1HE TYR 78 -0.074 -3.613 2.208 614 HE2 TYR 78 2HE TYR 78 0.948 -2.388 -1.728 615 HH TYR 78 HH TYR 78 0.494 -1.669 1.788 616 H THR 79 H THR 79 -1.056 -5.352 -3.986 617 HA THR 79 HA THR 79 -3.127 -3.653 -2.777 618 HB THR 79 HB THR 79 -2.777 -2.112 -4.509 619 HG1 THR 79 1HG THR 79 -2.740 -3.520 -6.296 620 HG21 THR 79 1HG2 THR 79 -1.120 -2.317 -2.883 621 HG22 THR 79 2HG2 THR 79 -0.346 -1.892 -4.439 622 HG23 THR 79 3HG2 THR 79 -0.296 -3.552 -3.814 623 H SER 80 H SER 80 -3.083 -6.371 -4.734 624 HA SER 80 HA SER 80 -5.750 -5.861 -5.701 625 HB2 SER 80 1HB SER 80 -3.951 -8.292 -5.983 626 HB3 SER 80 2HB SER 80 -5.565 -8.157 -6.681 627 HG SER 80 HG SER 80 -3.235 -6.688 -7.299 628 H SER 81 H SER 81 -4.409 -6.492 -2.784 629 HA SER 81 HA SER 81 -6.285 -8.494 -2.016 630 HB2 SER 81 1HB SER 81 -4.347 -8.558 -0.848 631 HB3 SER 81 2HB SER 81 -4.355 -6.779 -0.487 632 HG SER 81 HG SER 81 -4.989 -8.586 1.094 633 H TRP 82 H TRP 82 -7.602 -8.011 -0.491 634 HA TRP 82 HA TRP 82 -9.377 -5.640 -1.118 635 HB2 TRP 82 2HB TRP 82 -10.143 -8.245 -0.411 636 HB3 TRP 82 1HB TRP 82 -10.133 -7.364 1.096 637 HD1 TRP 82 1HD TRP 82 -11.017 -5.590 -1.978 638 HE1 TRP 82 1HE TRP 82 -13.470 -5.225 -2.036 639 HE3 TRP 82 3HE TRP 82 -12.189 -8.364 1.965 640 HZ2 TRP 82 2HZ TRP 82 -15.642 -5.927 -0.542 641 HZ3 TRP 82 3HZ TRP 82 -14.480 -8.428 2.611 642 HH2 TRP 82 2HH TRP 82 -16.218 -7.242 1.294 643 H ARG 83 H ARG 83 -7.901 -6.941 1.564 644 HA ARG 83 HA ARG 83 -8.623 -4.792 3.164 645 HB2 ARG 83 1HB ARG 83 -7.206 -5.635 4.783 646 HB3 ARG 83 2HB ARG 83 -8.224 -6.816 3.975 647 HG2 ARG 83 1HG ARG 83 -6.327 -7.620 2.634 648 HG3 ARG 83 2HG ARG 83 -5.260 -6.569 3.577 649 HD2 ARG 83 1HD ARG 83 -5.431 -7.832 5.463 650 HD3 ARG 83 2HD ARG 83 -7.053 -8.389 5.045 651 HE ARG 83 HE ARG 83 -4.770 -9.347 3.486 652 HH11 ARG 83 1HH1 ARG 83 -7.359 -10.073 5.774 653 HH12 ARG 83 2HH1 ARG 83 -7.294 -11.753 5.560 654 HH21 ARG 83 1HH2 ARG 83 -4.558 -11.617 3.248 655 HH22 ARG 83 2HH2 ARG 83 -5.580 -12.687 4.089 656 H TYR 84 H TYR 84 -6.445 -4.974 0.890 657 HA TYR 84 HA TYR 84 -4.855 -2.702 1.503 658 HB2 TYR 84 2HB TYR 84 -4.327 -4.237 -0.367 659 HB3 TYR 84 1HB TYR 84 -5.894 -3.963 -0.967 660 HD1 TYR 84 1HD TYR 84 -2.650 -1.849 -0.522 661 HD2 TYR 84 2HD TYR 84 -6.430 -2.545 -2.423 662 HE1 TYR 84 1HE TYR 84 -2.204 -0.164 -2.027 663 HE2 TYR 84 2HE TYR 84 -5.912 -0.757 -4.023 664 HH TYR 84 HH TYR 84 -2.740 0.562 -4.219 665 H LEU 85 H LEU 85 -7.678 -3.115 -0.547 666 HA LEU 85 HA LEU 85 -8.054 -0.343 -0.582 667 HB2 LEU 85 1HB LEU 85 -10.029 -0.667 -1.843 668 HB3 LEU 85 2HB LEU 85 -8.360 -0.916 -2.560 669 HG LEU 85 HG LEU 85 -10.266 -2.288 -3.557 670 HD11 LEU 85 1HD1 LEU 85 -8.092 -3.311 -3.366 671 HD12 LEU 85 2HD1 LEU 85 -9.453 -4.468 -3.111 672 HD13 LEU 85 3HD1 LEU 85 -8.583 -3.770 -1.728 673 HD21 LEU 85 1HD2 LEU 85 -11.565 -3.738 -2.171 674 HD22 LEU 85 2HD2 LEU 85 -11.617 -2.140 -1.469 675 HD23 LEU 85 3HD2 LEU 85 -10.564 -3.335 -0.795 676 H TYR 86 H TYR 86 -8.989 -2.025 1.643 677 HA TYR 86 HA TYR 86 -11.527 -1.656 2.249 678 HB2 TYR 86 2HB TYR 86 -9.109 -1.854 3.292 679 HB3 TYR 86 1HB TYR 86 -10.060 -1.171 4.570 680 HD1 TYR 86 1HD TYR 86 -10.523 -3.578 1.832 681 HD2 TYR 86 2HD TYR 86 -10.371 -3.156 6.051 682 HE1 TYR 86 1HE TYR 86 -11.136 -5.671 1.974 683 HE2 TYR 86 2HE TYR 86 -11.050 -5.464 6.312 684 HH TYR 86 HH TYR 86 -11.178 -7.684 3.650 685 H GLY 87 H GLY 87 -9.078 0.526 1.812 686 HA2 GLY 87 1HA GLY 87 -10.593 2.781 1.500 687 HA3 GLY 87 2HA GLY 87 -9.697 3.070 2.991 688 H VAL 88 H VAL 88 -9.678 2.027 -0.344 689 HA VAL 88 HA VAL 88 -7.424 3.749 -0.692 690 HB VAL 88 HB VAL 88 -7.689 1.098 -2.055 691 HG11 VAL 88 1HG1 VAL 88 -6.650 2.873 -3.446 692 HG12 VAL 88 2HG1 VAL 88 -5.466 1.645 -3.005 693 HG13 VAL 88 3HG1 VAL 88 -5.465 3.191 -2.172 694 HG21 VAL 88 1HG2 VAL 88 -5.628 2.020 -0.135 695 HG22 VAL 88 2HG2 VAL 88 -5.935 0.328 -0.729 696 HG23 VAL 88 3HG2 VAL 88 -7.109 1.194 0.281 697 H LYS 89 H LYS 89 -8.197 5.052 -2.388 698 HA LYS 89 HA LYS 89 -8.464 4.151 -4.899 699 HB2 LYS 89 1HB LYS 89 -10.727 3.379 -4.442 700 HB3 LYS 89 2HB LYS 89 -11.277 4.902 -3.861 701 HG2 LYS 89 1HG LYS 89 -11.141 5.858 -6.061 702 HG3 LYS 89 2HG LYS 89 -10.308 4.429 -6.672 703 HD2 LYS 89 1HD LYS 89 -13.057 4.246 -5.459 704 HD3 LYS 89 2HD LYS 89 -12.833 4.665 -7.154 705 HE2 LYS 89 1HE LYS 89 -13.282 2.260 -6.889 706 HE3 LYS 89 2HE LYS 89 -11.679 2.536 -7.546 707 HZ1 LYS 89 1HZ LYS 89 -11.772 0.769 -5.830 708 HZ2 LYS 89 2HZ LYS 89 -12.231 1.903 -4.674 709 HZ3 LYS 89 3HZ LYS 89 -10.720 2.003 -5.391 710 HA PRO 90 HA PRO 90 -7.941 8.779 -4.504 711 HB2 PRO 90 2HB PRO 90 -9.025 9.525 -2.017 712 HB3 PRO 90 1HB PRO 90 -9.526 10.229 -3.595 713 HG2 PRO 90 2HG PRO 90 -11.250 8.860 -2.098 714 HG3 PRO 90 1HG PRO 90 -11.203 8.618 -3.861 715 HD2 PRO 90 2HD PRO 90 -9.922 6.967 -1.732 716 HD3 PRO 90 1HD PRO 90 -10.956 6.476 -3.096 717 H GLY 91 H GLY 91 -7.494 10.132 -1.911 718 HA2 GLY 91 1HA GLY 91 -5.374 8.853 -1.456 719 HA3 GLY 91 2HA GLY 91 -5.450 10.404 -0.672 720 H ALA 92 H ALA 92 -7.159 7.949 -0.741 721 HA ALA 92 HA ALA 92 -7.794 6.978 1.868 722 HB1 ALA 92 1HB ALA 92 -9.118 6.511 0.057 723 HB2 ALA 92 2HB ALA 92 -8.449 4.889 0.536 724 HB3 ALA 92 3HB ALA 92 -7.777 5.835 -0.806 725 H THR 93 H THR 93 -5.456 6.175 -0.284 726 HA THR 93 HA THR 93 -3.906 4.205 0.629 727 HB THR 93 HB THR 93 -2.933 5.381 -1.131 728 HG1 THR 93 1HG THR 93 -1.045 5.976 -0.518 729 HG21 THR 93 1HG2 THR 93 -2.663 7.844 -1.110 730 HG22 THR 93 2HG2 THR 93 -3.639 7.878 0.334 731 HG23 THR 93 3HG2 THR 93 -4.297 7.189 -1.140 732 H ARG 94 H ARG 94 -4.172 7.436 1.881 733 HA ARG 94 HA ARG 94 -3.371 8.620 3.453 734 HB2 ARG 94 1HB ARG 94 -3.337 5.997 4.803 735 HB3 ARG 94 2HB ARG 94 -2.464 7.429 5.430 736 HG2 ARG 94 1HG ARG 94 -4.602 7.341 6.558 737 HG3 ARG 94 2HG ARG 94 -4.707 8.618 5.357 738 HD2 ARG 94 1HD ARG 94 -6.011 7.004 3.843 739 HD3 ARG 94 2HD ARG 94 -5.780 5.822 5.113 740 HE ARG 94 HE ARG 94 -6.915 7.923 6.390 741 HH11 ARG 94 1HH1 ARG 94 -7.775 5.771 3.754 742 HH12 ARG 94 2HH1 ARG 94 -9.468 5.937 3.947 743 HH21 ARG 94 1HH2 ARG 94 -9.061 8.148 6.755 744 HH22 ARG 94 2HH2 ARG 94 -10.280 7.418 5.771 745 H VAL 95 H VAL 95 -1.352 6.724 1.651 746 HA VAL 95 HA VAL 95 0.898 8.142 2.648 747 HB VAL 95 HB VAL 95 2.120 6.529 3.560 748 HG11 VAL 95 1HG1 VAL 95 0.070 6.334 4.611 749 HG12 VAL 95 2HG1 VAL 95 0.911 4.758 4.608 750 HG13 VAL 95 3HG1 VAL 95 -0.442 5.156 3.387 751 HG21 VAL 95 1HG2 VAL 95 2.533 5.610 1.564 752 HG22 VAL 95 2HG2 VAL 95 1.015 4.666 1.545 753 HG23 VAL 95 3HG2 VAL 95 2.318 4.336 2.772 754 H ASP 96 H ASP 96 1.989 8.665 1.284 755 HA ASP 96 HA ASP 96 3.317 6.875 -0.745 756 HB2 ASP 96 1HB ASP 96 2.753 9.840 -1.139 757 HB3 ASP 96 2HB ASP 96 4.198 9.115 -1.833 758 H LEU 97 H LEU 97 3.974 6.119 0.904 759 HA LEU 97 HA LEU 97 4.936 5.701 2.656 760 HB2 LEU 97 1HB LEU 97 7.548 5.765 1.321 761 HB3 LEU 97 2HB LEU 97 6.673 4.809 2.344 762 HG LEU 97 HG LEU 97 5.097 5.041 0.212 763 HD11 LEU 97 1HD1 LEU 97 6.732 4.278 -1.467 764 HD12 LEU 97 2HD1 LEU 97 7.963 4.218 -0.209 765 HD13 LEU 97 3HD1 LEU 97 7.352 5.784 -0.749 766 HD21 LEU 97 1HD2 LEU 97 5.695 2.786 0.159 767 HD22 LEU 97 2HD2 LEU 97 5.365 3.347 1.855 768 HD23 LEU 97 3HD2 LEU 97 7.084 3.398 1.127 769 H ASP 98 H ASP 98 4.996 8.786 2.487 770 HA ASP 98 HA ASP 98 6.698 9.312 4.710 771 HB2 ASP 98 1HB ASP 98 6.003 11.032 2.827 772 HB3 ASP 98 2HB ASP 98 4.420 10.858 3.587 773 H GLY 99 H GLY 99 3.487 9.166 3.623 774 HA2 GLY 99 1HA GLY 99 1.861 7.929 4.860 775 HA3 GLY 99 2HA GLY 99 2.394 8.653 6.277 776 H ASN 100 H ASN 100 2.082 10.196 3.121 777 HA ASN 100 HA ASN 100 0.030 12.173 3.714 778 HB2 ASN 100 1HB ASN 100 2.271 11.531 1.893 779 HB3 ASN 100 2HB ASN 100 1.154 12.621 1.266 780 HD21 ASN 100 1HD2 ASN 100 3.867 14.202 2.660 781 HD22 ASN 100 2HD2 ASN 100 3.697 12.970 1.468 782 HA PRO 101 HA PRO 101 -2.594 9.133 1.740 783 HB2 PRO 101 2HB PRO 101 -4.202 11.483 0.863 784 HB3 PRO 101 1HB PRO 101 -4.561 10.208 1.964 785 HG2 PRO 101 2HG PRO 101 -4.029 12.609 2.987 786 HG3 PRO 101 1HG PRO 101 -3.156 11.212 3.725 787 HD2 PRO 101 2HD PRO 101 -2.474 12.639 1.376 788 HD3 PRO 101 1HD PRO 101 -1.451 13.010 2.649 789 H CYS 102 H CYS 102 -0.724 9.125 0.248 790 HA CYS 102 HA CYS 102 0.535 9.697 -1.481 791 HB2 CYS 102 2HB CYS 102 -0.355 8.198 -2.656 792 HB3 CYS 102 1HB CYS 102 -1.994 8.512 -2.691 793 HG CYS 102 HG CYS 102 0.619 9.601 -4.445 794 H GLY 103 H GLY 103 -1.162 11.567 -0.182 795 HA2 GLY 103 1HA GLY 103 -1.047 13.921 0.298 796 HA3 GLY 103 2HA GLY 103 -0.022 14.022 -1.119 797 H GLU 104 H GLU 104 -2.518 12.382 -1.624 798 HA GLU 104 HA GLU 104 -3.707 14.100 -3.544 799 HB2 GLU 104 1HB GLU 104 -3.607 12.033 -4.505 800 HB3 GLU 104 2HB GLU 104 -3.250 11.410 -2.896 801 HG2 GLU 104 1HG GLU 104 -5.281 10.954 -2.355 802 HG3 GLU 104 2HG GLU 104 -6.027 11.763 -3.794 803 H LEU 105 H LEU 105 -4.699 12.572 -0.386 804 HA LEU 105 HA LEU 105 -6.958 14.413 -0.426 805 HB2 LEU 105 1HB LEU 105 -7.430 11.900 -1.325 806 HB3 LEU 105 2HB LEU 105 -7.259 11.603 0.281 807 HG LEU 105 HG LEU 105 -9.141 13.822 -0.286 808 HD11 LEU 105 1HD1 LEU 105 -10.211 12.503 -1.800 809 HD12 LEU 105 2HD1 LEU 105 -10.737 11.621 -0.254 810 HD13 LEU 105 3HD1 LEU 105 -9.285 11.141 -1.172 811 HD21 LEU 105 1HD2 LEU 105 -9.930 11.734 1.450 812 HD22 LEU 105 2HD2 LEU 105 -9.498 13.470 1.677 813 HD23 LEU 105 3HD2 LEU 105 -8.234 12.283 1.635 814 H ASP 106 H ASP 106 -7.936 14.517 1.511 815 HA ASP 106 HA ASP 106 -6.565 14.775 4.050 816 HB2 ASP 106 1HB ASP 106 -8.362 16.376 3.374 817 HB3 ASP 106 2HB ASP 106 -9.220 15.100 2.633 818 H GLU 107 H GLU 107 -8.744 13.574 5.368 819 HA GLU 107 HA GLU 107 -8.963 10.837 4.288 820 HB2 GLU 107 1HB GLU 107 -8.128 9.822 6.121 821 HB3 GLU 107 2HB GLU 107 -7.527 11.488 6.377 822 HG2 GLU 107 1HG GLU 107 -9.064 12.037 7.863 823 HG3 GLU 107 2HG GLU 107 -10.199 10.903 7.275 824 H GLN 108 H GLN 108 -10.670 13.392 5.020 825 HA GLN 108 HA GLN 108 -13.104 11.905 5.701 826 HB2 GLN 108 1HB GLN 108 -12.249 14.056 6.944 827 HB3 GLN 108 2HB GLN 108 -12.749 14.783 5.411 828 HG2 GLN 108 1HG GLN 108 -14.946 14.084 5.643 829 HG3 GLN 108 2HG GLN 108 -14.452 12.954 6.918 830 HE21 GLN 108 1HE2 GLN 108 -13.951 16.088 9.024 831 HE22 GLN 108 2HE2 GLN 108 -12.841 14.974 8.307 832 H HIS 109 H HIS 109 -11.210 12.435 3.263 833 HA HIS 109 HA HIS 109 -13.681 12.081 1.841 834 HB2 HIS 109 1HB HIS 109 -11.165 13.031 1.073 835 HB3 HIS 109 2HB HIS 109 -12.508 13.115 -0.140 836 HD1 HIS 109 HD1 HIS 109 -14.479 14.583 2.107 837 HD2 HIS 109 HD2 HIS 109 -10.655 15.854 1.081 838 HE1 HIS 109 HE1 HIS 109 -14.361 16.974 2.801 839 HE2 HIS 109 HE2 HIS 109 -11.911 17.413 2.683 840 H VAL 110 H VAL 110 -10.834 10.927 2.614 841 HA VAL 110 HA VAL 110 -11.437 9.036 0.780 842 HB VAL 110 HB VAL 110 -9.429 7.693 1.673 843 HG11 VAL 110 1HG1 VAL 110 -9.512 10.372 0.518 844 HG12 VAL 110 2HG1 VAL 110 -9.856 8.864 -0.355 845 HG13 VAL 110 3HG1 VAL 110 -8.172 9.282 0.091 846 HG21 VAL 110 1HG2 VAL 110 -9.032 10.458 2.538 847 HG22 VAL 110 2HG2 VAL 110 -7.756 9.209 2.573 848 HG23 VAL 110 3HG2 VAL 110 -9.178 9.087 3.663 849 H GLU 111 H GLU 111 -12.329 9.874 3.101 850 HA GLU 111 HA GLU 111 -13.132 8.029 5.071 851 HB2 GLU 111 1HB GLU 111 -13.250 10.271 5.234 852 HB3 GLU 111 2HB GLU 111 -14.166 10.777 4.172 853 HG2 GLU 111 1HG GLU 111 -15.154 8.596 5.738 854 HG3 GLU 111 2HG GLU 111 -15.289 10.226 6.497 855 H HIS 112 H HIS 112 -14.329 9.002 1.993 856 HA HIS 112 HA HIS 112 -16.389 7.043 1.992 857 HB2 HIS 112 1HB HIS 112 -15.090 8.663 0.054 858 HB3 HIS 112 2HB HIS 112 -16.585 7.789 -0.422 859 HD1 HIS 112 HD1 HIS 112 -18.843 8.661 0.850 860 HD2 HIS 112 HD2 HIS 112 -15.461 10.951 1.469 861 HE1 HIS 112 HE1 HIS 112 -19.658 10.716 2.027 862 HE2 HIS 112 HE2 HIS 112 -17.476 11.478 2.939 863 H ALA 113 H ALA 113 -13.218 7.063 1.328 864 HA ALA 113 HA ALA 113 -13.329 4.906 -0.340 865 HB1 ALA 113 1HB ALA 113 -11.161 5.346 -0.595 866 HB2 ALA 113 2HB ALA 113 -11.085 5.517 1.185 867 HB3 ALA 113 3HB ALA 113 -11.807 6.867 0.197 868 H ARG 114 H ARG 114 -12.923 5.721 2.858 869 HA ARG 114 HA ARG 114 -11.837 3.488 3.900 870 HB2 ARG 114 1HB ARG 114 -12.113 5.917 4.834 871 HB3 ARG 114 2HB ARG 114 -13.658 5.357 5.378 872 HG2 ARG 114 1HG ARG 114 -12.572 3.686 6.814 873 HG3 ARG 114 2HG ARG 114 -10.996 4.315 6.308 874 HD2 ARG 114 1HD ARG 114 -12.066 6.628 6.990 875 HD3 ARG 114 2HD ARG 114 -13.102 5.613 7.985 876 HE ARG 114 HE ARG 114 -10.741 4.732 8.724 877 HH11 ARG 114 1HH1 ARG 114 -11.994 8.091 8.469 878 HH12 ARG 114 2HH1 ARG 114 -10.675 8.744 9.354 879 HH21 ARG 114 1HH2 ARG 114 -8.955 5.826 10.070 880 HH22 ARG 114 2HH2 ARG 114 -9.054 7.530 10.193 881 H LYS 115 H LYS 115 -14.994 4.344 2.630 882 HA LYS 115 HA LYS 115 -16.444 2.492 4.156 883 HB2 LYS 115 1HB LYS 115 -17.897 4.259 4.432 884 HB3 LYS 115 2HB LYS 115 -16.606 5.265 3.836 885 HG2 LYS 115 1HG LYS 115 -18.030 5.942 2.291 886 HG3 LYS 115 2HG LYS 115 -17.668 4.395 1.509 887 HD2 LYS 115 1HD LYS 115 -20.001 4.985 3.390 888 HD3 LYS 115 2HD LYS 115 -20.115 4.642 1.656 889 HE2 LYS 115 1HE LYS 115 -19.277 2.559 1.910 890 HE3 LYS 115 2HE LYS 115 -18.809 2.777 3.566 891 HZ1 LYS 115 1HZ LYS 115 -21.403 2.330 2.194 892 HZ2 LYS 115 2HZ LYS 115 -21.520 2.903 3.790 893 HZ3 LYS 115 3HZ LYS 115 -20.812 1.381 3.411 894 H GLN 116 H GLN 116 -15.151 3.497 0.937 895 HA GLN 116 HA GLN 116 -17.076 2.228 -0.166 896 HB2 GLN 116 1HB GLN 116 -15.685 2.035 -2.346 897 HB3 GLN 116 2HB GLN 116 -15.980 3.624 -1.648 898 HG2 GLN 116 1HG GLN 116 -13.810 3.828 -1.948 899 HG3 GLN 116 2HG GLN 116 -13.873 3.019 -0.351 900 HE21 GLN 116 1HE2 GLN 116 -12.364 0.033 -1.567 901 HE22 GLN 116 2HE2 GLN 116 -13.404 0.701 -0.384 902 H LEU 117 H LEU 117 -14.605 0.681 1.421 903 HA LEU 117 HA LEU 117 -15.174 -1.867 0.415 904 HB2 LEU 117 1HB LEU 117 -13.211 -0.437 1.156 905 HB3 LEU 117 2HB LEU 117 -13.262 -1.457 2.510 906 HG LEU 117 HG LEU 117 -12.169 -1.954 0.505 907 HD11 LEU 117 1HD1 LEU 117 -12.836 -4.543 0.674 908 HD12 LEU 117 2HD1 LEU 117 -14.245 -3.885 1.540 909 HD13 LEU 117 3HD1 LEU 117 -12.569 -3.577 2.118 910 HD21 LEU 117 1HD2 LEU 117 -13.782 -1.423 -1.239 911 HD22 LEU 117 2HD2 LEU 117 -14.761 -2.871 -0.880 912 HD23 LEU 117 3HD2 LEU 117 -13.200 -3.038 -1.447 913 H GLU 118 H GLU 118 -16.612 0.186 2.640 914 HA GLU 118 HA GLU 118 -17.727 -2.080 3.750 915 HB2 GLU 118 1HB GLU 118 -17.624 0.775 4.583 916 HB3 GLU 118 2HB GLU 118 -19.138 -0.043 4.923 917 HG2 GLU 118 1HG GLU 118 -16.420 -0.938 5.864 918 HG3 GLU 118 2HG GLU 118 -17.607 -0.070 6.835 919 H GLU 119 H GLU 119 -17.753 -0.820 1.066 920 HA GLU 119 HA GLU 119 -20.553 -0.730 0.654 921 HB2 GLU 119 1HB GLU 119 -18.248 -0.188 -1.145 922 HB3 GLU 119 2HB GLU 119 -19.936 -0.093 -1.739 923 HG2 GLU 119 1HG GLU 119 -18.707 1.185 0.465 924 HG3 GLU 119 2HG GLU 119 -18.746 2.035 -1.118 925 H ALA 120 H ALA 120 -17.392 -2.176 -0.154 926 HA ALA 120 HA ALA 120 -18.558 -4.202 -1.649 927 HB1 ALA 120 1HB ALA 120 -16.386 -4.938 -1.979 928 HB2 ALA 120 2HB ALA 120 -15.908 -4.125 -0.456 929 HB3 ALA 120 3HB ALA 120 -16.372 -3.168 -1.859 930 H LYS 121 H LYS 121 -17.251 -4.157 1.438 931 HA LYS 121 HA LYS 121 -17.673 -6.740 2.309 932 HB2 LYS 121 1HB LYS 121 -17.267 -4.112 3.277 933 HB3 LYS 121 2HB LYS 121 -17.890 -5.289 4.516 934 HG2 LYS 121 1HG LYS 121 -16.114 -6.540 3.879 935 HG3 LYS 121 2HG LYS 121 -15.674 -5.421 2.638 936 HD2 LYS 121 1HD LYS 121 -14.254 -5.149 4.824 937 HD3 LYS 121 2HD LYS 121 -15.031 -3.884 3.821 938 HE2 LYS 121 1HE LYS 121 -15.357 -3.315 6.157 939 HE3 LYS 121 2HE LYS 121 -16.794 -3.722 5.199 940 HZ1 LYS 121 1HZ LYS 121 -16.807 -5.941 6.357 941 HZ2 LYS 121 2HZ LYS 121 -17.082 -4.557 7.278 942 HZ3 LYS 121 3HZ LYS 121 -15.592 -5.332 7.384 943 H ALA 122 H ALA 122 -19.457 -4.169 3.052 944 HA ALA 122 HA ALA 122 -21.601 -5.217 4.052 945 HB1 ALA 122 1HB ALA 122 -21.514 -3.002 2.223 946 HB2 ALA 122 2HB ALA 122 -20.876 -3.057 3.885 947 HB3 ALA 122 3HB ALA 122 -22.662 -3.218 3.593 948 H ARG 123 H ARG 123 -20.661 -5.473 0.641 949 HA ARG 123 HA ARG 123 -23.288 -5.751 -0.139 950 HB2 ARG 123 1HB ARG 123 -22.533 -4.954 -2.127 951 HB3 ARG 123 2HB ARG 123 -20.991 -4.848 -1.225 952 HG2 ARG 123 1HG ARG 123 -20.521 -7.117 -1.887 953 HG3 ARG 123 2HG ARG 123 -21.862 -7.069 -3.052 954 HD2 ARG 123 1HD ARG 123 -20.750 -4.979 -3.993 955 HD3 ARG 123 2HD ARG 123 -19.464 -5.419 -2.832 956 HE ARG 123 HE ARG 123 -19.787 -7.653 -4.276 957 HH11 ARG 123 1HH1 ARG 123 -19.042 -4.322 -5.192 958 HH12 ARG 123 2HH1 ARG 123 -18.112 -4.697 -6.563 959 HH21 ARG 123 1HH2 ARG 123 -18.484 -8.239 -6.204 960 HH22 ARG 123 2HH2 ARG 123 -17.789 -7.022 -7.159 961 H VAL 124 H VAL 124 -20.648 -7.233 0.756 962 HA VAL 124 HA VAL 124 -20.861 -9.572 -0.837 963 HB VAL 124 HB VAL 124 -19.024 -8.854 1.326 964 HG11 VAL 124 1HG1 VAL 124 -17.627 -10.783 0.504 965 HG12 VAL 124 2HG1 VAL 124 -19.086 -11.183 -0.490 966 HG13 VAL 124 3HG1 VAL 124 -19.190 -11.150 1.294 967 HG21 VAL 124 1HG2 VAL 124 -18.719 -7.581 -0.497 968 HG22 VAL 124 2HG2 VAL 124 -18.605 -8.966 -1.620 969 HG23 VAL 124 3HG2 VAL 124 -17.325 -8.650 -0.403 970 H GLN 125 H GLN 125 -20.463 -8.646 2.169 971 HA GLN 125 HA GLN 125 -20.775 -9.296 4.224 972 HB2 GLN 125 1HB GLN 125 -21.883 -8.179 2.741 973 HB3 GLN 125 2HB GLN 125 -22.069 -7.628 3.910 974 HG2 GLN 125 1HG GLN 125 -24.049 -7.685 2.331 975 HG3 GLN 125 2HG GLN 125 -23.455 -9.329 1.982 976 HE21 GLN 125 1HE2 GLN 125 -26.623 -10.263 3.153 977 HE22 GLN 125 2HE2 GLN 125 -25.644 -9.913 1.761 978 H ALA 126 H ALA 126 -23.318 -10.275 5.192 979 HA ALA 126 HA ALA 126 -24.467 -12.029 5.784 980 HB1 ALA 126 1HB ALA 126 -25.357 -13.063 4.159 981 HB2 ALA 126 2HB ALA 126 -23.793 -13.499 3.368 982 HB3 ALA 126 3HB ALA 126 -24.421 -11.808 3.278 983 H GLN 127 H GLN 127 -21.887 -13.851 3.981 984 HA GLN 127 HA GLN 127 -21.353 -15.610 5.934 985 HB2 GLN 127 1HB GLN 127 -21.225 -15.155 3.243 986 HB3 GLN 127 2HB GLN 127 -19.563 -15.012 3.758 987 HG2 GLN 127 1HG GLN 127 -21.493 -17.028 4.383 988 HG3 GLN 127 2HG GLN 127 -20.336 -17.290 3.059 989 HE21 GLN 127 1HE2 GLN 127 -17.598 -18.022 5.212 990 HE22 GLN 127 2HE2 GLN 127 -18.076 -17.453 3.646 991 H ARG 128 H ARG 128 -19.564 -15.580 7.184 992 HA ARG 128 HA ARG 128 -18.451 -13.411 8.018 993 HB2 ARG 128 1HB ARG 128 -17.513 -16.208 8.215 994 HB3 ARG 128 2HB ARG 128 -16.507 -14.784 8.583 995 HG2 ARG 128 1HG ARG 128 -19.177 -14.947 9.769 996 HG3 ARG 128 2HG ARG 128 -17.823 -15.811 10.581 997 HD2 ARG 128 1HD ARG 128 -18.228 -12.995 9.828 998 HD3 ARG 128 2HD ARG 128 -18.093 -13.585 11.493 999 HE ARG 128 HE ARG 128 -15.704 -14.171 10.789 1000 HH11 ARG 128 1HH1 ARG 128 -17.402 -11.358 9.410 1001 HH12 ARG 128 2HH1 ARG 128 -16.014 -10.540 8.918 1002 HH21 ARG 128 1HH2 ARG 128 -13.761 -13.026 10.172 1003 HH22 ARG 128 2HH2 ARG 128 -13.841 -11.511 9.429 1004 H ALA 129 H ALA 129 -17.535 -15.208 5.291 1005 HA ALA 129 HA ALA 129 -15.017 -14.412 4.964 1006 HB1 ALA 129 1HB ALA 129 -15.155 -14.927 2.736 1007 HB2 ALA 129 2HB ALA 129 -16.942 -15.200 2.869 1008 HB3 ALA 129 3HB ALA 129 -15.756 -16.165 3.828 1009 H GLU 130 H GLU 130 -14.461 -12.450 4.957 1010 HA GLU 130 HA GLU 130 -14.701 -10.720 2.991 1011 HB2 GLU 130 1HB GLU 130 -15.924 -8.727 4.166 1012 HB3 GLU 130 2HB GLU 130 -16.927 -9.993 3.501 1013 HG2 GLU 130 1HG GLU 130 -17.998 -9.735 5.520 1014 HG3 GLU 130 2HG GLU 130 -16.734 -10.865 6.007 1015 H GLN 131 H GLN 131 -14.551 -10.157 6.486 1016 HA GLN 131 HA GLN 131 -11.758 -9.387 6.076 1017 HB2 GLN 131 1HB GLN 131 -13.484 -9.189 8.559 1018 HB3 GLN 131 2HB GLN 131 -11.835 -8.596 8.416 1019 HG2 GLN 131 1HG GLN 131 -12.483 -6.926 6.867 1020 HG3 GLN 131 2HG GLN 131 -14.091 -7.627 6.695 1021 HE21 GLN 131 1HE2 GLN 131 -15.387 -6.228 9.589 1022 HE22 GLN 131 2HE2 GLN 131 -15.537 -7.425 8.327 1023 H GLN 132 H GLN 132 -11.559 -11.648 5.490 1024 HA GLN 132 HA GLN 132 -11.164 -13.317 7.812 1025 HB2 GLN 132 1HB GLN 132 -12.233 -14.016 5.131 1026 HB3 GLN 132 2HB GLN 132 -11.291 -15.191 6.089 1027 HG2 GLN 132 1HG GLN 132 -13.744 -13.753 7.024 1028 HG3 GLN 132 2HG GLN 132 -13.739 -15.383 6.361 1029 HE21 GLN 132 1HE2 GLN 132 -11.572 -16.385 9.304 1030 HE22 GLN 132 2HE2 GLN 132 -11.201 -16.228 7.656 1031 H ALA 133 H ALA 133 -9.585 -15.211 7.205 1032 HA ALA 133 HA ALA 133 -7.506 -14.627 5.469 1033 HB1 ALA 133 1HB ALA 133 -5.889 -14.905 7.361 1034 HB2 ALA 133 2HB ALA 133 -7.225 -14.664 8.497 1035 HB3 ALA 133 3HB ALA 133 -6.739 -13.362 7.400 Start of MODEL 10 1 H1 MET 1 1H MET 1 16.430 1.768 32.891 2 H2 MET 1 2H MET 1 15.193 2.541 33.775 3 H3 MET 1 3H MET 1 15.217 2.558 32.054 4 HA MET 1 HA MET 1 14.966 0.104 33.628 5 HB2 MET 1 1HB MET 1 12.869 1.595 32.004 6 HB3 MET 1 2HB MET 1 12.636 0.049 32.804 7 HG2 MET 1 1HG MET 1 13.088 2.722 34.107 8 HG3 MET 1 2HG MET 1 11.601 1.775 34.104 9 HE1 MET 1 1HE MET 1 11.221 -0.427 35.517 10 HE2 MET 1 2HE MET 1 12.504 -1.248 36.407 11 HE3 MET 1 3HE MET 1 12.553 -1.189 34.646 12 H GLY 2 H GLY 2 14.119 -1.634 31.975 13 HA2 GLY 2 1HA GLY 2 14.725 -1.190 29.263 14 HA3 GLY 2 2HA GLY 2 15.981 -2.111 30.099 15 H SER 3 H SER 3 14.650 -3.437 28.182 16 HA SER 3 HA SER 3 13.315 -5.447 29.721 17 HB2 SER 3 1HB SER 3 11.404 -4.033 29.209 18 HB3 SER 3 2HB SER 3 11.874 -3.946 27.516 19 HG SER 3 HG SER 3 10.540 -5.484 27.362 20 H SER 4 H SER 4 13.922 -7.377 28.973 21 HA SER 4 HA SER 4 15.463 -7.785 26.679 22 HB2 SER 4 1HB SER 4 13.758 -9.835 28.086 23 HB3 SER 4 2HB SER 4 15.339 -10.061 27.328 24 HG SER 4 HG SER 4 16.205 -9.556 29.168 25 H HIS 5 H HIS 5 12.090 -7.569 27.304 26 HA HIS 5 HA HIS 5 11.233 -8.912 24.854 27 HB2 HIS 5 1HB HIS 5 9.551 -7.334 26.835 28 HB3 HIS 5 2HB HIS 5 8.960 -8.426 25.594 29 HD1 HIS 5 HD1 HIS 5 9.826 -8.251 29.106 30 HD2 HIS 5 HD2 HIS 5 9.626 -11.245 26.219 31 HE1 HIS 5 HE1 HIS 5 9.752 -10.411 30.385 32 HE2 HIS 5 HE2 HIS 5 9.461 -12.192 28.626 33 H HIS 6 H HIS 6 11.984 -7.613 23.235 34 HA HIS 6 HA HIS 6 10.673 -5.036 23.005 35 HB2 HIS 6 1HB HIS 6 12.795 -3.853 22.346 36 HB3 HIS 6 2HB HIS 6 12.723 -4.312 24.035 37 HD1 HIS 6 HD1 HIS 6 14.707 -5.544 24.916 38 HD2 HIS 6 HD2 HIS 6 14.557 -5.601 20.757 39 HE1 HIS 6 HE1 HIS 6 16.864 -6.590 24.178 40 HE2 HIS 6 HE2 HIS 6 16.822 -6.471 21.665 41 H HIS 7 H HIS 7 10.523 -7.666 21.660 42 HA HIS 7 HA HIS 7 10.140 -6.621 19.073 43 HB2 HIS 7 1HB HIS 7 12.643 -7.117 19.007 44 HB3 HIS 7 2HB HIS 7 12.227 -8.816 19.219 45 HD1 HIS 7 HD1 HIS 7 11.007 -10.017 17.151 46 HD2 HIS 7 HD2 HIS 7 12.191 -6.079 16.475 47 HE1 HIS 7 HE1 HIS 7 10.848 -9.651 14.687 48 HE2 HIS 7 HE2 HIS 7 11.724 -7.347 14.294 49 H HIS 8 H HIS 8 8.405 -7.620 18.334 50 HA HIS 8 HA HIS 8 7.978 -10.276 18.001 51 HB2 HIS 8 1HB HIS 8 7.710 -10.284 20.562 52 HB3 HIS 8 2HB HIS 8 6.372 -9.164 20.351 53 HD1 HIS 8 HD1 HIS 8 7.141 -12.370 18.457 54 HD2 HIS 8 HD2 HIS 8 4.147 -10.647 20.766 55 HE1 HIS 8 HE1 HIS 8 5.301 -14.067 18.537 56 HE2 HIS 8 HE2 HIS 8 3.395 -12.844 19.630 57 H HIS 9 H HIS 9 5.882 -10.459 16.857 58 HA HIS 9 HA HIS 9 5.341 -8.533 15.194 59 HB2 HIS 9 1HB HIS 9 3.644 -10.757 16.002 60 HB3 HIS 9 2HB HIS 9 2.787 -9.427 15.222 61 HD1 HIS 9 HD1 HIS 9 4.128 -8.573 12.906 62 HD2 HIS 9 HD2 HIS 9 4.705 -12.482 14.202 63 HE1 HIS 9 HE1 HIS 9 4.958 -9.821 10.917 64 HE2 HIS 9 HE2 HIS 9 5.813 -11.915 11.960 65 H HIS 10 H HIS 10 5.552 -6.797 15.704 66 HA HIS 10 HA HIS 10 3.500 -5.020 15.578 67 HB2 HIS 10 1HB HIS 10 3.504 -5.607 18.159 68 HB3 HIS 10 2HB HIS 10 5.062 -4.782 18.180 69 HD1 HIS 10 HD1 HIS 10 5.005 -2.254 17.407 70 HD2 HIS 10 HD2 HIS 10 1.324 -3.968 18.213 71 HE1 HIS 10 HE1 HIS 10 3.409 -0.301 17.724 72 HE2 HIS 10 HE2 HIS 10 1.152 -1.422 17.853 73 H SER 11 H SER 11 5.685 -6.077 14.348 74 HA SER 11 HA SER 11 7.634 -4.072 13.971 75 HB2 SER 11 1HB SER 11 9.512 -5.487 14.631 76 HB3 SER 11 2HB SER 11 8.560 -5.039 16.044 77 HG SER 11 HG SER 11 7.985 -7.399 14.666 78 H GLN 12 H GLN 12 8.555 -4.451 12.022 79 HA GLN 12 HA GLN 12 6.865 -6.356 10.574 80 HB2 GLN 12 1HB GLN 12 7.795 -3.651 9.705 81 HB3 GLN 12 2HB GLN 12 6.520 -4.630 8.984 82 HG2 GLN 12 1HG GLN 12 5.068 -4.256 10.804 83 HG3 GLN 12 2HG GLN 12 6.379 -3.635 11.807 84 HE21 GLN 12 1HE2 GLN 12 4.530 -1.312 9.054 85 HE22 GLN 12 2HE2 GLN 12 4.373 -3.034 9.101 86 H ASP 13 H ASP 13 9.615 -6.442 11.445 87 HA ASP 13 HA ASP 13 11.057 -6.334 9.013 88 HB2 ASP 13 1HB ASP 13 12.660 -6.678 10.492 89 HB3 ASP 13 2HB ASP 13 11.974 -5.002 10.581 90 HA PRO 14 HA PRO 14 11.888 -10.593 8.323 91 HB2 PRO 14 2HB PRO 14 14.733 -10.010 8.947 92 HB3 PRO 14 1HB PRO 14 14.028 -10.820 7.530 93 HG2 PRO 14 2HG PRO 14 14.830 -8.388 7.248 94 HG3 PRO 14 1HG PRO 14 13.228 -8.843 6.628 95 HD2 PRO 14 2HD PRO 14 13.919 -7.365 9.109 96 HD3 PRO 14 1HD PRO 14 12.642 -7.007 7.937 97 H MET 15 H MET 15 13.255 -9.291 11.253 98 HA MET 15 HA MET 15 14.168 -11.595 12.275 99 HB2 MET 15 1HB MET 15 13.341 -9.060 13.699 100 HB3 MET 15 2HB MET 15 14.087 -10.439 14.547 101 HG2 MET 15 1HG MET 15 14.974 -8.691 12.377 102 HG3 MET 15 2HG MET 15 15.387 -8.633 14.085 103 HE1 MET 15 1HE MET 15 16.910 -10.538 15.310 104 HE2 MET 15 2HE MET 15 17.542 -11.963 14.486 105 HE3 MET 15 3HE MET 15 15.807 -11.789 14.733 106 H GLU 16 H GLU 16 10.940 -10.479 11.975 107 HA GLU 16 HA GLU 16 10.069 -13.074 12.932 108 HB2 GLU 16 1HB GLU 16 9.894 -11.399 14.909 109 HB3 GLU 16 2HB GLU 16 8.560 -10.669 14.015 110 HG2 GLU 16 1HG GLU 16 7.379 -12.821 14.075 111 HG3 GLU 16 2HG GLU 16 8.719 -13.528 14.967 112 H ASN 17 H ASN 17 10.296 -11.740 10.265 113 HA ASN 17 HA ASN 17 7.536 -11.668 9.361 114 HB2 ASN 17 1HB ASN 17 9.167 -9.434 9.290 115 HB3 ASN 17 2HB ASN 17 10.006 -10.344 8.189 116 HD21 ASN 17 1HD2 ASN 17 7.597 -8.157 6.529 117 HD22 ASN 17 2HD2 ASN 17 8.721 -7.882 7.784 118 H GLN 18 H GLN 18 9.219 -11.594 7.141 119 HA GLN 18 HA GLN 18 9.724 -14.398 6.690 120 HB2 GLN 18 1HB GLN 18 8.642 -12.118 5.139 121 HB3 GLN 18 2HB GLN 18 9.245 -13.551 4.361 122 HG2 GLN 18 1HG GLN 18 6.982 -13.366 6.371 123 HG3 GLN 18 2HG GLN 18 6.777 -13.602 4.638 124 HE21 GLN 18 1HE2 GLN 18 7.739 -16.715 7.049 125 HE22 GLN 18 2HE2 GLN 18 7.831 -15.087 7.627 126 HA PRO 19 HA PRO 19 13.890 -12.888 5.230 127 HB2 PRO 19 2HB PRO 19 13.755 -14.673 2.968 128 HB3 PRO 19 1HB PRO 19 14.723 -14.887 4.441 129 HG2 PRO 19 2HG PRO 19 12.744 -16.563 3.818 130 HG3 PRO 19 1HG PRO 19 13.121 -16.126 5.497 131 HD2 PRO 19 2HD PRO 19 10.970 -15.043 3.729 132 HD3 PRO 19 1HD PRO 19 10.870 -15.577 5.425 133 H LYS 20 H LYS 20 15.015 -12.388 3.116 134 HA LYS 20 HA LYS 20 13.934 -10.363 2.087 135 HB2 LYS 20 1HB LYS 20 15.999 -12.207 1.144 136 HB3 LYS 20 2HB LYS 20 15.692 -10.609 0.494 137 HG2 LYS 20 1HG LYS 20 16.413 -11.194 3.331 138 HG3 LYS 20 2HG LYS 20 17.504 -10.439 2.164 139 HD2 LYS 20 1HD LYS 20 16.612 -8.347 2.916 140 HD3 LYS 20 2HD LYS 20 15.255 -9.098 2.032 141 HE2 LYS 20 1HE LYS 20 14.055 -9.666 3.759 142 HE3 LYS 20 2HE LYS 20 15.341 -9.662 4.954 143 HZ1 LYS 20 1HZ LYS 20 14.177 -7.173 3.655 144 HZ2 LYS 20 2HZ LYS 20 15.135 -7.150 5.031 145 HZ3 LYS 20 3HZ LYS 20 13.633 -7.735 5.070 146 H LEU 21 H LEU 21 13.774 -9.830 -0.218 147 HA LEU 21 HA LEU 21 11.238 -10.166 -0.405 148 HB2 LEU 21 1HB LEU 21 13.320 -9.028 -2.085 149 HB3 LEU 21 2HB LEU 21 11.718 -8.451 -2.188 150 HG LEU 21 HG LEU 21 13.888 -7.943 -0.610 151 HD11 LEU 21 1HD1 LEU 21 12.249 -6.714 -1.943 152 HD12 LEU 21 2HD1 LEU 21 13.119 -6.046 -0.472 153 HD13 LEU 21 3HD1 LEU 21 11.438 -6.646 -0.285 154 HD21 LEU 21 1HD2 LEU 21 12.697 -7.170 1.248 155 HD22 LEU 21 2HD2 LEU 21 12.989 -8.965 1.058 156 HD23 LEU 21 3HD2 LEU 21 11.360 -8.208 0.567 157 H ASN 22 H ASN 22 13.431 -10.702 -3.116 158 HA ASN 22 HA ASN 22 13.574 -12.166 -4.771 159 HB2 ASN 22 1HB ASN 22 11.978 -13.599 -2.792 160 HB3 ASN 22 2HB ASN 22 12.864 -14.498 -4.057 161 HD21 ASN 22 1HD2 ASN 22 14.438 -14.162 -0.832 162 HD22 ASN 22 2HD2 ASN 22 12.855 -14.613 -1.295 163 H SER 23 H SER 23 11.225 -10.437 -4.238 164 HA SER 23 HA SER 23 9.820 -9.505 -5.710 165 HB2 SER 23 1HB SER 23 10.500 -10.739 -7.666 166 HB3 SER 23 2HB SER 23 9.574 -12.157 -7.156 167 HG SER 23 HG SER 23 8.236 -11.199 -8.508 168 H SER 24 H SER 24 8.095 -8.793 -5.293 169 HA SER 24 HA SER 24 6.127 -8.391 -4.736 170 HB2 SER 24 1HB SER 24 5.496 -11.283 -5.204 171 HB3 SER 24 2HB SER 24 4.342 -9.944 -5.175 172 HG SER 24 HG SER 24 6.553 -10.197 -6.919 173 H LYS 25 H LYS 25 5.843 -11.566 -2.898 174 HA LYS 25 HA LYS 25 4.231 -10.424 -1.054 175 HB2 LYS 25 1HB LYS 25 4.187 -12.609 -1.657 176 HB3 LYS 25 2HB LYS 25 5.885 -12.803 -1.416 177 HG2 LYS 25 1HG LYS 25 5.801 -13.102 0.636 178 HG3 LYS 25 2HG LYS 25 4.662 -11.775 0.864 179 HD2 LYS 25 1HD LYS 25 3.641 -13.833 1.585 180 HD3 LYS 25 2HD LYS 25 3.008 -13.174 0.032 181 HE2 LYS 25 1HE LYS 25 3.426 -15.698 -0.155 182 HE3 LYS 25 2HE LYS 25 4.237 -14.523 -1.233 183 HZ1 LYS 25 1HZ LYS 25 5.695 -15.619 1.155 184 HZ2 LYS 25 2HZ LYS 25 6.319 -14.808 -0.126 185 HZ3 LYS 25 3HZ LYS 25 5.794 -16.355 -0.347 186 H GLU 26 H GLU 26 7.320 -11.828 -0.663 187 HA GLU 26 HA GLU 26 7.365 -10.632 1.745 188 HB2 GLU 26 1HB GLU 26 10.002 -11.501 1.782 189 HB3 GLU 26 2HB GLU 26 8.600 -12.391 2.323 190 HG2 GLU 26 1HG GLU 26 9.661 -12.559 -0.489 191 HG3 GLU 26 2HG GLU 26 10.226 -13.604 0.811 192 H VAL 27 H VAL 27 7.867 -9.048 -0.891 193 HA VAL 27 HA VAL 27 9.835 -7.156 0.239 194 HB VAL 27 HB VAL 27 10.328 -6.492 -1.756 195 HG11 VAL 27 1HG1 VAL 27 8.441 -8.344 -2.864 196 HG12 VAL 27 2HG1 VAL 27 9.953 -8.725 -1.915 197 HG13 VAL 27 3HG1 VAL 27 10.097 -7.807 -3.481 198 HG21 VAL 27 1HG2 VAL 27 7.492 -6.401 -2.420 199 HG22 VAL 27 2HG2 VAL 27 8.861 -5.575 -3.283 200 HG23 VAL 27 3HG2 VAL 27 8.451 -5.201 -1.553 201 H ILE 28 H ILE 28 6.280 -7.575 -0.034 202 HA ILE 28 HA ILE 28 5.738 -5.013 0.646 203 HB ILE 28 HB ILE 28 4.699 -7.647 1.442 204 HG12 ILE 28 1HG1 ILE 28 3.607 -7.482 -0.713 205 HG13 ILE 28 2HG1 ILE 28 2.847 -6.496 0.386 206 HG21 ILE 28 1HG2 ILE 28 2.615 -6.549 2.377 207 HG22 ILE 28 2HG2 ILE 28 3.320 -4.978 2.115 208 HG23 ILE 28 3HG2 ILE 28 4.064 -6.095 3.273 209 HD11 ILE 28 1HD1 ILE 28 3.436 -5.338 -1.754 210 HD12 ILE 28 2HD1 ILE 28 5.023 -5.278 -0.961 211 HD13 ILE 28 3HD1 ILE 28 3.707 -4.413 -0.215 212 H ALA 29 H ALA 29 6.563 -7.821 2.278 213 HA ALA 29 HA ALA 29 6.748 -7.028 4.710 214 HB1 ALA 29 1HB ALA 29 8.373 -8.841 4.975 215 HB2 ALA 29 2HB ALA 29 8.333 -8.858 3.155 216 HB3 ALA 29 3HB ALA 29 6.861 -9.178 4.077 217 H PHE 30 H PHE 30 9.380 -6.646 2.274 218 HA PHE 30 HA PHE 30 11.169 -5.470 4.080 219 HB2 PHE 30 2HB PHE 30 12.331 -5.811 2.341 220 HB3 PHE 30 1HB PHE 30 10.878 -5.811 1.281 221 HD1 PHE 30 1HD PHE 30 13.211 -3.389 3.127 222 HD2 PHE 30 2HD PHE 30 10.652 -4.248 -0.227 223 HE1 PHE 30 1HE PHE 30 13.869 -1.363 2.108 224 HE2 PHE 30 2HE PHE 30 11.350 -2.186 -1.188 225 HZ PHE 30 HZ PHE 30 12.968 -0.743 -0.044 226 H LEU 31 H LEU 31 8.749 -4.357 1.819 227 HA LEU 31 HA LEU 31 9.093 -1.702 1.992 228 HB2 LEU 31 1HB LEU 31 6.977 -3.589 1.518 229 HB3 LEU 31 2HB LEU 31 6.413 -1.934 1.433 230 HG LEU 31 HG LEU 31 8.334 -3.468 -0.157 231 HD11 LEU 31 1HD1 LEU 31 5.842 -3.102 -0.511 232 HD12 LEU 31 2HD1 LEU 31 7.116 -3.104 -1.761 233 HD13 LEU 31 3HD1 LEU 31 6.374 -1.555 -1.337 234 HD21 LEU 31 1HD2 LEU 31 9.655 -1.777 0.132 235 HD22 LEU 31 2HD2 LEU 31 8.350 -0.568 0.325 236 HD23 LEU 31 3HD2 LEU 31 8.780 -1.176 -1.288 237 H ALA 32 H ALA 32 7.556 -3.911 3.981 238 HA ALA 32 HA ALA 32 6.287 -1.966 5.694 239 HB1 ALA 32 1HB ALA 32 5.392 -3.829 6.749 240 HB2 ALA 32 2HB ALA 32 6.688 -4.852 5.990 241 HB3 ALA 32 3HB ALA 32 5.434 -4.063 5.004 242 H GLU 33 H GLU 33 9.278 -3.899 5.831 243 HA GLU 33 HA GLU 33 9.590 -3.461 8.548 244 HB2 GLU 33 1HB GLU 33 11.646 -4.677 8.291 245 HB3 GLU 33 2HB GLU 33 10.270 -5.126 7.194 246 HG2 GLU 33 1HG GLU 33 11.199 -4.153 5.417 247 HG3 GLU 33 2HG GLU 33 12.481 -3.411 6.271 248 H ARG 34 H ARG 34 10.182 -2.104 5.787 249 HA ARG 34 HA ARG 34 12.074 -0.053 6.442 250 HB2 ARG 34 1HB ARG 34 11.974 -1.518 4.434 251 HB3 ARG 34 2HB ARG 34 10.599 -0.602 3.897 252 HG2 ARG 34 1HG ARG 34 12.495 0.172 2.870 253 HG3 ARG 34 2HG ARG 34 11.839 1.278 4.171 254 HD2 ARG 34 1HD ARG 34 13.519 0.828 5.646 255 HD3 ARG 34 2HD ARG 34 13.870 -0.658 4.740 256 HE ARG 34 HE ARG 34 14.946 0.567 3.172 257 HH11 ARG 34 1HH1 ARG 34 13.967 2.527 5.960 258 HH12 ARG 34 2HH1 ARG 34 15.244 3.662 5.862 259 HH21 ARG 34 1HH2 ARG 34 16.715 2.064 3.039 260 HH22 ARG 34 2HH2 ARG 34 16.920 3.410 4.066 261 H PHE 35 H PHE 35 8.592 -0.148 5.242 262 HA PHE 35 HA PHE 35 8.301 2.581 6.133 263 HB2 PHE 35 2HB PHE 35 7.394 0.742 4.280 264 HB3 PHE 35 1HB PHE 35 6.193 1.907 4.382 265 HD1 PHE 35 1HD PHE 35 8.432 4.236 4.576 266 HD2 PHE 35 2HD PHE 35 8.038 0.696 2.310 267 HE1 PHE 35 1HE PHE 35 10.001 5.109 2.917 268 HE2 PHE 35 2HE PHE 35 9.464 1.457 0.739 269 HZ PHE 35 HZ PHE 35 10.568 3.686 0.912 270 HA PRO 36 HA PRO 36 5.903 0.222 9.537 271 HB2 PRO 36 2HB PRO 36 6.361 3.001 10.409 272 HB3 PRO 36 1HB PRO 36 6.616 1.470 11.309 273 HG2 PRO 36 2HG PRO 36 8.490 3.100 9.981 274 HG3 PRO 36 1HG PRO 36 8.763 1.562 10.817 275 HD2 PRO 36 2HD PRO 36 9.087 1.922 8.153 276 HD3 PRO 36 1HD PRO 36 8.744 0.379 8.923 277 H HIS 37 H HIS 37 5.347 2.976 7.403 278 HA HIS 37 HA HIS 37 2.737 3.471 8.682 279 HB2 HIS 37 1HB HIS 37 4.340 5.609 7.643 280 HB3 HIS 37 2HB HIS 37 3.516 5.009 6.284 281 HD1 HIS 37 HD1 HIS 37 3.071 7.511 8.728 282 HD2 HIS 37 HD2 HIS 37 0.715 4.843 6.654 283 HE1 HIS 37 HE1 HIS 37 0.795 8.552 8.769 284 HE2 HIS 37 HE2 HIS 37 -0.436 7.182 7.073 285 H CYS 38 H CYS 38 4.077 2.953 5.578 286 HA CYS 38 HA CYS 38 1.757 2.744 4.053 287 HB2 CYS 38 2HB CYS 38 4.519 1.690 3.459 288 HB3 CYS 38 1HB CYS 38 3.349 2.472 2.405 289 HG CYS 38 HG CYS 38 3.512 4.755 4.244 290 H PHE 39 H PHE 39 4.043 0.412 5.292 291 HA PHE 39 HA PHE 39 2.365 -1.573 4.086 292 HB2 PHE 39 2HB PHE 39 4.997 -0.779 4.490 293 HB3 PHE 39 1HB PHE 39 5.130 -2.346 4.150 294 HD1 PHE 39 1HD PHE 39 6.110 0.148 3.037 295 HD2 PHE 39 2HD PHE 39 2.811 -2.241 1.897 296 HE1 PHE 39 1HE PHE 39 6.343 0.955 1.073 297 HE2 PHE 39 2HE PHE 39 2.997 -1.386 -0.338 298 HZ PHE 39 HZ PHE 39 4.767 0.273 -0.870 299 H SER 40 H SER 40 2.145 -3.489 5.160 300 HA SER 40 HA SER 40 2.196 -3.445 8.130 301 HB2 SER 40 1HB SER 40 1.008 -5.207 6.126 302 HB3 SER 40 2HB SER 40 0.957 -5.434 7.867 303 HG SER 40 HG SER 40 -0.884 -4.108 6.552 304 H ALA 41 H ALA 41 2.251 -6.404 6.619 305 HA ALA 41 HA ALA 41 3.896 -7.928 6.018 306 HB1 ALA 41 1HB ALA 41 5.323 -6.220 7.837 307 HB2 ALA 41 2HB ALA 41 5.477 -6.373 6.078 308 HB3 ALA 41 3HB ALA 41 6.114 -7.704 7.166 309 H GLU 42 H GLU 42 3.293 -6.391 8.819 310 HA GLU 42 HA GLU 42 2.905 -8.124 10.913 311 HB2 GLU 42 1HB GLU 42 1.783 -6.009 9.602 312 HB3 GLU 42 2HB GLU 42 0.910 -6.441 10.887 313 HG2 GLU 42 1HG GLU 42 3.752 -5.561 10.681 314 HG3 GLU 42 2HG GLU 42 2.504 -4.507 11.367 315 H GLY 43 H GLY 43 1.345 -7.047 8.356 316 HA2 GLY 43 1HA GLY 43 -0.694 -8.879 8.752 317 HA3 GLY 43 2HA GLY 43 -1.225 -7.226 8.540 318 H GLU 44 H GLU 44 -2.175 -9.121 6.769 319 HA GLU 44 HA GLU 44 -1.260 -9.643 4.363 320 HB2 GLU 44 1HB GLU 44 -3.619 -9.636 5.634 321 HB3 GLU 44 2HB GLU 44 -3.773 -8.221 4.612 322 HG2 GLU 44 1HG GLU 44 -3.554 -9.474 2.674 323 HG3 GLU 44 2HG GLU 44 -3.329 -10.982 3.597 324 H ALA 45 H ALA 45 -3.019 -6.553 5.084 325 HA ALA 45 HA ALA 45 -1.090 -5.042 3.649 326 HB1 ALA 45 1HB ALA 45 -3.865 -5.371 2.529 327 HB2 ALA 45 2HB ALA 45 -2.313 -5.902 1.817 328 HB3 ALA 45 3HB ALA 45 -2.665 -4.174 2.006 329 H ARG 46 H ARG 46 -2.637 -2.816 3.141 330 HA ARG 46 HA ARG 46 -4.085 -1.894 5.374 331 HB2 ARG 46 1HB ARG 46 -1.673 -1.986 6.186 332 HB3 ARG 46 2HB ARG 46 -1.234 -0.965 4.836 333 HG2 ARG 46 1HG ARG 46 -2.573 0.839 5.757 334 HG3 ARG 46 2HG ARG 46 -3.050 -0.199 7.108 335 HD2 ARG 46 1HD ARG 46 -0.247 0.668 6.414 336 HD3 ARG 46 2HD ARG 46 -1.223 1.275 7.749 337 HE ARG 46 HE ARG 46 -1.035 -1.501 7.977 338 HH11 ARG 46 1HH1 ARG 46 1.090 1.255 8.120 339 HH12 ARG 46 2HH1 ARG 46 2.169 0.646 9.285 340 HH21 ARG 46 1HH2 ARG 46 0.419 -2.449 9.617 341 HH22 ARG 46 2HH2 ARG 46 1.755 -1.544 10.164 342 HA PRO 47 HA PRO 47 -5.070 0.608 1.750 343 HB2 PRO 47 2HB PRO 47 -5.159 3.061 3.447 344 HB3 PRO 47 1HB PRO 47 -6.473 2.439 2.407 345 HG2 PRO 47 2HG PRO 47 -6.587 2.217 5.051 346 HG3 PRO 47 1HG PRO 47 -7.190 0.938 3.980 347 HD2 PRO 47 2HD PRO 47 -4.724 0.970 5.647 348 HD3 PRO 47 1HD PRO 47 -5.779 -0.383 5.203 349 H LEU 48 H LEU 48 -3.824 1.479 0.233 350 HA LEU 48 HA LEU 48 -1.416 2.922 0.917 351 HB2 LEU 48 1HB LEU 48 -0.569 0.842 0.941 352 HB3 LEU 48 2HB LEU 48 -1.706 0.104 -0.121 353 HG LEU 48 HG LEU 48 -0.514 1.713 -1.689 354 HD11 LEU 48 1HD1 LEU 48 1.321 0.863 0.420 355 HD12 LEU 48 2HD1 LEU 48 1.174 2.528 -0.286 356 HD13 LEU 48 3HD1 LEU 48 1.967 1.180 -1.178 357 HD21 LEU 48 1HD2 LEU 48 -0.615 -0.213 -2.536 358 HD22 LEU 48 2HD2 LEU 48 -0.128 -1.009 -1.016 359 HD23 LEU 48 3HD2 LEU 48 1.103 -0.280 -2.089 360 H LYS 49 H LYS 49 -0.470 3.766 -1.421 361 HA LYS 49 HA LYS 49 -2.638 4.436 -3.153 362 HB2 LYS 49 1HB LYS 49 -0.808 5.864 -4.015 363 HB3 LYS 49 2HB LYS 49 -1.354 6.478 -2.446 364 HG2 LYS 49 1HG LYS 49 0.703 5.174 -1.618 365 HG3 LYS 49 2HG LYS 49 1.000 4.998 -3.355 366 HD2 LYS 49 1HD LYS 49 0.975 7.693 -1.882 367 HD3 LYS 49 2HD LYS 49 2.411 6.773 -2.207 368 HE2 LYS 49 1HE LYS 49 1.880 6.964 -4.687 369 HE3 LYS 49 2HE LYS 49 0.629 8.123 -4.259 370 HZ1 LYS 49 1HZ LYS 49 2.534 9.451 -3.122 371 HZ2 LYS 49 2HZ LYS 49 2.569 9.450 -4.757 372 HZ3 LYS 49 3HZ LYS 49 3.622 8.496 -3.924 373 H ILE 50 H ILE 50 -1.988 3.775 -5.328 374 HA ILE 50 HA ILE 50 0.152 1.811 -5.226 375 HB ILE 50 HB ILE 50 -2.202 1.912 -6.911 376 HG12 ILE 50 1HG1 ILE 50 -0.333 -0.145 -5.745 377 HG13 ILE 50 2HG1 ILE 50 -1.749 0.575 -4.973 378 HG21 ILE 50 1HG2 ILE 50 -0.335 2.300 -8.457 379 HG22 ILE 50 2HG2 ILE 50 -1.016 0.635 -8.711 380 HG23 ILE 50 3HG2 ILE 50 0.455 0.943 -7.696 381 HD11 ILE 50 1HD1 ILE 50 -1.845 -0.929 -7.517 382 HD12 ILE 50 2HD1 ILE 50 -3.170 -0.526 -6.388 383 HD13 ILE 50 3HD1 ILE 50 -1.912 -1.749 -5.955 384 H GLY 51 H GLY 51 -0.287 4.630 -6.761 385 HA2 GLY 51 1HA GLY 51 2.108 4.483 -8.354 386 HA3 GLY 51 2HA GLY 51 1.311 5.966 -7.849 387 H ILE 52 H ILE 52 1.784 4.689 -4.889 388 HA ILE 52 HA ILE 52 4.011 5.790 -3.923 389 HB ILE 52 HB ILE 52 2.482 4.658 -2.477 390 HG12 ILE 52 1HG1 ILE 52 4.938 3.386 -2.953 391 HG13 ILE 52 2HG1 ILE 52 4.751 4.729 -1.944 392 HG21 ILE 52 1HG2 ILE 52 2.064 2.359 -2.611 393 HG22 ILE 52 2HG2 ILE 52 3.431 2.161 -3.691 394 HG23 ILE 52 3HG2 ILE 52 1.929 2.874 -4.328 395 HD11 ILE 52 1HD1 ILE 52 4.595 2.090 -1.445 396 HD12 ILE 52 2HD1 ILE 52 2.905 2.700 -1.424 397 HD13 ILE 52 3HD1 ILE 52 4.065 3.350 -0.240 398 H PHE 53 H PHE 53 3.704 2.802 -5.801 399 HA PHE 53 HA PHE 53 5.810 1.457 -4.962 400 HB2 PHE 53 2HB PHE 53 4.498 0.583 -6.264 401 HB3 PHE 53 1HB PHE 53 4.376 1.843 -7.491 402 HD1 PHE 53 1HD PHE 53 6.047 1.832 -9.353 403 HD2 PHE 53 2HD PHE 53 6.377 -0.422 -5.935 404 HE1 PHE 53 1HE PHE 53 8.073 0.633 -10.338 405 HE2 PHE 53 2HE PHE 53 8.046 -1.699 -6.851 406 HZ PHE 53 HZ PHE 53 9.025 -1.249 -8.959 407 H GLN 54 H GLN 54 5.591 3.797 -7.394 408 HA GLN 54 HA GLN 54 8.167 4.251 -8.339 409 HB2 GLN 54 1HB GLN 54 5.942 4.887 -9.128 410 HB3 GLN 54 2HB GLN 54 5.836 5.431 -7.599 411 HG2 GLN 54 1HG GLN 54 7.773 6.809 -8.169 412 HG3 GLN 54 2HG GLN 54 6.729 7.323 -9.643 413 HE21 GLN 54 1HE2 GLN 54 6.827 7.397 -5.814 414 HE22 GLN 54 2HE2 GLN 54 5.793 6.231 -6.187 415 H ASP 55 H ASP 55 6.959 4.844 -5.516 416 HA ASP 55 HA ASP 55 8.575 7.092 -4.896 417 HB2 ASP 55 1HB ASP 55 6.051 6.156 -3.998 418 HB3 ASP 55 2HB ASP 55 6.963 6.479 -2.633 419 H LEU 56 H LEU 56 7.554 4.175 -3.802 420 HA LEU 56 HA LEU 56 9.175 3.366 -1.793 421 HB2 LEU 56 1HB LEU 56 7.787 2.420 -4.210 422 HB3 LEU 56 2HB LEU 56 7.790 2.907 -2.586 423 HG LEU 56 HG LEU 56 8.592 0.356 -2.678 424 HD11 LEU 56 1HD1 LEU 56 7.294 0.692 -0.700 425 HD12 LEU 56 2HD1 LEU 56 6.667 2.133 -1.512 426 HD13 LEU 56 3HD1 LEU 56 8.327 2.162 -0.793 427 HD21 LEU 56 1HD2 LEU 56 6.253 0.232 -2.325 428 HD22 LEU 56 2HD2 LEU 56 6.865 0.355 -4.016 429 HD23 LEU 56 3HD2 LEU 56 6.303 1.832 -3.029 430 H VAL 57 H VAL 57 9.323 3.170 -5.055 431 HA VAL 57 HA VAL 57 11.714 1.942 -5.087 432 HB VAL 57 HB VAL 57 11.912 2.249 -7.466 433 HG11 VAL 57 1HG1 VAL 57 10.443 0.603 -7.187 434 HG12 VAL 57 2HG1 VAL 57 9.163 2.006 -7.301 435 HG13 VAL 57 3HG1 VAL 57 9.801 1.549 -5.799 436 HG21 VAL 57 1HG2 VAL 57 11.355 4.478 -7.631 437 HG22 VAL 57 2HG2 VAL 57 9.735 4.258 -7.014 438 HG23 VAL 57 3HG2 VAL 57 10.199 3.496 -8.586 439 H ASP 58 H ASP 58 11.049 5.356 -5.148 440 HA ASP 58 HA ASP 58 13.231 6.653 -5.797 441 HB2 ASP 58 1HB ASP 58 11.099 7.142 -4.205 442 HB3 ASP 58 2HB ASP 58 12.305 6.826 -3.132 443 H ARG 59 H ARG 59 12.433 4.825 -3.023 444 HA ARG 59 HA ARG 59 14.638 5.325 -1.356 445 HB2 ARG 59 1HB ARG 59 11.942 4.778 -1.328 446 HB3 ARG 59 2HB ARG 59 12.763 4.291 0.200 447 HG2 ARG 59 1HG ARG 59 12.765 6.562 0.786 448 HG3 ARG 59 2HG ARG 59 13.018 7.080 -0.893 449 HD2 ARG 59 1HD ARG 59 10.818 6.703 -1.474 450 HD3 ARG 59 2HD ARG 59 10.484 5.755 -0.052 451 HE ARG 59 HE ARG 59 10.740 8.029 1.113 452 HH11 ARG 59 1HH1 ARG 59 9.728 7.871 -2.270 453 HH12 ARG 59 2HH1 ARG 59 8.483 9.004 -2.188 454 HH21 ARG 59 1HH2 ARG 59 8.889 9.731 1.306 455 HH22 ARG 59 2HH2 ARG 59 8.043 10.064 -0.109 456 H VAL 60 H VAL 60 12.252 2.686 -2.184 457 HA VAL 60 HA VAL 60 13.171 0.957 -0.442 458 HB VAL 60 HB VAL 60 11.800 -0.569 -1.800 459 HG11 VAL 60 1HG1 VAL 60 10.112 1.118 -2.027 460 HG12 VAL 60 2HG1 VAL 60 11.265 2.136 -1.012 461 HG13 VAL 60 3HG1 VAL 60 10.604 0.509 -0.386 462 HG21 VAL 60 1HG2 VAL 60 11.811 -0.135 -3.911 463 HG22 VAL 60 2HG2 VAL 60 12.164 1.520 -3.476 464 HG23 VAL 60 3HG2 VAL 60 10.487 1.009 -3.429 465 H ALA 61 H ALA 61 13.846 1.233 -3.703 466 HA ALA 61 HA ALA 61 13.648 -1.301 -4.269 467 HB1 ALA 61 1HB ALA 61 13.476 0.456 -5.660 468 HB2 ALA 61 2HB ALA 61 14.261 -0.992 -6.313 469 HB3 ALA 61 3HB ALA 61 15.239 0.479 -5.933 470 H GLY 62 H GLY 62 16.550 -0.230 -4.804 471 HA2 GLY 62 1HA GLY 62 17.212 -3.020 -4.492 472 HA3 GLY 62 2HA GLY 62 18.136 -2.074 -5.585 473 H GLU 63 H GLU 63 17.080 -1.591 -2.541 474 HA GLU 63 HA GLU 63 19.411 -1.001 -1.139 475 HB2 GLU 63 1HB GLU 63 16.732 -1.936 -0.414 476 HB3 GLU 63 2HB GLU 63 17.889 -1.782 0.857 477 HG2 GLU 63 1HG GLU 63 18.069 0.689 -0.290 478 HG3 GLU 63 2HG GLU 63 16.456 0.210 -0.847 479 H MET 64 H MET 64 17.263 -3.791 -0.987 480 HA MET 64 HA MET 64 19.480 -5.446 -0.180 481 HB2 MET 64 1HB MET 64 16.741 -6.450 -0.279 482 HB3 MET 64 2HB MET 64 18.120 -7.121 0.475 483 HG2 MET 64 1HG MET 64 16.551 -6.450 1.896 484 HG3 MET 64 2HG MET 64 18.018 -5.474 2.257 485 HE1 MET 64 1HE MET 64 14.203 -5.523 1.056 486 HE2 MET 64 2HE MET 64 15.245 -5.400 -0.384 487 HE3 MET 64 3HE MET 64 14.190 -4.049 0.107 488 H ASN 65 H ASN 65 16.863 -5.395 -2.072 489 HA ASN 65 HA ASN 65 18.126 -7.021 -4.016 490 HB2 ASN 65 1HB ASN 65 16.287 -8.809 -3.564 491 HB3 ASN 65 2HB ASN 65 17.681 -8.630 -2.401 492 HD21 ASN 65 1HD2 ASN 65 15.526 -8.737 -0.035 493 HD22 ASN 65 2HD2 ASN 65 16.893 -9.288 -0.834 494 H LEU 66 H LEU 66 16.358 -4.732 -4.385 495 HA LEU 66 HA LEU 66 13.980 -5.764 -5.996 496 HB2 LEU 66 1HB LEU 66 14.676 -3.908 -4.255 497 HB3 LEU 66 2HB LEU 66 13.709 -2.973 -5.271 498 HG LEU 66 HG LEU 66 13.560 -4.581 -2.913 499 HD11 LEU 66 1HD1 LEU 66 11.449 -3.296 -2.661 500 HD12 LEU 66 2HD1 LEU 66 11.889 -2.564 -4.258 501 HD13 LEU 66 3HD1 LEU 66 12.966 -2.405 -2.913 502 HD21 LEU 66 1HD2 LEU 66 11.411 -5.703 -3.290 503 HD22 LEU 66 2HD2 LEU 66 12.901 -6.091 -4.238 504 HD23 LEU 66 3HD2 LEU 66 11.586 -5.235 -5.048 505 H SER 67 H SER 67 14.163 -5.758 -7.784 506 HA SER 67 HA SER 67 15.639 -3.851 -9.398 507 HB2 SER 67 1HB SER 67 15.848 -6.190 -9.826 508 HB3 SER 67 2HB SER 67 14.095 -6.374 -9.799 509 HG SER 67 HG SER 67 14.188 -4.930 -11.741 510 H LYS 68 H LYS 68 13.320 -2.878 -7.858 511 HA LYS 68 HA LYS 68 11.220 -1.926 -7.811 512 HB2 LYS 68 1HB LYS 68 11.031 -1.303 -10.539 513 HB3 LYS 68 2HB LYS 68 10.842 -0.210 -9.215 514 HG2 LYS 68 1HG LYS 68 13.358 -0.936 -10.690 515 HG3 LYS 68 2HG LYS 68 12.597 0.660 -10.548 516 HD2 LYS 68 1HD LYS 68 13.143 0.790 -8.238 517 HD3 LYS 68 2HD LYS 68 13.139 -0.935 -8.375 518 HE2 LYS 68 1HE LYS 68 15.520 0.129 -8.092 519 HE3 LYS 68 2HE LYS 68 15.326 -0.943 -9.480 520 HZ1 LYS 68 1HZ LYS 68 16.469 1.112 -10.090 521 HZ2 LYS 68 2HZ LYS 68 15.154 2.030 -9.566 522 HZ3 LYS 68 3HZ LYS 68 14.984 0.994 -10.888 523 H THR 69 H THR 69 11.346 -4.065 -10.685 524 HA THR 69 HA THR 69 8.584 -3.786 -10.831 525 HB THR 69 HB THR 69 8.712 -5.268 -12.353 526 HG1 THR 69 1HG THR 69 10.938 -6.304 -12.898 527 HG21 THR 69 1HG2 THR 69 10.376 -4.164 -13.955 528 HG22 THR 69 2HG2 THR 69 10.998 -3.440 -12.454 529 HG23 THR 69 3HG2 THR 69 9.349 -3.067 -12.982 530 H GLN 70 H GLN 70 10.800 -5.829 -9.452 531 HA GLN 70 HA GLN 70 8.991 -7.962 -8.726 532 HB2 GLN 70 1HB GLN 70 10.837 -8.661 -7.211 533 HB3 GLN 70 2HB GLN 70 11.441 -8.396 -8.817 534 HG2 GLN 70 1HG GLN 70 12.237 -6.282 -8.252 535 HG3 GLN 70 2HG GLN 70 11.387 -6.579 -6.716 536 HE21 GLN 70 1HE2 GLN 70 13.595 -8.348 -5.286 537 HE22 GLN 70 2HE2 GLN 70 11.970 -7.766 -5.297 538 H LEU 71 H LEU 71 9.436 -4.867 -7.703 539 HA LEU 71 HA LEU 71 8.216 -5.146 -5.041 540 HB2 LEU 71 1HB LEU 71 10.353 -3.842 -5.658 541 HB3 LEU 71 2HB LEU 71 9.465 -2.771 -6.524 542 HG LEU 71 HG LEU 71 10.103 -2.878 -3.866 543 HD11 LEU 71 1HD1 LEU 71 8.630 -0.803 -5.357 544 HD12 LEU 71 2HD1 LEU 71 10.401 -1.006 -5.361 545 HD13 LEU 71 3HD1 LEU 71 9.625 -0.523 -3.891 546 HD21 LEU 71 1HD2 LEU 71 7.277 -2.787 -4.449 547 HD22 LEU 71 2HD2 LEU 71 7.963 -1.948 -3.055 548 HD23 LEU 71 3HD2 LEU 71 8.138 -3.722 -3.231 549 H ARG 72 H ARG 72 7.741 -3.759 -8.250 550 HA ARG 72 HA ARG 72 5.501 -2.353 -7.448 551 HB2 ARG 72 1HB ARG 72 4.999 -2.051 -9.950 552 HB3 ARG 72 2HB ARG 72 6.719 -1.915 -9.545 553 HG2 ARG 72 1HG ARG 72 6.856 -3.124 -11.348 554 HG3 ARG 72 2HG ARG 72 6.864 -4.214 -9.892 555 HD2 ARG 72 1HD ARG 72 5.428 -5.305 -11.543 556 HD3 ARG 72 2HD ARG 72 4.512 -4.463 -10.250 557 HE ARG 72 HE ARG 72 4.358 -2.597 -11.950 558 HH11 ARG 72 1HH1 ARG 72 4.127 -6.045 -12.759 559 HH12 ARG 72 2HH1 ARG 72 3.272 -5.837 -14.204 560 HH21 ARG 72 1HH2 ARG 72 3.144 -2.262 -13.987 561 HH22 ARG 72 2HH2 ARG 72 2.697 -3.596 -14.930 562 H SER 73 H SER 73 6.037 -5.489 -8.118 563 HA SER 73 HA SER 73 3.465 -6.299 -8.767 564 HB2 SER 73 1HB SER 73 5.174 -6.861 -9.767 565 HB3 SER 73 2HB SER 73 6.128 -7.301 -8.471 566 HG SER 73 HG SER 73 4.869 -9.262 -8.223 567 H ALA 74 H ALA 74 5.320 -5.751 -6.233 568 HA ALA 74 HA ALA 74 4.011 -7.476 -4.197 569 HB1 ALA 74 1HB ALA 74 5.700 -5.009 -3.842 570 HB2 ALA 74 2HB ALA 74 6.360 -6.622 -3.927 571 HB3 ALA 74 3HB ALA 74 5.313 -6.177 -2.582 572 H LEU 75 H LEU 75 3.776 -4.714 -5.740 573 HA LEU 75 HA LEU 75 2.026 -3.455 -3.926 574 HB2 LEU 75 1HB LEU 75 4.043 -3.358 -5.044 575 HB3 LEU 75 2HB LEU 75 3.762 -2.315 -6.162 576 HG LEU 75 HG LEU 75 3.631 -2.271 -3.136 577 HD11 LEU 75 1HD1 LEU 75 5.557 -1.274 -3.306 578 HD12 LEU 75 2HD1 LEU 75 5.043 -0.442 -4.725 579 HD13 LEU 75 3HD1 LEU 75 5.654 -2.117 -4.889 580 HD21 LEU 75 1HD2 LEU 75 3.146 -0.133 -2.944 581 HD22 LEU 75 2HD2 LEU 75 1.997 -0.540 -4.252 582 HD23 LEU 75 3HD2 LEU 75 3.617 0.219 -4.579 583 H ARG 76 H ARG 76 1.396 -5.543 -5.506 584 HA ARG 76 HA ARG 76 -0.974 -4.969 -7.171 585 HB2 ARG 76 1HB ARG 76 1.341 -6.693 -7.898 586 HB3 ARG 76 2HB ARG 76 -0.227 -7.442 -8.071 587 HG2 ARG 76 1HG ARG 76 0.541 -6.578 -10.161 588 HG3 ARG 76 2HG ARG 76 -0.855 -5.642 -9.616 589 HD2 ARG 76 1HD ARG 76 1.595 -4.831 -8.608 590 HD3 ARG 76 2HD ARG 76 1.551 -4.566 -10.397 591 HE ARG 76 HE ARG 76 0.348 -3.142 -8.238 592 HH11 ARG 76 1HH1 ARG 76 -0.499 -4.121 -11.529 593 HH12 ARG 76 2HH1 ARG 76 -1.359 -2.698 -11.911 594 HH21 ARG 76 1HH2 ARG 76 -0.766 -1.217 -8.742 595 HH22 ARG 76 2HH2 ARG 76 -1.528 -0.953 -10.246 596 H LEU 77 H LEU 77 1.119 -7.194 -5.499 597 HA LEU 77 HA LEU 77 -0.474 -9.406 -5.100 598 HB2 LEU 77 1HB LEU 77 2.141 -8.941 -4.687 599 HB3 LEU 77 2HB LEU 77 1.652 -8.336 -3.345 600 HG LEU 77 HG LEU 77 0.385 -10.719 -3.141 601 HD11 LEU 77 1HD1 LEU 77 2.468 -12.066 -3.269 602 HD12 LEU 77 2HD1 LEU 77 3.256 -10.492 -3.521 603 HD13 LEU 77 3HD1 LEU 77 2.299 -11.197 -4.853 604 HD21 LEU 77 1HD2 LEU 77 2.698 -9.339 -2.263 605 HD22 LEU 77 2HD2 LEU 77 2.033 -10.709 -1.288 606 HD23 LEU 77 3HD2 LEU 77 1.123 -9.157 -1.488 607 H TYR 78 H TYR 78 0.627 -7.078 -2.833 608 HA TYR 78 HA TYR 78 -1.210 -8.121 -0.996 609 HB2 TYR 78 2HB TYR 78 0.149 -7.357 0.671 610 HB3 TYR 78 1HB TYR 78 1.249 -7.081 -0.652 611 HD1 TYR 78 1HD TYR 78 0.720 -4.785 -1.852 612 HD2 TYR 78 2HD TYR 78 0.143 -5.802 2.147 613 HE1 TYR 78 1HE TYR 78 0.843 -2.515 -1.343 614 HE2 TYR 78 2HE TYR 78 0.289 -3.495 2.804 615 HH TYR 78 HH TYR 78 0.767 -1.448 2.125 616 H THR 79 H THR 79 -1.074 -5.761 -3.247 617 HA THR 79 HA THR 79 -3.052 -3.937 -2.056 618 HB THR 79 HB THR 79 -2.941 -2.609 -4.010 619 HG1 THR 79 1HG THR 79 -2.988 -4.368 -5.561 620 HG21 THR 79 1HG2 THR 79 -1.133 -2.488 -2.575 621 HG22 THR 79 2HG2 THR 79 -0.466 -2.411 -4.241 622 HG23 THR 79 3HG2 THR 79 -0.442 -3.927 -3.290 623 H SER 80 H SER 80 -3.135 -6.840 -3.729 624 HA SER 80 HA SER 80 -5.881 -6.526 -4.531 625 HB2 SER 80 1HB SER 80 -4.093 -8.982 -4.504 626 HB3 SER 80 2HB SER 80 -5.728 -8.928 -5.168 627 HG SER 80 HG SER 80 -3.455 -7.482 -6.031 628 H SER 81 H SER 81 -4.358 -6.751 -1.613 629 HA SER 81 HA SER 81 -6.131 -8.631 -0.410 630 HB2 SER 81 1HB SER 81 -4.286 -8.442 0.771 631 HB3 SER 81 2HB SER 81 -4.147 -6.642 0.603 632 HG SER 81 HG SER 81 -5.601 -8.347 2.302 633 H TRP 82 H TRP 82 -7.572 -8.035 0.978 634 HA TRP 82 HA TRP 82 -9.338 -5.730 0.074 635 HB2 TRP 82 2HB TRP 82 -10.153 -8.260 1.258 636 HB3 TRP 82 1HB TRP 82 -10.276 -7.005 2.436 637 HD1 TRP 82 1HD TRP 82 -10.696 -6.060 -1.021 638 HE1 TRP 82 1HE TRP 82 -13.108 -5.560 -1.440 639 HE3 TRP 82 3HE TRP 82 -12.532 -7.950 3.223 640 HZ2 TRP 82 2HZ TRP 82 -15.485 -5.861 -0.151 641 HZ3 TRP 82 3HZ TRP 82 -14.910 -7.866 3.562 642 HH2 TRP 82 2HH TRP 82 -16.397 -6.810 1.784 643 H ARG 83 H ARG 83 -7.762 -6.679 2.808 644 HA ARG 83 HA ARG 83 -8.628 -4.386 4.153 645 HB2 ARG 83 1HB ARG 83 -7.366 -5.016 5.883 646 HB3 ARG 83 2HB ARG 83 -7.938 -6.498 5.110 647 HG2 ARG 83 1HG ARG 83 -5.577 -6.396 4.010 648 HG3 ARG 83 2HG ARG 83 -5.194 -5.448 5.454 649 HD2 ARG 83 1HD ARG 83 -6.165 -8.283 5.271 650 HD3 ARG 83 2HD ARG 83 -4.736 -7.625 6.058 651 HE ARG 83 HE ARG 83 -6.598 -6.520 7.509 652 HH11 ARG 83 1HH1 ARG 83 -6.345 -9.889 6.261 653 HH12 ARG 83 2HH1 ARG 83 -7.051 -10.607 7.589 654 HH21 ARG 83 1HH2 ARG 83 -7.614 -7.561 9.430 655 HH22 ARG 83 2HH2 ARG 83 -7.798 -9.253 9.457 656 H TYR 84 H TYR 84 -6.401 -4.803 1.862 657 HA TYR 84 HA TYR 84 -4.864 -2.459 2.144 658 HB2 TYR 84 2HB TYR 84 -4.323 -4.149 0.441 659 HB3 TYR 84 1HB TYR 84 -5.917 -4.026 -0.160 660 HD1 TYR 84 1HD TYR 84 -2.634 -1.844 -0.185 661 HD2 TYR 84 2HD TYR 84 -6.596 -2.675 -1.657 662 HE1 TYR 84 1HE TYR 84 -2.324 -0.366 -1.829 663 HE2 TYR 84 2HE TYR 84 -6.196 -1.043 -3.456 664 HH TYR 84 HH TYR 84 -3.091 0.153 -4.069 665 H LEU 85 H LEU 85 -7.725 -3.141 0.236 666 HA LEU 85 HA LEU 85 -8.217 -0.383 -0.128 667 HB2 LEU 85 1HB LEU 85 -10.169 -0.911 -1.371 668 HB3 LEU 85 2HB LEU 85 -8.493 -1.219 -2.034 669 HG LEU 85 HG LEU 85 -10.327 -2.745 -2.867 670 HD11 LEU 85 1HD1 LEU 85 -8.179 -3.707 -2.544 671 HD12 LEU 85 2HD1 LEU 85 -9.487 -4.860 -2.116 672 HD13 LEU 85 3HD1 LEU 85 -8.610 -3.960 -0.854 673 HD21 LEU 85 1HD2 LEU 85 -11.563 -4.115 -1.316 674 HD22 LEU 85 2HD2 LEU 85 -11.812 -2.375 -0.970 675 HD23 LEU 85 3HD2 LEU 85 -10.716 -3.329 0.016 676 H TYR 86 H TYR 86 -8.968 -1.578 2.303 677 HA TYR 86 HA TYR 86 -11.671 -1.409 2.753 678 HB2 TYR 86 2HB TYR 86 -9.293 -1.254 3.884 679 HB3 TYR 86 1HB TYR 86 -10.403 -0.581 5.020 680 HD1 TYR 86 1HD TYR 86 -10.673 -3.309 2.607 681 HD2 TYR 86 2HD TYR 86 -10.424 -2.463 6.754 682 HE1 TYR 86 1HE TYR 86 -11.204 -5.416 2.985 683 HE2 TYR 86 2HE TYR 86 -10.967 -4.774 7.260 684 HH TYR 86 HH TYR 86 -11.033 -7.214 4.803 685 H GLY 87 H GLY 87 -9.262 0.726 2.094 686 HA2 GLY 87 1HA GLY 87 -10.585 3.027 1.621 687 HA3 GLY 87 2HA GLY 87 -9.849 3.324 3.220 688 H VAL 88 H VAL 88 -9.718 2.339 -0.047 689 HA VAL 88 HA VAL 88 -7.303 3.839 -0.336 690 HB VAL 88 HB VAL 88 -7.837 1.194 -1.707 691 HG11 VAL 88 1HG1 VAL 88 -5.584 1.523 -2.673 692 HG12 VAL 88 2HG1 VAL 88 -5.473 3.095 -1.882 693 HG13 VAL 88 3HG1 VAL 88 -6.677 2.827 -3.145 694 HG21 VAL 88 1HG2 VAL 88 -5.691 1.968 0.182 695 HG22 VAL 88 2HG2 VAL 88 -6.118 0.301 -0.405 696 HG23 VAL 88 3HG2 VAL 88 -7.221 1.246 0.616 697 H LYS 89 H LYS 89 -7.784 5.102 -2.122 698 HA LYS 89 HA LYS 89 -8.239 4.379 -4.621 699 HB2 LYS 89 1HB LYS 89 -10.920 5.171 -3.434 700 HB3 LYS 89 2HB LYS 89 -10.571 5.708 -5.085 701 HG2 LYS 89 1HG LYS 89 -10.615 2.888 -4.044 702 HG3 LYS 89 2HG LYS 89 -11.940 3.686 -4.879 703 HD2 LYS 89 1HD LYS 89 -10.707 3.789 -6.904 704 HD3 LYS 89 2HD LYS 89 -9.212 3.302 -6.099 705 HE2 LYS 89 1HE LYS 89 -10.390 1.487 -7.400 706 HE3 LYS 89 2HE LYS 89 -10.015 1.107 -5.720 707 HZ1 LYS 89 1HZ LYS 89 -12.680 2.065 -6.649 708 HZ2 LYS 89 2HZ LYS 89 -12.243 1.536 -5.096 709 HZ3 LYS 89 3HZ LYS 89 -12.270 0.440 -6.364 710 HA PRO 90 HA PRO 90 -7.316 8.973 -4.097 711 HB2 PRO 90 2HB PRO 90 -8.641 9.747 -1.718 712 HB3 PRO 90 1HB PRO 90 -8.862 10.543 -3.318 713 HG2 PRO 90 2HG PRO 90 -10.865 9.311 -2.138 714 HG3 PRO 90 1HG PRO 90 -10.570 9.016 -3.868 715 HD2 PRO 90 2HD PRO 90 -9.721 7.341 -1.544 716 HD3 PRO 90 1HD PRO 90 -10.600 6.901 -3.031 717 H GLY 91 H GLY 91 -7.102 10.327 -1.479 718 HA2 GLY 91 1HA GLY 91 -4.990 9.146 -0.817 719 HA3 GLY 91 2HA GLY 91 -5.324 10.644 0.016 720 H ALA 92 H ALA 92 -6.846 8.083 -0.292 721 HA ALA 92 HA ALA 92 -7.695 7.055 2.238 722 HB1 ALA 92 1HB ALA 92 -7.385 5.810 -0.391 723 HB2 ALA 92 2HB ALA 92 -8.761 6.729 0.145 724 HB3 ALA 92 3HB ALA 92 -8.396 5.100 0.872 725 H THR 93 H THR 93 -5.296 6.312 0.165 726 HA THR 93 HA THR 93 -3.830 4.287 1.065 727 HB THR 93 HB THR 93 -3.123 5.415 -0.729 728 HG1 THR 93 1HG THR 93 -1.475 4.893 0.946 729 HG21 THR 93 1HG2 THR 93 -4.152 7.381 -0.594 730 HG22 THR 93 2HG2 THR 93 -2.433 7.895 -0.629 731 HG23 THR 93 3HG2 THR 93 -3.347 7.918 0.844 732 H ARG 94 H ARG 94 -3.987 7.526 2.372 733 HA ARG 94 HA ARG 94 -3.025 8.634 4.018 734 HB2 ARG 94 1HB ARG 94 -3.308 5.953 5.222 735 HB3 ARG 94 2HB ARG 94 -2.372 7.313 5.920 736 HG2 ARG 94 1HG ARG 94 -4.590 7.334 6.968 737 HG3 ARG 94 2HG ARG 94 -4.572 8.635 5.787 738 HD2 ARG 94 1HD ARG 94 -5.908 7.169 4.187 739 HD3 ARG 94 2HD ARG 94 -5.705 5.889 5.351 740 HE ARG 94 HE ARG 94 -6.909 7.999 6.681 741 HH11 ARG 94 1HH1 ARG 94 -7.594 5.663 4.144 742 HH12 ARG 94 2HH1 ARG 94 -9.259 5.527 4.478 743 HH21 ARG 94 1HH2 ARG 94 -9.110 7.821 7.258 744 HH22 ARG 94 2HH2 ARG 94 -10.186 6.857 6.351 745 H VAL 95 H VAL 95 -1.128 6.799 2.093 746 HA VAL 95 HA VAL 95 1.130 7.728 3.455 747 HB VAL 95 HB VAL 95 2.293 5.860 3.735 748 HG11 VAL 95 1HG1 VAL 95 0.244 5.754 4.745 749 HG12 VAL 95 2HG1 VAL 95 0.970 4.170 4.609 750 HG13 VAL 95 3HG1 VAL 95 -0.398 4.730 3.462 751 HG21 VAL 95 1HG2 VAL 95 2.330 4.000 2.333 752 HG22 VAL 95 2HG2 VAL 95 2.411 5.553 1.433 753 HG23 VAL 95 3HG2 VAL 95 0.906 4.590 1.397 754 H ASP 96 H ASP 96 2.611 8.007 2.474 755 HA ASP 96 HA ASP 96 3.201 7.751 -0.449 756 HB2 ASP 96 1HB ASP 96 2.054 9.994 0.413 757 HB3 ASP 96 2HB ASP 96 3.599 10.210 1.220 758 H LEU 97 H LEU 97 4.113 6.128 1.400 759 HA LEU 97 HA LEU 97 5.259 5.485 2.785 760 HB2 LEU 97 1HB LEU 97 7.718 5.742 1.188 761 HB3 LEU 97 2HB LEU 97 6.985 4.690 2.224 762 HG LEU 97 HG LEU 97 5.110 5.082 0.324 763 HD11 LEU 97 1HD1 LEU 97 7.840 4.159 -0.480 764 HD12 LEU 97 2HD1 LEU 97 7.278 5.768 -0.973 765 HD13 LEU 97 3HD1 LEU 97 6.510 4.284 -1.603 766 HD21 LEU 97 1HD2 LEU 97 5.488 3.228 1.748 767 HD22 LEU 97 2HD2 LEU 97 7.155 3.412 0.996 768 HD23 LEU 97 3HD2 LEU 97 5.758 2.842 -0.040 769 H ASP 98 H ASP 98 5.822 8.703 2.757 770 HA ASP 98 HA ASP 98 7.197 8.771 5.229 771 HB2 ASP 98 1HB ASP 98 5.926 10.637 3.270 772 HB3 ASP 98 2HB ASP 98 6.181 11.286 4.856 773 H GLY 99 H GLY 99 4.229 8.541 3.739 774 HA2 GLY 99 1HA GLY 99 2.437 7.454 4.770 775 HA3 GLY 99 2HA GLY 99 2.878 8.007 6.236 776 H ASN 100 H ASN 100 2.455 9.971 3.286 777 HA ASN 100 HA ASN 100 0.451 11.898 4.250 778 HB2 ASN 100 1HB ASN 100 2.460 11.317 2.193 779 HB3 ASN 100 2HB ASN 100 1.330 12.427 1.663 780 HD21 ASN 100 1HD2 ASN 100 4.184 13.959 2.794 781 HD22 ASN 100 2HD2 ASN 100 3.924 12.680 1.681 782 HA PRO 101 HA PRO 101 -2.436 9.142 2.250 783 HB2 PRO 101 2HB PRO 101 -4.000 11.549 1.513 784 HB3 PRO 101 1HB PRO 101 -4.315 10.228 2.556 785 HG2 PRO 101 2HG PRO 101 -3.686 12.617 3.678 786 HG3 PRO 101 1HG PRO 101 -2.869 11.154 4.345 787 HD2 PRO 101 2HD PRO 101 -2.138 12.673 2.056 788 HD3 PRO 101 1HD PRO 101 -1.083 12.879 3.343 789 H CYS 102 H CYS 102 -0.649 9.001 0.606 790 HA CYS 102 HA CYS 102 0.526 9.598 -1.230 791 HB2 CYS 102 2HB CYS 102 -0.632 8.389 -2.666 792 HB3 CYS 102 1HB CYS 102 -2.210 8.797 -2.241 793 HG CYS 102 HG CYS 102 -2.650 10.124 -4.299 794 H GLY 103 H GLY 103 -0.837 11.509 0.414 795 HA2 GLY 103 1HA GLY 103 -0.529 13.783 1.070 796 HA3 GLY 103 2HA GLY 103 0.424 13.943 -0.390 797 H GLU 104 H GLU 104 -2.223 12.529 -0.884 798 HA GLU 104 HA GLU 104 -3.338 14.490 -2.588 799 HB2 GLU 104 1HB GLU 104 -3.443 12.512 -3.735 800 HB3 GLU 104 2HB GLU 104 -3.123 11.698 -2.197 801 HG2 GLU 104 1HG GLU 104 -5.057 11.264 -1.686 802 HG3 GLU 104 2HG GLU 104 -5.859 12.513 -2.709 803 H LEU 105 H LEU 105 -4.435 12.683 0.401 804 HA LEU 105 HA LEU 105 -6.724 14.527 0.442 805 HB2 LEU 105 1HB LEU 105 -7.042 12.043 -0.684 806 HB3 LEU 105 2HB LEU 105 -7.031 11.684 0.912 807 HG LEU 105 HG LEU 105 -8.839 13.922 0.297 808 HD11 LEU 105 1HD1 LEU 105 -8.910 11.288 -0.802 809 HD12 LEU 105 2HD1 LEU 105 -9.764 12.748 -1.404 810 HD13 LEU 105 3HD1 LEU 105 -10.416 11.763 -0.006 811 HD21 LEU 105 1HD2 LEU 105 -9.827 11.750 1.776 812 HD22 LEU 105 2HD2 LEU 105 -9.335 13.447 2.183 813 HD23 LEU 105 3HD2 LEU 105 -8.132 12.197 2.190 814 H ASP 106 H ASP 106 -7.798 14.530 2.225 815 HA ASP 106 HA ASP 106 -6.630 14.560 4.906 816 HB2 ASP 106 1HB ASP 106 -8.433 16.110 3.792 817 HB3 ASP 106 2HB ASP 106 -9.380 14.694 3.649 818 H GLU 107 H GLU 107 -9.058 13.345 5.848 819 HA GLU 107 HA GLU 107 -9.147 10.647 4.639 820 HB2 GLU 107 1HB GLU 107 -8.643 9.568 6.568 821 HB3 GLU 107 2HB GLU 107 -7.972 11.197 6.889 822 HG2 GLU 107 1HG GLU 107 -9.573 11.828 8.284 823 HG3 GLU 107 2HG GLU 107 -10.758 10.930 7.449 824 H GLN 108 H GLN 108 -10.892 13.241 5.358 825 HA GLN 108 HA GLN 108 -13.377 11.720 5.556 826 HB2 GLN 108 1HB GLN 108 -12.402 13.785 6.979 827 HB3 GLN 108 2HB GLN 108 -13.144 14.556 5.571 828 HG2 GLN 108 1HG GLN 108 -14.989 14.314 7.146 829 HG3 GLN 108 2HG GLN 108 -14.987 12.940 5.983 830 HE21 GLN 108 1HE2 GLN 108 -14.031 12.133 9.819 831 HE22 GLN 108 2HE2 GLN 108 -14.016 13.765 9.240 832 H HIS 109 H HIS 109 -11.308 12.241 3.469 833 HA HIS 109 HA HIS 109 -13.589 12.155 1.732 834 HB2 HIS 109 1HB HIS 109 -10.975 13.114 1.368 835 HB3 HIS 109 2HB HIS 109 -12.096 13.196 -0.034 836 HD1 HIS 109 HD1 HIS 109 -13.936 15.228 0.034 837 HD2 HIS 109 HD2 HIS 109 -11.212 15.342 3.189 838 HE1 HIS 109 HE1 HIS 109 -14.245 17.461 1.124 839 HE2 HIS 109 HE2 HIS 109 -12.803 17.346 3.191 840 H VAL 110 H VAL 110 -10.859 10.858 2.733 841 HA VAL 110 HA VAL 110 -11.278 9.125 0.736 842 HB VAL 110 HB VAL 110 -9.393 7.673 1.781 843 HG11 VAL 110 1HG1 VAL 110 -9.346 10.423 0.798 844 HG12 VAL 110 2HG1 VAL 110 -9.597 8.968 -0.191 845 HG13 VAL 110 3HG1 VAL 110 -7.967 9.352 0.449 846 HG21 VAL 110 1HG2 VAL 110 -9.386 8.924 3.869 847 HG22 VAL 110 2HG2 VAL 110 -9.088 10.381 2.853 848 HG23 VAL 110 3HG2 VAL 110 -7.843 9.134 2.978 849 H GLU 111 H GLU 111 -12.398 9.836 3.008 850 HA GLU 111 HA GLU 111 -13.545 7.941 4.734 851 HB2 GLU 111 1HB GLU 111 -13.606 10.133 5.027 852 HB3 GLU 111 2HB GLU 111 -14.306 10.765 3.845 853 HG2 GLU 111 1HG GLU 111 -15.629 8.568 5.122 854 HG3 GLU 111 2HG GLU 111 -15.799 10.163 5.938 855 H HIS 112 H HIS 112 -14.232 9.074 1.565 856 HA HIS 112 HA HIS 112 -16.363 7.223 1.199 857 HB2 HIS 112 1HB HIS 112 -14.748 8.872 -0.455 858 HB3 HIS 112 2HB HIS 112 -16.220 8.133 -1.175 859 HD1 HIS 112 HD1 HIS 112 -18.579 9.157 -0.137 860 HD2 HIS 112 HD2 HIS 112 -15.134 11.137 0.999 861 HE1 HIS 112 HE1 HIS 112 -19.369 11.240 0.986 862 HE2 HIS 112 HE2 HIS 112 -17.297 11.773 2.211 863 H ALA 113 H ALA 113 -13.132 7.087 0.977 864 HA ALA 113 HA ALA 113 -13.127 4.961 -0.762 865 HB1 ALA 113 1HB ALA 113 -11.597 6.888 0.076 866 HB2 ALA 113 2HB ALA 113 -10.988 5.407 -0.808 867 HB3 ALA 113 3HB ALA 113 -11.021 5.482 1.015 868 H ARG 114 H ARG 114 -13.157 5.777 2.462 869 HA ARG 114 HA ARG 114 -12.357 3.464 3.558 870 HB2 ARG 114 1HB ARG 114 -12.570 5.817 4.620 871 HB3 ARG 114 2HB ARG 114 -14.249 5.425 4.868 872 HG2 ARG 114 1HG ARG 114 -13.353 3.380 6.164 873 HG3 ARG 114 2HG ARG 114 -11.844 4.291 6.217 874 HD2 ARG 114 1HD ARG 114 -14.507 4.961 7.449 875 HD3 ARG 114 2HD ARG 114 -12.929 4.892 8.211 876 HE ARG 114 HE ARG 114 -13.930 7.052 6.481 877 HH11 ARG 114 1HH1 ARG 114 -11.488 6.057 8.945 878 HH12 ARG 114 2HH1 ARG 114 -11.176 7.690 9.372 879 HH21 ARG 114 1HH2 ARG 114 -13.418 9.327 7.324 880 HH22 ARG 114 2HH2 ARG 114 -12.213 9.397 8.524 881 H LYS 115 H LYS 115 -15.236 4.484 1.804 882 HA LYS 115 HA LYS 115 -17.001 2.743 3.182 883 HB2 LYS 115 1HB LYS 115 -18.554 4.561 3.064 884 HB3 LYS 115 2HB LYS 115 -16.990 5.404 3.002 885 HG2 LYS 115 1HG LYS 115 -18.074 6.437 1.397 886 HG3 LYS 115 2HG LYS 115 -17.077 5.231 0.567 887 HD2 LYS 115 1HD LYS 115 -19.212 3.785 0.647 888 HD3 LYS 115 2HD LYS 115 -20.044 5.325 0.929 889 HE2 LYS 115 1HE LYS 115 -18.976 6.258 -1.017 890 HE3 LYS 115 2HE LYS 115 -18.131 4.699 -1.201 891 HZ1 LYS 115 1HZ LYS 115 -20.426 3.686 -1.447 892 HZ2 LYS 115 2HZ LYS 115 -20.026 4.543 -2.712 893 HZ3 LYS 115 3HZ LYS 115 -21.116 5.203 -1.564 894 H GLN 116 H GLN 116 -15.136 3.595 0.301 895 HA GLN 116 HA GLN 116 -16.864 2.288 -1.067 896 HB2 GLN 116 1HB GLN 116 -15.221 2.071 -2.983 897 HB3 GLN 116 2HB GLN 116 -15.449 3.679 -2.314 898 HG2 GLN 116 1HG GLN 116 -13.229 3.632 -2.472 899 HG3 GLN 116 2HG GLN 116 -13.537 2.994 -0.826 900 HE21 GLN 116 1HE2 GLN 116 -12.243 -0.227 -1.619 901 HE22 GLN 116 2HE2 GLN 116 -13.224 0.662 -0.547 902 H LEU 117 H LEU 117 -14.844 0.893 1.143 903 HA LEU 117 HA LEU 117 -15.097 -1.771 0.176 904 HB2 LEU 117 1HB LEU 117 -13.342 -1.605 1.178 905 HB3 LEU 117 2HB LEU 117 -13.284 -0.682 2.481 906 HG LEU 117 HG LEU 117 -15.241 -2.692 2.542 907 HD11 LEU 117 1HD1 LEU 117 -12.426 -3.042 2.075 908 HD12 LEU 117 2HD1 LEU 117 -13.767 -3.611 1.010 909 HD13 LEU 117 3HD1 LEU 117 -13.329 -4.534 2.461 910 HD21 LEU 117 1HD2 LEU 117 -14.070 -3.353 4.671 911 HD22 LEU 117 2HD2 LEU 117 -14.577 -1.666 4.612 912 HD23 LEU 117 3HD2 LEU 117 -12.886 -2.091 4.340 913 H GLU 118 H GLU 118 -17.255 0.489 1.616 914 HA GLU 118 HA GLU 118 -18.658 -1.724 2.461 915 HB2 GLU 118 1HB GLU 118 -18.710 0.288 3.939 916 HB3 GLU 118 2HB GLU 118 -19.461 1.209 2.647 917 HG2 GLU 118 1HG GLU 118 -21.110 0.581 4.336 918 HG3 GLU 118 2HG GLU 118 -21.469 -0.204 2.800 919 H GLU 119 H GLU 119 -17.929 -0.492 -0.170 920 HA GLU 119 HA GLU 119 -20.397 -0.653 -1.535 921 HB2 GLU 119 1HB GLU 119 -17.596 -0.494 -2.504 922 HB3 GLU 119 2HB GLU 119 -18.982 -0.360 -3.630 923 HG2 GLU 119 1HG GLU 119 -18.473 1.224 -1.276 924 HG3 GLU 119 2HG GLU 119 -17.780 1.758 -2.842 925 H ALA 120 H ALA 120 -17.332 -2.068 -1.016 926 HA ALA 120 HA ALA 120 -17.499 -4.410 -2.517 927 HB1 ALA 120 1HB ALA 120 -15.677 -3.923 -0.269 928 HB2 ALA 120 2HB ALA 120 -15.546 -3.049 -1.796 929 HB3 ALA 120 3HB ALA 120 -15.419 -4.822 -1.795 930 H LYS 121 H LYS 121 -17.531 -3.964 0.797 931 HA LYS 121 HA LYS 121 -18.195 -6.446 1.767 932 HB2 LYS 121 1HB LYS 121 -18.175 -3.726 2.408 933 HB3 LYS 121 2HB LYS 121 -19.366 -4.669 3.422 934 HG2 LYS 121 1HG LYS 121 -17.525 -5.956 3.797 935 HG3 LYS 121 2HG LYS 121 -16.552 -4.965 2.754 936 HD2 LYS 121 1HD LYS 121 -16.389 -4.332 5.345 937 HD3 LYS 121 2HD LYS 121 -16.424 -3.346 3.854 938 HE2 LYS 121 1HE LYS 121 -17.793 -2.256 5.594 939 HE3 LYS 121 2HE LYS 121 -18.561 -2.772 4.082 940 HZ1 LYS 121 1HZ LYS 121 -18.948 -4.253 6.654 941 HZ2 LYS 121 2HZ LYS 121 -19.774 -4.411 5.130 942 HZ3 LYS 121 3HZ LYS 121 -19.902 -3.018 5.974 943 H ALA 122 H ALA 122 -20.271 -4.001 1.312 944 HA ALA 122 HA ALA 122 -22.560 -5.216 1.538 945 HB1 ALA 122 1HB ALA 122 -22.005 -2.989 1.423 946 HB2 ALA 122 2HB ALA 122 -23.494 -3.420 0.485 947 HB3 ALA 122 3HB ALA 122 -21.907 -3.133 -0.341 948 H ARG 123 H ARG 123 -20.280 -5.617 -1.153 949 HA ARG 123 HA ARG 123 -22.323 -6.329 -2.860 950 HB2 ARG 123 1HB ARG 123 -20.842 -5.696 -4.465 951 HB3 ARG 123 2HB ARG 123 -19.833 -5.305 -3.038 952 HG2 ARG 123 1HG ARG 123 -18.972 -7.539 -3.085 953 HG3 ARG 123 2HG ARG 123 -19.722 -7.836 -4.676 954 HD2 ARG 123 1HD ARG 123 -18.501 -5.719 -5.424 955 HD3 ARG 123 2HD ARG 123 -17.746 -5.863 -3.815 956 HE ARG 123 HE ARG 123 -17.269 -8.283 -5.064 957 HH11 ARG 123 1HH1 ARG 123 -16.451 -4.929 -5.765 958 HH12 ARG 123 2HH1 ARG 123 -14.994 -5.282 -6.589 959 HH21 ARG 123 1HH2 ARG 123 -15.297 -8.808 -6.175 960 HH22 ARG 123 2HH2 ARG 123 -14.310 -7.599 -6.828 961 H VAL 124 H VAL 124 -20.276 -7.358 -0.732 962 HA VAL 124 HA VAL 124 -19.490 -9.840 -1.851 963 HB VAL 124 HB VAL 124 -18.943 -8.601 0.753 964 HG11 VAL 124 1HG1 VAL 124 -18.926 -10.905 1.103 965 HG12 VAL 124 2HG1 VAL 124 -17.196 -10.397 0.994 966 HG13 VAL 124 3HG1 VAL 124 -18.050 -11.149 -0.409 967 HG21 VAL 124 1HG2 VAL 124 -16.684 -8.443 -0.105 968 HG22 VAL 124 2HG2 VAL 124 -18.003 -7.605 -0.953 969 HG23 VAL 124 3HG2 VAL 124 -17.309 -9.082 -1.666 970 H GLN 125 H GLN 125 -20.793 -8.686 0.755 971 HA GLN 125 HA GLN 125 -22.107 -9.212 2.449 972 HB2 GLN 125 1HB GLN 125 -22.280 -8.308 0.506 973 HB3 GLN 125 2HB GLN 125 -23.056 -7.664 1.364 974 HG2 GLN 125 1HG GLN 125 -24.038 -7.963 -0.922 975 HG3 GLN 125 2HG GLN 125 -23.213 -9.535 -0.905 976 HE21 GLN 125 1HE2 GLN 125 -26.470 -10.753 -1.324 977 HE22 GLN 125 2HE2 GLN 125 -24.975 -10.328 -2.106 978 H ALA 126 H ALA 126 -21.923 -12.009 0.558 979 HA ALA 126 HA ALA 126 -23.745 -13.440 1.924 980 HB1 ALA 126 1HB ALA 126 -25.295 -12.710 0.701 981 HB2 ALA 126 2HB ALA 126 -24.793 -13.959 -0.493 982 HB3 ALA 126 3HB ALA 126 -24.264 -12.226 -0.628 983 H GLN 127 H GLN 127 -23.714 -15.406 -0.677 984 HA GLN 127 HA GLN 127 -21.491 -16.744 -0.416 985 HB2 GLN 127 1HB GLN 127 -23.936 -16.723 -1.579 986 HB3 GLN 127 2HB GLN 127 -22.890 -16.478 -2.948 987 HG2 GLN 127 1HG GLN 127 -22.739 -18.461 -0.849 988 HG3 GLN 127 2HG GLN 127 -23.508 -18.860 -2.394 989 HE21 GLN 127 1HE2 GLN 127 -19.982 -18.413 -3.841 990 HE22 GLN 127 2HE2 GLN 127 -21.376 -17.381 -3.873 991 H ARG 128 H ARG 128 -19.501 -16.253 -1.096 992 HA ARG 128 HA ARG 128 -18.737 -14.006 -2.103 993 HB2 ARG 128 1HB ARG 128 -17.333 -16.587 -1.971 994 HB3 ARG 128 2HB ARG 128 -16.865 -15.042 -2.766 995 HG2 ARG 128 1HG ARG 128 -17.787 -14.946 0.033 996 HG3 ARG 128 2HG ARG 128 -16.082 -15.477 -0.185 997 HD2 ARG 128 1HD ARG 128 -17.542 -13.048 -0.990 998 HD3 ARG 128 2HD ARG 128 -16.308 -13.112 0.264 999 HE ARG 128 HE ARG 128 -14.747 -13.726 -1.624 1000 HH11 ARG 128 1HH1 ARG 128 -17.610 -11.672 -2.243 1001 HH12 ARG 128 2HH1 ARG 128 -16.911 -10.855 -3.557 1002 HH21 ARG 128 1HH2 ARG 128 -13.762 -12.484 -3.430 1003 HH22 ARG 128 2HH2 ARG 128 -14.703 -11.308 -4.220 1004 H ALA 129 H ALA 129 -20.324 -15.032 -3.911 1005 HA ALA 129 HA ALA 129 -19.309 -16.365 -6.026 1006 HB1 ALA 129 1HB ALA 129 -21.128 -16.272 -7.144 1007 HB2 ALA 129 2HB ALA 129 -21.817 -14.856 -6.279 1008 HB3 ALA 129 3HB ALA 129 -21.624 -16.443 -5.446 1009 H GLU 130 H GLU 130 -17.810 -15.533 -7.129 1010 HA GLU 130 HA GLU 130 -17.803 -13.837 -9.113 1011 HB2 GLU 130 1HB GLU 130 -16.512 -11.776 -8.246 1012 HB3 GLU 130 2HB GLU 130 -18.208 -11.812 -7.797 1013 HG2 GLU 130 1HG GLU 130 -17.741 -12.317 -5.589 1014 HG3 GLU 130 2HG GLU 130 -16.127 -12.892 -5.949 1015 H GLN 131 H GLN 131 -15.986 -14.565 -6.207 1016 HA GLN 131 HA GLN 131 -13.754 -15.525 -7.855 1017 HB2 GLN 131 1HB GLN 131 -13.531 -14.731 -4.935 1018 HB3 GLN 131 2HB GLN 131 -12.231 -14.990 -6.079 1019 HG2 GLN 131 1HG GLN 131 -14.130 -12.650 -6.008 1020 HG3 GLN 131 2HG GLN 131 -12.439 -12.651 -5.548 1021 HE21 GLN 131 1HE2 GLN 131 -13.137 -11.358 -9.019 1022 HE22 GLN 131 2HE2 GLN 131 -13.967 -11.131 -7.503 1023 H GLN 132 H GLN 132 -14.946 -17.435 -8.022 1024 HA GLN 132 HA GLN 132 -15.086 -19.035 -5.635 1025 HB2 GLN 132 1HB GLN 132 -17.319 -18.241 -7.392 1026 HB3 GLN 132 2HB GLN 132 -17.228 -19.911 -6.723 1027 HG2 GLN 132 1HG GLN 132 -17.193 -17.346 -5.203 1028 HG3 GLN 132 2HG GLN 132 -18.644 -18.346 -5.423 1029 HE21 GLN 132 1HE2 GLN 132 -17.593 -20.711 -3.026 1030 HE22 GLN 132 2HE2 GLN 132 -18.601 -20.484 -4.399 1031 H ALA 133 H ALA 133 -15.127 -21.308 -6.100 1032 HA ALA 133 HA ALA 133 -14.726 -22.157 -8.797 1033 HB1 ALA 133 1HB ALA 133 -12.456 -21.698 -8.004 1034 HB2 ALA 133 2HB ALA 133 -12.728 -23.432 -8.160 1035 HB3 ALA 133 3HB ALA 133 -12.745 -22.676 -6.560 Start of MODEL 11 1 H1 MET 1 1H MET 1 23.129 11.375 7.213 2 H2 MET 1 2H MET 1 24.028 12.803 7.304 3 H3 MET 1 3H MET 1 23.336 12.302 5.828 4 HA MET 1 HA MET 1 21.838 12.945 8.238 5 HB2 MET 1 1HB MET 1 21.023 14.933 6.585 6 HB3 MET 1 2HB MET 1 22.343 15.122 7.718 7 HG2 MET 1 1HG MET 1 22.967 16.064 5.593 8 HG3 MET 1 2HG MET 1 23.943 14.637 5.901 9 HE1 MET 1 1HE MET 1 20.652 15.090 2.697 10 HE2 MET 1 2HE MET 1 21.361 16.410 3.626 11 HE3 MET 1 3HE MET 1 20.284 15.258 4.414 12 H GLY 2 H GLY 2 21.041 13.068 4.718 13 HA2 GLY 2 1HA GLY 2 18.548 11.725 5.328 14 HA3 GLY 2 2HA GLY 2 19.086 12.302 3.750 15 H SER 3 H SER 3 20.483 10.138 6.099 16 HA SER 3 HA SER 3 21.483 8.395 4.048 17 HB2 SER 3 1HB SER 3 21.727 8.233 7.054 18 HB3 SER 3 2HB SER 3 22.748 7.428 5.860 19 HG SER 3 HG SER 3 23.740 9.193 5.430 20 H SER 4 H SER 4 18.592 8.658 5.593 21 HA SER 4 HA SER 4 18.116 5.838 5.993 22 HB2 SER 4 1HB SER 4 16.289 8.226 6.349 23 HB3 SER 4 2HB SER 4 15.912 6.569 6.835 24 HG SER 4 HG SER 4 16.915 8.209 8.393 25 H HIS 5 H HIS 5 18.445 7.513 3.360 26 HA HIS 5 HA HIS 5 16.211 6.948 1.715 27 HB2 HIS 5 1HB HIS 5 18.069 8.514 1.091 28 HB3 HIS 5 2HB HIS 5 19.161 7.148 0.976 29 HD1 HIS 5 HD1 HIS 5 16.775 9.167 -1.042 30 HD2 HIS 5 HD2 HIS 5 18.549 5.412 -1.317 31 HE1 HIS 5 HE1 HIS 5 16.715 8.582 -3.423 32 HE2 HIS 5 HE2 HIS 5 17.151 6.173 -3.349 33 H HIS 6 H HIS 6 18.827 5.076 2.961 34 HA HIS 6 HA HIS 6 17.704 2.617 1.791 35 HB2 HIS 6 1HB HIS 6 20.037 3.212 0.894 36 HB3 HIS 6 2HB HIS 6 20.618 3.128 2.546 37 HD1 HIS 6 HD1 HIS 6 20.389 0.565 3.681 38 HD2 HIS 6 HD2 HIS 6 20.125 0.856 -0.473 39 HE1 HIS 6 HE1 HIS 6 20.848 -1.721 2.817 40 HE2 HIS 6 HE2 HIS 6 20.513 -1.585 0.341 41 H HIS 7 H HIS 7 17.431 1.009 3.429 42 HA HIS 7 HA HIS 7 17.421 2.112 6.048 43 HB2 HIS 7 1HB HIS 7 16.594 -0.022 6.952 44 HB3 HIS 7 2HB HIS 7 15.668 0.476 5.561 45 HD1 HIS 7 HD1 HIS 7 18.087 -2.236 6.725 46 HD2 HIS 7 HD2 HIS 7 15.593 -1.389 3.496 47 HE1 HIS 7 HE1 HIS 7 17.841 -4.362 5.502 48 HE2 HIS 7 HE2 HIS 7 16.037 -3.908 3.855 49 H HIS 8 H HIS 8 18.824 2.285 7.403 50 HA HIS 8 HA HIS 8 21.339 0.875 7.031 51 HB2 HIS 8 1HB HIS 8 22.295 2.677 8.622 52 HB3 HIS 8 2HB HIS 8 21.854 3.176 6.998 53 HD1 HIS 8 HD1 HIS 8 20.601 3.410 10.565 54 HD2 HIS 8 HD2 HIS 8 19.995 5.179 6.864 55 HE1 HIS 8 HE1 HIS 8 19.118 5.416 11.003 56 HE2 HIS 8 HE2 HIS 8 18.603 6.329 8.695 57 H HIS 9 H HIS 9 20.413 -0.949 7.835 58 HA HIS 9 HA HIS 9 21.182 -1.726 10.382 59 HB2 HIS 9 1HB HIS 9 18.983 -0.277 10.822 60 HB3 HIS 9 2HB HIS 9 18.154 -1.645 10.098 61 HD1 HIS 9 HD1 HIS 9 17.329 -3.342 11.807 62 HD2 HIS 9 HD2 HIS 9 20.611 -1.153 13.180 63 HE1 HIS 9 HE1 HIS 9 17.658 -4.035 14.168 64 HE2 HIS 9 HE2 HIS 9 19.473 -2.534 15.046 65 H HIS 10 H HIS 10 20.920 -4.092 10.353 66 HA HIS 10 HA HIS 10 21.011 -5.497 8.010 67 HB2 HIS 10 1HB HIS 10 21.449 -6.565 10.182 68 HB3 HIS 10 2HB HIS 10 19.750 -6.451 10.606 69 HD1 HIS 10 HD1 HIS 10 18.078 -8.191 9.333 70 HD2 HIS 10 HD2 HIS 10 22.162 -8.787 8.651 71 HE1 HIS 10 HE1 HIS 10 18.276 -10.478 8.430 72 HE2 HIS 10 HE2 HIS 10 20.727 -10.924 8.298 73 H SER 11 H SER 11 18.080 -5.108 9.954 74 HA SER 11 HA SER 11 16.295 -4.545 7.907 75 HB2 SER 11 1HB SER 11 14.993 -6.599 8.221 76 HB3 SER 11 2HB SER 11 16.487 -6.932 7.349 77 HG SER 11 HG SER 11 15.622 -7.734 9.799 78 H GLN 12 H GLN 12 14.175 -4.514 8.871 79 HA GLN 12 HA GLN 12 14.494 -3.641 11.669 80 HB2 GLN 12 1HB GLN 12 12.991 -2.091 9.602 81 HB3 GLN 12 2HB GLN 12 13.578 -1.586 11.186 82 HG2 GLN 12 1HG GLN 12 15.837 -1.564 10.422 83 HG3 GLN 12 2HG GLN 12 15.400 -2.276 8.872 84 HE21 GLN 12 1HE2 GLN 12 13.547 1.081 8.418 85 HE22 GLN 12 2HE2 GLN 12 12.952 -0.480 8.822 86 H ASP 13 H ASP 13 13.366 -5.949 10.545 87 HA ASP 13 HA ASP 13 10.729 -5.656 10.136 88 HB2 ASP 13 1HB ASP 13 10.973 -8.025 10.129 89 HB3 ASP 13 2HB ASP 13 11.804 -7.162 8.850 90 HA PRO 14 HA PRO 14 9.658 -6.428 14.384 91 HB2 PRO 14 2HB PRO 14 6.905 -6.842 13.624 92 HB3 PRO 14 1HB PRO 14 7.648 -5.342 14.223 93 HG2 PRO 14 2HG PRO 14 6.700 -5.561 11.693 94 HG3 PRO 14 1HG PRO 14 8.080 -4.523 12.121 95 HD2 PRO 14 2HD PRO 14 8.131 -7.328 11.073 96 HD3 PRO 14 1HD PRO 14 9.003 -5.945 10.402 97 H MET 15 H MET 15 7.382 -8.673 12.542 98 HA MET 15 HA MET 15 7.900 -10.642 14.334 99 HB2 MET 15 1HB MET 15 6.529 -10.646 11.645 100 HB3 MET 15 2HB MET 15 6.772 -12.184 12.526 101 HG2 MET 15 1HG MET 15 5.414 -9.690 13.219 102 HG3 MET 15 2HG MET 15 4.699 -11.146 12.545 103 HE1 MET 15 1HE MET 15 3.751 -9.620 15.294 104 HE2 MET 15 2HE MET 15 3.379 -11.000 16.326 105 HE3 MET 15 3HE MET 15 2.902 -11.015 14.629 106 H GLU 16 H GLU 16 8.633 -10.485 10.886 107 HA GLU 16 HA GLU 16 11.364 -10.681 11.042 108 HB2 GLU 16 1HB GLU 16 11.950 -12.907 10.333 109 HB3 GLU 16 2HB GLU 16 11.018 -13.039 11.811 110 HG2 GLU 16 1HG GLU 16 9.144 -13.883 10.661 111 HG3 GLU 16 2HG GLU 16 9.794 -13.394 9.094 112 H ASN 17 H ASN 17 12.284 -10.378 9.204 113 HA ASN 17 HA ASN 17 11.066 -11.133 6.642 114 HB2 ASN 17 1HB ASN 17 10.652 -8.576 7.185 115 HB3 ASN 17 2HB ASN 17 12.339 -8.476 7.103 116 HD21 ASN 17 1HD2 ASN 17 11.954 -7.723 3.714 117 HD22 ASN 17 2HD2 ASN 17 12.390 -7.137 5.294 118 H GLN 18 H GLN 18 12.872 -12.191 8.276 119 HA GLN 18 HA GLN 18 15.481 -11.527 7.926 120 HB2 GLN 18 1HB GLN 18 13.824 -13.722 8.802 121 HB3 GLN 18 2HB GLN 18 15.493 -14.069 8.775 122 HG2 GLN 18 1HG GLN 18 13.881 -12.027 10.341 123 HG3 GLN 18 2HG GLN 18 14.905 -13.295 11.010 124 HE21 GLN 18 1HE2 GLN 18 16.300 -9.727 11.111 125 HE22 GLN 18 2HE2 GLN 18 14.695 -10.299 11.250 126 HA PRO 19 HA PRO 19 15.556 -14.592 4.106 127 HB2 PRO 19 2HB PRO 19 12.603 -15.045 4.040 128 HB3 PRO 19 1HB PRO 19 13.886 -16.196 3.523 129 HG2 PRO 19 2HG PRO 19 12.545 -16.560 5.731 130 HG3 PRO 19 1HG PRO 19 14.306 -16.793 5.720 131 HD2 PRO 19 2HD PRO 19 12.786 -14.512 6.955 132 HD3 PRO 19 1HD PRO 19 14.281 -15.310 7.392 133 H LYS 20 H LYS 20 15.672 -13.362 2.167 134 HA LYS 20 HA LYS 20 14.590 -11.004 1.993 135 HB2 LYS 20 1HB LYS 20 16.050 -12.838 0.264 136 HB3 LYS 20 2HB LYS 20 15.713 -11.173 -0.138 137 HG2 LYS 20 1HG LYS 20 17.260 -12.272 2.138 138 HG3 LYS 20 2HG LYS 20 17.957 -11.270 0.862 139 HD2 LYS 20 1HD LYS 20 17.591 -9.441 2.395 140 HD3 LYS 20 2HD LYS 20 15.962 -9.903 1.820 141 HE2 LYS 20 1HE LYS 20 15.340 -11.029 3.581 142 HE3 LYS 20 2HE LYS 20 16.884 -11.230 4.320 143 HZ1 LYS 20 1HZ LYS 20 15.299 -8.682 4.071 144 HZ2 LYS 20 2HZ LYS 20 16.727 -8.808 4.987 145 HZ3 LYS 20 3HZ LYS 20 15.332 -9.676 5.388 146 H LEU 21 H LEU 21 13.684 -10.021 0.122 147 HA LEU 21 HA LEU 21 11.128 -10.322 -0.160 148 HB2 LEU 21 1HB LEU 21 13.267 -9.211 -1.829 149 HB3 LEU 21 2HB LEU 21 11.685 -8.586 -1.910 150 HG LEU 21 HG LEU 21 13.863 -8.173 -0.279 151 HD11 LEU 21 1HD1 LEU 21 11.433 -6.931 -0.119 152 HD12 LEU 21 2HD1 LEU 21 12.352 -6.870 -1.743 153 HD13 LEU 21 3HD1 LEU 21 13.001 -6.134 -0.191 154 HD21 LEU 21 1HD2 LEU 21 11.266 -8.219 0.681 155 HD22 LEU 21 2HD2 LEU 21 12.764 -7.397 1.434 156 HD23 LEU 21 3HD2 LEU 21 12.641 -9.232 1.328 157 H ASN 22 H ASN 22 13.370 -10.721 -2.851 158 HA ASN 22 HA ASN 22 13.363 -11.640 -4.770 159 HB2 ASN 22 1HB ASN 22 12.885 -14.228 -4.775 160 HB3 ASN 22 2HB ASN 22 14.263 -13.614 -3.842 161 HD21 ASN 22 1HD2 ASN 22 12.759 -14.798 -1.154 162 HD22 ASN 22 2HD2 ASN 22 14.101 -13.877 -1.751 163 H SER 23 H SER 23 11.120 -10.414 -4.024 164 HA SER 23 HA SER 23 9.779 -9.376 -5.532 165 HB2 SER 23 1HB SER 23 10.405 -10.486 -7.551 166 HB3 SER 23 2HB SER 23 9.538 -11.959 -7.092 167 HG SER 23 HG SER 23 8.289 -10.879 -8.506 168 H SER 24 H SER 24 8.039 -8.644 -5.277 169 HA SER 24 HA SER 24 6.111 -8.174 -4.708 170 HB2 SER 24 1HB SER 24 5.392 -11.036 -5.267 171 HB3 SER 24 2HB SER 24 4.283 -9.661 -5.236 172 HG SER 24 HG SER 24 6.546 -9.887 -6.922 173 H LYS 25 H LYS 25 5.695 -11.378 -2.953 174 HA LYS 25 HA LYS 25 4.062 -10.179 -1.157 175 HB2 LYS 25 1HB LYS 25 3.925 -12.362 -1.799 176 HB3 LYS 25 2HB LYS 25 5.598 -12.656 -1.477 177 HG2 LYS 25 1HG LYS 25 5.361 -13.041 0.522 178 HG3 LYS 25 2HG LYS 25 4.440 -11.571 0.779 179 HD2 LYS 25 1HD LYS 25 3.140 -13.469 1.471 180 HD3 LYS 25 2HD LYS 25 2.559 -12.727 -0.058 181 HE2 LYS 25 1HE LYS 25 2.655 -15.279 -0.240 182 HE3 LYS 25 2HE LYS 25 3.584 -14.223 -1.347 183 HZ1 LYS 25 1HZ LYS 25 4.943 -15.390 1.035 184 HZ2 LYS 25 2HZ LYS 25 5.632 -14.729 -0.249 185 HZ3 LYS 25 3HZ LYS 25 4.921 -16.250 -0.412 186 H GLU 26 H GLU 26 7.061 -11.732 -0.738 187 HA GLU 26 HA GLU 26 7.266 -10.844 1.792 188 HB2 GLU 26 1HB GLU 26 9.305 -12.186 0.051 189 HB3 GLU 26 2HB GLU 26 9.832 -11.579 1.603 190 HG2 GLU 26 1HG GLU 26 9.317 -13.978 1.667 191 HG3 GLU 26 2HG GLU 26 8.294 -13.060 2.753 192 H VAL 27 H VAL 27 7.772 -8.990 -0.880 193 HA VAL 27 HA VAL 27 9.719 -7.179 0.396 194 HB VAL 27 HB VAL 27 10.343 -6.533 -1.565 195 HG11 VAL 27 1HG1 VAL 27 8.363 -8.282 -2.706 196 HG12 VAL 27 2HG1 VAL 27 9.887 -8.727 -1.810 197 HG13 VAL 27 3HG1 VAL 27 10.004 -7.793 -3.372 198 HG21 VAL 27 1HG2 VAL 27 8.930 -5.530 -3.166 199 HG22 VAL 27 2HG2 VAL 27 8.566 -5.101 -1.432 200 HG23 VAL 27 3HG2 VAL 27 7.542 -6.267 -2.293 201 H ILE 28 H ILE 28 6.183 -7.538 0.100 202 HA ILE 28 HA ILE 28 5.686 -4.966 0.810 203 HB ILE 28 HB ILE 28 4.579 -7.607 1.523 204 HG12 ILE 28 1HG1 ILE 28 3.379 -7.337 -0.620 205 HG13 ILE 28 2HG1 ILE 28 2.780 -6.325 0.545 206 HG21 ILE 28 1HG2 ILE 28 3.319 -4.912 2.262 207 HG22 ILE 28 2HG2 ILE 28 3.984 -6.109 3.374 208 HG23 ILE 28 3HG2 ILE 28 2.516 -6.467 2.467 209 HD11 ILE 28 1HD1 ILE 28 3.356 -5.131 -1.581 210 HD12 ILE 28 2HD1 ILE 28 4.969 -5.230 -0.830 211 HD13 ILE 28 3HD1 ILE 28 3.754 -4.315 -0.005 212 H ALA 29 H ALA 29 6.496 -7.849 2.389 213 HA ALA 29 HA ALA 29 6.619 -6.998 4.813 214 HB1 ALA 29 1HB ALA 29 6.700 -9.178 4.328 215 HB2 ALA 29 2HB ALA 29 8.303 -8.827 5.119 216 HB3 ALA 29 3HB ALA 29 8.106 -8.893 3.317 217 H PHE 30 H PHE 30 9.296 -6.716 2.417 218 HA PHE 30 HA PHE 30 11.072 -5.580 4.253 219 HB2 PHE 30 2HB PHE 30 12.262 -5.970 2.477 220 HB3 PHE 30 1HB PHE 30 10.806 -5.908 1.438 221 HD1 PHE 30 1HD PHE 30 13.124 -3.489 3.331 222 HD2 PHE 30 2HD PHE 30 10.615 -4.339 -0.089 223 HE1 PHE 30 1HE PHE 30 13.718 -1.438 2.364 224 HE2 PHE 30 2HE PHE 30 11.252 -2.280 -0.970 225 HZ PHE 30 HZ PHE 30 12.785 -0.791 0.253 226 H LEU 31 H LEU 31 8.730 -4.356 1.956 227 HA LEU 31 HA LEU 31 9.157 -1.744 2.139 228 HB2 LEU 31 1HB LEU 31 6.967 -3.543 1.664 229 HB3 LEU 31 2HB LEU 31 6.441 -1.872 1.627 230 HG LEU 31 HG LEU 31 8.334 -3.401 -0.008 231 HD11 LEU 31 1HD1 LEU 31 5.836 -2.929 -0.358 232 HD12 LEU 31 2HD1 LEU 31 7.127 -2.989 -1.586 233 HD13 LEU 31 3HD1 LEU 31 6.452 -1.401 -1.174 234 HD21 LEU 31 1HD2 LEU 31 8.833 -1.124 -1.070 235 HD22 LEU 31 2HD2 LEU 31 9.668 -1.803 0.297 236 HD23 LEU 31 3HD2 LEU 31 8.414 -0.525 0.573 237 H ALA 32 H ALA 32 7.488 -3.897 4.109 238 HA ALA 32 HA ALA 32 6.207 -1.969 5.814 239 HB1 ALA 32 1HB ALA 32 6.641 -4.835 6.171 240 HB2 ALA 32 2HB ALA 32 5.458 -4.060 5.074 241 HB3 ALA 32 3HB ALA 32 5.288 -3.797 6.795 242 H GLU 33 H GLU 33 9.147 -3.848 6.010 243 HA GLU 33 HA GLU 33 9.440 -3.404 8.739 244 HB2 GLU 33 1HB GLU 33 11.444 -4.643 8.553 245 HB3 GLU 33 2HB GLU 33 10.205 -4.933 7.252 246 HG2 GLU 33 1HG GLU 33 11.347 -4.150 5.665 247 HG3 GLU 33 2HG GLU 33 12.176 -2.951 6.583 248 H ARG 34 H ARG 34 9.979 -1.962 6.024 249 HA ARG 34 HA ARG 34 12.024 0.015 6.538 250 HB2 ARG 34 1HB ARG 34 11.911 -1.463 4.674 251 HB3 ARG 34 2HB ARG 34 10.382 -0.837 4.180 252 HG2 ARG 34 1HG ARG 34 12.074 0.007 2.900 253 HG3 ARG 34 2HG ARG 34 11.369 1.251 4.024 254 HD2 ARG 34 1HD ARG 34 13.249 1.266 5.352 255 HD3 ARG 34 2HD ARG 34 13.626 -0.355 4.663 256 HE ARG 34 HE ARG 34 14.285 0.542 2.753 257 HH11 ARG 34 1HH1 ARG 34 13.943 3.117 5.197 258 HH12 ARG 34 2HH1 ARG 34 14.765 4.290 4.258 259 HH21 ARG 34 1HH2 ARG 34 15.254 2.054 1.555 260 HH22 ARG 34 2HH2 ARG 34 15.563 3.676 2.000 261 H PHE 35 H PHE 35 8.554 -0.106 5.556 262 HA PHE 35 HA PHE 35 8.238 2.683 6.296 263 HB2 PHE 35 2HB PHE 35 7.475 0.747 4.463 264 HB3 PHE 35 1HB PHE 35 6.246 1.891 4.455 265 HD1 PHE 35 1HD PHE 35 8.464 0.483 2.724 266 HD2 PHE 35 2HD PHE 35 8.187 4.342 4.417 267 HE1 PHE 35 1HE PHE 35 10.020 1.221 1.154 268 HE2 PHE 35 2HE PHE 35 9.765 5.173 2.794 269 HZ PHE 35 HZ PHE 35 10.755 3.545 1.066 270 HA PRO 36 HA PRO 36 5.677 -0.252 9.400 271 HB2 PRO 36 2HB PRO 36 6.260 2.180 10.948 272 HB3 PRO 36 1HB PRO 36 6.463 0.462 11.418 273 HG2 PRO 36 2HG PRO 36 8.385 2.331 10.549 274 HG3 PRO 36 1HG PRO 36 8.613 0.631 10.983 275 HD2 PRO 36 2HD PRO 36 8.983 1.641 8.500 276 HD3 PRO 36 1HD PRO 36 8.623 -0.044 8.857 277 H HIS 37 H HIS 37 5.290 2.837 7.928 278 HA HIS 37 HA HIS 37 2.627 3.130 9.115 279 HB2 HIS 37 1HB HIS 37 2.779 5.448 7.764 280 HB3 HIS 37 2HB HIS 37 3.390 5.348 9.436 281 HD1 HIS 37 HD1 HIS 37 5.677 6.391 9.559 282 HD2 HIS 37 HD2 HIS 37 4.763 4.975 5.767 283 HE1 HIS 37 HE1 HIS 37 7.663 6.970 8.159 284 HE2 HIS 37 HE2 HIS 37 6.887 6.484 5.829 285 H CYS 38 H CYS 38 4.209 3.224 5.999 286 HA CYS 38 HA CYS 38 1.984 3.235 4.484 287 HB2 CYS 38 2HB CYS 38 4.492 3.553 3.678 288 HB3 CYS 38 1HB CYS 38 4.524 1.829 3.857 289 HG CYS 38 HG CYS 38 2.284 1.446 2.131 290 H PHE 39 H PHE 39 4.164 0.546 5.498 291 HA PHE 39 HA PHE 39 2.310 -1.372 4.444 292 HB2 PHE 39 2HB PHE 39 5.058 -0.723 4.736 293 HB3 PHE 39 1HB PHE 39 4.975 -2.315 4.377 294 HD1 PHE 39 1HD PHE 39 2.792 -2.094 2.209 295 HD2 PHE 39 2HD PHE 39 6.162 0.200 3.290 296 HE1 PHE 39 1HE PHE 39 3.011 -1.273 -0.084 297 HE2 PHE 39 2HE PHE 39 6.416 0.999 1.335 298 HZ PHE 39 HZ PHE 39 4.827 0.352 -0.620 299 H SER 40 H SER 40 2.426 -3.438 5.639 300 HA SER 40 HA SER 40 3.009 -3.309 8.631 301 HB2 SER 40 1HB SER 40 1.063 -4.800 7.050 302 HB3 SER 40 2HB SER 40 1.389 -4.943 8.789 303 HG SER 40 HG SER 40 0.956 -2.414 8.371 304 H ALA 41 H ALA 41 2.205 -6.178 7.200 305 HA ALA 41 HA ALA 41 3.602 -7.719 5.943 306 HB1 ALA 41 1HB ALA 41 5.933 -7.963 6.907 307 HB2 ALA 41 2HB ALA 41 5.341 -6.526 7.884 308 HB3 ALA 41 3HB ALA 41 5.446 -6.382 6.141 309 H GLU 42 H GLU 42 3.593 -6.547 9.005 310 HA GLU 42 HA GLU 42 3.196 -8.658 10.748 311 HB2 GLU 42 1HB GLU 42 2.473 -6.058 10.254 312 HB3 GLU 42 2HB GLU 42 1.915 -6.621 11.667 313 HG2 GLU 42 1HG GLU 42 4.686 -6.015 10.693 314 HG3 GLU 42 2HG GLU 42 3.999 -5.458 12.223 315 H GLY 43 H GLY 43 1.572 -6.658 8.935 316 HA2 GLY 43 1HA GLY 43 -0.968 -7.594 9.811 317 HA3 GLY 43 2HA GLY 43 -0.765 -5.954 9.221 318 H GLU 44 H GLU 44 -2.624 -7.894 8.312 319 HA GLU 44 HA GLU 44 -2.459 -9.300 6.119 320 HB2 GLU 44 1HB GLU 44 -4.370 -8.232 7.650 321 HB3 GLU 44 2HB GLU 44 -4.468 -7.201 6.220 322 HG2 GLU 44 1HG GLU 44 -4.991 -8.949 4.842 323 HG3 GLU 44 2HG GLU 44 -4.597 -10.153 6.066 324 H ALA 45 H ALA 45 -3.330 -5.901 5.917 325 HA ALA 45 HA ALA 45 -1.353 -5.234 4.079 326 HB1 ALA 45 1HB ALA 45 -4.170 -5.690 3.089 327 HB2 ALA 45 2HB ALA 45 -2.613 -6.235 2.386 328 HB3 ALA 45 3HB ALA 45 -3.056 -4.522 2.296 329 H ARG 46 H ARG 46 -2.336 -2.996 3.171 330 HA ARG 46 HA ARG 46 -3.571 -1.557 5.329 331 HB2 ARG 46 1HB ARG 46 -0.709 -1.501 4.549 332 HB3 ARG 46 2HB ARG 46 -1.486 0.062 4.696 333 HG2 ARG 46 1HG ARG 46 -1.690 -1.927 6.926 334 HG3 ARG 46 2HG ARG 46 -0.233 -0.951 6.725 335 HD2 ARG 46 1HD ARG 46 -3.039 0.144 6.975 336 HD3 ARG 46 2HD ARG 46 -1.847 0.095 8.278 337 HE ARG 46 HE ARG 46 -0.457 1.582 6.973 338 HH11 ARG 46 1HH1 ARG 46 -3.909 1.600 6.249 339 HH12 ARG 46 2HH1 ARG 46 -3.787 2.896 5.129 340 HH21 ARG 46 1HH2 ARG 46 -0.362 3.400 5.570 341 HH22 ARG 46 2HH2 ARG 46 -1.755 3.934 4.718 342 HA PRO 47 HA PRO 47 -5.113 0.397 1.552 343 HB2 PRO 47 2HB PRO 47 -5.368 2.622 3.558 344 HB3 PRO 47 1HB PRO 47 -6.605 2.102 2.378 345 HG2 PRO 47 2HG PRO 47 -6.833 1.466 4.928 346 HG3 PRO 47 1HG PRO 47 -7.264 0.310 3.652 347 HD2 PRO 47 2HD PRO 47 -4.941 0.278 5.486 348 HD3 PRO 47 1HD PRO 47 -5.781 -1.066 4.692 349 H LEU 48 H LEU 48 -3.713 1.283 0.206 350 HA LEU 48 HA LEU 48 -1.487 2.953 1.066 351 HB2 LEU 48 1HB LEU 48 -0.308 1.009 1.206 352 HB3 LEU 48 2HB LEU 48 -1.412 0.047 0.277 353 HG LEU 48 HG LEU 48 -0.491 1.439 -1.592 354 HD11 LEU 48 1HD1 LEU 48 1.636 0.931 0.308 355 HD12 LEU 48 2HD1 LEU 48 1.096 2.635 0.099 356 HD13 LEU 48 3HD1 LEU 48 1.941 1.707 -1.210 357 HD21 LEU 48 1HD2 LEU 48 1.083 -0.182 -2.091 358 HD22 LEU 48 2HD2 LEU 48 -0.365 -0.950 -1.389 359 HD23 LEU 48 3HD2 LEU 48 1.101 -0.681 -0.418 360 H LYS 49 H LYS 49 -0.349 3.553 -1.356 361 HA LYS 49 HA LYS 49 -2.603 3.820 -3.124 362 HB2 LYS 49 1HB LYS 49 -0.542 5.606 -2.426 363 HB3 LYS 49 2HB LYS 49 -0.304 5.202 -4.073 364 HG2 LYS 49 1HG LYS 49 -2.953 6.240 -3.041 365 HG3 LYS 49 2HG LYS 49 -1.803 7.088 -4.072 366 HD2 LYS 49 1HD LYS 49 -2.152 5.389 -5.833 367 HD3 LYS 49 2HD LYS 49 -3.356 4.595 -4.826 368 HE2 LYS 49 1HE LYS 49 -3.512 7.412 -5.914 369 HE3 LYS 49 2HE LYS 49 -4.382 6.019 -6.540 370 HZ1 LYS 49 1HZ LYS 49 -5.751 7.417 -5.150 371 HZ2 LYS 49 2HZ LYS 49 -4.701 7.365 -3.939 372 HZ3 LYS 49 3HZ LYS 49 -5.596 5.945 -4.308 373 H ILE 50 H ILE 50 -1.305 3.837 -5.433 374 HA ILE 50 HA ILE 50 0.778 1.789 -5.388 375 HB ILE 50 HB ILE 50 -1.464 2.110 -7.224 376 HG12 ILE 50 1HG1 ILE 50 0.255 -0.113 -6.142 377 HG13 ILE 50 2HG1 ILE 50 -1.265 0.479 -5.477 378 HG21 ILE 50 1HG2 ILE 50 0.508 2.656 -8.555 379 HG22 ILE 50 2HG2 ILE 50 -0.118 1.020 -9.048 380 HG23 ILE 50 3HG2 ILE 50 1.260 1.222 -7.890 381 HD11 ILE 50 1HD1 ILE 50 -2.426 -0.273 -7.255 382 HD12 ILE 50 2HD1 ILE 50 -1.287 -1.628 -6.750 383 HD13 ILE 50 3HD1 ILE 50 -0.948 -0.627 -8.178 384 H GLY 51 H GLY 51 0.116 4.834 -6.371 385 HA2 GLY 51 1HA GLY 51 2.456 5.100 -8.003 386 HA3 GLY 51 2HA GLY 51 1.520 6.434 -7.355 387 H ILE 52 H ILE 52 1.987 5.230 -4.445 388 HA ILE 52 HA ILE 52 4.187 6.127 -3.406 389 HB ILE 52 HB ILE 52 2.659 4.932 -2.010 390 HG12 ILE 52 1HG1 ILE 52 5.184 3.640 -2.650 391 HG13 ILE 52 2HG1 ILE 52 4.900 4.795 -1.476 392 HG21 ILE 52 1HG2 ILE 52 1.674 2.911 -2.624 393 HG22 ILE 52 2HG2 ILE 52 3.293 2.358 -3.025 394 HG23 ILE 52 3HG2 ILE 52 2.391 3.159 -4.275 395 HD11 ILE 52 1HD1 ILE 52 3.530 2.201 -1.605 396 HD12 ILE 52 2HD1 ILE 52 3.861 3.134 -0.098 397 HD13 ILE 52 3HD1 ILE 52 5.144 2.332 -1.115 398 H PHE 53 H PHE 53 3.871 3.250 -5.450 399 HA PHE 53 HA PHE 53 5.927 1.772 -4.675 400 HB2 PHE 53 2HB PHE 53 4.543 1.037 -6.127 401 HB3 PHE 53 1HB PHE 53 4.566 2.371 -7.219 402 HD1 PHE 53 1HD PHE 53 6.253 2.363 -9.071 403 HD2 PHE 53 2HD PHE 53 6.383 -0.061 -5.769 404 HE1 PHE 53 1HE PHE 53 8.203 0.959 -10.131 405 HE2 PHE 53 2HE PHE 53 7.923 -1.447 -6.747 406 HZ PHE 53 HZ PHE 53 8.918 -1.014 -8.844 407 H GLN 54 H GLN 54 5.827 4.266 -6.911 408 HA GLN 54 HA GLN 54 8.401 4.641 -7.927 409 HB2 GLN 54 1HB GLN 54 6.282 5.513 -8.644 410 HB3 GLN 54 2HB GLN 54 6.130 5.848 -7.062 411 HG2 GLN 54 1HG GLN 54 8.095 7.299 -7.566 412 HG3 GLN 54 2HG GLN 54 6.882 8.106 -8.762 413 HE21 GLN 54 1HE2 GLN 54 7.246 7.520 -5.081 414 HE22 GLN 54 2HE2 GLN 54 5.807 6.743 -5.577 415 H ASP 55 H ASP 55 7.304 5.160 -5.055 416 HA ASP 55 HA ASP 55 9.153 7.186 -4.378 417 HB2 ASP 55 1HB ASP 55 6.478 6.775 -3.346 418 HB3 ASP 55 2HB ASP 55 7.433 6.124 -2.418 419 H LEU 56 H LEU 56 7.944 4.330 -3.417 420 HA LEU 56 HA LEU 56 9.529 3.262 -1.453 421 HB2 LEU 56 1HB LEU 56 8.125 2.534 -3.936 422 HB3 LEU 56 2HB LEU 56 8.160 2.975 -2.321 423 HG LEU 56 HG LEU 56 8.594 0.363 -2.485 424 HD11 LEU 56 1HD1 LEU 56 8.608 2.097 -0.471 425 HD12 LEU 56 2HD1 LEU 56 7.381 0.782 -0.518 426 HD13 LEU 56 3HD1 LEU 56 6.996 2.375 -1.221 427 HD21 LEU 56 1HD2 LEU 56 6.227 0.694 -2.121 428 HD22 LEU 56 2HD2 LEU 56 6.922 0.618 -3.776 429 HD23 LEU 56 3HD2 LEU 56 6.589 2.226 -2.909 430 H VAL 57 H VAL 57 9.594 3.238 -4.733 431 HA VAL 57 HA VAL 57 11.850 1.914 -4.905 432 HB VAL 57 HB VAL 57 12.005 2.295 -7.314 433 HG11 VAL 57 1HG1 VAL 57 10.377 0.872 -7.317 434 HG12 VAL 57 2HG1 VAL 57 9.273 2.336 -6.849 435 HG13 VAL 57 3HG1 VAL 57 10.049 1.449 -5.611 436 HG21 VAL 57 1HG2 VAL 57 10.390 3.702 -8.295 437 HG22 VAL 57 2HG2 VAL 57 11.609 4.584 -7.243 438 HG23 VAL 57 3HG2 VAL 57 9.973 4.428 -6.698 439 H ASP 58 H ASP 58 11.479 5.331 -4.791 440 HA ASP 58 HA ASP 58 13.767 6.471 -5.369 441 HB2 ASP 58 1HB ASP 58 11.850 7.178 -3.620 442 HB3 ASP 58 2HB ASP 58 12.861 6.346 -2.692 443 H ARG 59 H ARG 59 12.904 4.587 -2.718 444 HA ARG 59 HA ARG 59 15.217 4.654 -1.144 445 HB2 ARG 59 1HB ARG 59 12.522 4.384 -1.087 446 HB3 ARG 59 2HB ARG 59 13.232 3.458 0.298 447 HG2 ARG 59 1HG ARG 59 13.365 5.527 1.361 448 HG3 ARG 59 2HG ARG 59 13.949 6.319 -0.112 449 HD2 ARG 59 1HD ARG 59 11.765 6.415 -1.020 450 HD3 ARG 59 2HD ARG 59 11.041 5.481 0.254 451 HE ARG 59 HE ARG 59 11.813 7.477 1.669 452 HH11 ARG 59 1HH1 ARG 59 11.118 7.851 -1.738 453 HH12 ARG 59 2HH1 ARG 59 9.967 9.076 -1.591 454 HH21 ARG 59 1HH2 ARG 59 10.302 9.442 1.924 455 HH22 ARG 59 2HH2 ARG 59 9.579 10.011 0.478 456 H VAL 60 H VAL 60 12.611 2.305 -2.054 457 HA VAL 60 HA VAL 60 13.715 0.245 -0.704 458 HB VAL 60 HB VAL 60 11.887 -0.877 -1.840 459 HG11 VAL 60 1HG1 VAL 60 10.339 1.000 -1.808 460 HG12 VAL 60 2HG1 VAL 60 11.573 1.873 -0.805 461 HG13 VAL 60 3HG1 VAL 60 10.826 0.274 -0.243 462 HG21 VAL 60 1HG2 VAL 60 12.308 1.237 -3.417 463 HG22 VAL 60 2HG2 VAL 60 10.615 0.926 -3.147 464 HG23 VAL 60 3HG2 VAL 60 11.689 -0.348 -3.883 465 H ALA 61 H ALA 61 13.918 1.021 -3.870 466 HA ALA 61 HA ALA 61 13.426 -1.345 -5.084 467 HB1 ALA 61 1HB ALA 61 12.935 0.560 -5.706 468 HB2 ALA 61 2HB ALA 61 13.858 -0.503 -6.898 469 HB3 ALA 61 3HB ALA 61 14.685 0.908 -6.053 470 H GLY 62 H GLY 62 16.347 -0.661 -4.174 471 HA2 GLY 62 1HA GLY 62 16.657 -3.258 -4.892 472 HA3 GLY 62 2HA GLY 62 17.751 -2.288 -5.790 473 H GLU 63 H GLU 63 16.646 -1.778 -2.770 474 HA GLU 63 HA GLU 63 18.968 -1.202 -1.338 475 HB2 GLU 63 1HB GLU 63 16.316 -2.149 -0.660 476 HB3 GLU 63 2HB GLU 63 17.496 -2.125 0.614 477 HG2 GLU 63 1HG GLU 63 17.848 0.329 -0.287 478 HG3 GLU 63 2HG GLU 63 16.256 0.026 -1.009 479 H MET 64 H MET 64 17.206 -4.092 -1.744 480 HA MET 64 HA MET 64 19.358 -5.651 -0.613 481 HB2 MET 64 1HB MET 64 16.578 -6.386 -0.151 482 HB3 MET 64 2HB MET 64 18.017 -7.006 0.511 483 HG2 MET 64 1HG MET 64 18.263 -5.590 1.960 484 HG3 MET 64 2HG MET 64 17.561 -4.187 1.115 485 HE1 MET 64 1HE MET 64 15.063 -4.266 0.398 486 HE2 MET 64 2HE MET 64 13.783 -5.119 1.226 487 HE3 MET 64 3HE MET 64 14.868 -6.003 0.137 488 H ASN 65 H ASN 65 16.330 -6.081 -1.718 489 HA ASN 65 HA ASN 65 17.202 -7.913 -3.662 490 HB2 ASN 65 1HB ASN 65 14.918 -7.996 -1.908 491 HB3 ASN 65 2HB ASN 65 15.486 -9.352 -2.859 492 HD21 ASN 65 1HD2 ASN 65 17.641 -9.813 -0.227 493 HD22 ASN 65 2HD2 ASN 65 17.717 -9.878 -1.903 494 H LEU 66 H LEU 66 16.267 -5.226 -4.535 495 HA LEU 66 HA LEU 66 13.682 -5.925 -5.865 496 HB2 LEU 66 1HB LEU 66 14.645 -3.947 -4.110 497 HB3 LEU 66 2HB LEU 66 13.563 -3.259 -5.316 498 HG LEU 66 HG LEU 66 13.420 -4.703 -2.745 499 HD11 LEU 66 1HD1 LEU 66 12.893 -2.493 -2.713 500 HD12 LEU 66 2HD1 LEU 66 11.332 -3.325 -2.575 501 HD13 LEU 66 3HD1 LEU 66 11.900 -2.594 -4.133 502 HD21 LEU 66 1HD2 LEU 66 11.287 -5.752 -3.158 503 HD22 LEU 66 2HD2 LEU 66 12.739 -6.125 -4.166 504 HD23 LEU 66 3HD2 LEU 66 11.426 -5.196 -4.899 505 H SER 67 H SER 67 13.291 -5.123 -7.522 506 HA SER 67 HA SER 67 15.339 -3.688 -9.027 507 HB2 SER 67 1HB SER 67 15.347 -6.093 -9.250 508 HB3 SER 67 2HB SER 67 13.673 -6.076 -9.709 509 HG SER 67 HG SER 67 15.286 -6.130 -11.514 510 H LYS 68 H LYS 68 12.996 -2.632 -7.668 511 HA LYS 68 HA LYS 68 11.057 -1.447 -7.802 512 HB2 LYS 68 1HB LYS 68 11.179 -1.106 -10.709 513 HB3 LYS 68 2HB LYS 68 10.312 -0.283 -9.658 514 HG2 LYS 68 1HG LYS 68 12.317 1.037 -10.530 515 HG3 LYS 68 2HG LYS 68 11.791 1.194 -8.859 516 HD2 LYS 68 1HD LYS 68 14.028 0.709 -8.378 517 HD3 LYS 68 2HD LYS 68 13.052 -0.699 -8.645 518 HE2 LYS 68 1HE LYS 68 13.973 -1.319 -10.677 519 HE3 LYS 68 2HE LYS 68 14.612 0.294 -11.000 520 HZ1 LYS 68 1HZ LYS 68 16.304 -0.040 -9.340 521 HZ2 LYS 68 2HZ LYS 68 16.356 -1.351 -10.409 522 HZ3 LYS 68 3HZ LYS 68 15.664 -1.527 -8.882 523 H THR 69 H THR 69 11.058 -3.713 -10.630 524 HA THR 69 HA THR 69 8.285 -3.405 -10.717 525 HB THR 69 HB THR 69 8.374 -4.809 -12.309 526 HG1 THR 69 1HG THR 69 10.585 -5.863 -12.913 527 HG21 THR 69 1HG2 THR 69 10.730 -3.079 -12.331 528 HG22 THR 69 2HG2 THR 69 9.097 -2.625 -12.875 529 HG23 THR 69 3HG2 THR 69 10.116 -3.722 -13.860 530 H GLN 70 H GLN 70 10.526 -5.535 -9.380 531 HA GLN 70 HA GLN 70 8.621 -7.616 -8.790 532 HB2 GLN 70 1HB GLN 70 10.442 -8.504 -7.353 533 HB3 GLN 70 2HB GLN 70 11.061 -8.135 -8.944 534 HG2 GLN 70 1HG GLN 70 12.009 -6.194 -8.258 535 HG3 GLN 70 2HG GLN 70 11.049 -6.412 -6.772 536 HE21 GLN 70 1HE2 GLN 70 13.011 -8.352 -5.222 537 HE22 GLN 70 2HE2 GLN 70 11.422 -7.707 -5.380 538 H LEU 71 H LEU 71 9.320 -4.601 -7.601 539 HA LEU 71 HA LEU 71 8.150 -4.948 -4.963 540 HB2 LEU 71 1HB LEU 71 10.291 -3.640 -5.592 541 HB3 LEU 71 2HB LEU 71 9.349 -2.552 -6.408 542 HG LEU 71 HG LEU 71 10.111 -2.648 -3.799 543 HD11 LEU 71 1HD1 LEU 71 10.211 -0.793 -5.310 544 HD12 LEU 71 2HD1 LEU 71 9.600 -0.443 -3.744 545 HD13 LEU 71 3HD1 LEU 71 8.453 -0.611 -5.132 546 HD21 LEU 71 1HD2 LEU 71 8.241 -3.607 -3.048 547 HD22 LEU 71 2HD2 LEU 71 7.265 -2.744 -4.224 548 HD23 LEU 71 3HD2 LEU 71 7.979 -1.853 -2.857 549 H ARG 72 H ARG 72 7.551 -3.459 -8.143 550 HA ARG 72 HA ARG 72 5.349 -2.019 -7.202 551 HB2 ARG 72 1HB ARG 72 4.821 -1.520 -9.623 552 HB3 ARG 72 2HB ARG 72 6.559 -1.524 -9.302 553 HG2 ARG 72 1HG ARG 72 6.521 -2.590 -11.208 554 HG3 ARG 72 2HG ARG 72 6.520 -3.782 -9.838 555 HD2 ARG 72 1HD ARG 72 4.867 -4.599 -11.526 556 HD3 ARG 72 2HD ARG 72 4.143 -3.875 -10.056 557 HE ARG 72 HE ARG 72 4.313 -2.466 -12.626 558 HH11 ARG 72 1HH1 ARG 72 2.538 -3.032 -9.568 559 HH12 ARG 72 2HH1 ARG 72 1.176 -2.151 -10.023 560 HH21 ARG 72 1HH2 ARG 72 2.385 -1.216 -13.236 561 HH22 ARG 72 2HH2 ARG 72 1.084 -1.085 -12.157 562 H SER 73 H SER 73 5.817 -5.167 -7.850 563 HA SER 73 HA SER 73 3.092 -5.912 -8.210 564 HB2 SER 73 1HB SER 73 4.499 -6.415 -9.653 565 HB3 SER 73 2HB SER 73 5.762 -6.888 -8.638 566 HG SER 73 HG SER 73 4.714 -8.872 -8.183 567 H ALA 74 H ALA 74 5.228 -5.467 -6.090 568 HA ALA 74 HA ALA 74 4.106 -7.290 -4.004 569 HB1 ALA 74 1HB ALA 74 5.752 -4.787 -3.686 570 HB2 ALA 74 2HB ALA 74 6.422 -6.407 -3.821 571 HB3 ALA 74 3HB ALA 74 5.432 -5.990 -2.432 572 H LEU 75 H LEU 75 4.003 -4.410 -5.307 573 HA LEU 75 HA LEU 75 2.061 -3.181 -3.681 574 HB2 LEU 75 1HB LEU 75 4.239 -3.037 -4.757 575 HB3 LEU 75 2HB LEU 75 3.724 -2.026 -5.905 576 HG LEU 75 HG LEU 75 3.819 -1.947 -2.857 577 HD11 LEU 75 1HD1 LEU 75 5.707 -0.886 -3.159 578 HD12 LEU 75 2HD1 LEU 75 5.066 -0.111 -4.572 579 HD13 LEU 75 3HD1 LEU 75 5.752 -1.756 -4.727 580 HD21 LEU 75 1HD2 LEU 75 3.682 0.548 -4.318 581 HD22 LEU 75 2HD2 LEU 75 3.133 0.072 -2.661 582 HD23 LEU 75 3HD2 LEU 75 2.110 -0.304 -4.051 583 H ARG 76 H ARG 76 2.151 -5.320 -6.063 584 HA ARG 76 HA ARG 76 -0.485 -4.597 -7.052 585 HB2 ARG 76 1HB ARG 76 -0.061 -6.239 -8.308 586 HB3 ARG 76 2HB ARG 76 0.386 -4.864 -9.378 587 HG2 ARG 76 1HG ARG 76 1.036 -6.867 -10.230 588 HG3 ARG 76 2HG ARG 76 2.402 -7.025 -9.229 589 HD2 ARG 76 1HD ARG 76 0.575 -7.639 -7.584 590 HD3 ARG 76 2HD ARG 76 -0.297 -8.169 -9.040 591 HE ARG 76 HE ARG 76 2.388 -9.113 -9.013 592 HH11 ARG 76 1HH1 ARG 76 -0.801 -9.770 -7.601 593 HH12 ARG 76 2HH1 ARG 76 -0.550 -11.418 -7.314 594 HH21 ARG 76 1HH2 ARG 76 2.800 -11.405 -8.615 595 HH22 ARG 76 2HH2 ARG 76 1.605 -12.401 -7.919 596 H LEU 77 H LEU 77 1.353 -6.668 -5.381 597 HA LEU 77 HA LEU 77 -0.310 -8.959 -5.397 598 HB2 LEU 77 1HB LEU 77 2.279 -8.701 -4.715 599 HB3 LEU 77 2HB LEU 77 1.693 -8.126 -3.390 600 HG LEU 77 HG LEU 77 0.269 -10.421 -3.475 601 HD11 LEU 77 1HD1 LEU 77 2.276 -11.005 -5.017 602 HD12 LEU 77 2HD1 LEU 77 2.289 -11.880 -3.435 603 HD13 LEU 77 3HD1 LEU 77 3.183 -10.340 -3.641 604 HD21 LEU 77 1HD2 LEU 77 2.563 -9.271 -2.277 605 HD22 LEU 77 2HD2 LEU 77 1.748 -10.667 -1.476 606 HD23 LEU 77 3HD2 LEU 77 0.938 -9.056 -1.620 607 H TYR 78 H TYR 78 0.712 -6.870 -2.773 608 HA TYR 78 HA TYR 78 -1.406 -7.986 -1.372 609 HB2 TYR 78 2HB TYR 78 -0.521 -7.306 0.661 610 HB3 TYR 78 1HB TYR 78 0.928 -7.244 -0.261 611 HD1 TYR 78 1HD TYR 78 0.620 -4.722 -1.636 612 HD2 TYR 78 2HD TYR 78 -0.216 -5.935 2.294 613 HE1 TYR 78 1HE TYR 78 0.863 -2.450 -0.944 614 HE2 TYR 78 2HE TYR 78 0.055 -3.752 3.087 615 HH TYR 78 HH TYR 78 0.474 -1.808 2.631 616 H THR 79 H THR 79 -0.908 -5.501 -3.313 617 HA THR 79 HA THR 79 -3.068 -3.740 -2.424 618 HB THR 79 HB THR 79 -2.479 -2.297 -4.186 619 HG1 THR 79 1HG THR 79 -0.914 -3.081 -5.745 620 HG21 THR 79 1HG2 THR 79 -0.109 -3.738 -3.235 621 HG22 THR 79 2HG2 THR 79 -1.052 -2.574 -2.321 622 HG23 THR 79 3HG2 THR 79 -0.134 -2.033 -3.767 623 H SER 80 H SER 80 -2.781 -6.505 -4.484 624 HA SER 80 HA SER 80 -5.314 -5.938 -5.703 625 HB2 SER 80 1HB SER 80 -5.203 -8.323 -6.389 626 HB3 SER 80 2HB SER 80 -3.978 -7.290 -7.169 627 HG SER 80 HG SER 80 -3.150 -8.515 -4.831 628 H SER 81 H SER 81 -4.344 -6.689 -2.757 629 HA SER 81 HA SER 81 -6.371 -8.575 -2.137 630 HB2 SER 81 1HB SER 81 -4.505 -8.727 -0.955 631 HB3 SER 81 2HB SER 81 -4.463 -6.965 -0.474 632 HG SER 81 HG SER 81 -6.256 -9.072 0.143 633 H TRP 82 H TRP 82 -7.795 -8.054 -0.750 634 HA TRP 82 HA TRP 82 -9.382 -5.595 -1.482 635 HB2 TRP 82 2HB TRP 82 -10.271 -8.174 -0.971 636 HB3 TRP 82 1HB TRP 82 -10.388 -7.372 0.580 637 HD1 TRP 82 1HD TRP 82 -10.928 -5.493 -2.523 638 HE1 TRP 82 1HE TRP 82 -13.342 -5.063 -2.789 639 HE3 TRP 82 3HE TRP 82 -12.484 -8.285 1.236 640 HZ2 TRP 82 2HZ TRP 82 -15.643 -5.751 -1.485 641 HZ3 TRP 82 3HZ TRP 82 -14.845 -8.303 1.671 642 HH2 TRP 82 2HH TRP 82 -16.397 -7.082 0.236 643 H ARG 83 H ARG 83 -8.288 -7.020 1.318 644 HA ARG 83 HA ARG 83 -9.067 -4.887 2.880 645 HB2 ARG 83 1HB ARG 83 -7.741 -5.727 4.577 646 HB3 ARG 83 2HB ARG 83 -8.762 -6.855 3.735 647 HG2 ARG 83 1HG ARG 83 -6.247 -7.050 2.465 648 HG3 ARG 83 2HG ARG 83 -6.014 -7.315 4.204 649 HD2 ARG 83 1HD ARG 83 -7.690 -9.042 4.243 650 HD3 ARG 83 2HD ARG 83 -8.203 -8.566 2.622 651 HE ARG 83 HE ARG 83 -6.009 -9.376 1.887 652 HH11 ARG 83 1HH1 ARG 83 -7.088 -10.814 4.972 653 HH12 ARG 83 2HH1 ARG 83 -6.945 -12.405 4.461 654 HH21 ARG 83 1HH2 ARG 83 -5.826 -11.626 1.186 655 HH22 ARG 83 2HH2 ARG 83 -6.119 -12.924 2.269 656 H TYR 84 H TYR 84 -6.605 -5.103 0.833 657 HA TYR 84 HA TYR 84 -5.066 -2.880 1.631 658 HB2 TYR 84 2HB TYR 84 -4.401 -4.361 -0.203 659 HB3 TYR 84 1HB TYR 84 -5.900 -4.053 -0.950 660 HD1 TYR 84 1HD TYR 84 -2.696 -2.077 -0.138 661 HD2 TYR 84 2HD TYR 84 -6.275 -2.574 -2.405 662 HE1 TYR 84 1HE TYR 84 -2.040 -0.323 -1.583 663 HE2 TYR 84 2HE TYR 84 -5.567 -0.766 -3.900 664 HH TYR 84 HH TYR 84 -2.334 0.475 -3.755 665 H LEU 85 H LEU 85 -7.724 -3.144 -0.659 666 HA LEU 85 HA LEU 85 -7.990 -0.341 -0.703 667 HB2 LEU 85 1HB LEU 85 -9.890 -0.594 -2.113 668 HB3 LEU 85 2HB LEU 85 -8.187 -0.872 -2.723 669 HG LEU 85 HG LEU 85 -10.054 -2.189 -3.848 670 HD11 LEU 85 1HD1 LEU 85 -7.909 -3.252 -3.518 671 HD12 LEU 85 2HD1 LEU 85 -9.312 -4.381 -3.402 672 HD13 LEU 85 3HD1 LEU 85 -8.533 -3.744 -1.934 673 HD21 LEU 85 1HD2 LEU 85 -11.469 -3.635 -2.537 674 HD22 LEU 85 2HD2 LEU 85 -11.540 -2.034 -1.858 675 HD23 LEU 85 3HD2 LEU 85 -10.538 -3.232 -1.113 676 H TYR 86 H TYR 86 -9.166 -2.027 1.390 677 HA TYR 86 HA TYR 86 -11.737 -1.615 1.800 678 HB2 TYR 86 2HB TYR 86 -9.425 -1.948 3.033 679 HB3 TYR 86 1HB TYR 86 -10.455 -1.248 4.245 680 HD1 TYR 86 1HD TYR 86 -10.741 -3.589 1.420 681 HD2 TYR 86 2HD TYR 86 -11.014 -3.220 5.638 682 HE1 TYR 86 1HE TYR 86 -11.448 -5.665 1.477 683 HE2 TYR 86 2HE TYR 86 -11.800 -5.505 5.790 684 HH TYR 86 HH TYR 86 -11.595 -7.682 3.210 685 H GLY 87 H GLY 87 -9.184 0.507 1.687 686 HA2 GLY 87 1HA GLY 87 -10.662 2.825 1.469 687 HA3 GLY 87 2HA GLY 87 -9.781 2.968 2.969 688 H VAL 88 H VAL 88 -9.627 2.394 -0.491 689 HA VAL 88 HA VAL 88 -7.064 3.694 -0.312 690 HB VAL 88 HB VAL 88 -7.629 1.298 -2.043 691 HG11 VAL 88 1HG1 VAL 88 -6.234 2.811 -3.397 692 HG12 VAL 88 2HG1 VAL 88 -5.280 1.428 -2.844 693 HG13 VAL 88 3HG1 VAL 88 -5.110 2.998 -2.052 694 HG21 VAL 88 1HG2 VAL 88 -5.566 1.852 -0.008 695 HG22 VAL 88 2HG2 VAL 88 -6.012 0.253 -0.720 696 HG23 VAL 88 3HG2 VAL 88 -7.162 1.204 0.273 697 H LYS 89 H LYS 89 -9.882 4.209 -1.574 698 HA LYS 89 HA LYS 89 -9.443 4.212 -4.396 699 HB2 LYS 89 1HB LYS 89 -11.732 3.985 -3.745 700 HB3 LYS 89 2HB LYS 89 -11.836 5.559 -3.019 701 HG2 LYS 89 1HG LYS 89 -11.413 6.531 -5.289 702 HG3 LYS 89 2HG LYS 89 -11.473 4.893 -5.935 703 HD2 LYS 89 1HD LYS 89 -13.767 4.664 -5.034 704 HD3 LYS 89 2HD LYS 89 -13.692 6.342 -4.491 705 HE2 LYS 89 1HE LYS 89 -13.480 5.373 -7.344 706 HE3 LYS 89 2HE LYS 89 -14.867 6.185 -6.617 707 HZ1 LYS 89 1HZ LYS 89 -13.522 7.710 -7.922 708 HZ2 LYS 89 2HZ LYS 89 -12.164 7.363 -6.977 709 HZ3 LYS 89 3HZ LYS 89 -13.493 8.150 -6.286 710 HA PRO 90 HA PRO 90 -7.635 8.368 -4.209 711 HB2 PRO 90 2HB PRO 90 -8.492 10.276 -2.586 712 HB3 PRO 90 1HB PRO 90 -9.300 9.927 -4.107 713 HG2 PRO 90 2HG PRO 90 -10.523 9.538 -1.555 714 HG3 PRO 90 1HG PRO 90 -11.152 9.095 -3.148 715 HD2 PRO 90 2HD PRO 90 -9.672 7.353 -1.212 716 HD3 PRO 90 1HD PRO 90 -10.966 6.992 -2.365 717 H GLY 91 H GLY 91 -7.546 9.908 -1.306 718 HA2 GLY 91 1HA GLY 91 -5.302 8.693 -1.196 719 HA3 GLY 91 2HA GLY 91 -5.202 10.258 -0.463 720 H ALA 92 H ALA 92 -6.922 7.778 -0.385 721 HA ALA 92 HA ALA 92 -7.427 6.985 2.331 722 HB1 ALA 92 1HB ALA 92 -8.954 6.489 0.685 723 HB2 ALA 92 2HB ALA 92 -8.264 4.885 1.140 724 HB3 ALA 92 3HB ALA 92 -7.736 5.722 -0.293 725 H THR 93 H THR 93 -5.220 6.146 0.065 726 HA THR 93 HA THR 93 -3.626 4.138 0.879 727 HB THR 93 HB THR 93 -2.692 5.293 -0.853 728 HG1 THR 93 1HG THR 93 -0.790 5.932 -0.256 729 HG21 THR 93 1HG2 THR 93 -4.081 7.094 -0.955 730 HG22 THR 93 2HG2 THR 93 -2.424 7.780 -0.840 731 HG23 THR 93 3HG2 THR 93 -3.482 7.805 0.526 732 H ARG 94 H ARG 94 -3.926 7.336 2.107 733 HA ARG 94 HA ARG 94 -3.309 8.485 3.790 734 HB2 ARG 94 1HB ARG 94 -2.518 5.930 5.073 735 HB3 ARG 94 2HB ARG 94 -2.664 7.570 5.761 736 HG2 ARG 94 1HG ARG 94 -4.852 5.652 4.808 737 HG3 ARG 94 2HG ARG 94 -4.612 6.199 6.459 738 HD2 ARG 94 1HD ARG 94 -5.832 7.670 4.116 739 HD3 ARG 94 2HD ARG 94 -6.465 7.330 5.689 740 HE ARG 94 HE ARG 94 -4.360 9.346 5.289 741 HH11 ARG 94 1HH1 ARG 94 -6.969 8.015 7.374 742 HH12 ARG 94 2HH1 ARG 94 -7.001 9.398 8.374 743 HH21 ARG 94 1HH2 ARG 94 -4.424 11.207 6.818 744 HH22 ARG 94 2HH2 ARG 94 -5.585 11.189 8.051 745 H VAL 95 H VAL 95 -1.151 6.613 2.101 746 HA VAL 95 HA VAL 95 1.045 8.246 2.904 747 HB VAL 95 HB VAL 95 2.307 6.812 4.038 748 HG11 VAL 95 1HG1 VAL 95 0.283 6.435 5.037 749 HG12 VAL 95 2HG1 VAL 95 1.184 4.853 4.938 750 HG13 VAL 95 3HG1 VAL 95 -0.143 5.328 3.708 751 HG21 VAL 95 1HG2 VAL 95 2.846 5.818 2.084 752 HG22 VAL 95 2HG2 VAL 95 1.436 4.761 2.135 753 HG23 VAL 95 3HG2 VAL 95 2.759 4.608 3.369 754 H ASP 96 H ASP 96 2.052 8.720 1.459 755 HA ASP 96 HA ASP 96 3.394 6.803 -0.459 756 HB2 ASP 96 1HB ASP 96 2.838 9.743 -0.944 757 HB3 ASP 96 2HB ASP 96 4.318 9.033 -1.586 758 H LEU 97 H LEU 97 4.096 6.026 1.111 759 HA LEU 97 HA LEU 97 5.121 5.510 2.866 760 HB2 LEU 97 1HB LEU 97 7.686 5.842 1.460 761 HB3 LEU 97 2HB LEU 97 6.926 4.789 2.472 762 HG LEU 97 HG LEU 97 5.259 4.986 0.411 763 HD11 LEU 97 1HD1 LEU 97 8.180 4.351 -0.162 764 HD12 LEU 97 2HD1 LEU 97 7.397 5.852 -0.635 765 HD13 LEU 97 3HD1 LEU 97 6.845 4.312 -1.336 766 HD21 LEU 97 1HD2 LEU 97 5.936 2.808 0.305 767 HD22 LEU 97 2HD2 LEU 97 5.650 3.336 2.015 768 HD23 LEU 97 3HD2 LEU 97 7.348 3.452 1.222 769 H ASP 98 H ASP 98 4.949 8.622 2.806 770 HA ASP 98 HA ASP 98 6.698 9.156 5.009 771 HB2 ASP 98 1HB ASP 98 6.203 11.008 3.229 772 HB3 ASP 98 2HB ASP 98 4.540 10.767 3.687 773 H GLY 99 H GLY 99 3.498 9.322 3.902 774 HA2 GLY 99 1HA GLY 99 1.823 8.161 5.253 775 HA3 GLY 99 2HA GLY 99 2.351 9.085 6.555 776 H ASN 100 H ASN 100 2.414 10.478 3.226 777 HA ASN 100 HA ASN 100 0.378 12.422 3.551 778 HB2 ASN 100 1HB ASN 100 2.240 11.504 1.267 779 HB3 ASN 100 2HB ASN 100 1.070 12.773 1.390 780 HD21 ASN 100 1HD2 ASN 100 3.749 13.928 3.294 781 HD22 ASN 100 2HD2 ASN 100 3.026 12.509 3.993 782 HA PRO 101 HA PRO 101 -2.378 9.184 1.969 783 HB2 PRO 101 2HB PRO 101 -4.035 11.435 0.936 784 HB3 PRO 101 1HB PRO 101 -4.328 10.239 2.136 785 HG2 PRO 101 2HG PRO 101 -3.814 12.751 2.947 786 HG3 PRO 101 1HG PRO 101 -2.936 11.423 3.794 787 HD2 PRO 101 2HD PRO 101 -2.259 12.670 1.337 788 HD3 PRO 101 1HD PRO 101 -1.232 13.118 2.591 789 H CYS 102 H CYS 102 -0.513 9.092 0.441 790 HA CYS 102 HA CYS 102 0.728 9.567 -1.320 791 HB2 CYS 102 2HB CYS 102 -0.170 7.945 -2.356 792 HB3 CYS 102 1HB CYS 102 -1.795 8.285 -2.507 793 HG CYS 102 HG CYS 102 0.943 9.119 -4.267 794 H GLY 103 H GLY 103 -0.979 11.488 -0.150 795 HA2 GLY 103 1HA GLY 103 -0.809 13.860 0.209 796 HA3 GLY 103 2HA GLY 103 0.139 13.891 -1.261 797 H GLU 104 H GLU 104 -2.343 12.217 -1.625 798 HA GLU 104 HA GLU 104 -3.620 13.875 -3.530 799 HB2 GLU 104 1HB GLU 104 -3.606 11.780 -4.443 800 HB3 GLU 104 2HB GLU 104 -3.132 11.211 -2.842 801 HG2 GLU 104 1HG GLU 104 -5.140 10.775 -2.141 802 HG3 GLU 104 2HG GLU 104 -5.964 11.514 -3.571 803 H LEU 105 H LEU 105 -4.569 12.468 -0.277 804 HA LEU 105 HA LEU 105 -6.887 14.262 -0.419 805 HB2 LEU 105 1HB LEU 105 -7.266 11.720 -1.148 806 HB3 LEU 105 2HB LEU 105 -7.110 11.494 0.475 807 HG LEU 105 HG LEU 105 -9.031 13.638 -0.215 808 HD11 LEU 105 1HD1 LEU 105 -10.567 11.452 -0.082 809 HD12 LEU 105 2HD1 LEU 105 -9.113 10.878 -0.959 810 HD13 LEU 105 3HD1 LEU 105 -10.065 12.227 -1.642 811 HD21 LEU 105 1HD2 LEU 105 -9.832 11.670 1.605 812 HD22 LEU 105 2HD2 LEU 105 -9.309 13.389 1.741 813 HD23 LEU 105 3HD2 LEU 105 -8.108 12.152 1.779 814 H ASP 106 H ASP 106 -7.909 14.602 1.395 815 HA ASP 106 HA ASP 106 -6.734 15.146 3.960 816 HB2 ASP 106 1HB ASP 106 -8.567 16.534 3.030 817 HB3 ASP 106 2HB ASP 106 -9.334 15.155 2.383 818 H GLU 107 H GLU 107 -8.928 13.967 5.263 819 HA GLU 107 HA GLU 107 -8.976 11.115 4.556 820 HB2 GLU 107 1HB GLU 107 -8.141 10.374 6.568 821 HB3 GLU 107 2HB GLU 107 -7.442 11.971 6.168 822 HG2 GLU 107 1HG GLU 107 -8.747 13.117 7.656 823 HG3 GLU 107 2HG GLU 107 -9.667 11.682 8.078 824 H GLN 108 H GLN 108 -10.889 13.603 5.000 825 HA GLN 108 HA GLN 108 -13.133 11.874 5.729 826 HB2 GLN 108 1HB GLN 108 -12.596 14.177 6.923 827 HB3 GLN 108 2HB GLN 108 -13.142 14.753 5.334 828 HG2 GLN 108 1HG GLN 108 -15.208 13.696 5.530 829 HG3 GLN 108 2HG GLN 108 -14.613 12.750 6.898 830 HE21 GLN 108 1HE2 GLN 108 -16.900 15.643 7.860 831 HE22 GLN 108 2HE2 GLN 108 -17.007 14.412 6.638 832 H HIS 109 H HIS 109 -11.185 12.445 3.364 833 HA HIS 109 HA HIS 109 -13.565 11.979 1.887 834 HB2 HIS 109 1HB HIS 109 -11.037 12.913 1.107 835 HB3 HIS 109 2HB HIS 109 -12.347 12.876 -0.130 836 HD1 HIS 109 HD1 HIS 109 -14.304 14.366 2.230 837 HD2 HIS 109 HD2 HIS 109 -10.741 15.807 0.645 838 HE1 HIS 109 HE1 HIS 109 -14.335 16.827 2.641 839 HE2 HIS 109 HE2 HIS 109 -11.971 17.456 2.188 840 H VAL 110 H VAL 110 -10.737 10.866 2.792 841 HA VAL 110 HA VAL 110 -11.138 8.877 0.981 842 HB VAL 110 HB VAL 110 -9.166 7.657 2.152 843 HG11 VAL 110 1HG1 VAL 110 -7.901 9.228 0.576 844 HG12 VAL 110 2HG1 VAL 110 -9.321 10.255 0.811 845 HG13 VAL 110 3HG1 VAL 110 -9.497 8.665 0.038 846 HG21 VAL 110 1HG2 VAL 110 -9.212 9.219 4.047 847 HG22 VAL 110 2HG2 VAL 110 -8.909 10.502 2.812 848 HG23 VAL 110 3HG2 VAL 110 -7.673 9.279 3.128 849 H GLU 111 H GLU 111 -12.171 9.756 3.299 850 HA GLU 111 HA GLU 111 -13.072 7.814 5.147 851 HB2 GLU 111 1HB GLU 111 -13.098 10.207 5.309 852 HB3 GLU 111 2HB GLU 111 -14.088 10.590 4.263 853 HG2 GLU 111 1HG GLU 111 -15.064 8.453 5.817 854 HG3 GLU 111 2HG GLU 111 -15.076 10.031 6.694 855 H HIS 112 H HIS 112 -14.103 8.951 2.062 856 HA HIS 112 HA HIS 112 -16.256 7.093 1.955 857 HB2 HIS 112 1HB HIS 112 -14.925 8.827 0.151 858 HB3 HIS 112 2HB HIS 112 -16.471 8.080 -0.373 859 HD1 HIS 112 HD1 HIS 112 -18.690 9.050 0.936 860 HD2 HIS 112 HD2 HIS 112 -15.156 10.985 1.817 861 HE1 HIS 112 HE1 HIS 112 -19.366 11.063 2.252 862 HE2 HIS 112 HE2 HIS 112 -17.160 11.578 3.270 863 H ALA 113 H ALA 113 -13.083 7.030 1.399 864 HA ALA 113 HA ALA 113 -13.218 5.052 -0.495 865 HB1 ALA 113 1HB ALA 113 -11.010 5.512 1.196 866 HB2 ALA 113 2HB ALA 113 -11.675 6.872 0.227 867 HB3 ALA 113 3HB ALA 113 -11.003 5.380 -0.608 868 H ARG 114 H ARG 114 -12.765 5.648 2.769 869 HA ARG 114 HA ARG 114 -12.070 3.240 3.605 870 HB2 ARG 114 1HB ARG 114 -12.204 5.561 4.924 871 HB3 ARG 114 2HB ARG 114 -13.827 5.094 5.178 872 HG2 ARG 114 1HG ARG 114 -11.736 3.158 6.075 873 HG3 ARG 114 2HG ARG 114 -12.175 4.540 7.078 874 HD2 ARG 114 1HD ARG 114 -14.366 3.803 7.342 875 HD3 ARG 114 2HD ARG 114 -14.281 2.746 5.943 876 HE ARG 114 HE ARG 114 -12.929 2.222 8.504 877 HH11 ARG 114 1HH1 ARG 114 -14.451 1.063 5.516 878 HH12 ARG 114 2HH1 ARG 114 -14.765 -0.497 6.042 879 HH21 ARG 114 1HH2 ARG 114 -13.286 -0.090 9.262 880 HH22 ARG 114 2HH2 ARG 114 -14.059 -1.157 8.165 881 H LYS 115 H LYS 115 -15.116 4.425 2.188 882 HA LYS 115 HA LYS 115 -16.652 2.490 3.566 883 HB2 LYS 115 1HB LYS 115 -18.268 4.230 3.773 884 HB3 LYS 115 2HB LYS 115 -16.744 5.135 3.650 885 HG2 LYS 115 1HG LYS 115 -17.999 6.290 2.262 886 HG3 LYS 115 2HG LYS 115 -17.102 5.171 1.213 887 HD2 LYS 115 1HD LYS 115 -19.178 3.683 1.448 888 HD3 LYS 115 2HD LYS 115 -19.987 5.169 1.975 889 HE2 LYS 115 1HE LYS 115 -19.206 6.288 0.000 890 HE3 LYS 115 2HE LYS 115 -18.377 4.765 -0.424 891 HZ1 LYS 115 1HZ LYS 115 -20.666 3.733 -0.374 892 HZ2 LYS 115 2HZ LYS 115 -20.487 4.652 -1.659 893 HZ3 LYS 115 3HZ LYS 115 -21.391 5.230 -0.316 894 H GLN 116 H GLN 116 -15.164 3.595 0.552 895 HA GLN 116 HA GLN 116 -17.030 2.479 -0.822 896 HB2 GLN 116 1HB GLN 116 -15.457 2.393 -2.859 897 HB3 GLN 116 2HB GLN 116 -15.702 3.942 -2.060 898 HG2 GLN 116 1HG GLN 116 -13.514 4.013 -2.174 899 HG3 GLN 116 2HG GLN 116 -13.696 3.092 -0.662 900 HE21 GLN 116 1HE2 GLN 116 -12.305 0.145 -2.155 901 HE22 GLN 116 2HE2 GLN 116 -13.401 0.661 -0.940 902 H LEU 117 H LEU 117 -14.750 0.779 0.920 903 HA LEU 117 HA LEU 117 -15.272 -1.720 -0.270 904 HB2 LEU 117 1HB LEU 117 -13.336 -0.327 0.651 905 HB3 LEU 117 2HB LEU 117 -13.490 -1.429 1.936 906 HG LEU 117 HG LEU 117 -12.273 -1.820 -0.002 907 HD11 LEU 117 1HD1 LEU 117 -12.814 -3.530 1.500 908 HD12 LEU 117 2HD1 LEU 117 -12.918 -4.399 -0.017 909 HD13 LEU 117 3HD1 LEU 117 -14.411 -3.798 0.799 910 HD21 LEU 117 1HD2 LEU 117 -13.165 -2.843 -2.069 911 HD22 LEU 117 2HD2 LEU 117 -13.731 -1.205 -1.874 912 HD23 LEU 117 3HD2 LEU 117 -14.791 -2.566 -1.629 913 H GLU 118 H GLU 118 -16.847 0.277 1.940 914 HA GLU 118 HA GLU 118 -17.876 -2.057 2.987 915 HB2 GLU 118 1HB GLU 118 -18.651 0.837 3.483 916 HB3 GLU 118 2HB GLU 118 -19.370 -0.527 4.319 917 HG2 GLU 118 1HG GLU 118 -16.518 0.412 4.510 918 HG3 GLU 118 2HG GLU 118 -17.768 0.561 5.741 919 H GLU 119 H GLU 119 -17.864 -0.671 0.314 920 HA GLU 119 HA GLU 119 -20.599 -0.664 -0.367 921 HB2 GLU 119 1HB GLU 119 -18.125 -0.444 -2.009 922 HB3 GLU 119 2HB GLU 119 -19.757 -0.251 -2.713 923 HG2 GLU 119 1HG GLU 119 -18.599 1.136 -0.509 924 HG3 GLU 119 2HG GLU 119 -18.365 1.779 -2.163 925 H ALA 120 H ALA 120 -17.418 -2.214 -0.901 926 HA ALA 120 HA ALA 120 -18.456 -4.215 -2.502 927 HB1 ALA 120 1HB ALA 120 -16.389 -2.951 -2.551 928 HB2 ALA 120 2HB ALA 120 -16.244 -4.666 -2.848 929 HB3 ALA 120 3HB ALA 120 -15.853 -3.946 -1.218 930 H LYS 121 H LYS 121 -17.329 -4.112 0.648 931 HA LYS 121 HA LYS 121 -17.668 -6.757 1.466 932 HB2 LYS 121 1HB LYS 121 -17.716 -4.142 2.533 933 HB3 LYS 121 2HB LYS 121 -18.173 -5.558 3.601 934 HG2 LYS 121 1HG LYS 121 -16.154 -6.393 3.002 935 HG3 LYS 121 2HG LYS 121 -15.792 -5.028 1.968 936 HD2 LYS 121 1HD LYS 121 -14.585 -4.727 4.114 937 HD3 LYS 121 2HD LYS 121 -15.861 -3.586 3.572 938 HE2 LYS 121 1HE LYS 121 -16.135 -3.966 5.980 939 HE3 LYS 121 2HE LYS 121 -17.396 -4.590 4.877 940 HZ1 LYS 121 1HZ LYS 121 -15.269 -6.325 6.080 941 HZ2 LYS 121 2HZ LYS 121 -16.616 -6.882 5.274 942 HZ3 LYS 121 3HZ LYS 121 -16.775 -6.154 6.765 943 H ALA 122 H ALA 122 -19.669 -4.308 2.016 944 HA ALA 122 HA ALA 122 -21.700 -5.692 2.914 945 HB1 ALA 122 1HB ALA 122 -22.953 -3.752 2.649 946 HB2 ALA 122 2HB ALA 122 -21.742 -3.309 1.378 947 HB3 ALA 122 3HB ALA 122 -21.208 -3.498 3.080 948 H ARG 123 H ARG 123 -20.603 -5.607 -0.377 949 HA ARG 123 HA ARG 123 -23.142 -6.040 -1.363 950 HB2 ARG 123 1HB ARG 123 -22.252 -5.218 -3.294 951 HB3 ARG 123 2HB ARG 123 -20.800 -5.034 -2.263 952 HG2 ARG 123 1HG ARG 123 -20.172 -7.284 -2.852 953 HG3 ARG 123 2HG ARG 123 -21.407 -7.308 -4.130 954 HD2 ARG 123 1HD ARG 123 -20.302 -5.183 -5.005 955 HD3 ARG 123 2HD ARG 123 -19.106 -5.554 -3.729 956 HE ARG 123 HE ARG 123 -19.156 -7.818 -5.109 957 HH11 ARG 123 1HH1 ARG 123 -18.674 -4.486 -6.186 958 HH12 ARG 123 2HH1 ARG 123 -17.661 -4.849 -7.499 959 HH21 ARG 123 1HH2 ARG 123 -17.732 -8.386 -6.947 960 HH22 ARG 123 2HH2 ARG 123 -17.106 -7.167 -7.947 961 H VAL 124 H VAL 124 -20.530 -7.403 -0.250 962 HA VAL 124 HA VAL 124 -20.495 -9.757 -1.842 963 HB VAL 124 HB VAL 124 -18.847 -8.909 0.413 964 HG11 VAL 124 1HG1 VAL 124 -18.880 -11.188 0.411 965 HG12 VAL 124 2HG1 VAL 124 -17.279 -10.741 -0.317 966 HG13 VAL 124 3HG1 VAL 124 -18.671 -11.277 -1.345 967 HG21 VAL 124 1HG2 VAL 124 -17.079 -8.652 -1.270 968 HG22 VAL 124 2HG2 VAL 124 -18.520 -7.633 -1.360 969 HG23 VAL 124 3HG2 VAL 124 -18.332 -8.981 -2.512 970 H GLN 125 H GLN 125 -20.495 -8.804 1.135 971 HA GLN 125 HA GLN 125 -20.975 -9.415 3.179 972 HB2 GLN 125 1HB GLN 125 -21.923 -8.345 1.598 973 HB3 GLN 125 2HB GLN 125 -22.246 -7.782 2.735 974 HG2 GLN 125 1HG GLN 125 -23.965 -7.844 0.969 975 HG3 GLN 125 2HG GLN 125 -23.452 -9.501 0.625 976 HE21 GLN 125 1HE2 GLN 125 -25.984 -10.273 3.483 977 HE22 GLN 125 2HE2 GLN 125 -24.256 -10.239 3.524 978 H ALA 126 H ALA 126 -23.135 -11.282 1.124 979 HA ALA 126 HA ALA 126 -24.354 -12.795 2.888 980 HB1 ALA 126 1HB ALA 126 -23.744 -13.515 0.093 981 HB2 ALA 126 2HB ALA 126 -24.701 -12.136 0.639 982 HB3 ALA 126 3HB ALA 126 -25.223 -13.792 1.107 983 H GLN 127 H GLN 127 -21.752 -13.836 0.498 984 HA GLN 127 HA GLN 127 -20.951 -16.006 1.817 985 HB2 GLN 127 1HB GLN 127 -20.871 -14.733 -0.584 986 HB3 GLN 127 2HB GLN 127 -19.260 -14.482 0.051 987 HG2 GLN 127 1HG GLN 127 -20.824 -16.863 -0.153 988 HG3 GLN 127 2HG GLN 127 -19.531 -16.540 -1.337 989 HE21 GLN 127 1HE2 GLN 127 -16.915 -17.497 0.920 990 HE22 GLN 127 2HE2 GLN 127 -17.311 -16.536 -0.467 991 H ARG 128 H ARG 128 -19.626 -15.952 3.536 992 HA ARG 128 HA ARG 128 -18.742 -13.580 4.187 993 HB2 ARG 128 1HB ARG 128 -18.129 -16.074 5.738 994 HB3 ARG 128 2HB ARG 128 -17.599 -14.387 6.037 995 HG2 ARG 128 1HG ARG 128 -20.434 -14.840 5.600 996 HG3 ARG 128 2HG ARG 128 -19.825 -15.217 7.257 997 HD2 ARG 128 1HD ARG 128 -19.786 -12.777 5.578 998 HD3 ARG 128 2HD ARG 128 -20.745 -12.979 7.041 999 HE ARG 128 HE ARG 128 -18.456 -13.182 8.169 1000 HH11 ARG 128 1HH1 ARG 128 -19.064 -11.045 5.391 1001 HH12 ARG 128 2HH1 ARG 128 -17.848 -9.920 5.804 1002 HH21 ARG 128 1HH2 ARG 128 -16.768 -11.546 8.768 1003 HH22 ARG 128 2HH2 ARG 128 -16.537 -10.214 7.747 1004 H ALA 129 H ALA 129 -17.300 -12.863 2.877 1005 HA ALA 129 HA ALA 129 -14.810 -13.994 2.749 1006 HB1 ALA 129 1HB ALA 129 -14.887 -13.466 0.289 1007 HB2 ALA 129 2HB ALA 129 -16.686 -13.535 0.598 1008 HB3 ALA 129 3HB ALA 129 -15.613 -14.902 1.026 1009 H GLU 130 H GLU 130 -13.409 -12.291 3.039 1010 HA GLU 130 HA GLU 130 -13.643 -9.904 1.889 1011 HB2 GLU 130 1HB GLU 130 -13.857 -8.475 4.069 1012 HB3 GLU 130 2HB GLU 130 -15.315 -9.132 3.348 1013 HG2 GLU 130 1HG GLU 130 -15.272 -10.958 4.920 1014 HG3 GLU 130 2HG GLU 130 -13.844 -10.271 5.691 1015 H GLN 131 H GLN 131 -12.417 -11.558 4.701 1016 HA GLN 131 HA GLN 131 -9.746 -10.578 4.121 1017 HB2 GLN 131 1HB GLN 131 -10.959 -12.192 6.357 1018 HB3 GLN 131 2HB GLN 131 -9.213 -12.073 6.160 1019 HG2 GLN 131 1HG GLN 131 -9.345 -9.654 6.344 1020 HG3 GLN 131 2HG GLN 131 -11.094 -9.755 6.515 1021 HE21 GLN 131 1HE2 GLN 131 -9.117 -9.579 9.759 1022 HE22 GLN 131 2HE2 GLN 131 -8.844 -8.822 8.222 1023 H GLN 132 H GLN 132 -11.206 -12.157 2.299 1024 HA GLN 132 HA GLN 132 -9.858 -14.697 2.335 1025 HB2 GLN 132 1HB GLN 132 -12.368 -13.783 1.002 1026 HB3 GLN 132 2HB GLN 132 -11.583 -15.332 0.618 1027 HG2 GLN 132 1HG GLN 132 -12.422 -14.467 3.334 1028 HG3 GLN 132 2HG GLN 132 -13.491 -15.406 2.271 1029 HE21 GLN 132 1HE2 GLN 132 -12.227 -18.170 3.976 1030 HE22 GLN 132 2HE2 GLN 132 -13.592 -17.150 3.667 1031 H ALA 133 H ALA 133 -9.401 -11.686 1.113 1032 HA ALA 133 HA ALA 133 -8.017 -12.570 -1.247 1033 HB1 ALA 133 1HB ALA 133 -10.251 -12.077 -2.097 1034 HB2 ALA 133 2HB ALA 133 -9.084 -10.882 -2.664 1035 HB3 ALA 133 3HB ALA 133 -10.198 -10.476 -1.352 Start of MODEL 12 1 H1 MET 1 1H MET 1 28.585 -10.770 19.500 2 H2 MET 1 2H MET 1 28.750 -11.570 17.991 3 H3 MET 1 3H MET 1 28.818 -12.462 19.386 4 HA MET 1 HA MET 1 26.522 -12.072 19.829 5 HB2 MET 1 1HB MET 1 26.590 -10.697 17.105 6 HB3 MET 1 2HB MET 1 25.148 -11.011 18.059 7 HG2 MET 1 1HG MET 1 25.944 -9.473 19.781 8 HG3 MET 1 2HG MET 1 27.406 -9.176 18.849 9 HE1 MET 1 1HE MET 1 23.583 -8.513 19.237 10 HE2 MET 1 2HE MET 1 23.581 -9.462 17.748 11 HE3 MET 1 3HE MET 1 23.167 -7.749 17.703 12 H GLY 2 H GLY 2 24.829 -13.108 17.899 13 HA2 GLY 2 1HA GLY 2 26.393 -15.447 17.082 14 HA3 GLY 2 2HA GLY 2 24.638 -15.377 17.248 15 H SER 3 H SER 3 23.887 -15.813 15.267 16 HA SER 3 HA SER 3 25.109 -14.793 12.869 17 HB2 SER 3 1HB SER 3 24.011 -17.046 13.029 18 HB3 SER 3 2HB SER 3 22.466 -16.243 13.294 19 HG SER 3 HG SER 3 22.672 -15.320 11.239 20 H SER 4 H SER 4 24.442 -12.765 14.578 21 HA SER 4 HA SER 4 21.884 -11.564 13.930 22 HB2 SER 4 1HB SER 4 24.139 -10.490 15.618 23 HB3 SER 4 2HB SER 4 22.426 -10.069 15.698 24 HG SER 4 HG SER 4 22.014 -12.223 16.369 25 H HIS 5 H HIS 5 24.338 -11.889 12.086 26 HA HIS 5 HA HIS 5 25.436 -9.315 11.577 27 HB2 HIS 5 1HB HIS 5 26.659 -11.353 10.957 28 HB3 HIS 5 2HB HIS 5 25.390 -11.789 9.822 29 HD1 HIS 5 HD1 HIS 5 25.218 -10.299 7.647 30 HD2 HIS 5 HD2 HIS 5 28.574 -9.591 9.988 31 HE1 HIS 5 HE1 HIS 5 26.820 -9.037 6.161 32 HE2 HIS 5 HE2 HIS 5 28.900 -8.771 7.551 33 H HIS 6 H HIS 6 23.871 -7.873 11.254 34 HA HIS 6 HA HIS 6 21.959 -8.296 9.120 35 HB2 HIS 6 1HB HIS 6 22.107 -6.407 11.421 36 HB3 HIS 6 2HB HIS 6 21.065 -6.039 10.053 37 HD1 HIS 6 HD1 HIS 6 20.997 -7.705 13.217 38 HD2 HIS 6 HD2 HIS 6 19.216 -8.319 9.524 39 HE1 HIS 6 HE1 HIS 6 18.962 -9.111 13.671 40 HE2 HIS 6 HE2 HIS 6 17.723 -8.889 11.495 41 H HIS 7 H HIS 7 21.424 -5.677 8.299 42 HA HIS 7 HA HIS 7 23.762 -5.361 6.543 43 HB2 HIS 7 1HB HIS 7 21.424 -5.987 5.656 44 HB3 HIS 7 2HB HIS 7 20.951 -4.350 6.074 45 HD1 HIS 7 HD1 HIS 7 23.139 -2.657 4.908 46 HD2 HIS 7 HD2 HIS 7 21.747 -6.068 2.990 47 HE1 HIS 7 HE1 HIS 7 23.660 -2.321 2.447 48 HE2 HIS 7 HE2 HIS 7 22.530 -4.272 1.321 49 H HIS 8 H HIS 8 21.916 -3.900 9.001 50 HA HIS 8 HA HIS 8 22.381 -2.188 10.309 51 HB2 HIS 8 1HB HIS 8 24.201 -1.051 8.171 52 HB3 HIS 8 2HB HIS 8 23.833 -0.219 9.677 53 HD1 HIS 8 HD1 HIS 8 26.136 -2.550 8.206 54 HD2 HIS 8 HD2 HIS 8 24.702 -1.790 12.023 55 HE1 HIS 8 HE1 HIS 8 27.786 -3.647 9.776 56 HE2 HIS 8 HE2 HIS 8 26.846 -3.231 12.084 57 H HIS 9 H HIS 9 20.419 -2.033 10.274 58 HA HIS 9 HA HIS 9 18.367 -1.328 9.688 59 HB2 HIS 9 1HB HIS 9 19.686 0.583 11.447 60 HB3 HIS 9 2HB HIS 9 18.104 1.044 10.821 61 HD1 HIS 9 HD1 HIS 9 16.056 -0.546 11.432 62 HD2 HIS 9 HD2 HIS 9 19.664 -1.448 13.333 63 HE1 HIS 9 HE1 HIS 9 15.458 -2.049 13.311 64 HE2 HIS 9 HE2 HIS 9 17.627 -2.414 14.574 65 H HIS 10 H HIS 10 17.660 -1.263 7.898 66 HA HIS 10 HA HIS 10 17.617 1.315 6.494 67 HB2 HIS 10 1HB HIS 10 16.574 -1.431 5.750 68 HB3 HIS 10 2HB HIS 10 16.302 0.012 4.791 69 HD1 HIS 10 HD1 HIS 10 18.058 -2.798 4.396 70 HD2 HIS 10 HD2 HIS 10 19.281 1.166 4.560 71 HE1 HIS 10 HE1 HIS 10 20.167 -2.689 3.047 72 HE2 HIS 10 HE2 HIS 10 20.465 -0.190 2.787 73 H SER 11 H SER 11 15.621 -1.311 7.719 74 HA SER 11 HA SER 11 13.193 0.159 7.711 75 HB2 SER 11 1HB SER 11 12.642 -2.099 8.571 76 HB3 SER 11 2HB SER 11 13.128 -1.954 6.878 77 HG SER 11 HG SER 11 14.221 -3.568 8.524 78 H GLN 12 H GLN 12 11.824 -0.434 9.566 79 HA GLN 12 HA GLN 12 13.067 0.732 11.957 80 HB2 GLN 12 1HB GLN 12 10.391 1.413 10.738 81 HB3 GLN 12 2HB GLN 12 11.252 2.242 12.040 82 HG2 GLN 12 1HG GLN 12 12.954 3.006 10.517 83 HG3 GLN 12 2HG GLN 12 12.274 2.049 9.204 84 HE21 GLN 12 1HE2 GLN 12 9.382 4.500 9.421 85 HE22 GLN 12 2HE2 GLN 12 9.518 2.856 9.960 86 H ASP 13 H ASP 13 12.576 -1.885 11.234 87 HA ASP 13 HA ASP 13 10.208 -2.974 12.198 88 HB2 ASP 13 1HB ASP 13 11.348 -4.808 11.139 89 HB3 ASP 13 2HB ASP 13 11.154 -3.466 10.065 90 HA PRO 14 HA PRO 14 12.423 -4.567 15.780 91 HB2 PRO 14 2HB PRO 14 12.046 -7.393 15.319 92 HB3 PRO 14 1HB PRO 14 11.226 -6.272 16.442 93 HG2 PRO 14 2HG PRO 14 9.941 -7.394 14.305 94 HG3 PRO 14 1HG PRO 14 9.510 -5.819 15.003 95 HD2 PRO 14 2HD PRO 14 11.244 -6.393 12.634 96 HD3 PRO 14 1HD PRO 14 9.964 -5.173 12.761 97 H MET 15 H MET 15 14.289 -3.908 14.950 98 HA MET 15 HA MET 15 16.451 -3.872 14.483 99 HB2 MET 15 1HB MET 15 15.899 -6.073 16.208 100 HB3 MET 15 2HB MET 15 17.638 -5.929 15.685 101 HG2 MET 15 1HG MET 15 15.691 -4.177 17.044 102 HG3 MET 15 2HG MET 15 17.011 -5.091 17.754 103 HE1 MET 15 1HE MET 15 16.596 -1.939 18.334 104 HE2 MET 15 2HE MET 15 18.230 -1.302 18.146 105 HE3 MET 15 3HE MET 15 17.972 -2.836 18.980 106 H GLU 16 H GLU 16 15.184 -4.481 12.334 107 HA GLU 16 HA GLU 16 15.610 -4.957 10.229 108 HB2 GLU 16 1HB GLU 16 18.223 -6.039 11.227 109 HB3 GLU 16 2HB GLU 16 17.766 -6.072 9.534 110 HG2 GLU 16 1HG GLU 16 17.659 -3.681 9.473 111 HG3 GLU 16 2HG GLU 16 17.967 -3.591 11.208 112 H ASN 17 H ASN 17 14.137 -6.111 9.632 113 HA ASN 17 HA ASN 17 14.054 -8.947 10.218 114 HB2 ASN 17 1HB ASN 17 11.981 -7.521 10.741 115 HB3 ASN 17 2HB ASN 17 11.986 -6.989 9.175 116 HD21 ASN 17 1HD2 ASN 17 10.158 -9.559 7.790 117 HD22 ASN 17 2HD2 ASN 17 11.078 -8.106 7.553 118 H GLN 18 H GLN 18 15.545 -7.433 8.362 119 HA GLN 18 HA GLN 18 14.885 -7.180 5.855 120 HB2 GLN 18 1HB GLN 18 17.621 -8.051 6.621 121 HB3 GLN 18 2HB GLN 18 16.733 -7.310 5.219 122 HG2 GLN 18 1HG GLN 18 16.347 -5.782 7.631 123 HG3 GLN 18 2HG GLN 18 18.050 -5.818 7.179 124 HE21 GLN 18 1HE2 GLN 18 15.328 -3.833 4.908 125 HE22 GLN 18 2HE2 GLN 18 14.830 -4.898 6.153 126 HA PRO 19 HA PRO 19 14.359 -11.474 4.639 127 HB2 PRO 19 2HB PRO 19 12.437 -10.406 2.902 128 HB3 PRO 19 1HB PRO 19 12.058 -11.321 4.418 129 HG2 PRO 19 2HG PRO 19 11.467 -8.721 3.828 130 HG3 PRO 19 1HG PRO 19 11.680 -9.343 5.477 131 HD2 PRO 19 2HD PRO 19 13.737 -7.843 3.824 132 HD3 PRO 19 1HD PRO 19 13.268 -7.813 5.579 133 H LYS 20 H LYS 20 14.717 -12.519 2.617 134 HA LYS 20 HA LYS 20 15.647 -11.083 0.434 135 HB2 LYS 20 1HB LYS 20 14.801 -13.907 0.779 136 HB3 LYS 20 2HB LYS 20 15.984 -13.235 -0.339 137 HG2 LYS 20 1HG LYS 20 16.270 -12.989 2.540 138 HG3 LYS 20 2HG LYS 20 17.086 -14.394 1.726 139 HD2 LYS 20 1HD LYS 20 18.608 -12.786 0.845 140 HD3 LYS 20 2HD LYS 20 17.456 -11.463 1.064 141 HE2 LYS 20 1HE LYS 20 18.836 -11.075 2.697 142 HE3 LYS 20 2HE LYS 20 17.596 -11.929 3.512 143 HZ1 LYS 20 1HZ LYS 20 19.701 -12.805 4.273 144 HZ2 LYS 20 2HZ LYS 20 20.157 -13.223 2.701 145 HZ3 LYS 20 3HZ LYS 20 18.851 -14.006 3.446 146 H LEU 21 H LEU 21 13.985 -9.907 -0.537 147 HA LEU 21 HA LEU 21 11.397 -10.213 -0.071 148 HB2 LEU 21 1HB LEU 21 13.236 -8.977 -1.883 149 HB3 LEU 21 2HB LEU 21 11.662 -8.361 -1.897 150 HG LEU 21 HG LEU 21 13.831 -8.113 -0.241 151 HD11 LEU 21 1HD1 LEU 21 12.366 -6.708 -1.589 152 HD12 LEU 21 2HD1 LEU 21 13.132 -6.167 -0.030 153 HD13 LEU 21 3HD1 LEU 21 11.398 -6.629 -0.012 154 HD21 LEU 21 1HD2 LEU 21 12.769 -9.198 1.312 155 HD22 LEU 21 2HD2 LEU 21 11.238 -8.420 0.634 156 HD23 LEU 21 3HD2 LEU 21 12.476 -7.405 1.554 157 H ASN 22 H ASN 22 13.099 -11.862 -2.327 158 HA ASN 22 HA ASN 22 12.627 -13.527 -3.737 159 HB2 ASN 22 1HB ASN 22 10.341 -13.393 -1.951 160 HB3 ASN 22 2HB ASN 22 10.517 -14.805 -3.033 161 HD21 ASN 22 1HD2 ASN 22 11.894 -15.254 0.229 162 HD22 ASN 22 2HD2 ASN 22 10.353 -14.701 -0.319 163 H SER 23 H SER 23 11.533 -10.806 -3.965 164 HA SER 23 HA SER 23 11.166 -9.594 -5.728 165 HB2 SER 23 1HB SER 23 10.934 -10.489 -8.075 166 HB3 SER 23 2HB SER 23 12.355 -11.022 -7.207 167 HG SER 23 HG SER 23 10.531 -12.843 -6.736 168 H SER 24 H SER 24 8.799 -10.873 -4.132 169 HA SER 24 HA SER 24 7.078 -8.884 -5.159 170 HB2 SER 24 1HB SER 24 6.167 -11.730 -5.680 171 HB3 SER 24 2HB SER 24 5.033 -10.392 -5.570 172 HG SER 24 HG SER 24 7.245 -10.217 -7.270 173 H LYS 25 H LYS 25 5.932 -11.790 -3.210 174 HA LYS 25 HA LYS 25 4.231 -10.253 -1.767 175 HB2 LYS 25 1HB LYS 25 3.941 -12.487 -2.161 176 HB3 LYS 25 2HB LYS 25 5.556 -12.880 -1.707 177 HG2 LYS 25 1HG LYS 25 5.097 -13.199 0.299 178 HG3 LYS 25 2HG LYS 25 4.429 -11.570 0.412 179 HD2 LYS 25 1HD LYS 25 2.742 -13.116 1.127 180 HD3 LYS 25 2HD LYS 25 2.411 -12.425 -0.490 181 HE2 LYS 25 1HE LYS 25 1.972 -14.863 -0.559 182 HE3 LYS 25 2HE LYS 25 3.297 -14.207 -1.559 183 HZ1 LYS 25 1HZ LYS 25 4.928 -15.038 0.050 184 HZ2 LYS 25 2HZ LYS 25 4.010 -16.322 -0.455 185 HZ3 LYS 25 3HZ LYS 25 3.723 -15.612 1.052 186 H GLU 26 H GLU 26 7.055 -11.903 -0.999 187 HA GLU 26 HA GLU 26 7.206 -11.011 1.555 188 HB2 GLU 26 1HB GLU 26 9.434 -12.209 -0.099 189 HB3 GLU 26 2HB GLU 26 9.629 -11.865 1.605 190 HG2 GLU 26 1HG GLU 26 9.157 -14.224 1.253 191 HG3 GLU 26 2HG GLU 26 7.842 -13.466 2.136 192 H VAL 27 H VAL 27 7.878 -9.170 -1.114 193 HA VAL 27 HA VAL 27 9.772 -7.353 0.271 194 HB VAL 27 HB VAL 27 10.417 -6.620 -1.652 195 HG11 VAL 27 1HG1 VAL 27 10.047 -8.929 -1.967 196 HG12 VAL 27 2HG1 VAL 27 10.313 -7.899 -3.418 197 HG13 VAL 27 3HG1 VAL 27 8.608 -8.472 -2.930 198 HG21 VAL 27 1HG2 VAL 27 8.459 -5.370 -1.555 199 HG22 VAL 27 2HG2 VAL 27 7.696 -6.554 -2.707 200 HG23 VAL 27 3HG2 VAL 27 9.123 -5.572 -3.204 201 H ILE 28 H ILE 28 6.265 -7.699 -0.238 202 HA ILE 28 HA ILE 28 5.701 -5.141 0.456 203 HB ILE 28 HB ILE 28 4.595 -7.789 1.046 204 HG12 ILE 28 1HG1 ILE 28 3.595 -7.493 -1.154 205 HG13 ILE 28 2HG1 ILE 28 2.817 -6.574 -0.015 206 HG21 ILE 28 1HG2 ILE 28 3.889 -6.376 2.939 207 HG22 ILE 28 2HG2 ILE 28 2.483 -6.772 1.949 208 HG23 ILE 28 3HG2 ILE 28 3.195 -5.173 1.836 209 HD11 ILE 28 1HD1 ILE 28 3.502 -5.330 -2.094 210 HD12 ILE 28 2HD1 ILE 28 5.031 -5.223 -1.168 211 HD13 ILE 28 3HD1 ILE 28 3.597 -4.480 -0.498 212 H ALA 29 H ALA 29 6.499 -7.987 2.004 213 HA ALA 29 HA ALA 29 6.309 -7.235 4.494 214 HB1 ALA 29 1HB ALA 29 6.509 -9.387 3.991 215 HB2 ALA 29 2HB ALA 29 8.036 -9.027 4.914 216 HB3 ALA 29 3HB ALA 29 7.979 -9.056 3.099 217 H PHE 30 H PHE 30 9.183 -6.794 2.382 218 HA PHE 30 HA PHE 30 10.791 -5.638 4.378 219 HB2 PHE 30 2HB PHE 30 12.102 -5.997 2.684 220 HB3 PHE 30 1HB PHE 30 10.714 -5.944 1.555 221 HD1 PHE 30 1HD PHE 30 10.663 -4.386 0.003 222 HD2 PHE 30 2HD PHE 30 12.836 -3.466 3.634 223 HE1 PHE 30 1HE PHE 30 11.417 -2.290 -0.861 224 HE2 PHE 30 2HE PHE 30 13.540 -1.437 2.689 225 HZ PHE 30 HZ PHE 30 12.857 -0.829 0.456 226 H LEU 31 H LEU 31 8.609 -4.518 1.857 227 HA LEU 31 HA LEU 31 8.890 -1.865 2.127 228 HB2 LEU 31 1HB LEU 31 6.821 -3.735 1.436 229 HB3 LEU 31 2HB LEU 31 6.293 -2.065 1.357 230 HG LEU 31 HG LEU 31 8.338 -3.566 -0.104 231 HD11 LEU 31 1HD1 LEU 31 7.242 -3.177 -1.793 232 HD12 LEU 31 2HD1 LEU 31 6.530 -1.609 -1.384 233 HD13 LEU 31 3HD1 LEU 31 5.861 -3.163 -0.672 234 HD21 LEU 31 1HD2 LEU 31 8.311 -0.659 0.439 235 HD22 LEU 31 2HD2 LEU 31 8.820 -1.275 -1.140 236 HD23 LEU 31 3HD2 LEU 31 9.630 -1.878 0.321 237 H ALA 32 H ALA 32 7.151 -4.098 3.924 238 HA ALA 32 HA ALA 32 5.655 -2.204 5.517 239 HB1 ALA 32 1HB ALA 32 4.746 -4.143 6.469 240 HB2 ALA 32 2HB ALA 32 6.104 -5.091 5.728 241 HB3 ALA 32 3HB ALA 32 4.896 -4.270 4.721 242 H GLU 33 H GLU 33 8.627 -4.053 5.970 243 HA GLU 33 HA GLU 33 8.572 -3.591 8.692 244 HB2 GLU 33 1HB GLU 33 10.525 -4.978 8.700 245 HB3 GLU 33 2HB GLU 33 9.413 -5.202 7.315 246 HG2 GLU 33 1HG GLU 33 10.624 -4.336 5.827 247 HG3 GLU 33 2HG GLU 33 11.703 -3.509 6.889 248 H ARG 34 H ARG 34 9.505 -2.239 6.011 249 HA ARG 34 HA ARG 34 11.384 -0.203 6.790 250 HB2 ARG 34 1HB ARG 34 11.493 -1.608 4.799 251 HB3 ARG 34 2HB ARG 34 10.028 -0.904 4.200 252 HG2 ARG 34 1HG ARG 34 11.886 0.023 3.174 253 HG3 ARG 34 2HG ARG 34 11.018 1.141 4.325 254 HD2 ARG 34 1HD ARG 34 12.661 1.076 5.871 255 HD3 ARG 34 2HD ARG 34 13.204 -0.474 5.183 256 HE ARG 34 HE ARG 34 14.299 0.585 3.569 257 HH11 ARG 34 1HH1 ARG 34 12.821 2.941 5.803 258 HH12 ARG 34 2HH1 ARG 34 13.913 4.204 5.500 259 HH21 ARG 34 1HH2 ARG 34 15.847 2.323 3.163 260 HH22 ARG 34 2HH2 ARG 34 15.708 3.869 3.869 261 H PHE 35 H PHE 35 8.064 -0.318 5.337 262 HA PHE 35 HA PHE 35 7.592 2.363 6.304 263 HB2 PHE 35 2HB PHE 35 6.980 0.568 4.272 264 HB3 PHE 35 1HB PHE 35 5.768 1.720 4.274 265 HD1 PHE 35 1HD PHE 35 7.787 0.577 2.363 266 HD2 PHE 35 2HD PHE 35 8.014 4.036 4.775 267 HE1 PHE 35 1HE PHE 35 9.384 1.359 0.969 268 HE2 PHE 35 2HE PHE 35 9.737 4.942 3.284 269 HZ PHE 35 HZ PHE 35 10.480 3.561 1.304 270 HA PRO 36 HA PRO 36 4.921 -0.607 9.074 271 HB2 PRO 36 2HB PRO 36 5.109 1.997 10.449 272 HB3 PRO 36 1HB PRO 36 5.355 0.347 11.112 273 HG2 PRO 36 2HG PRO 36 7.261 2.265 10.330 274 HG3 PRO 36 1HG PRO 36 7.532 0.620 10.926 275 HD2 PRO 36 2HD PRO 36 8.155 1.447 8.421 276 HD3 PRO 36 1HD PRO 36 7.828 -0.216 8.881 277 H HIS 37 H HIS 37 4.571 2.529 7.498 278 HA HIS 37 HA HIS 37 1.799 2.845 8.415 279 HB2 HIS 37 1HB HIS 37 3.502 5.037 7.618 280 HB3 HIS 37 2HB HIS 37 2.823 4.477 6.167 281 HD1 HIS 37 HD1 HIS 37 2.129 6.941 8.556 282 HD2 HIS 37 HD2 HIS 37 -0.013 4.232 6.311 283 HE1 HIS 37 HE1 HIS 37 -0.158 7.932 8.433 284 HE2 HIS 37 HE2 HIS 37 -1.225 6.543 6.653 285 H CYS 38 H CYS 38 3.465 2.756 5.419 286 HA CYS 38 HA CYS 38 1.440 2.548 3.594 287 HB2 CYS 38 2HB CYS 38 4.242 1.521 3.279 288 HB3 CYS 38 1HB CYS 38 3.255 2.440 2.167 289 HG CYS 38 HG CYS 38 5.525 3.676 3.774 290 H PHE 39 H PHE 39 3.536 0.123 4.995 291 HA PHE 39 HA PHE 39 2.010 -1.811 3.522 292 HB2 PHE 39 2HB PHE 39 4.560 -1.010 4.205 293 HB3 PHE 39 1HB PHE 39 4.799 -2.553 3.858 294 HD1 PHE 39 1HD PHE 39 5.800 -0.022 2.930 295 HD2 PHE 39 2HD PHE 39 2.722 -2.470 1.431 296 HE1 PHE 39 1HE PHE 39 6.171 0.879 1.018 297 HE2 PHE 39 2HE PHE 39 3.057 -1.518 -0.767 298 HZ PHE 39 HZ PHE 39 4.781 0.226 -1.074 299 H SER 40 H SER 40 1.673 -3.773 4.485 300 HA SER 40 HA SER 40 1.345 -3.942 7.437 301 HB2 SER 40 1HB SER 40 0.547 -5.567 5.150 302 HB3 SER 40 2HB SER 40 0.253 -5.963 6.832 303 HG SER 40 HG SER 40 -0.449 -3.405 6.164 304 H ALA 41 H ALA 41 1.674 -6.759 5.907 305 HA ALA 41 HA ALA 41 3.493 -8.230 5.426 306 HB1 ALA 41 1HB ALA 41 5.461 -8.064 6.974 307 HB2 ALA 41 2HB ALA 41 4.439 -6.709 7.668 308 HB3 ALA 41 3HB ALA 41 4.985 -6.620 5.958 309 H GLU 42 H GLU 42 2.341 -6.839 8.134 310 HA GLU 42 HA GLU 42 1.737 -8.478 10.131 311 HB2 GLU 42 1HB GLU 42 0.420 -6.601 8.567 312 HB3 GLU 42 2HB GLU 42 -0.300 -6.946 9.916 313 HG2 GLU 42 1HG GLU 42 2.365 -6.005 10.344 314 HG3 GLU 42 2HG GLU 42 1.834 -5.399 8.926 315 H GLY 43 H GLY 43 0.487 -7.639 7.344 316 HA2 GLY 43 1HA GLY 43 -1.667 -9.498 7.647 317 HA3 GLY 43 2HA GLY 43 -2.124 -7.839 7.553 318 H GLU 44 H GLU 44 -3.369 -9.114 5.785 319 HA GLU 44 HA GLU 44 -2.705 -9.773 3.364 320 HB2 GLU 44 1HB GLU 44 -4.969 -9.189 4.668 321 HB3 GLU 44 2HB GLU 44 -4.810 -7.745 3.678 322 HG2 GLU 44 1HG GLU 44 -4.798 -9.017 1.718 323 HG3 GLU 44 2HG GLU 44 -4.998 -10.537 2.622 324 H ALA 45 H ALA 45 -3.510 -6.389 4.235 325 HA ALA 45 HA ALA 45 -1.292 -5.238 2.914 326 HB1 ALA 45 1HB ALA 45 -2.513 -5.882 0.972 327 HB2 ALA 45 2HB ALA 45 -2.499 -4.123 1.129 328 HB3 ALA 45 3HB ALA 45 -3.963 -5.052 1.561 329 H ARG 46 H ARG 46 -2.289 -2.742 2.357 330 HA ARG 46 HA ARG 46 -3.702 -1.777 4.698 331 HB2 ARG 46 1HB ARG 46 -1.146 -1.797 5.098 332 HB3 ARG 46 2HB ARG 46 -1.010 -0.728 3.718 333 HG2 ARG 46 1HG ARG 46 -0.983 0.819 5.358 334 HG3 ARG 46 2HG ARG 46 -2.727 0.714 5.165 335 HD2 ARG 46 1HD ARG 46 -2.392 0.566 7.487 336 HD3 ARG 46 2HD ARG 46 -2.601 -1.115 6.987 337 HE ARG 46 HE ARG 46 0.105 -0.053 7.121 338 HH11 ARG 46 1HH1 ARG 46 -2.321 -2.144 8.722 339 HH12 ARG 46 2HH1 ARG 46 -1.132 -2.910 9.706 340 HH21 ARG 46 1HH2 ARG 46 1.643 -1.125 8.631 341 HH22 ARG 46 2HH2 ARG 46 1.032 -2.300 9.705 342 HA PRO 47 HA PRO 47 -5.111 0.658 1.141 343 HB2 PRO 47 2HB PRO 47 -5.056 3.026 2.966 344 HB3 PRO 47 1HB PRO 47 -6.406 2.491 1.912 345 HG2 PRO 47 2HG PRO 47 -6.491 2.094 4.541 346 HG3 PRO 47 1HG PRO 47 -7.109 0.885 3.398 347 HD2 PRO 47 2HD PRO 47 -4.645 0.816 5.041 348 HD3 PRO 47 1HD PRO 47 -5.675 -0.515 4.492 349 H LEU 48 H LEU 48 -3.879 1.492 -0.408 350 HA LEU 48 HA LEU 48 -1.480 2.934 0.276 351 HB2 LEU 48 1HB LEU 48 -0.669 0.821 0.378 352 HB3 LEU 48 2HB LEU 48 -1.720 0.125 -0.791 353 HG LEU 48 HG LEU 48 -0.481 1.722 -2.301 354 HD11 LEU 48 1HD1 LEU 48 1.200 2.671 -1.001 355 HD12 LEU 48 2HD1 LEU 48 1.933 1.088 -1.512 356 HD13 LEU 48 3HD1 LEU 48 1.138 1.220 0.050 357 HD21 LEU 48 1HD2 LEU 48 0.956 0.143 -2.988 358 HD22 LEU 48 2HD2 LEU 48 -0.580 -0.663 -2.565 359 HD23 LEU 48 3HD2 LEU 48 0.846 -0.698 -1.459 360 H LYS 49 H LYS 49 -0.486 3.828 -1.880 361 HA LYS 49 HA LYS 49 -2.485 4.491 -3.813 362 HB2 LYS 49 1HB LYS 49 -0.601 5.941 -4.474 363 HB3 LYS 49 2HB LYS 49 -1.258 6.499 -2.922 364 HG2 LYS 49 1HG LYS 49 0.731 5.183 -1.964 365 HG3 LYS 49 2HG LYS 49 1.186 5.011 -3.662 366 HD2 LYS 49 1HD LYS 49 1.055 7.688 -2.163 367 HD3 LYS 49 2HD LYS 49 2.503 6.759 -2.400 368 HE2 LYS 49 1HE LYS 49 2.143 6.996 -4.911 369 HE3 LYS 49 2HE LYS 49 0.881 8.163 -4.543 370 HZ1 LYS 49 1HZ LYS 49 3.850 8.501 -3.982 371 HZ2 LYS 49 2HZ LYS 49 2.755 9.403 -3.229 372 HZ3 LYS 49 3HZ LYS 49 2.860 9.501 -4.879 373 H ILE 50 H ILE 50 -1.779 3.816 -5.892 374 HA ILE 50 HA ILE 50 0.311 1.844 -5.760 375 HB ILE 50 HB ILE 50 -1.948 2.179 -7.507 376 HG12 ILE 50 1HG1 ILE 50 -0.229 0.032 -6.286 377 HG13 ILE 50 2HG1 ILE 50 -1.823 0.634 -5.806 378 HG21 ILE 50 1HG2 ILE 50 -0.115 2.647 -9.002 379 HG22 ILE 50 2HG2 ILE 50 -0.780 0.989 -9.375 380 HG23 ILE 50 3HG2 ILE 50 0.676 1.249 -8.321 381 HD11 ILE 50 1HD1 ILE 50 -1.839 -1.599 -6.870 382 HD12 ILE 50 2HD1 ILE 50 -1.114 -0.852 -8.282 383 HD13 ILE 50 3HD1 ILE 50 -2.754 -0.319 -7.743 384 H GLY 51 H GLY 51 0.120 4.765 -7.155 385 HA2 GLY 51 1HA GLY 51 2.615 4.591 -8.624 386 HA3 GLY 51 2HA GLY 51 1.842 6.081 -8.098 387 H ILE 52 H ILE 52 2.052 4.766 -5.164 388 HA ILE 52 HA ILE 52 4.217 5.762 -4.009 389 HB ILE 52 HB ILE 52 2.619 4.586 -2.689 390 HG12 ILE 52 1HG1 ILE 52 5.140 3.317 -3.082 391 HG13 ILE 52 2HG1 ILE 52 4.808 4.603 -2.030 392 HG21 ILE 52 1HG2 ILE 52 2.266 2.273 -2.936 393 HG22 ILE 52 2HG2 ILE 52 3.579 2.177 -4.102 394 HG23 ILE 52 3HG2 ILE 52 2.035 2.946 -4.578 395 HD11 ILE 52 1HD1 ILE 52 3.307 2.118 -1.930 396 HD12 ILE 52 2HD1 ILE 52 3.759 3.167 -0.525 397 HD13 ILE 52 3HD1 ILE 52 4.942 2.103 -1.456 398 H PHE 53 H PHE 53 4.078 2.798 -5.929 399 HA PHE 53 HA PHE 53 6.135 1.456 -5.009 400 HB2 PHE 53 2HB PHE 53 4.910 0.604 -6.488 401 HB3 PHE 53 1HB PHE 53 4.917 1.930 -7.646 402 HD1 PHE 53 1HD PHE 53 6.710 1.947 -9.371 403 HD2 PHE 53 2HD PHE 53 6.770 -0.377 -5.987 404 HE1 PHE 53 1HE PHE 53 8.809 0.776 -10.219 405 HE2 PHE 53 2HE PHE 53 8.505 -1.637 -6.788 406 HZ PHE 53 HZ PHE 53 9.655 -1.141 -8.811 407 H GLN 54 H GLN 54 6.084 3.879 -7.375 408 HA GLN 54 HA GLN 54 8.741 4.343 -8.135 409 HB2 GLN 54 1HB GLN 54 6.527 4.993 -9.071 410 HB3 GLN 54 2HB GLN 54 6.362 5.498 -7.559 411 HG2 GLN 54 1HG GLN 54 8.285 6.915 -7.937 412 HG3 GLN 54 2HG GLN 54 7.354 7.453 -9.478 413 HE21 GLN 54 1HE2 GLN 54 7.124 7.386 -5.647 414 HE22 GLN 54 2HE2 GLN 54 6.163 6.218 -6.151 415 H ASP 55 H ASP 55 7.334 4.885 -5.410 416 HA ASP 55 HA ASP 55 8.899 7.123 -4.615 417 HB2 ASP 55 1HB ASP 55 6.311 6.180 -3.954 418 HB3 ASP 55 2HB ASP 55 7.095 6.465 -2.507 419 H LEU 56 H LEU 56 7.804 4.202 -3.711 420 HA LEU 56 HA LEU 56 9.231 3.346 -1.562 421 HB2 LEU 56 1HB LEU 56 8.055 2.431 -4.100 422 HB3 LEU 56 2HB LEU 56 7.914 2.920 -2.486 423 HG LEU 56 HG LEU 56 8.747 0.346 -2.546 424 HD11 LEU 56 1HD1 LEU 56 7.317 0.632 -0.657 425 HD12 LEU 56 2HD1 LEU 56 6.778 2.114 -1.471 426 HD13 LEU 56 3HD1 LEU 56 8.386 2.083 -0.642 427 HD21 LEU 56 1HD2 LEU 56 6.500 1.825 -3.113 428 HD22 LEU 56 2HD2 LEU 56 6.394 0.319 -2.250 429 HD23 LEU 56 3HD2 LEU 56 7.044 0.314 -3.966 430 H VAL 57 H VAL 57 9.650 3.201 -4.805 431 HA VAL 57 HA VAL 57 12.047 1.952 -4.690 432 HB VAL 57 HB VAL 57 12.427 2.353 -7.015 433 HG11 VAL 57 1HG1 VAL 57 10.966 0.668 -6.819 434 HG12 VAL 57 2HG1 VAL 57 9.684 2.039 -7.161 435 HG13 VAL 57 3HG1 VAL 57 10.141 1.649 -5.575 436 HG21 VAL 57 1HG2 VAL 57 10.182 4.333 -6.710 437 HG22 VAL 57 2HG2 VAL 57 10.769 3.611 -8.219 438 HG23 VAL 57 3HG2 VAL 57 11.882 4.567 -7.124 439 H ASP 58 H ASP 58 11.390 5.376 -4.714 440 HA ASP 58 HA ASP 58 13.636 6.667 -5.117 441 HB2 ASP 58 1HB ASP 58 11.368 7.154 -3.731 442 HB3 ASP 58 2HB ASP 58 12.449 6.773 -2.553 443 H ARG 59 H ARG 59 12.576 4.780 -2.467 444 HA ARG 59 HA ARG 59 14.610 5.256 -0.586 445 HB2 ARG 59 1HB ARG 59 11.925 4.728 -0.836 446 HB3 ARG 59 2HB ARG 59 12.588 4.201 0.754 447 HG2 ARG 59 1HG ARG 59 12.562 6.460 1.385 448 HG3 ARG 59 2HG ARG 59 12.961 7.010 -0.256 449 HD2 ARG 59 1HD ARG 59 10.821 6.662 -1.032 450 HD3 ARG 59 2HD ARG 59 10.359 5.675 0.326 451 HE ARG 59 HE ARG 59 10.512 7.918 1.574 452 HH11 ARG 59 1HH1 ARG 59 9.819 7.855 -1.891 453 HH12 ARG 59 2HH1 ARG 59 8.570 8.989 -1.890 454 HH21 ARG 59 1HH2 ARG 59 8.669 9.597 1.649 455 HH22 ARG 59 2HH2 ARG 59 7.942 9.987 0.176 456 H VAL 60 H VAL 60 12.327 2.635 -1.724 457 HA VAL 60 HA VAL 60 13.070 0.868 0.066 458 HB VAL 60 HB VAL 60 11.832 -0.628 -1.451 459 HG11 VAL 60 1HG1 VAL 60 11.196 2.082 -0.678 460 HG12 VAL 60 2HG1 VAL 60 10.562 0.416 -0.116 461 HG13 VAL 60 3HG1 VAL 60 10.220 1.117 -1.815 462 HG21 VAL 60 1HG2 VAL 60 12.363 1.494 -3.066 463 HG22 VAL 60 2HG2 VAL 60 10.683 1.024 -3.105 464 HG23 VAL 60 3HG2 VAL 60 11.978 -0.165 -3.543 465 H ALA 61 H ALA 61 14.044 1.204 -3.127 466 HA ALA 61 HA ALA 61 13.918 -1.315 -3.732 467 HB1 ALA 61 1HB ALA 61 13.875 0.472 -5.105 468 HB2 ALA 61 2HB ALA 61 14.698 -0.974 -5.709 469 HB3 ALA 61 3HB ALA 61 15.655 0.480 -5.226 470 H GLY 62 H GLY 62 16.876 -0.298 -4.006 471 HA2 GLY 62 1HA GLY 62 17.463 -3.107 -3.685 472 HA3 GLY 62 2HA GLY 62 18.530 -2.142 -4.624 473 H GLU 63 H GLU 63 17.153 -1.713 -1.714 474 HA GLU 63 HA GLU 63 19.304 -1.159 -0.057 475 HB2 GLU 63 1HB GLU 63 16.562 -2.046 0.321 476 HB3 GLU 63 2HB GLU 63 17.548 -1.941 1.734 477 HG2 GLU 63 1HG GLU 63 17.961 0.526 0.589 478 HG3 GLU 63 2HG GLU 63 16.389 0.102 -0.106 479 H MET 64 H MET 64 17.189 -3.972 -0.203 480 HA MET 64 HA MET 64 19.311 -5.633 0.830 481 HB2 MET 64 1HB MET 64 16.595 -6.611 0.381 482 HB3 MET 64 2HB MET 64 17.878 -7.358 1.229 483 HG2 MET 64 1HG MET 64 16.153 -6.727 2.513 484 HG3 MET 64 2HG MET 64 17.612 -5.864 3.102 485 HE1 MET 64 1HE MET 64 13.990 -5.626 1.555 486 HE2 MET 64 2HE MET 64 15.153 -5.497 0.218 487 HE3 MET 64 3HE MET 64 14.108 -4.120 0.667 488 H ASN 65 H ASN 65 16.891 -5.555 -1.324 489 HA ASN 65 HA ASN 65 18.379 -7.063 -3.211 490 HB2 ASN 65 1HB ASN 65 16.620 -8.933 -2.973 491 HB3 ASN 65 2HB ASN 65 17.853 -8.683 -1.642 492 HD21 ASN 65 1HD2 ASN 65 15.550 -9.146 0.475 493 HD22 ASN 65 2HD2 ASN 65 16.978 -9.501 -0.305 494 H LEU 66 H LEU 66 16.625 -4.804 -3.672 495 HA LEU 66 HA LEU 66 14.396 -5.758 -5.531 496 HB2 LEU 66 1HB LEU 66 14.947 -3.972 -3.660 497 HB3 LEU 66 2HB LEU 66 14.083 -2.998 -4.736 498 HG LEU 66 HG LEU 66 13.694 -4.673 -2.448 499 HD11 LEU 66 1HD1 LEU 66 11.594 -3.365 -2.361 500 HD12 LEU 66 2HD1 LEU 66 12.186 -2.608 -3.900 501 HD13 LEU 66 3HD1 LEU 66 13.134 -2.482 -2.460 502 HD21 LEU 66 1HD2 LEU 66 11.837 -5.225 -4.741 503 HD22 LEU 66 2HD2 LEU 66 11.626 -5.792 -3.043 504 HD23 LEU 66 3HD2 LEU 66 13.162 -6.105 -3.976 505 H SER 67 H SER 67 14.747 -5.692 -7.299 506 HA SER 67 HA SER 67 16.307 -3.688 -8.708 507 HB2 SER 67 1HB SER 67 16.610 -6.003 -9.199 508 HB3 SER 67 2HB SER 67 14.866 -6.219 -9.335 509 HG SER 67 HG SER 67 15.068 -4.747 -11.221 510 H LYS 68 H LYS 68 13.841 -2.810 -7.349 511 HA LYS 68 HA LYS 68 11.751 -1.844 -7.460 512 HB2 LYS 68 1HB LYS 68 11.777 -1.149 -10.172 513 HB3 LYS 68 2HB LYS 68 11.489 -0.089 -8.838 514 HG2 LYS 68 1HG LYS 68 14.103 -0.779 -10.150 515 HG3 LYS 68 2HG LYS 68 13.338 0.815 -10.002 516 HD2 LYS 68 1HD LYS 68 13.731 0.859 -7.653 517 HD3 LYS 68 2HD LYS 68 13.718 -0.859 -7.863 518 HE2 LYS 68 1HE LYS 68 16.085 0.163 -7.371 519 HE3 LYS 68 2HE LYS 68 15.981 -0.855 -8.807 520 HZ1 LYS 68 1HZ LYS 68 15.848 2.119 -8.786 521 HZ2 LYS 68 2HZ LYS 68 15.748 1.144 -10.161 522 HZ3 LYS 68 3HZ LYS 68 17.181 1.198 -9.272 523 H THR 69 H THR 69 12.097 -3.872 -10.403 524 HA THR 69 HA THR 69 9.343 -3.604 -10.718 525 HB THR 69 HB THR 69 9.583 -5.027 -12.284 526 HG1 THR 69 1HG THR 69 11.802 -6.073 -12.713 527 HG21 THR 69 1HG2 THR 69 11.338 -3.844 -13.730 528 HG22 THR 69 2HG2 THR 69 11.842 -3.170 -12.161 529 HG23 THR 69 3HG2 THR 69 10.228 -2.803 -12.787 530 H GLN 70 H GLN 70 11.462 -5.587 -9.200 531 HA GLN 70 HA GLN 70 9.630 -7.774 -8.665 532 HB2 GLN 70 1HB GLN 70 11.449 -8.601 -7.252 533 HB3 GLN 70 2HB GLN 70 12.100 -8.084 -8.776 534 HG2 GLN 70 1HG GLN 70 12.886 -6.110 -7.935 535 HG3 GLN 70 2HG GLN 70 11.890 -6.490 -6.510 536 HE21 GLN 70 1HE2 GLN 70 13.942 -8.343 -4.959 537 HE22 GLN 70 2HE2 GLN 70 12.334 -7.736 -5.114 538 H LEU 71 H LEU 71 9.885 -4.723 -7.611 539 HA LEU 71 HA LEU 71 8.547 -5.094 -4.998 540 HB2 LEU 71 1HB LEU 71 10.734 -3.785 -5.475 541 HB3 LEU 71 2HB LEU 71 9.895 -2.702 -6.362 542 HG LEU 71 HG LEU 71 10.374 -2.826 -3.673 543 HD11 LEU 71 1HD1 LEU 71 8.943 -0.764 -5.224 544 HD12 LEU 71 2HD1 LEU 71 10.714 -0.950 -5.145 545 HD13 LEU 71 3HD1 LEU 71 9.862 -0.492 -3.709 546 HD21 LEU 71 1HD2 LEU 71 8.415 -3.710 -3.155 547 HD22 LEU 71 2HD2 LEU 71 7.627 -2.866 -4.464 548 HD23 LEU 71 3HD2 LEU 71 8.123 -1.951 -3.010 549 H ARG 72 H ARG 72 8.291 -3.677 -8.207 550 HA ARG 72 HA ARG 72 5.978 -2.310 -7.541 551 HB2 ARG 72 1HB ARG 72 5.637 -2.013 -10.080 552 HB3 ARG 72 2HB ARG 72 7.317 -1.816 -9.551 553 HG2 ARG 72 1HG ARG 72 7.620 -3.039 -11.364 554 HG3 ARG 72 2HG ARG 72 7.578 -4.114 -9.898 555 HD2 ARG 72 1HD ARG 72 6.325 -5.304 -11.581 556 HD3 ARG 72 2HD ARG 72 5.276 -4.473 -10.391 557 HE ARG 72 HE ARG 72 5.378 -2.705 -12.383 558 HH11 ARG 72 1HH1 ARG 72 4.547 -6.168 -12.364 559 HH12 ARG 72 2HH1 ARG 72 3.541 -6.115 -13.720 560 HH21 ARG 72 1HH2 ARG 72 3.946 -2.609 -14.326 561 HH22 ARG 72 2HH2 ARG 72 3.192 -4.025 -14.861 562 H SER 73 H SER 73 6.631 -5.427 -8.240 563 HA SER 73 HA SER 73 4.150 -6.260 -9.132 564 HB2 SER 73 1HB SER 73 5.964 -6.807 -9.928 565 HB3 SER 73 2HB SER 73 6.778 -7.246 -8.547 566 HG SER 73 HG SER 73 5.650 -9.301 -8.565 567 H ALA 74 H ALA 74 5.731 -5.756 -6.382 568 HA ALA 74 HA ALA 74 4.124 -7.483 -4.547 569 HB1 ALA 74 1HB ALA 74 5.362 -6.165 -2.806 570 HB2 ALA 74 2HB ALA 74 6.175 -5.306 -4.136 571 HB3 ALA 74 3HB ALA 74 6.370 -7.029 -3.948 572 H LEU 75 H LEU 75 4.078 -4.699 -6.061 573 HA LEU 75 HA LEU 75 2.309 -3.423 -4.198 574 HB2 LEU 75 1HB LEU 75 4.387 -3.358 -5.179 575 HB3 LEU 75 2HB LEU 75 4.197 -2.300 -6.306 576 HG LEU 75 HG LEU 75 3.879 -2.242 -3.299 577 HD11 LEU 75 1HD1 LEU 75 5.773 -1.159 -3.399 578 HD12 LEU 75 2HD1 LEU 75 5.340 -0.464 -4.920 579 HD13 LEU 75 3HD1 LEU 75 6.005 -2.132 -4.894 580 HD21 LEU 75 1HD2 LEU 75 3.919 0.218 -4.818 581 HD22 LEU 75 2HD2 LEU 75 3.372 -0.112 -3.162 582 HD23 LEU 75 3HD2 LEU 75 2.322 -0.542 -4.545 583 H ARG 76 H ARG 76 2.138 -5.177 -6.971 584 HA ARG 76 HA ARG 76 -0.513 -4.140 -7.491 585 HB2 ARG 76 1HB ARG 76 1.268 -5.894 -9.149 586 HB3 ARG 76 2HB ARG 76 -0.468 -6.008 -9.374 587 HG2 ARG 76 1HG ARG 76 0.461 -4.576 -11.065 588 HG3 ARG 76 2HG ARG 76 -0.476 -3.580 -9.950 589 HD2 ARG 76 1HD ARG 76 2.076 -4.056 -9.108 590 HD3 ARG 76 2HD ARG 76 2.204 -3.132 -10.674 591 HE ARG 76 HE ARG 76 0.783 -2.404 -8.168 592 HH11 ARG 76 1HH1 ARG 76 2.707 -1.221 -10.856 593 HH12 ARG 76 2HH1 ARG 76 3.251 0.190 -10.051 594 HH21 ARG 76 1HH2 ARG 76 1.555 -0.603 -7.033 595 HH22 ARG 76 2HH2 ARG 76 2.526 0.595 -7.746 596 H LEU 77 H LEU 77 1.399 -6.512 -6.102 597 HA LEU 77 HA LEU 77 -0.159 -8.867 -6.145 598 HB2 LEU 77 1HB LEU 77 2.430 -8.472 -5.486 599 HB3 LEU 77 2HB LEU 77 1.836 -7.990 -4.133 600 HG LEU 77 HG LEU 77 0.582 -10.378 -4.295 601 HD11 LEU 77 1HD1 LEU 77 2.709 -11.698 -4.363 602 HD12 LEU 77 2HD1 LEU 77 3.485 -10.106 -4.312 603 HD13 LEU 77 3HD1 LEU 77 2.717 -10.638 -5.835 604 HD21 LEU 77 1HD2 LEU 77 2.779 -9.100 -3.057 605 HD22 LEU 77 2HD2 LEU 77 2.055 -10.570 -2.298 606 HD23 LEU 77 3HD2 LEU 77 1.141 -9.011 -2.406 607 H TYR 78 H TYR 78 0.784 -6.802 -3.518 608 HA TYR 78 HA TYR 78 -1.189 -8.017 -1.935 609 HB2 TYR 78 2HB TYR 78 0.024 -7.355 -0.077 610 HB3 TYR 78 1HB TYR 78 1.249 -7.067 -1.280 611 HD1 TYR 78 1HD TYR 78 0.760 -4.693 -2.442 612 HD2 TYR 78 2HD TYR 78 0.108 -5.875 1.498 613 HE1 TYR 78 1HE TYR 78 0.856 -2.446 -1.840 614 HE2 TYR 78 2HE TYR 78 0.239 -3.589 2.254 615 HH TYR 78 HH TYR 78 0.825 -1.404 1.608 616 H THR 79 H THR 79 -0.990 -5.547 -4.005 617 HA THR 79 HA THR 79 -3.019 -3.807 -2.776 618 HB THR 79 HB THR 79 -2.815 -2.380 -4.659 619 HG1 THR 79 1HG THR 79 -2.678 -3.822 -6.359 620 HG21 THR 79 1HG2 THR 79 -0.494 -1.896 -4.460 621 HG22 THR 79 2HG2 THR 79 -0.186 -3.577 -3.996 622 HG23 THR 79 3HG2 THR 79 -1.155 -2.547 -2.940 623 H SER 80 H SER 80 -3.029 -6.601 -4.547 624 HA SER 80 HA SER 80 -5.709 -6.224 -5.531 625 HB2 SER 80 1HB SER 80 -3.910 -8.672 -5.521 626 HB3 SER 80 2HB SER 80 -5.504 -8.599 -6.275 627 HG SER 80 HG SER 80 -3.152 -7.175 -6.988 628 H SER 81 H SER 81 -4.341 -6.589 -2.548 629 HA SER 81 HA SER 81 -6.140 -8.472 -1.463 630 HB2 SER 81 1HB SER 81 -4.380 -8.276 -0.089 631 HB3 SER 81 2HB SER 81 -4.084 -6.586 -0.551 632 HG SER 81 HG SER 81 -6.033 -7.592 1.244 633 H TRP 82 H TRP 82 -7.600 -7.822 -0.040 634 HA TRP 82 HA TRP 82 -9.404 -5.600 -0.999 635 HB2 TRP 82 2HB TRP 82 -10.166 -8.146 -0.206 636 HB3 TRP 82 1HB TRP 82 -10.139 -7.262 1.300 637 HD1 TRP 82 1HD TRP 82 -11.106 -5.644 -1.854 638 HE1 TRP 82 1HE TRP 82 -13.557 -5.258 -1.843 639 HE3 TRP 82 3HE TRP 82 -12.131 -8.122 2.306 640 HZ2 TRP 82 2HZ TRP 82 -15.669 -5.832 -0.211 641 HZ3 TRP 82 3HZ TRP 82 -14.379 -8.127 3.058 642 HH2 TRP 82 2HH TRP 82 -16.182 -7.013 1.736 643 H ARG 83 H ARG 83 -8.023 -6.800 1.727 644 HA ARG 83 HA ARG 83 -8.664 -4.611 3.322 645 HB2 ARG 83 1HB ARG 83 -8.085 -5.993 4.675 646 HB3 ARG 83 2HB ARG 83 -6.915 -6.906 3.702 647 HG2 ARG 83 1HG ARG 83 -5.228 -5.226 4.269 648 HG3 ARG 83 2HG ARG 83 -6.408 -4.326 5.197 649 HD2 ARG 83 1HD ARG 83 -6.467 -6.121 6.878 650 HD3 ARG 83 2HD ARG 83 -5.501 -7.161 5.815 651 HE ARG 83 HE ARG 83 -3.951 -5.008 6.081 652 HH11 ARG 83 1HH1 ARG 83 -5.396 -6.998 8.641 653 HH12 ARG 83 2HH1 ARG 83 -4.099 -6.765 9.733 654 HH21 ARG 83 1HH2 ARG 83 -2.163 -4.750 7.527 655 HH22 ARG 83 2HH2 ARG 83 -2.151 -5.374 9.080 656 H TYR 84 H TYR 84 -6.371 -4.864 1.041 657 HA TYR 84 HA TYR 84 -4.923 -2.447 1.365 658 HB2 TYR 84 2HB TYR 84 -4.377 -4.107 -0.395 659 HB3 TYR 84 1HB TYR 84 -5.966 -3.936 -0.989 660 HD1 TYR 84 1HD TYR 84 -2.665 -1.776 -0.903 661 HD2 TYR 84 2HD TYR 84 -6.612 -2.550 -2.411 662 HE1 TYR 84 1HE TYR 84 -2.332 -0.235 -2.528 663 HE2 TYR 84 2HE TYR 84 -6.200 -0.879 -4.182 664 HH TYR 84 HH TYR 84 -4.725 1.052 -4.576 665 H LEU 85 H LEU 85 -7.802 -3.051 -0.546 666 HA LEU 85 HA LEU 85 -8.189 -0.283 -0.706 667 HB2 LEU 85 1HB LEU 85 -10.216 -0.700 -1.845 668 HB3 LEU 85 2HB LEU 85 -8.575 -0.906 -2.632 669 HG LEU 85 HG LEU 85 -10.460 -2.388 -3.515 670 HD11 LEU 85 1HD1 LEU 85 -8.238 -3.340 -3.324 671 HD12 LEU 85 2HD1 LEU 85 -9.583 -4.512 -3.037 672 HD13 LEU 85 3HD1 LEU 85 -8.717 -3.778 -1.673 673 HD21 LEU 85 1HD2 LEU 85 -10.664 -3.353 -0.707 674 HD22 LEU 85 2HD2 LEU 85 -11.720 -3.757 -2.072 675 HD23 LEU 85 3HD2 LEU 85 -11.709 -2.169 -1.401 676 H TYR 86 H TYR 86 -9.018 -1.798 1.649 677 HA TYR 86 HA TYR 86 -11.573 -1.403 2.242 678 HB2 TYR 86 2HB TYR 86 -9.177 -1.664 3.313 679 HB3 TYR 86 1HB TYR 86 -10.094 -0.844 4.533 680 HD1 TYR 86 1HD TYR 86 -10.998 -2.539 6.065 681 HD2 TYR 86 2HD TYR 86 -10.328 -3.485 1.986 682 HE1 TYR 86 1HE TYR 86 -11.837 -4.789 6.447 683 HE2 TYR 86 2HE TYR 86 -11.075 -5.503 2.226 684 HH TYR 86 HH TYR 86 -11.416 -7.284 4.197 685 H GLY 87 H GLY 87 -9.160 0.709 1.609 686 HA2 GLY 87 1HA GLY 87 -10.535 3.052 1.365 687 HA3 GLY 87 2HA GLY 87 -9.567 3.254 2.843 688 H VAL 88 H VAL 88 -9.773 2.290 -0.491 689 HA VAL 88 HA VAL 88 -7.396 3.829 -0.837 690 HB VAL 88 HB VAL 88 -7.885 1.192 -2.203 691 HG11 VAL 88 1HG1 VAL 88 -5.663 1.577 -3.223 692 HG12 VAL 88 2HG1 VAL 88 -5.583 3.161 -2.454 693 HG13 VAL 88 3HG1 VAL 88 -6.798 2.845 -3.701 694 HG21 VAL 88 1HG2 VAL 88 -7.209 1.267 0.070 695 HG22 VAL 88 2HG2 VAL 88 -5.708 2.073 -0.412 696 HG23 VAL 88 3HG2 VAL 88 -6.086 0.391 -0.976 697 H LYS 89 H LYS 89 -7.969 5.167 -2.531 698 HA LYS 89 HA LYS 89 -8.145 4.467 -5.051 699 HB2 LYS 89 1HB LYS 89 -10.426 3.693 -5.072 700 HB3 LYS 89 2HB LYS 89 -11.051 5.085 -4.231 701 HG2 LYS 89 1HG LYS 89 -10.773 6.462 -6.159 702 HG3 LYS 89 2HG LYS 89 -9.783 5.251 -6.956 703 HD2 LYS 89 1HD LYS 89 -12.076 5.414 -7.899 704 HD3 LYS 89 2HD LYS 89 -11.705 3.817 -7.276 705 HE2 LYS 89 1HE LYS 89 -13.180 5.829 -5.600 706 HE3 LYS 89 2HE LYS 89 -14.031 4.866 -6.803 707 HZ1 LYS 89 1HZ LYS 89 -13.283 2.858 -5.666 708 HZ2 LYS 89 2HZ LYS 89 -14.121 3.819 -4.594 709 HZ3 LYS 89 3HZ LYS 89 -12.453 3.735 -4.520 710 HA PRO 90 HA PRO 90 -7.684 9.056 -4.436 711 HB2 PRO 90 2HB PRO 90 -8.889 9.700 -1.970 712 HB3 PRO 90 1HB PRO 90 -9.330 10.440 -3.544 713 HG2 PRO 90 2HG PRO 90 -11.088 8.983 -2.160 714 HG3 PRO 90 1HG PRO 90 -10.983 8.841 -3.930 715 HD2 PRO 90 2HD PRO 90 -9.763 7.075 -1.856 716 HD3 PRO 90 1HD PRO 90 -10.723 6.645 -3.289 717 H GLY 91 H GLY 91 -7.331 10.314 -1.832 718 HA2 GLY 91 1HA GLY 91 -5.191 9.100 -1.284 719 HA3 GLY 91 2HA GLY 91 -5.448 10.598 -0.417 720 H ALA 92 H ALA 92 -7.050 8.089 -0.685 721 HA ALA 92 HA ALA 92 -7.799 7.026 1.867 722 HB1 ALA 92 1HB ALA 92 -7.671 5.923 -0.838 723 HB2 ALA 92 2HB ALA 92 -9.044 6.687 -0.060 724 HB3 ALA 92 3HB ALA 92 -8.479 5.046 0.464 725 H THR 93 H THR 93 -5.465 6.259 -0.283 726 HA THR 93 HA THR 93 -4.027 4.223 0.615 727 HB THR 93 HB THR 93 -3.269 5.411 -1.173 728 HG1 THR 93 1HG THR 93 -1.651 4.788 0.533 729 HG21 THR 93 1HG2 THR 93 -2.589 7.831 -1.053 730 HG22 THR 93 2HG2 THR 93 -3.388 7.864 0.509 731 HG23 THR 93 3HG2 THR 93 -4.279 7.373 -0.908 732 H ARG 94 H ARG 94 -4.171 7.450 1.967 733 HA ARG 94 HA ARG 94 -3.263 8.505 3.683 734 HB2 ARG 94 1HB ARG 94 -3.693 5.803 4.780 735 HB3 ARG 94 2HB ARG 94 -2.658 7.045 5.549 736 HG2 ARG 94 1HG ARG 94 -4.805 7.251 6.634 737 HG3 ARG 94 2HG ARG 94 -4.796 8.522 5.422 738 HD2 ARG 94 1HD ARG 94 -6.256 7.086 3.931 739 HD3 ARG 94 2HD ARG 94 -6.065 5.816 5.115 740 HE ARG 94 HE ARG 94 -7.066 7.885 6.574 741 HH11 ARG 94 1HH1 ARG 94 -8.133 5.973 3.833 742 HH12 ARG 94 2HH1 ARG 94 -9.808 6.193 4.130 743 HH21 ARG 94 1HH2 ARG 94 -9.185 8.126 7.099 744 HH22 ARG 94 2HH2 ARG 94 -10.472 7.527 6.145 745 H VAL 95 H VAL 95 -1.319 6.715 1.749 746 HA VAL 95 HA VAL 95 0.886 7.505 3.268 747 HB VAL 95 HB VAL 95 1.953 5.571 3.564 748 HG11 VAL 95 1HG1 VAL 95 -0.093 5.468 4.490 749 HG12 VAL 95 2HG1 VAL 95 0.437 3.822 4.189 750 HG13 VAL 95 3HG1 VAL 95 -0.794 4.670 3.099 751 HG21 VAL 95 1HG2 VAL 95 0.685 4.452 1.086 752 HG22 VAL 95 2HG2 VAL 95 2.035 3.788 2.092 753 HG23 VAL 95 3HG2 VAL 95 2.203 5.367 1.263 754 H ASP 96 H ASP 96 2.408 7.805 2.374 755 HA ASP 96 HA ASP 96 3.178 7.581 -0.506 756 HB2 ASP 96 1HB ASP 96 1.970 9.827 0.264 757 HB3 ASP 96 2HB ASP 96 3.436 10.028 1.210 758 H LEU 97 H LEU 97 3.911 5.980 1.403 759 HA LEU 97 HA LEU 97 5.004 5.256 2.779 760 HB2 LEU 97 1HB LEU 97 7.533 5.635 1.329 761 HB3 LEU 97 2HB LEU 97 6.783 4.527 2.294 762 HG LEU 97 HG LEU 97 4.995 4.975 0.305 763 HD11 LEU 97 1HD1 LEU 97 6.527 4.255 -1.568 764 HD12 LEU 97 2HD1 LEU 97 7.747 4.027 -0.391 765 HD13 LEU 97 3HD1 LEU 97 7.275 5.697 -0.821 766 HD21 LEU 97 1HD2 LEU 97 5.320 3.104 1.745 767 HD22 LEU 97 2HD2 LEU 97 7.007 3.295 1.040 768 HD23 LEU 97 3HD2 LEU 97 5.642 2.748 -0.033 769 H ASP 98 H ASP 98 5.537 8.473 2.910 770 HA ASP 98 HA ASP 98 6.772 8.449 5.457 771 HB2 ASP 98 1HB ASP 98 5.642 10.378 3.484 772 HB3 ASP 98 2HB ASP 98 5.814 10.987 5.100 773 H GLY 99 H GLY 99 3.906 8.233 3.794 774 HA2 GLY 99 1HA GLY 99 2.024 7.173 4.687 775 HA3 GLY 99 2HA GLY 99 2.385 7.688 6.183 776 H ASN 100 H ASN 100 2.163 9.728 3.230 777 HA ASN 100 HA ASN 100 0.149 11.692 4.098 778 HB2 ASN 100 1HB ASN 100 2.300 11.112 2.178 779 HB3 ASN 100 2HB ASN 100 1.220 12.257 1.604 780 HD21 ASN 100 1HD2 ASN 100 4.001 13.734 2.964 781 HD22 ASN 100 2HD2 ASN 100 3.813 12.482 1.804 782 HA PRO 101 HA PRO 101 -2.648 9.065 1.910 783 HB2 PRO 101 2HB PRO 101 -4.108 11.510 1.110 784 HB3 PRO 101 1HB PRO 101 -4.486 10.182 2.156 785 HG2 PRO 101 2HG PRO 101 -3.879 12.582 3.266 786 HG3 PRO 101 1HG PRO 101 -3.140 11.104 3.991 787 HD2 PRO 101 2HD PRO 101 -2.253 12.564 1.724 788 HD3 PRO 101 1HD PRO 101 -1.261 12.780 3.045 789 H CYS 102 H CYS 102 -0.766 8.914 0.335 790 HA CYS 102 HA CYS 102 0.521 9.541 -1.426 791 HB2 CYS 102 2HB CYS 102 -0.536 8.379 -2.986 792 HB3 CYS 102 1HB CYS 102 -2.141 8.753 -2.596 793 HG CYS 102 HG CYS 102 -2.547 10.120 -4.604 794 H GLY 103 H GLY 103 -0.937 11.444 0.147 795 HA2 GLY 103 1HA GLY 103 -0.634 13.728 0.809 796 HA3 GLY 103 2HA GLY 103 0.356 13.871 -0.630 797 H GLU 104 H GLU 104 -2.253 12.448 -1.249 798 HA GLU 104 HA GLU 104 -3.312 14.401 -2.996 799 HB2 GLU 104 1HB GLU 104 -3.438 12.404 -4.123 800 HB3 GLU 104 2HB GLU 104 -3.147 11.617 -2.566 801 HG2 GLU 104 1HG GLU 104 -5.108 11.246 -2.052 802 HG3 GLU 104 2HG GLU 104 -5.870 12.432 -3.172 803 H LEU 105 H LEU 105 -4.520 12.641 -0.034 804 HA LEU 105 HA LEU 105 -6.737 14.555 -0.081 805 HB2 LEU 105 1HB LEU 105 -7.200 12.050 -1.086 806 HB3 LEU 105 2HB LEU 105 -7.122 11.735 0.518 807 HG LEU 105 HG LEU 105 -8.950 13.983 -0.070 808 HD11 LEU 105 1HD1 LEU 105 -9.092 11.327 -1.070 809 HD12 LEU 105 2HD1 LEU 105 -10.010 12.768 -1.640 810 HD13 LEU 105 3HD1 LEU 105 -10.548 11.803 -0.173 811 HD21 LEU 105 1HD2 LEU 105 -8.123 12.441 1.835 812 HD22 LEU 105 2HD2 LEU 105 -9.823 11.829 1.547 813 HD23 LEU 105 3HD2 LEU 105 -9.427 13.546 1.856 814 H ASP 106 H ASP 106 -7.822 14.646 1.745 815 HA ASP 106 HA ASP 106 -6.636 14.847 4.371 816 HB2 ASP 106 1HB ASP 106 -8.408 16.443 3.670 817 HB3 ASP 106 2HB ASP 106 -9.182 15.201 2.781 818 H GLU 107 H GLU 107 -8.867 13.592 5.508 819 HA GLU 107 HA GLU 107 -9.022 10.894 4.353 820 HB2 GLU 107 1HB GLU 107 -8.110 9.808 6.112 821 HB3 GLU 107 2HB GLU 107 -7.531 11.486 6.337 822 HG2 GLU 107 1HG GLU 107 -9.045 11.998 7.903 823 HG3 GLU 107 2HG GLU 107 -10.036 10.609 7.561 824 H GLN 108 H GLN 108 -10.727 13.349 5.139 825 HA GLN 108 HA GLN 108 -13.177 11.842 5.704 826 HB2 GLN 108 1HB GLN 108 -12.362 13.918 7.113 827 HB3 GLN 108 2HB GLN 108 -12.783 14.731 5.599 828 HG2 GLN 108 1HG GLN 108 -14.992 14.101 5.710 829 HG3 GLN 108 2HG GLN 108 -14.577 12.846 6.896 830 HE21 GLN 108 1HE2 GLN 108 -14.215 16.551 8.525 831 HE22 GLN 108 2HE2 GLN 108 -13.252 16.032 7.183 832 H HIS 109 H HIS 109 -11.190 12.473 3.365 833 HA HIS 109 HA HIS 109 -13.601 12.192 1.835 834 HB2 HIS 109 1HB HIS 109 -11.050 13.145 1.174 835 HB3 HIS 109 2HB HIS 109 -12.347 13.247 -0.075 836 HD1 HIS 109 HD1 HIS 109 -14.259 14.647 2.378 837 HD2 HIS 109 HD2 HIS 109 -10.617 16.027 0.923 838 HE1 HIS 109 HE1 HIS 109 -14.185 17.075 2.955 839 HE2 HIS 109 HE2 HIS 109 -11.796 17.657 2.523 840 H VAL 110 H VAL 110 -10.785 10.999 2.670 841 HA VAL 110 HA VAL 110 -11.343 9.188 0.748 842 HB VAL 110 HB VAL 110 -9.402 7.781 1.657 843 HG11 VAL 110 1HG1 VAL 110 -9.741 9.020 -0.350 844 HG12 VAL 110 2HG1 VAL 110 -8.067 9.433 0.183 845 HG13 VAL 110 3HG1 VAL 110 -9.457 10.487 0.558 846 HG21 VAL 110 1HG2 VAL 110 -8.966 10.511 2.614 847 HG22 VAL 110 2HG2 VAL 110 -7.725 9.226 2.672 848 HG23 VAL 110 3HG2 VAL 110 -9.187 9.126 3.704 849 H GLU 111 H GLU 111 -12.309 9.914 3.042 850 HA GLU 111 HA GLU 111 -13.221 8.008 4.921 851 HB2 GLU 111 1HB GLU 111 -13.375 10.238 5.179 852 HB3 GLU 111 2HB GLU 111 -14.191 10.804 4.078 853 HG2 GLU 111 1HG GLU 111 -15.270 8.582 5.553 854 HG3 GLU 111 2HG GLU 111 -15.556 10.222 6.235 855 H HIS 112 H HIS 112 -14.194 9.102 1.826 856 HA HIS 112 HA HIS 112 -16.348 7.275 1.682 857 HB2 HIS 112 1HB HIS 112 -14.862 8.829 -0.218 858 HB3 HIS 112 2HB HIS 112 -16.392 8.073 -0.750 859 HD1 HIS 112 HD1 HIS 112 -18.536 9.512 -0.269 860 HD2 HIS 112 HD2 HIS 112 -15.168 10.959 1.654 861 HE1 HIS 112 HE1 HIS 112 -19.281 11.606 0.925 862 HE2 HIS 112 HE2 HIS 112 -17.336 11.884 2.500 863 H ALA 113 H ALA 113 -13.135 7.139 1.172 864 HA ALA 113 HA ALA 113 -13.294 5.008 -0.547 865 HB1 ALA 113 1HB ALA 113 -11.118 5.409 -0.814 866 HB2 ALA 113 2HB ALA 113 -11.044 5.559 0.968 867 HB3 ALA 113 3HB ALA 113 -11.684 6.949 0.008 868 H ARG 114 H ARG 114 -12.831 5.793 2.658 869 HA ARG 114 HA ARG 114 -11.917 3.468 3.589 870 HB2 ARG 114 1HB ARG 114 -12.191 5.862 4.725 871 HB3 ARG 114 2HB ARG 114 -13.730 5.248 5.198 872 HG2 ARG 114 1HG ARG 114 -11.424 3.550 5.982 873 HG3 ARG 114 2HG ARG 114 -11.584 5.095 6.798 874 HD2 ARG 114 1HD ARG 114 -12.658 3.403 8.137 875 HD3 ARG 114 2HD ARG 114 -13.909 4.431 7.457 876 HE ARG 114 HE ARG 114 -13.579 2.275 5.752 877 HH11 ARG 114 1HH1 ARG 114 -14.696 2.726 9.104 878 HH12 ARG 114 2HH1 ARG 114 -15.778 1.403 9.009 879 HH21 ARG 114 1HH2 ARG 114 -15.033 0.553 5.692 880 HH22 ARG 114 2HH2 ARG 114 -15.998 0.135 7.038 881 H LYS 115 H LYS 115 -15.070 4.691 2.442 882 HA LYS 115 HA LYS 115 -16.483 2.762 3.891 883 HB2 LYS 115 1HB LYS 115 -18.096 4.245 3.948 884 HB3 LYS 115 2HB LYS 115 -16.771 5.404 3.565 885 HG2 LYS 115 1HG LYS 115 -17.533 5.990 1.694 886 HG3 LYS 115 2HG LYS 115 -17.834 4.321 1.234 887 HD2 LYS 115 1HD LYS 115 -19.896 5.861 1.419 888 HD3 LYS 115 2HD LYS 115 -19.978 4.389 2.395 889 HE2 LYS 115 1HE LYS 115 -20.527 5.972 4.076 890 HE3 LYS 115 2HE LYS 115 -18.744 5.872 4.077 891 HZ1 LYS 115 1HZ LYS 115 -18.435 7.871 3.219 892 HZ2 LYS 115 2HZ LYS 115 -19.757 8.140 4.157 893 HZ3 LYS 115 3HZ LYS 115 -19.963 7.955 2.473 894 H GLN 116 H GLN 116 -15.241 3.646 0.671 895 HA GLN 116 HA GLN 116 -17.179 2.347 -0.400 896 HB2 GLN 116 1HB GLN 116 -15.706 2.042 -2.520 897 HB3 GLN 116 2HB GLN 116 -16.049 3.660 -1.911 898 HG2 GLN 116 1HG GLN 116 -13.892 3.902 -2.077 899 HG3 GLN 116 2HG GLN 116 -13.969 3.101 -0.479 900 HE21 GLN 116 1HE2 GLN 116 -12.421 0.130 -1.748 901 HE22 GLN 116 2HE2 GLN 116 -13.510 0.713 -0.566 902 H LEU 117 H LEU 117 -14.690 0.883 1.274 903 HA LEU 117 HA LEU 117 -15.249 -1.734 0.440 904 HB2 LEU 117 1HB LEU 117 -13.274 -0.224 1.059 905 HB3 LEU 117 2HB LEU 117 -13.309 -1.199 2.453 906 HG LEU 117 HG LEU 117 -12.242 -1.759 0.450 907 HD11 LEU 117 1HD1 LEU 117 -12.848 -4.353 0.743 908 HD12 LEU 117 2HD1 LEU 117 -14.257 -3.695 1.600 909 HD13 LEU 117 3HD1 LEU 117 -12.592 -3.337 2.152 910 HD21 LEU 117 1HD2 LEU 117 -13.881 -1.315 -1.294 911 HD22 LEU 117 2HD2 LEU 117 -14.861 -2.739 -0.855 912 HD23 LEU 117 3HD2 LEU 117 -13.328 -2.945 -1.456 913 H GLU 118 H GLU 118 -16.721 0.447 2.482 914 HA GLU 118 HA GLU 118 -17.590 -1.738 3.963 915 HB2 GLU 118 1HB GLU 118 -16.967 0.524 5.072 916 HB3 GLU 118 2HB GLU 118 -18.376 1.184 4.263 917 HG2 GLU 118 1HG GLU 118 -18.958 0.761 6.540 918 HG3 GLU 118 2HG GLU 118 -19.780 -0.445 5.549 919 H GLU 119 H GLU 119 -17.832 -0.677 1.157 920 HA GLU 119 HA GLU 119 -20.630 -0.691 0.862 921 HB2 GLU 119 1HB GLU 119 -18.392 -0.245 -1.069 922 HB3 GLU 119 2HB GLU 119 -20.102 -0.233 -1.591 923 HG2 GLU 119 1HG GLU 119 -18.806 1.249 0.445 924 HG3 GLU 119 2HG GLU 119 -19.000 1.988 -1.184 925 H ALA 120 H ALA 120 -17.494 -2.105 -0.097 926 HA ALA 120 HA ALA 120 -18.593 -4.314 -1.381 927 HB1 ALA 120 1HB ALA 120 -16.393 -4.940 -1.688 928 HB2 ALA 120 2HB ALA 120 -15.948 -4.001 -0.227 929 HB3 ALA 120 3HB ALA 120 -16.478 -3.170 -1.689 930 H LYS 121 H LYS 121 -17.300 -3.943 1.683 931 HA LYS 121 HA LYS 121 -17.632 -6.468 2.738 932 HB2 LYS 121 1HB LYS 121 -17.286 -3.776 3.457 933 HB3 LYS 121 2HB LYS 121 -17.969 -4.805 4.789 934 HG2 LYS 121 1HG LYS 121 -16.216 -6.129 4.353 935 HG3 LYS 121 2HG LYS 121 -15.698 -5.154 3.018 936 HD2 LYS 121 1HD LYS 121 -14.388 -4.646 5.276 937 HD3 LYS 121 2HD LYS 121 -15.053 -3.539 4.032 938 HE2 LYS 121 1HE LYS 121 -15.509 -2.605 6.257 939 HE3 LYS 121 2HE LYS 121 -16.878 -3.063 5.226 940 HZ1 LYS 121 1HZ LYS 121 -17.230 -5.028 6.609 941 HZ2 LYS 121 2HZ LYS 121 -17.417 -3.535 7.306 942 HZ3 LYS 121 3HZ LYS 121 -16.037 -4.440 7.717 943 H ALA 122 H ALA 122 -19.572 -3.917 3.160 944 HA ALA 122 HA ALA 122 -21.618 -5.117 4.265 945 HB1 ALA 122 1HB ALA 122 -21.758 -2.948 2.399 946 HB2 ALA 122 2HB ALA 122 -21.057 -2.913 4.031 947 HB3 ALA 122 3HB ALA 122 -22.838 -3.222 3.816 948 H ARG 123 H ARG 123 -20.637 -5.420 0.901 949 HA ARG 123 HA ARG 123 -23.209 -5.910 0.055 950 HB2 ARG 123 1HB ARG 123 -22.351 -5.247 -1.939 951 HB3 ARG 123 2HB ARG 123 -20.839 -5.055 -0.997 952 HG2 ARG 123 1HG ARG 123 -20.410 -7.384 -1.413 953 HG3 ARG 123 2HG ARG 123 -21.657 -7.407 -2.690 954 HD2 ARG 123 1HD ARG 123 -20.330 -5.398 -3.650 955 HD3 ARG 123 2HD ARG 123 -19.141 -5.908 -2.420 956 HE ARG 123 HE ARG 123 -19.926 -7.439 -4.802 957 HH11 ARG 123 1HH1 ARG 123 -17.627 -7.005 -2.095 958 HH12 ARG 123 2HH1 ARG 123 -16.611 -8.273 -2.684 959 HH21 ARG 123 1HH2 ARG 123 -18.309 -9.134 -5.529 960 HH22 ARG 123 2HH2 ARG 123 -16.965 -9.368 -4.481 961 H VAL 124 H VAL 124 -20.591 -7.210 1.249 962 HA VAL 124 HA VAL 124 -20.626 -9.697 -0.136 963 HB VAL 124 HB VAL 124 -18.946 -8.707 2.046 964 HG11 VAL 124 1HG1 VAL 124 -17.430 -10.642 1.480 965 HG12 VAL 124 2HG1 VAL 124 -18.820 -11.198 0.463 966 HG13 VAL 124 3HG1 VAL 124 -19.016 -10.998 2.225 967 HG21 VAL 124 1HG2 VAL 124 -17.170 -8.635 0.377 968 HG22 VAL 124 2HG2 VAL 124 -18.580 -7.588 0.156 969 HG23 VAL 124 3HG2 VAL 124 -18.407 -9.039 -0.849 970 H GLN 125 H GLN 125 -20.502 -8.522 2.770 971 HA GLN 125 HA GLN 125 -20.918 -9.005 4.852 972 HB2 GLN 125 1HB GLN 125 -21.945 -8.038 3.221 973 HB3 GLN 125 2HB GLN 125 -22.177 -7.385 4.349 974 HG2 GLN 125 1HG GLN 125 -24.160 -7.534 2.838 975 HG3 GLN 125 2HG GLN 125 -23.494 -9.133 2.411 976 HE21 GLN 125 1HE2 GLN 125 -25.852 -9.425 5.692 977 HE22 GLN 125 2HE2 GLN 125 -24.417 -8.453 5.686 978 H ALA 126 H ALA 126 -22.951 -11.153 2.956 979 HA ALA 126 HA ALA 126 -23.780 -12.525 5.125 980 HB1 ALA 126 1HB ALA 126 -24.840 -11.646 3.030 981 HB2 ALA 126 2HB ALA 126 -25.431 -13.050 3.956 982 HB3 ALA 126 3HB ALA 126 -24.534 -13.305 2.416 983 H GLN 127 H GLN 127 -22.714 -13.707 1.751 984 HA GLN 127 HA GLN 127 -21.362 -15.785 2.830 985 HB2 GLN 127 1HB GLN 127 -23.079 -15.011 0.800 986 HB3 GLN 127 2HB GLN 127 -21.574 -15.480 0.084 987 HG2 GLN 127 1HG GLN 127 -23.297 -16.831 2.011 988 HG3 GLN 127 2HG GLN 127 -23.182 -17.364 0.317 989 HE21 GLN 127 1HE2 GLN 127 -21.097 -19.571 2.589 990 HE22 GLN 127 2HE2 GLN 127 -22.745 -19.051 2.615 991 H ARG 128 H ARG 128 -19.206 -15.586 2.894 992 HA ARG 128 HA ARG 128 -17.767 -13.663 1.964 993 HB2 ARG 128 1HB ARG 128 -17.089 -16.430 2.701 994 HB3 ARG 128 2HB ARG 128 -16.010 -15.376 1.750 995 HG2 ARG 128 1HG ARG 128 -17.211 -14.297 4.179 996 HG3 ARG 128 2HG ARG 128 -15.736 -15.315 4.360 997 HD2 ARG 128 1HD ARG 128 -16.292 -12.850 2.837 998 HD3 ARG 128 2HD ARG 128 -15.154 -12.969 4.187 999 HE ARG 128 HE ARG 128 -13.873 -14.532 2.608 1000 HH11 ARG 128 1HH1 ARG 128 -15.711 -11.734 1.357 1001 HH12 ARG 128 2HH1 ARG 128 -14.863 -11.703 -0.120 1002 HH21 ARG 128 1HH2 ARG 128 -12.718 -14.393 0.557 1003 HH22 ARG 128 2HH2 ARG 128 -13.127 -13.189 -0.549 1004 H ALA 129 H ALA 129 -18.985 -16.350 0.244 1005 HA ALA 129 HA ALA 129 -17.323 -16.599 -1.794 1006 HB1 ALA 129 1HB ALA 129 -20.261 -16.961 -1.858 1007 HB2 ALA 129 2HB ALA 129 -18.927 -18.096 -1.406 1008 HB3 ALA 129 3HB ALA 129 -19.030 -17.463 -3.058 1009 H GLU 130 H GLU 130 -16.629 -15.109 -3.057 1010 HA GLU 130 HA GLU 130 -17.990 -13.832 -4.928 1011 HB2 GLU 130 1HB GLU 130 -17.654 -11.352 -4.290 1012 HB3 GLU 130 2HB GLU 130 -18.930 -12.192 -3.448 1013 HG2 GLU 130 1HG GLU 130 -17.972 -10.988 -1.712 1014 HG3 GLU 130 2HG GLU 130 -17.099 -12.517 -1.624 1015 H GLN 131 H GLN 131 -15.218 -13.056 -2.916 1016 HA GLN 131 HA GLN 131 -13.593 -13.889 -5.186 1017 HB2 GLN 131 1HB GLN 131 -13.338 -11.435 -4.750 1018 HB3 GLN 131 2HB GLN 131 -12.866 -11.803 -3.098 1019 HG2 GLN 131 1HG GLN 131 -10.879 -12.943 -3.888 1020 HG3 GLN 131 2HG GLN 131 -11.368 -12.679 -5.558 1021 HE21 GLN 131 1HE2 GLN 131 -10.549 -9.188 -3.697 1022 HE22 GLN 131 2HE2 GLN 131 -11.780 -10.246 -3.081 1023 H GLN 132 H GLN 132 -13.772 -15.925 -4.438 1024 HA GLN 132 HA GLN 132 -12.500 -16.536 -1.917 1025 HB2 GLN 132 1HB GLN 132 -15.108 -17.383 -2.972 1026 HB3 GLN 132 2HB GLN 132 -14.037 -18.574 -2.177 1027 HG2 GLN 132 1HG GLN 132 -15.020 -16.006 -1.007 1028 HG3 GLN 132 2HG GLN 132 -15.682 -17.599 -0.646 1029 HE21 GLN 132 1HE2 GLN 132 -12.973 -18.614 1.375 1030 HE22 GLN 132 2HE2 GLN 132 -14.270 -19.149 0.389 1031 H ALA 133 H ALA 133 -12.025 -19.018 -1.873 1032 HA ALA 133 HA ALA 133 -11.402 -20.230 -4.320 1033 HB1 ALA 133 1HB ALA 133 -9.073 -20.612 -3.531 1034 HB2 ALA 133 2HB ALA 133 -9.329 -19.409 -2.257 1035 HB3 ALA 133 3HB ALA 133 -9.376 -18.930 -3.961 Start of MODEL 13 1 H1 MET 1 1H MET 1 24.770 -20.836 15.588 2 H2 MET 1 2H MET 1 24.538 -19.785 14.260 3 H3 MET 1 3H MET 1 24.442 -19.174 15.811 4 HA MET 1 HA MET 1 26.783 -19.562 16.147 5 HB2 MET 1 1HB MET 1 26.505 -21.410 14.134 6 HB3 MET 1 2HB MET 1 27.052 -20.040 13.188 7 HG2 MET 1 1HG MET 1 28.555 -21.284 15.500 8 HG3 MET 1 2HG MET 1 28.875 -21.583 13.799 9 HE1 MET 1 1HE MET 1 32.003 -19.520 14.985 10 HE2 MET 1 2HE MET 1 31.453 -21.012 14.223 11 HE3 MET 1 3HE MET 1 31.105 -20.712 15.925 12 H GLY 2 H GLY 2 28.300 -18.127 14.129 13 HA2 GLY 2 1HA GLY 2 27.173 -15.549 14.239 14 HA3 GLY 2 2HA GLY 2 28.514 -16.043 13.203 15 H SER 3 H SER 3 27.642 -17.729 11.517 16 HA SER 3 HA SER 3 26.689 -18.007 9.542 17 HB2 SER 3 1HB SER 3 24.152 -17.645 11.144 18 HB3 SER 3 2HB SER 3 24.327 -18.562 9.645 19 HG SER 3 HG SER 3 25.303 -20.125 10.668 20 H SER 4 H SER 4 23.967 -15.877 10.371 21 HA SER 4 HA SER 4 24.248 -14.558 7.862 22 HB2 SER 4 1HB SER 4 22.172 -13.383 8.688 23 HB3 SER 4 2HB SER 4 22.054 -15.144 8.604 24 HG SER 4 HG SER 4 21.434 -14.926 10.587 25 H HIS 5 H HIS 5 25.279 -14.062 11.043 26 HA HIS 5 HA HIS 5 26.588 -12.549 12.069 27 HB2 HIS 5 1HB HIS 5 26.774 -11.281 9.327 28 HB3 HIS 5 2HB HIS 5 27.604 -10.627 10.728 29 HD1 HIS 5 HD1 HIS 5 27.555 -13.844 8.605 30 HD2 HIS 5 HD2 HIS 5 30.048 -11.760 11.225 31 HE1 HIS 5 HE1 HIS 5 29.756 -14.974 8.468 32 HE2 HIS 5 HE2 HIS 5 31.302 -13.564 9.861 33 H HIS 6 H HIS 6 24.164 -11.085 10.070 34 HA HIS 6 HA HIS 6 23.978 -8.667 11.569 35 HB2 HIS 6 1HB HIS 6 22.118 -9.805 9.482 36 HB3 HIS 6 2HB HIS 6 21.949 -8.208 10.196 37 HD1 HIS 6 HD1 HIS 6 23.578 -9.987 7.453 38 HD2 HIS 6 HD2 HIS 6 24.227 -6.460 9.571 39 HE1 HIS 6 HE1 HIS 6 25.138 -8.627 6.035 40 HE2 HIS 6 HE2 HIS 6 25.433 -6.459 7.284 41 H HIS 7 H HIS 7 21.896 -11.613 11.499 42 HA HIS 7 HA HIS 7 20.205 -10.233 13.356 43 HB2 HIS 7 1HB HIS 7 19.130 -11.642 11.589 44 HB3 HIS 7 2HB HIS 7 19.757 -13.072 12.407 45 HD1 HIS 7 HD1 HIS 7 17.931 -10.006 13.790 46 HD2 HIS 7 HD2 HIS 7 17.577 -14.149 13.726 47 HE1 HIS 7 HE1 HIS 7 15.988 -10.531 15.252 48 HE2 HIS 7 HE2 HIS 7 15.502 -12.837 14.703 49 H HIS 8 H HIS 8 21.793 -9.983 14.800 50 HA HIS 8 HA HIS 8 21.529 -12.030 16.901 51 HB2 HIS 8 1HB HIS 8 23.941 -10.256 16.356 52 HB3 HIS 8 2HB HIS 8 23.724 -11.163 17.850 53 HD1 HIS 8 HD1 HIS 8 25.118 -11.454 14.504 54 HD2 HIS 8 HD2 HIS 8 23.597 -14.075 17.357 55 HE1 HIS 8 HE1 HIS 8 25.946 -13.717 13.852 56 HE2 HIS 8 HE2 HIS 8 24.779 -15.294 15.401 57 H HIS 9 H HIS 9 20.357 -9.484 15.770 58 HA HIS 9 HA HIS 9 19.333 -8.417 18.190 59 HB2 HIS 9 1HB HIS 9 20.823 -6.634 16.196 60 HB3 HIS 9 2HB HIS 9 19.733 -6.033 17.430 61 HD1 HIS 9 HD1 HIS 9 23.199 -6.370 16.784 62 HD2 HIS 9 HD2 HIS 9 20.827 -6.889 20.164 63 HE1 HIS 9 HE1 HIS 9 24.771 -6.226 18.741 64 HE2 HIS 9 HE2 HIS 9 23.341 -6.774 20.740 65 H HIS 10 H HIS 10 17.356 -7.282 17.569 66 HA HIS 10 HA HIS 10 16.386 -8.154 14.968 67 HB2 HIS 10 1HB HIS 10 14.942 -8.657 16.879 68 HB3 HIS 10 2HB HIS 10 15.010 -6.995 17.423 69 HD1 HIS 10 HD1 HIS 10 13.242 -9.215 14.779 70 HD2 HIS 10 HD2 HIS 10 13.128 -5.304 16.276 71 HE1 HIS 10 HE1 HIS 10 11.127 -8.259 14.040 72 HE2 HIS 10 HE2 HIS 10 11.261 -5.853 14.592 73 H SER 11 H SER 11 15.900 -6.715 13.353 74 HA SER 11 HA SER 11 16.937 -3.964 13.541 75 HB2 SER 11 1HB SER 11 16.540 -4.111 11.128 76 HB3 SER 11 2HB SER 11 17.616 -5.345 11.700 77 HG SER 11 HG SER 11 14.872 -6.006 11.532 78 H GLN 12 H GLN 12 14.856 -3.343 11.473 79 HA GLN 12 HA GLN 12 13.337 -2.181 13.637 80 HB2 GLN 12 1HB GLN 12 14.403 -0.855 11.161 81 HB3 GLN 12 2HB GLN 12 13.450 -0.085 12.439 82 HG2 GLN 12 1HG GLN 12 15.140 -0.397 14.052 83 HG3 GLN 12 2HG GLN 12 16.062 -1.498 13.034 84 HE21 GLN 12 1HE2 GLN 12 18.072 1.321 12.462 85 HE22 GLN 12 2HE2 GLN 12 17.925 -0.238 13.210 86 H ASP 13 H ASP 13 12.840 -4.422 12.011 87 HA ASP 13 HA ASP 13 10.624 -3.828 10.436 88 HB2 ASP 13 1HB ASP 13 10.699 -6.243 10.493 89 HB3 ASP 13 2HB ASP 13 12.091 -5.559 9.625 90 HA PRO 14 HA PRO 14 8.054 -4.375 13.896 91 HB2 PRO 14 2HB PRO 14 5.949 -5.828 12.553 92 HB3 PRO 14 1HB PRO 14 6.041 -4.089 12.895 93 HG2 PRO 14 2HG PRO 14 6.178 -5.097 10.370 94 HG3 PRO 14 1HG PRO 14 6.928 -3.566 10.865 95 HD2 PRO 14 2HD PRO 14 8.193 -6.261 10.574 96 HD3 PRO 14 1HD PRO 14 8.827 -4.699 10.033 97 H MET 15 H MET 15 6.721 -7.546 12.721 98 HA MET 15 HA MET 15 7.231 -8.561 15.170 99 HB2 MET 15 1HB MET 15 6.014 -9.627 12.711 100 HB3 MET 15 2HB MET 15 6.650 -10.864 13.835 101 HG2 MET 15 1HG MET 15 4.761 -8.651 14.170 102 HG3 MET 15 2HG MET 15 4.383 -10.332 13.823 103 HE1 MET 15 1HE MET 15 5.535 -12.166 17.145 104 HE2 MET 15 2HE MET 15 6.487 -11.904 15.687 105 HE3 MET 15 3HE MET 15 4.785 -12.353 15.560 106 H GLU 16 H GLU 16 8.522 -9.546 12.075 107 HA GLU 16 HA GLU 16 11.241 -9.743 12.705 108 HB2 GLU 16 1HB GLU 16 10.487 -11.599 14.254 109 HB3 GLU 16 2HB GLU 16 9.864 -12.454 12.856 110 HG2 GLU 16 1HG GLU 16 11.905 -13.490 13.238 111 HG3 GLU 16 2HG GLU 16 12.277 -12.342 11.964 112 H ASN 17 H ASN 17 11.560 -9.050 10.671 113 HA ASN 17 HA ASN 17 11.043 -11.047 8.582 114 HB2 ASN 17 1HB ASN 17 9.672 -8.806 8.255 115 HB3 ASN 17 2HB ASN 17 11.249 -8.192 8.089 116 HD21 ASN 17 1HD2 ASN 17 9.912 -10.491 5.019 117 HD22 ASN 17 2HD2 ASN 17 9.126 -10.560 6.558 118 H GLN 18 H GLN 18 12.887 -11.626 9.406 119 HA GLN 18 HA GLN 18 15.246 -10.164 8.931 120 HB2 GLN 18 1HB GLN 18 14.314 -12.548 10.150 121 HB3 GLN 18 2HB GLN 18 15.963 -12.654 9.766 122 HG2 GLN 18 1HG GLN 18 14.384 -10.993 11.722 123 HG3 GLN 18 2HG GLN 18 15.913 -11.814 12.009 124 HE21 GLN 18 1HE2 GLN 18 15.764 -7.911 10.929 125 HE22 GLN 18 2HE2 GLN 18 14.370 -8.891 11.042 126 HA PRO 19 HA PRO 19 15.841 -13.459 5.395 127 HB2 PRO 19 2HB PRO 19 13.118 -14.667 5.498 128 HB3 PRO 19 1HB PRO 19 14.655 -15.489 5.048 129 HG2 PRO 19 2HG PRO 19 13.487 -15.937 7.339 130 HG3 PRO 19 1HG PRO 19 15.248 -15.718 7.268 131 HD2 PRO 19 2HD PRO 19 13.218 -13.773 8.328 132 HD3 PRO 19 1HD PRO 19 14.869 -14.123 8.787 133 H LYS 20 H LYS 20 15.842 -12.092 3.717 134 HA LYS 20 HA LYS 20 14.067 -10.312 3.070 135 HB2 LYS 20 1HB LYS 20 16.331 -11.570 1.764 136 HB3 LYS 20 2HB LYS 20 15.561 -10.062 1.331 137 HG2 LYS 20 1HG LYS 20 16.818 -10.632 3.966 138 HG3 LYS 20 2HG LYS 20 17.528 -9.564 2.741 139 HD2 LYS 20 1HD LYS 20 16.334 -7.815 3.886 140 HD3 LYS 20 2HD LYS 20 15.094 -8.758 3.005 141 HE2 LYS 20 1HE LYS 20 14.106 -9.613 4.714 142 HE3 LYS 20 2HE LYS 20 15.518 -9.815 5.710 143 HZ1 LYS 20 1HZ LYS 20 13.949 -8.262 6.691 144 HZ2 LYS 20 2HZ LYS 20 13.719 -7.378 5.336 145 HZ3 LYS 20 3HZ LYS 20 15.156 -7.239 6.169 146 H LEU 21 H LEU 21 13.818 -9.906 0.708 147 HA LEU 21 HA LEU 21 11.363 -10.429 0.276 148 HB2 LEU 21 1HB LEU 21 13.536 -9.472 -1.433 149 HB3 LEU 21 2HB LEU 21 11.919 -8.986 -1.690 150 HG LEU 21 HG LEU 21 13.982 -8.151 -0.054 151 HD11 LEU 21 1HD1 LEU 21 12.376 -7.209 -1.781 152 HD12 LEU 21 2HD1 LEU 21 13.211 -6.298 -0.430 153 HD13 LEU 21 3HD1 LEU 21 11.543 -6.956 -0.164 154 HD21 LEU 21 1HD2 LEU 21 12.566 -9.117 1.581 155 HD22 LEU 21 2HD2 LEU 21 11.350 -8.004 0.796 156 HD23 LEU 21 3HD2 LEU 21 12.919 -7.337 1.586 157 H ASN 22 H ASN 22 13.537 -11.023 -2.400 158 HA ASN 22 HA ASN 22 13.823 -12.571 -3.870 159 HB2 ASN 22 1HB ASN 22 12.173 -14.494 -2.147 160 HB3 ASN 22 2HB ASN 22 13.282 -14.884 -3.430 161 HD21 ASN 22 1HD2 ASN 22 14.676 -14.285 -0.061 162 HD22 ASN 22 2HD2 ASN 22 13.000 -14.006 -0.386 163 H SER 23 H SER 23 11.595 -10.791 -3.543 164 HA SER 23 HA SER 23 10.479 -9.740 -5.107 165 HB2 SER 23 1HB SER 23 9.945 -10.517 -7.363 166 HB3 SER 23 2HB SER 23 11.516 -11.091 -6.907 167 HG SER 23 HG SER 23 10.461 -13.085 -6.259 168 H SER 24 H SER 24 8.552 -9.012 -5.378 169 HA SER 24 HA SER 24 6.592 -8.539 -4.971 170 HB2 SER 24 1HB SER 24 5.957 -11.449 -5.400 171 HB3 SER 24 2HB SER 24 4.783 -10.131 -5.445 172 HG SER 24 HG SER 24 6.650 -10.901 -7.288 173 H LYS 25 H LYS 25 5.853 -11.577 -3.072 174 HA LYS 25 HA LYS 25 4.222 -10.237 -1.402 175 HB2 LYS 25 1HB LYS 25 4.079 -12.453 -1.936 176 HB3 LYS 25 2HB LYS 25 5.728 -12.751 -1.509 177 HG2 LYS 25 1HG LYS 25 5.383 -13.010 0.493 178 HG3 LYS 25 2HG LYS 25 4.461 -11.522 0.614 179 HD2 LYS 25 1HD LYS 25 3.100 -13.362 1.337 180 HD3 LYS 25 2HD LYS 25 2.627 -12.714 -0.270 181 HE2 LYS 25 1HE LYS 25 2.701 -15.266 -0.299 182 HE3 LYS 25 2HE LYS 25 3.725 -14.290 -1.396 183 HZ1 LYS 25 1HZ LYS 25 4.950 -16.283 -0.221 184 HZ2 LYS 25 2HZ LYS 25 4.950 -15.233 1.139 185 HZ3 LYS 25 3HZ LYS 25 5.670 -14.778 -0.186 186 H GLU 26 H GLU 26 7.171 -11.789 -0.776 187 HA GLU 26 HA GLU 26 7.250 -10.795 1.716 188 HB2 GLU 26 1HB GLU 26 9.358 -12.231 0.162 189 HB3 GLU 26 2HB GLU 26 9.820 -11.537 1.697 190 HG2 GLU 26 1HG GLU 26 9.282 -13.919 1.884 191 HG3 GLU 26 2HG GLU 26 8.213 -12.932 2.858 192 H VAL 27 H VAL 27 7.838 -9.020 -0.958 193 HA VAL 27 HA VAL 27 9.776 -7.172 0.300 194 HB VAL 27 HB VAL 27 10.424 -6.500 -1.630 195 HG11 VAL 27 1HG1 VAL 27 8.610 -8.400 -2.742 196 HG12 VAL 27 2HG1 VAL 27 10.137 -8.720 -1.752 197 HG13 VAL 27 3HG1 VAL 27 10.266 -7.914 -3.382 198 HG21 VAL 27 1HG2 VAL 27 9.053 -5.642 -3.349 199 HG22 VAL 27 2HG2 VAL 27 8.540 -5.211 -1.657 200 HG23 VAL 27 3HG2 VAL 27 7.643 -6.446 -2.563 201 H ILE 28 H ILE 28 6.259 -7.565 -0.108 202 HA ILE 28 HA ILE 28 5.693 -4.970 0.511 203 HB ILE 28 HB ILE 28 4.638 -7.609 1.246 204 HG12 ILE 28 1HG1 ILE 28 3.554 -7.429 -0.917 205 HG13 ILE 28 2HG1 ILE 28 2.818 -6.442 0.194 206 HG21 ILE 28 1HG2 ILE 28 2.543 -6.552 2.170 207 HG22 ILE 28 2HG2 ILE 28 3.234 -4.967 1.926 208 HG23 ILE 28 3HG2 ILE 28 3.996 -6.099 3.065 209 HD11 ILE 28 1HD1 ILE 28 4.998 -5.172 -1.114 210 HD12 ILE 28 2HD1 ILE 28 3.626 -4.384 -0.388 211 HD13 ILE 28 3HD1 ILE 28 3.472 -5.296 -1.969 212 H ALA 29 H ALA 29 6.582 -7.760 2.094 213 HA ALA 29 HA ALA 29 6.532 -6.899 4.569 214 HB1 ALA 29 1HB ALA 29 8.084 -8.746 5.033 215 HB2 ALA 29 2HB ALA 29 8.137 -8.851 3.211 216 HB3 ALA 29 3HB ALA 29 6.609 -9.073 4.067 217 H PHE 30 H PHE 30 9.253 -6.678 2.240 218 HA PHE 30 HA PHE 30 11.059 -5.480 3.938 219 HB2 PHE 30 2HB PHE 30 11.986 -5.969 2.086 220 HB3 PHE 30 1HB PHE 30 10.483 -5.759 1.149 221 HD1 PHE 30 1HD PHE 30 10.432 -4.235 -0.330 222 HD2 PHE 30 2HD PHE 30 12.981 -3.778 2.988 223 HE1 PHE 30 1HE PHE 30 11.248 -2.237 -1.248 224 HE2 PHE 30 2HE PHE 30 13.853 -1.699 2.053 225 HZ PHE 30 HZ PHE 30 12.996 -0.930 -0.069 226 H LEU 31 H LEU 31 8.628 -4.312 1.719 227 HA LEU 31 HA LEU 31 8.975 -1.665 1.891 228 HB2 LEU 31 1HB LEU 31 6.838 -3.531 1.422 229 HB3 LEU 31 2HB LEU 31 6.299 -1.868 1.320 230 HG LEU 31 HG LEU 31 8.213 -3.433 -0.256 231 HD11 LEU 31 1HD1 LEU 31 6.973 -3.008 -1.917 232 HD12 LEU 31 2HD1 LEU 31 6.332 -1.459 -1.388 233 HD13 LEU 31 3HD1 LEU 31 5.715 -3.020 -0.652 234 HD21 LEU 31 1HD2 LEU 31 9.558 -1.733 0.055 235 HD22 LEU 31 2HD2 LEU 31 8.247 -0.539 0.226 236 HD23 LEU 31 3HD2 LEU 31 8.695 -1.154 -1.379 237 H ALA 32 H ALA 32 7.355 -3.826 3.862 238 HA ALA 32 HA ALA 32 6.122 -1.873 5.614 239 HB1 ALA 32 1HB ALA 32 6.515 -4.746 5.883 240 HB2 ALA 32 2HB ALA 32 5.291 -3.953 4.855 241 HB3 ALA 32 3HB ALA 32 5.187 -3.740 6.591 242 H GLU 33 H GLU 33 9.113 -3.616 5.616 243 HA GLU 33 HA GLU 33 9.389 -3.380 8.398 244 HB2 GLU 33 1HB GLU 33 11.328 -4.711 8.136 245 HB3 GLU 33 2HB GLU 33 10.053 -4.892 6.863 246 HG2 GLU 33 1HG GLU 33 11.181 -3.988 5.274 247 HG3 GLU 33 2HG GLU 33 12.241 -3.059 6.255 248 H ARG 34 H ARG 34 9.962 -1.908 5.702 249 HA ARG 34 HA ARG 34 11.892 0.122 6.339 250 HB2 ARG 34 1HB ARG 34 11.251 -1.510 4.375 251 HB3 ARG 34 2HB ARG 34 10.535 -0.162 3.664 252 HG2 ARG 34 1HG ARG 34 12.668 -0.144 2.886 253 HG3 ARG 34 2HG ARG 34 12.665 0.882 4.396 254 HD2 ARG 34 1HD ARG 34 13.675 -0.633 5.701 255 HD3 ARG 34 2HD ARG 34 13.171 -1.930 4.621 256 HE ARG 34 HE ARG 34 15.057 -0.217 3.400 257 HH11 ARG 34 1HH1 ARG 34 14.744 -3.080 5.546 258 HH12 ARG 34 2HH1 ARG 34 16.344 -3.532 5.398 259 HH21 ARG 34 1HH2 ARG 34 17.182 -0.795 3.248 260 HH22 ARG 34 2HH2 ARG 34 17.881 -2.184 3.987 261 H PHE 35 H PHE 35 8.435 -0.068 5.215 262 HA PHE 35 HA PHE 35 8.132 2.678 6.066 263 HB2 PHE 35 2HB PHE 35 7.253 0.822 4.212 264 HB3 PHE 35 1HB PHE 35 6.092 2.041 4.278 265 HD1 PHE 35 1HD PHE 35 8.042 0.689 2.293 266 HD2 PHE 35 2HD PHE 35 8.328 4.325 4.430 267 HE1 PHE 35 1HE PHE 35 9.527 1.388 0.761 268 HE2 PHE 35 2HE PHE 35 9.946 5.137 2.796 269 HZ PHE 35 HZ PHE 35 10.612 3.628 0.879 270 HA PRO 36 HA PRO 36 5.584 0.190 9.294 271 HB2 PRO 36 2HB PRO 36 6.141 2.825 10.479 272 HB3 PRO 36 1HB PRO 36 6.338 1.196 11.196 273 HG2 PRO 36 2HG PRO 36 8.282 2.914 10.103 274 HG3 PRO 36 1HG PRO 36 8.494 1.287 10.765 275 HD2 PRO 36 2HD PRO 36 8.878 1.953 8.156 276 HD3 PRO 36 1HD PRO 36 8.537 0.334 8.753 277 H HIS 37 H HIS 37 5.218 3.095 7.323 278 HA HIS 37 HA HIS 37 2.619 3.704 8.559 279 HB2 HIS 37 1HB HIS 37 4.300 5.754 7.422 280 HB3 HIS 37 2HB HIS 37 3.470 5.102 6.092 281 HD1 HIS 37 HD1 HIS 37 3.112 7.760 8.351 282 HD2 HIS 37 HD2 HIS 37 0.648 5.049 6.458 283 HE1 HIS 37 HE1 HIS 37 0.863 8.864 8.368 284 HE2 HIS 37 HE2 HIS 37 -0.432 7.437 6.765 285 H CYS 38 H CYS 38 3.946 3.197 5.459 286 HA CYS 38 HA CYS 38 1.687 2.885 3.921 287 HB2 CYS 38 2HB CYS 38 4.469 1.826 3.363 288 HB3 CYS 38 1HB CYS 38 3.325 2.652 2.317 289 HG CYS 38 HG CYS 38 5.782 3.988 3.537 290 H PHE 39 H PHE 39 3.957 0.549 5.276 291 HA PHE 39 HA PHE 39 2.263 -1.459 4.108 292 HB2 PHE 39 2HB PHE 39 4.886 -0.642 4.414 293 HB3 PHE 39 1HB PHE 39 5.039 -2.212 4.112 294 HD1 PHE 39 1HD PHE 39 6.026 0.212 2.958 295 HD2 PHE 39 2HD PHE 39 2.677 -2.127 1.882 296 HE1 PHE 39 1HE PHE 39 6.263 0.991 0.985 297 HE2 PHE 39 2HE PHE 39 2.866 -1.298 -0.384 298 HZ PHE 39 HZ PHE 39 4.659 0.320 -0.939 299 H SER 40 H SER 40 2.151 -3.393 5.168 300 HA SER 40 HA SER 40 2.320 -3.496 8.184 301 HB2 SER 40 1HB SER 40 0.975 -5.090 6.128 302 HB3 SER 40 2HB SER 40 1.003 -5.411 7.863 303 HG SER 40 HG SER 40 -0.650 -3.760 6.429 304 H ALA 41 H ALA 41 2.165 -6.361 6.578 305 HA ALA 41 HA ALA 41 3.749 -7.806 5.644 306 HB1 ALA 41 1HB ALA 41 5.394 -6.469 7.653 307 HB2 ALA 41 2HB ALA 41 5.343 -6.206 5.924 308 HB3 ALA 41 3HB ALA 41 6.057 -7.760 6.555 309 H GLU 42 H GLU 42 3.285 -6.590 8.596 310 HA GLU 42 HA GLU 42 2.928 -8.653 10.387 311 HB2 GLU 42 1HB GLU 42 1.883 -6.263 9.586 312 HB3 GLU 42 2HB GLU 42 1.191 -6.824 10.932 313 HG2 GLU 42 1HG GLU 42 3.955 -5.798 10.350 314 HG3 GLU 42 2HG GLU 42 2.939 -5.271 11.693 315 H GLY 43 H GLY 43 1.316 -7.045 8.186 316 HA2 GLY 43 1HA GLY 43 -1.018 -8.556 8.657 317 HA3 GLY 43 2HA GLY 43 -1.208 -6.846 8.370 318 H GLU 44 H GLU 44 -2.470 -8.870 6.816 319 HA GLU 44 HA GLU 44 -1.817 -9.626 4.406 320 HB2 GLU 44 1HB GLU 44 -4.045 -9.385 5.736 321 HB3 GLU 44 2HB GLU 44 -4.153 -7.882 4.848 322 HG2 GLU 44 1HG GLU 44 -4.127 -9.016 2.812 323 HG3 GLU 44 2HG GLU 44 -4.080 -10.593 3.639 324 H ALA 45 H ALA 45 -3.297 -6.406 4.881 325 HA ALA 45 HA ALA 45 -1.227 -5.116 3.457 326 HB1 ALA 45 1HB ALA 45 -3.972 -5.470 2.300 327 HB2 ALA 45 2HB ALA 45 -2.385 -5.932 1.601 328 HB3 ALA 45 3HB ALA 45 -2.814 -4.223 1.766 329 H ARG 46 H ARG 46 -2.644 -2.813 2.885 330 HA ARG 46 HA ARG 46 -4.087 -1.877 5.127 331 HB2 ARG 46 1HB ARG 46 -1.674 -1.957 5.911 332 HB3 ARG 46 2HB ARG 46 -1.245 -0.956 4.541 333 HG2 ARG 46 1HG ARG 46 -2.577 0.865 5.440 334 HG3 ARG 46 2HG ARG 46 -3.058 -0.152 6.804 335 HD2 ARG 46 1HD ARG 46 -0.255 0.704 6.107 336 HD3 ARG 46 2HD ARG 46 -1.236 1.333 7.429 337 HE ARG 46 HE ARG 46 -1.037 -1.449 7.683 338 HH11 ARG 46 1HH1 ARG 46 0.984 1.371 7.930 339 HH12 ARG 46 2HH1 ARG 46 2.079 0.747 9.071 340 HH21 ARG 46 1HH2 ARG 46 0.446 -2.410 9.258 341 HH22 ARG 46 2HH2 ARG 46 1.758 -1.482 9.838 342 HA PRO 47 HA PRO 47 -5.137 0.636 1.564 343 HB2 PRO 47 2HB PRO 47 -5.183 3.019 3.358 344 HB3 PRO 47 1HB PRO 47 -6.501 2.446 2.292 345 HG2 PRO 47 2HG PRO 47 -6.630 2.116 4.916 346 HG3 PRO 47 1HG PRO 47 -7.220 0.876 3.792 347 HD2 PRO 47 2HD PRO 47 -4.763 0.871 5.461 348 HD3 PRO 47 1HD PRO 47 -5.808 -0.476 4.970 349 H LEU 48 H LEU 48 -3.819 1.400 0.067 350 HA LEU 48 HA LEU 48 -1.479 2.967 0.724 351 HB2 LEU 48 1HB LEU 48 -0.556 0.900 0.816 352 HB3 LEU 48 2HB LEU 48 -1.677 0.116 -0.236 353 HG LEU 48 HG LEU 48 -0.549 1.714 -1.844 354 HD11 LEU 48 1HD1 LEU 48 1.197 2.605 -0.511 355 HD12 LEU 48 2HD1 LEU 48 1.953 1.189 -1.350 356 HD13 LEU 48 3HD1 LEU 48 1.312 1.009 0.279 357 HD21 LEU 48 1HD2 LEU 48 -0.156 -1.004 -1.161 358 HD22 LEU 48 2HD2 LEU 48 1.137 -0.260 -2.125 359 HD23 LEU 48 3HD2 LEU 48 -0.528 -0.204 -2.723 360 H LYS 49 H LYS 49 -0.567 3.755 -1.629 361 HA LYS 49 HA LYS 49 -2.758 4.275 -3.376 362 HB2 LYS 49 1HB LYS 49 -1.017 5.701 -4.316 363 HB3 LYS 49 2HB LYS 49 -1.557 6.342 -2.764 364 HG2 LYS 49 1HG LYS 49 0.529 5.282 -1.878 365 HG3 LYS 49 2HG LYS 49 0.923 4.895 -3.552 366 HD2 LYS 49 1HD LYS 49 0.628 7.664 -2.350 367 HD3 LYS 49 2HD LYS 49 2.100 6.876 -2.808 368 HE2 LYS 49 1HE LYS 49 1.451 6.882 -5.174 369 HE3 LYS 49 2HE LYS 49 -0.061 7.692 -4.784 370 HZ1 LYS 49 1HZ LYS 49 1.689 9.354 -5.517 371 HZ2 LYS 49 2HZ LYS 49 2.647 8.789 -4.215 372 HZ3 LYS 49 3HZ LYS 49 1.328 9.572 -3.879 373 H ILE 50 H ILE 50 -1.949 3.737 -5.590 374 HA ILE 50 HA ILE 50 0.189 1.780 -5.431 375 HB ILE 50 HB ILE 50 -2.074 1.936 -7.236 376 HG12 ILE 50 1HG1 ILE 50 -0.316 -0.171 -5.973 377 HG13 ILE 50 2HG1 ILE 50 -1.794 0.524 -5.308 378 HG21 ILE 50 1HG2 ILE 50 -0.822 0.715 -9.004 379 HG22 ILE 50 2HG2 ILE 50 0.588 0.899 -7.880 380 HG23 ILE 50 3HG2 ILE 50 -0.090 2.333 -8.624 381 HD11 ILE 50 1HD1 ILE 50 -3.090 -0.537 -6.829 382 HD12 ILE 50 2HD1 ILE 50 -1.816 -1.781 -6.419 383 HD13 ILE 50 3HD1 ILE 50 -1.732 -0.833 -7.908 384 H GLY 51 H GLY 51 -0.200 4.634 -6.949 385 HA2 GLY 51 1HA GLY 51 2.296 4.546 -8.445 386 HA3 GLY 51 2HA GLY 51 1.424 6.005 -7.993 387 H ILE 52 H ILE 52 1.840 4.724 -4.984 388 HA ILE 52 HA ILE 52 4.023 5.893 -3.955 389 HB ILE 52 HB ILE 52 2.551 4.718 -2.498 390 HG12 ILE 52 1HG1 ILE 52 5.043 3.417 -3.081 391 HG13 ILE 52 2HG1 ILE 52 4.806 4.670 -1.969 392 HG21 ILE 52 1HG2 ILE 52 2.188 2.404 -2.679 393 HG22 ILE 52 2HG2 ILE 52 3.315 2.296 -4.036 394 HG23 ILE 52 3HG2 ILE 52 1.730 3.075 -4.272 395 HD11 ILE 52 1HD1 ILE 52 5.022 2.182 -1.420 396 HD12 ILE 52 2HD1 ILE 52 3.386 2.088 -1.903 397 HD13 ILE 52 3HD1 ILE 52 3.821 3.095 -0.455 398 H PHE 53 H PHE 53 3.795 2.872 -5.789 399 HA PHE 53 HA PHE 53 5.890 1.564 -5.029 400 HB2 PHE 53 2HB PHE 53 4.575 0.720 -6.463 401 HB3 PHE 53 1HB PHE 53 4.551 2.057 -7.598 402 HD1 PHE 53 1HD PHE 53 6.223 2.013 -9.428 403 HD2 PHE 53 2HD PHE 53 6.462 -0.280 -6.026 404 HE1 PHE 53 1HE PHE 53 8.226 0.767 -10.402 405 HE2 PHE 53 2HE PHE 53 8.114 -1.596 -6.936 406 HZ PHE 53 HZ PHE 53 9.112 -1.161 -9.022 407 H GLN 54 H GLN 54 5.749 3.958 -7.384 408 HA GLN 54 HA GLN 54 8.334 4.422 -8.306 409 HB2 GLN 54 1HB GLN 54 6.170 5.125 -9.115 410 HB3 GLN 54 2HB GLN 54 5.984 5.562 -7.586 411 HG2 GLN 54 1HG GLN 54 7.924 7.033 -7.974 412 HG3 GLN 54 2HG GLN 54 6.890 7.658 -9.409 413 HE21 GLN 54 1HE2 GLN 54 6.919 7.325 -5.562 414 HE22 GLN 54 2HE2 GLN 54 5.916 6.246 -6.188 415 H ASP 55 H ASP 55 7.221 4.933 -5.492 416 HA ASP 55 HA ASP 55 8.918 7.141 -4.801 417 HB2 ASP 55 1HB ASP 55 6.220 6.573 -3.867 418 HB3 ASP 55 2HB ASP 55 7.223 6.049 -2.858 419 H LEU 56 H LEU 56 7.754 4.262 -3.812 420 HA LEU 56 HA LEU 56 9.300 3.325 -1.769 421 HB2 LEU 56 1HB LEU 56 7.968 2.480 -4.252 422 HB3 LEU 56 2HB LEU 56 7.938 2.968 -2.638 423 HG LEU 56 HG LEU 56 8.550 0.356 -2.731 424 HD11 LEU 56 1HD1 LEU 56 6.813 2.296 -1.547 425 HD12 LEU 56 2HD1 LEU 56 8.454 2.092 -0.798 426 HD13 LEU 56 3HD1 LEU 56 7.217 0.777 -0.771 427 HD21 LEU 56 1HD2 LEU 56 6.821 0.439 -4.043 428 HD22 LEU 56 2HD2 LEU 56 6.462 2.056 -3.239 429 HD23 LEU 56 3HD2 LEU 56 6.127 0.587 -2.362 430 H VAL 57 H VAL 57 9.491 3.169 -5.039 431 HA VAL 57 HA VAL 57 11.841 1.878 -5.078 432 HB VAL 57 HB VAL 57 12.039 2.255 -7.454 433 HG11 VAL 57 1HG1 VAL 57 9.246 2.118 -7.105 434 HG12 VAL 57 2HG1 VAL 57 10.051 1.409 -5.774 435 HG13 VAL 57 3HG1 VAL 57 10.408 0.713 -7.441 436 HG21 VAL 57 1HG2 VAL 57 11.499 4.506 -7.519 437 HG22 VAL 57 2HG2 VAL 57 9.870 4.267 -6.917 438 HG23 VAL 57 3HG2 VAL 57 10.342 3.566 -8.515 439 H ASP 58 H ASP 58 11.279 5.306 -5.088 440 HA ASP 58 HA ASP 58 13.511 6.546 -5.700 441 HB2 ASP 58 1HB ASP 58 11.396 7.090 -4.104 442 HB3 ASP 58 2HB ASP 58 12.584 6.701 -3.036 443 H ARG 59 H ARG 59 12.644 4.694 -2.976 444 HA ARG 59 HA ARG 59 14.868 5.053 -1.295 445 HB2 ARG 59 1HB ARG 59 12.168 4.635 -1.282 446 HB3 ARG 59 2HB ARG 59 12.939 3.944 0.193 447 HG2 ARG 59 1HG ARG 59 13.011 6.120 1.020 448 HG3 ARG 59 2HG ARG 59 13.450 6.786 -0.566 449 HD2 ARG 59 1HD ARG 59 11.280 6.680 -1.343 450 HD3 ARG 59 2HD ARG 59 10.691 5.686 -0.050 451 HE ARG 59 HE ARG 59 11.119 7.779 1.343 452 HH11 ARG 59 1HH1 ARG 59 10.778 8.189 -2.114 453 HH12 ARG 59 2HH1 ARG 59 9.451 9.240 -2.064 454 HH21 ARG 59 1HH2 ARG 59 9.292 9.580 1.474 455 HH22 ARG 59 2HH2 ARG 59 8.703 10.041 -0.031 456 H VAL 60 H VAL 60 12.377 2.554 -2.151 457 HA VAL 60 HA VAL 60 13.222 0.775 -0.441 458 HB VAL 60 HB VAL 60 11.823 -0.686 -1.821 459 HG11 VAL 60 1HG1 VAL 60 11.277 2.062 -1.062 460 HG12 VAL 60 2HG1 VAL 60 10.746 0.456 -0.317 461 HG13 VAL 60 3HG1 VAL 60 10.166 1.045 -2.020 462 HG21 VAL 60 1HG2 VAL 60 12.244 1.403 -3.485 463 HG22 VAL 60 2HG2 VAL 60 10.553 0.983 -3.372 464 HG23 VAL 60 3HG2 VAL 60 11.772 -0.245 -3.915 465 H ALA 61 H ALA 61 13.919 1.062 -3.703 466 HA ALA 61 HA ALA 61 13.657 -1.465 -4.286 467 HB1 ALA 61 1HB ALA 61 14.353 -1.116 -6.361 468 HB2 ALA 61 2HB ALA 61 15.258 0.374 -5.886 469 HB3 ALA 61 3HB ALA 61 13.478 0.240 -5.666 470 H GLY 62 H GLY 62 16.601 -0.461 -4.779 471 HA2 GLY 62 1HA GLY 62 17.215 -3.229 -4.342 472 HA3 GLY 62 2HA GLY 62 18.199 -2.344 -5.431 473 H GLU 63 H GLU 63 17.028 -1.644 -2.458 474 HA GLU 63 HA GLU 63 19.250 -1.072 -0.920 475 HB2 GLU 63 1HB GLU 63 16.533 -1.925 -0.513 476 HB3 GLU 63 2HB GLU 63 17.474 -2.029 0.916 477 HG2 GLU 63 1HG GLU 63 17.994 0.559 0.091 478 HG3 GLU 63 2HG GLU 63 16.474 0.216 -0.761 479 H MET 64 H MET 64 17.202 -3.886 -1.206 480 HA MET 64 HA MET 64 19.396 -5.590 -0.412 481 HB2 MET 64 1HB MET 64 16.654 -6.499 -0.051 482 HB3 MET 64 2HB MET 64 18.104 -7.151 0.597 483 HG2 MET 64 1HG MET 64 16.898 -6.283 2.395 484 HG3 MET 64 2HG MET 64 18.245 -5.172 2.123 485 HE1 MET 64 1HE MET 64 15.220 -5.309 -0.338 486 HE2 MET 64 2HE MET 64 14.087 -4.174 0.426 487 HE3 MET 64 3HE MET 64 14.294 -5.718 1.129 488 H ASN 65 H ASN 65 16.407 -5.929 -1.649 489 HA ASN 65 HA ASN 65 17.484 -7.644 -3.633 490 HB2 ASN 65 1HB ASN 65 15.429 -7.852 -1.666 491 HB3 ASN 65 2HB ASN 65 15.389 -9.074 -2.816 492 HD21 ASN 65 1HD2 ASN 65 16.976 -9.820 0.204 493 HD22 ASN 65 2HD2 ASN 65 15.535 -9.123 -0.189 494 H LEU 66 H LEU 66 16.358 -5.067 -4.470 495 HA LEU 66 HA LEU 66 13.879 -5.939 -5.994 496 HB2 LEU 66 1HB LEU 66 14.644 -4.127 -4.244 497 HB3 LEU 66 2HB LEU 66 13.744 -3.146 -5.253 498 HG LEU 66 HG LEU 66 13.482 -4.719 -2.900 499 HD11 LEU 66 1HD1 LEU 66 12.944 -2.538 -2.936 500 HD12 LEU 66 2HD1 LEU 66 11.370 -3.380 -2.734 501 HD13 LEU 66 3HD1 LEU 66 11.900 -2.708 -4.312 502 HD21 LEU 66 1HD2 LEU 66 11.385 -5.822 -3.250 503 HD22 LEU 66 2HD2 LEU 66 12.822 -6.213 -4.275 504 HD23 LEU 66 3HD2 LEU 66 11.470 -5.334 -5.014 505 H SER 67 H SER 67 13.971 -5.770 -7.808 506 HA SER 67 HA SER 67 15.682 -3.917 -9.256 507 HB2 SER 67 1HB SER 67 15.861 -6.274 -9.674 508 HB3 SER 67 2HB SER 67 14.107 -6.384 -9.825 509 HG SER 67 HG SER 67 15.585 -6.287 -11.828 510 H LYS 68 H LYS 68 13.357 -2.898 -7.822 511 HA LYS 68 HA LYS 68 11.304 -1.879 -7.816 512 HB2 LYS 68 1HB LYS 68 11.119 -1.275 -10.541 513 HB3 LYS 68 2HB LYS 68 11.023 -0.167 -9.226 514 HG2 LYS 68 1HG LYS 68 13.488 -1.058 -10.699 515 HG3 LYS 68 2HG LYS 68 12.803 0.577 -10.612 516 HD2 LYS 68 1HD LYS 68 13.392 0.780 -8.319 517 HD3 LYS 68 2HD LYS 68 13.192 -0.920 -8.362 518 HE2 LYS 68 1HE LYS 68 15.684 -0.069 -8.110 519 HE3 LYS 68 2HE LYS 68 15.375 -1.323 -9.310 520 HZ1 LYS 68 1HZ LYS 68 15.290 0.381 -11.021 521 HZ2 LYS 68 2HZ LYS 68 16.769 0.441 -10.213 522 HZ3 LYS 68 3HZ LYS 68 15.578 1.594 -9.878 523 H THR 69 H THR 69 11.417 -4.057 -10.668 524 HA THR 69 HA THR 69 8.665 -3.687 -10.863 525 HB THR 69 HB THR 69 8.769 -5.140 -12.411 526 HG1 THR 69 1HG THR 69 11.275 -5.918 -12.910 527 HG21 THR 69 1HG2 THR 69 11.118 -3.390 -12.436 528 HG22 THR 69 2HG2 THR 69 9.490 -2.969 -13.015 529 HG23 THR 69 3HG2 THR 69 10.536 -4.074 -13.958 530 H GLN 70 H GLN 70 10.792 -5.821 -9.489 531 HA GLN 70 HA GLN 70 8.876 -7.884 -8.811 532 HB2 GLN 70 1HB GLN 70 10.636 -8.653 -7.248 533 HB3 GLN 70 2HB GLN 70 11.278 -8.498 -8.852 534 HG2 GLN 70 1HG GLN 70 12.173 -6.368 -8.296 535 HG3 GLN 70 2HG GLN 70 11.309 -6.675 -6.762 536 HE21 GLN 70 1HE2 GLN 70 13.407 -8.601 -5.383 537 HE22 GLN 70 2HE2 GLN 70 11.807 -7.968 -5.437 538 H LEU 71 H LEU 71 9.462 -4.832 -7.738 539 HA LEU 71 HA LEU 71 8.244 -5.099 -5.085 540 HB2 LEU 71 1HB LEU 71 10.373 -3.788 -5.700 541 HB3 LEU 71 2HB LEU 71 9.477 -2.726 -6.572 542 HG LEU 71 HG LEU 71 10.117 -2.797 -3.918 543 HD11 LEU 71 1HD1 LEU 71 8.606 -0.732 -5.359 544 HD12 LEU 71 2HD1 LEU 71 10.372 -0.956 -5.407 545 HD13 LEU 71 3HD1 LEU 71 9.636 -0.504 -3.907 546 HD21 LEU 71 1HD2 LEU 71 7.947 -1.907 -3.119 547 HD22 LEU 71 2HD2 LEU 71 8.275 -3.655 -3.195 548 HD23 LEU 71 3HD2 LEU 71 7.280 -2.894 -4.439 549 H ARG 72 H ARG 72 7.787 -3.666 -8.294 550 HA ARG 72 HA ARG 72 5.532 -2.273 -7.501 551 HB2 ARG 72 1HB ARG 72 5.083 -1.929 -10.005 552 HB3 ARG 72 2HB ARG 72 6.798 -1.813 -9.571 553 HG2 ARG 72 1HG ARG 72 6.950 -2.993 -11.399 554 HG3 ARG 72 2HG ARG 72 6.938 -4.101 -9.959 555 HD2 ARG 72 1HD ARG 72 5.529 -5.177 -11.625 556 HD3 ARG 72 2HD ARG 72 4.586 -4.343 -10.348 557 HE ARG 72 HE ARG 72 4.436 -2.474 -12.035 558 HH11 ARG 72 1HH1 ARG 72 4.331 -5.916 -12.908 559 HH12 ARG 72 2HH1 ARG 72 3.517 -5.706 -14.377 560 HH21 ARG 72 1HH2 ARG 72 3.279 -2.139 -14.111 561 HH22 ARG 72 2HH2 ARG 72 2.901 -3.472 -15.087 562 H SER 73 H SER 73 6.134 -5.401 -8.217 563 HA SER 73 HA SER 73 3.604 -6.291 -8.917 564 HB2 SER 73 1HB SER 73 5.332 -6.878 -9.865 565 HB3 SER 73 2HB SER 73 6.282 -7.194 -8.527 566 HG SER 73 HG SER 73 5.277 -9.252 -8.295 567 H ALA 74 H ALA 74 5.393 -5.738 -6.335 568 HA ALA 74 HA ALA 74 3.988 -7.474 -4.372 569 HB1 ALA 74 1HB ALA 74 6.350 -6.867 -3.891 570 HB2 ALA 74 2HB ALA 74 5.301 -6.159 -2.684 571 HB3 ALA 74 3HB ALA 74 5.922 -5.171 -4.001 572 H LEU 75 H LEU 75 3.838 -4.690 -5.878 573 HA LEU 75 HA LEU 75 2.026 -3.397 -4.111 574 HB2 LEU 75 1HB LEU 75 4.121 -3.314 -5.136 575 HB3 LEU 75 2HB LEU 75 3.850 -2.288 -6.291 576 HG LEU 75 HG LEU 75 3.650 -2.160 -3.253 577 HD11 LEU 75 1HD1 LEU 75 5.094 -0.387 -4.934 578 HD12 LEU 75 2HD1 LEU 75 5.718 -2.050 -4.912 579 HD13 LEU 75 3HD1 LEU 75 5.578 -1.081 -3.404 580 HD21 LEU 75 1HD2 LEU 75 2.027 -0.490 -4.425 581 HD22 LEU 75 2HD2 LEU 75 3.652 0.324 -4.743 582 HD23 LEU 75 3HD2 LEU 75 3.137 -0.051 -3.122 583 H ARG 76 H ARG 76 1.521 -5.484 -5.780 584 HA ARG 76 HA ARG 76 -0.824 -4.869 -7.477 585 HB2 ARG 76 1HB ARG 76 1.492 -6.612 -8.146 586 HB3 ARG 76 2HB ARG 76 -0.074 -7.357 -8.341 587 HG2 ARG 76 1HG ARG 76 0.729 -6.512 -10.425 588 HG3 ARG 76 2HG ARG 76 -0.675 -5.570 -9.911 589 HD2 ARG 76 1HD ARG 76 1.772 -4.766 -8.878 590 HD3 ARG 76 2HD ARG 76 1.732 -4.492 -10.666 591 HE ARG 76 HE ARG 76 0.535 -3.085 -8.492 592 HH11 ARG 76 1HH1 ARG 76 -0.316 -4.025 -11.792 593 HH12 ARG 76 2HH1 ARG 76 -1.149 -2.584 -12.167 594 HH21 ARG 76 1HH2 ARG 76 -0.529 -1.144 -8.987 595 HH22 ARG 76 2HH2 ARG 76 -1.287 -0.847 -10.485 596 H LEU 77 H LEU 77 1.204 -7.121 -5.783 597 HA LEU 77 HA LEU 77 -0.383 -9.334 -5.439 598 HB2 LEU 77 1HB LEU 77 2.215 -8.819 -4.955 599 HB3 LEU 77 2HB LEU 77 1.681 -8.273 -3.607 600 HG LEU 77 HG LEU 77 0.464 -10.684 -3.534 601 HD11 LEU 77 1HD1 LEU 77 3.349 -10.342 -3.910 602 HD12 LEU 77 2HD1 LEU 77 2.386 -11.101 -5.207 603 HD13 LEU 77 3HD1 LEU 77 2.650 -11.949 -3.631 604 HD21 LEU 77 1HD2 LEU 77 2.060 -10.677 -1.604 605 HD22 LEU 77 2HD2 LEU 77 1.071 -9.186 -1.834 606 HD23 LEU 77 3HD2 LEU 77 2.720 -9.286 -2.522 607 H TYR 78 H TYR 78 0.636 -7.031 -3.120 608 HA TYR 78 HA TYR 78 -1.252 -8.106 -1.351 609 HB2 TYR 78 2HB TYR 78 0.030 -7.372 0.384 610 HB3 TYR 78 1HB TYR 78 1.198 -7.092 -0.870 611 HD1 TYR 78 1HD TYR 78 -0.013 -5.863 1.881 612 HD2 TYR 78 2HD TYR 78 0.744 -4.750 -2.070 613 HE1 TYR 78 1HE TYR 78 0.132 -3.585 2.601 614 HE2 TYR 78 2HE TYR 78 0.851 -2.476 -1.494 615 HH TYR 78 HH TYR 78 0.688 -1.550 2.010 616 H THR 79 H THR 79 -1.031 -5.675 -3.529 617 HA THR 79 HA THR 79 -3.036 -3.875 -2.366 618 HB THR 79 HB THR 79 -2.843 -2.514 -4.294 619 HG1 THR 79 1HG THR 79 -2.877 -4.124 -5.918 620 HG21 THR 79 1HG2 THR 79 -0.401 -2.281 -4.408 621 HG22 THR 79 2HG2 THR 79 -0.356 -3.877 -3.582 622 HG23 THR 79 3HG2 THR 79 -1.094 -2.495 -2.776 623 H SER 80 H SER 80 -3.099 -6.757 -4.118 624 HA SER 80 HA SER 80 -5.802 -6.381 -5.027 625 HB2 SER 80 1HB SER 80 -4.038 -8.852 -5.015 626 HB3 SER 80 2HB SER 80 -5.648 -8.768 -5.728 627 HG SER 80 HG SER 80 -3.350 -7.302 -6.468 628 H SER 81 H SER 81 -4.378 -6.730 -2.090 629 HA SER 81 HA SER 81 -6.246 -8.573 -0.994 630 HB2 SER 81 1HB SER 81 -4.470 -8.442 0.341 631 HB3 SER 81 2HB SER 81 -4.247 -6.661 0.108 632 HG SER 81 HG SER 81 -5.847 -8.152 1.926 633 H TRP 82 H TRP 82 -7.735 -7.976 0.325 634 HA TRP 82 HA TRP 82 -9.445 -5.617 -0.532 635 HB2 TRP 82 2HB TRP 82 -10.286 -8.190 0.489 636 HB3 TRP 82 1HB TRP 82 -10.365 -7.055 1.786 637 HD1 TRP 82 1HD TRP 82 -10.886 -5.808 -1.577 638 HE1 TRP 82 1HE TRP 82 -13.306 -5.286 -1.889 639 HE3 TRP 82 3HE TRP 82 -12.612 -8.030 2.562 640 HZ2 TRP 82 2HZ TRP 82 -15.641 -5.696 -0.567 641 HZ3 TRP 82 3HZ TRP 82 -14.978 -7.984 2.969 642 HH2 TRP 82 2HH TRP 82 -16.522 -6.801 1.308 643 H ARG 83 H ARG 83 -7.896 -6.792 2.059 644 HA ARG 83 HA ARG 83 -8.548 -4.685 3.791 645 HB2 ARG 83 1HB ARG 83 -8.010 -6.343 4.896 646 HB3 ARG 83 2HB ARG 83 -6.791 -7.008 3.795 647 HG2 ARG 83 1HG ARG 83 -5.179 -5.738 4.879 648 HG3 ARG 83 2HG ARG 83 -6.429 -4.724 5.639 649 HD2 ARG 83 1HD ARG 83 -7.234 -6.603 6.924 650 HD3 ARG 83 2HD ARG 83 -6.291 -7.712 5.950 651 HE ARG 83 HE ARG 83 -4.903 -5.841 7.666 652 HH11 ARG 83 1HH1 ARG 83 -5.850 -9.170 6.793 653 HH12 ARG 83 2HH1 ARG 83 -5.141 -9.949 8.098 654 HH21 ARG 83 1HH2 ARG 83 -3.795 -6.924 9.575 655 HH22 ARG 83 2HH2 ARG 83 -3.895 -8.613 9.752 656 H TYR 84 H TYR 84 -6.424 -4.883 1.400 657 HA TYR 84 HA TYR 84 -4.916 -2.513 1.765 658 HB2 TYR 84 2HB TYR 84 -4.403 -4.160 -0.006 659 HB3 TYR 84 1HB TYR 84 -5.992 -3.962 -0.597 660 HD1 TYR 84 1HD TYR 84 -2.669 -1.889 -0.484 661 HD2 TYR 84 2HD TYR 84 -6.635 -2.526 -2.008 662 HE1 TYR 84 1HE TYR 84 -2.273 -0.349 -2.058 663 HE2 TYR 84 2HE TYR 84 -6.168 -0.826 -3.752 664 HH TYR 84 HH TYR 84 -4.601 1.112 -4.039 665 H LEU 85 H LEU 85 -7.790 -3.080 -0.174 666 HA LEU 85 HA LEU 85 -8.252 -0.293 -0.317 667 HB2 LEU 85 1HB LEU 85 -10.237 -0.705 -1.538 668 HB3 LEU 85 2HB LEU 85 -8.586 -0.967 -2.286 669 HG LEU 85 HG LEU 85 -10.449 -2.416 -3.186 670 HD11 LEU 85 1HD1 LEU 85 -9.618 -4.578 -2.637 671 HD12 LEU 85 2HD1 LEU 85 -8.767 -3.802 -1.270 672 HD13 LEU 85 3HD1 LEU 85 -8.292 -3.407 -2.930 673 HD21 LEU 85 1HD2 LEU 85 -11.715 -3.851 -1.721 674 HD22 LEU 85 2HD2 LEU 85 -11.883 -2.148 -1.202 675 HD23 LEU 85 3HD2 LEU 85 -10.783 -3.234 -0.359 676 H TYR 86 H TYR 86 -8.967 -1.732 2.003 677 HA TYR 86 HA TYR 86 -11.634 -1.540 2.580 678 HB2 TYR 86 2HB TYR 86 -9.212 -1.531 3.611 679 HB3 TYR 86 1HB TYR 86 -10.248 -0.935 4.859 680 HD1 TYR 86 1HD TYR 86 -10.682 -3.436 2.253 681 HD2 TYR 86 2HD TYR 86 -10.250 -3.000 6.441 682 HE1 TYR 86 1HE TYR 86 -11.271 -5.543 2.454 683 HE2 TYR 86 2HE TYR 86 -10.852 -5.316 6.753 684 HH TYR 86 HH TYR 86 -11.006 -7.531 4.175 685 H GLY 87 H GLY 87 -9.219 0.626 2.010 686 HA2 GLY 87 1HA GLY 87 -10.656 2.959 1.829 687 HA3 GLY 87 2HA GLY 87 -9.695 3.111 3.308 688 H VAL 88 H VAL 88 -9.774 2.233 -0.071 689 HA VAL 88 HA VAL 88 -7.408 3.833 -0.439 690 HB VAL 88 HB VAL 88 -7.875 1.204 -1.812 691 HG11 VAL 88 1HG1 VAL 88 -5.648 1.624 -2.800 692 HG12 VAL 88 2HG1 VAL 88 -5.587 3.199 -2.016 693 HG13 VAL 88 3HG1 VAL 88 -6.802 2.877 -3.261 694 HG21 VAL 88 1HG2 VAL 88 -5.704 2.010 0.039 695 HG22 VAL 88 2HG2 VAL 88 -6.106 0.350 -0.579 696 HG23 VAL 88 3HG2 VAL 88 -7.209 1.239 0.493 697 H LYS 89 H LYS 89 -8.249 5.258 -2.026 698 HA LYS 89 HA LYS 89 -8.541 4.453 -4.563 699 HB2 LYS 89 1HB LYS 89 -10.800 3.704 -4.222 700 HB3 LYS 89 2HB LYS 89 -11.321 5.152 -3.437 701 HG2 LYS 89 1HG LYS 89 -11.251 6.369 -5.503 702 HG3 LYS 89 2HG LYS 89 -10.405 5.047 -6.308 703 HD2 LYS 89 1HD LYS 89 -13.116 4.612 -5.091 704 HD3 LYS 89 2HD LYS 89 -12.960 5.334 -6.689 705 HE2 LYS 89 1HE LYS 89 -13.333 2.897 -6.821 706 HE3 LYS 89 2HE LYS 89 -11.783 3.359 -7.504 707 HZ1 LYS 89 1HZ LYS 89 -11.679 1.326 -6.132 708 HZ2 LYS 89 2HZ LYS 89 -12.155 2.202 -4.773 709 HZ3 LYS 89 3HZ LYS 89 -10.690 2.536 -5.507 710 HA PRO 90 HA PRO 90 -7.916 9.058 -4.023 711 HB2 PRO 90 2HB PRO 90 -8.984 9.723 -1.499 712 HB3 PRO 90 1HB PRO 90 -9.463 10.502 -3.046 713 HG2 PRO 90 2HG PRO 90 -11.220 9.113 -1.621 714 HG3 PRO 90 1HG PRO 90 -11.163 8.927 -3.390 715 HD2 PRO 90 2HD PRO 90 -9.927 7.186 -1.306 716 HD3 PRO 90 1HD PRO 90 -10.963 6.756 -2.689 717 H GLY 91 H GLY 91 -7.432 10.330 -1.420 718 HA2 GLY 91 1HA GLY 91 -5.262 9.121 -0.999 719 HA3 GLY 91 2HA GLY 91 -5.480 10.615 -0.118 720 H ALA 92 H ALA 92 -7.025 8.067 -0.319 721 HA ALA 92 HA ALA 92 -7.633 6.972 2.250 722 HB1 ALA 92 1HB ALA 92 -8.914 6.654 0.335 723 HB2 ALA 92 2HB ALA 92 -8.377 5.000 0.852 724 HB3 ALA 92 3HB ALA 92 -7.579 5.884 -0.460 725 H THR 93 H THR 93 -5.355 6.298 0.015 726 HA THR 93 HA THR 93 -3.761 4.310 0.834 727 HB THR 93 HB THR 93 -3.166 5.504 -0.998 728 HG1 THR 93 1HG THR 93 -1.018 6.427 -0.487 729 HG21 THR 93 1HG2 THR 93 -2.613 7.969 -0.896 730 HG22 THR 93 2HG2 THR 93 -3.463 7.947 0.625 731 HG23 THR 93 3HG2 THR 93 -4.275 7.389 -0.827 732 H ARG 94 H ARG 94 -4.034 7.530 2.161 733 HA ARG 94 HA ARG 94 -3.054 8.716 3.729 734 HB2 ARG 94 1HB ARG 94 -3.114 6.046 4.984 735 HB3 ARG 94 2HB ARG 94 -2.222 7.460 5.624 736 HG2 ARG 94 1HG ARG 94 -4.353 7.376 6.795 737 HG3 ARG 94 2HG ARG 94 -4.508 8.644 5.587 738 HD2 ARG 94 1HD ARG 94 -5.871 7.111 4.138 739 HD3 ARG 94 2HD ARG 94 -5.442 5.815 5.228 740 HE ARG 94 HE ARG 94 -6.679 7.744 6.774 741 HH11 ARG 94 1HH1 ARG 94 -7.457 5.510 4.173 742 HH12 ARG 94 2HH1 ARG 94 -9.070 5.248 4.666 743 HH21 ARG 94 1HH2 ARG 94 -8.733 7.397 7.541 744 HH22 ARG 94 2HH2 ARG 94 -9.874 6.415 6.726 745 H VAL 95 H VAL 95 -1.149 6.907 1.766 746 HA VAL 95 HA VAL 95 1.153 7.939 3.020 747 HB VAL 95 HB VAL 95 2.296 6.055 3.439 748 HG11 VAL 95 1HG1 VAL 95 -0.384 4.929 3.173 749 HG12 VAL 95 2HG1 VAL 95 0.231 6.021 4.425 750 HG13 VAL 95 3HG1 VAL 95 0.903 4.381 4.361 751 HG21 VAL 95 1HG2 VAL 95 2.100 4.018 2.170 752 HG22 VAL 95 2HG2 VAL 95 2.605 5.511 1.329 753 HG23 VAL 95 3HG2 VAL 95 0.962 4.872 1.054 754 H ASP 96 H ASP 96 2.529 8.326 1.965 755 HA ASP 96 HA ASP 96 3.549 7.439 -0.683 756 HB2 ASP 96 1HB ASP 96 2.796 10.248 -0.066 757 HB3 ASP 96 2HB ASP 96 4.464 10.050 -0.600 758 H LEU 97 H LEU 97 4.214 6.251 1.054 759 HA LEU 97 HA LEU 97 5.200 5.630 2.597 760 HB2 LEU 97 1HB LEU 97 7.754 5.707 1.139 761 HB3 LEU 97 2HB LEU 97 6.932 4.721 2.176 762 HG LEU 97 HG LEU 97 5.158 5.112 0.168 763 HD11 LEU 97 1HD1 LEU 97 7.307 5.790 -1.038 764 HD12 LEU 97 2HD1 LEU 97 6.595 4.277 -1.648 765 HD13 LEU 97 3HD1 LEU 97 7.948 4.225 -0.536 766 HD21 LEU 97 1HD2 LEU 97 5.712 2.820 -0.008 767 HD22 LEU 97 2HD2 LEU 97 5.472 3.339 1.720 768 HD23 LEU 97 3HD2 LEU 97 7.147 3.391 0.901 769 H ASP 98 H ASP 98 5.906 8.776 2.668 770 HA ASP 98 HA ASP 98 7.138 8.754 5.219 771 HB2 ASP 98 1HB ASP 98 6.065 10.669 3.213 772 HB3 ASP 98 2HB ASP 98 6.196 11.323 4.807 773 H GLY 99 H GLY 99 4.252 8.636 3.553 774 HA2 GLY 99 1HA GLY 99 2.387 7.597 4.526 775 HA3 GLY 99 2HA GLY 99 2.772 8.222 5.983 776 H ASN 100 H ASN 100 2.497 10.055 2.903 777 HA ASN 100 HA ASN 100 0.516 12.007 3.776 778 HB2 ASN 100 1HB ASN 100 2.522 11.368 1.708 779 HB3 ASN 100 2HB ASN 100 1.400 12.544 1.265 780 HD21 ASN 100 1HD2 ASN 100 4.272 13.930 2.574 781 HD22 ASN 100 2HD2 ASN 100 4.125 12.619 1.462 782 HA PRO 101 HA PRO 101 -2.404 9.172 1.946 783 HB2 PRO 101 2HB PRO 101 -4.045 11.558 1.340 784 HB3 PRO 101 1HB PRO 101 -4.287 10.234 2.405 785 HG2 PRO 101 2HG PRO 101 -3.603 12.616 3.484 786 HG3 PRO 101 1HG PRO 101 -2.708 11.168 4.078 787 HD2 PRO 101 2HD PRO 101 -2.199 12.689 1.737 788 HD3 PRO 101 1HD PRO 101 -1.041 12.938 2.927 789 H CYS 102 H CYS 102 -0.708 9.156 0.216 790 HA CYS 102 HA CYS 102 0.275 9.733 -1.710 791 HB2 CYS 102 2HB CYS 102 -0.822 8.529 -3.121 792 HB3 CYS 102 1HB CYS 102 -2.390 8.683 -2.560 793 HG CYS 102 HG CYS 102 -3.167 10.117 -4.504 794 H GLY 103 H GLY 103 -1.052 11.596 -0.034 795 HA2 GLY 103 1HA GLY 103 -0.717 13.871 0.613 796 HA3 GLY 103 2HA GLY 103 0.130 14.057 -0.907 797 H GLU 104 H GLU 104 -2.508 12.594 -1.205 798 HA GLU 104 HA GLU 104 -3.800 14.526 -2.814 799 HB2 GLU 104 1HB GLU 104 -3.934 12.549 -3.957 800 HB3 GLU 104 2HB GLU 104 -3.469 11.740 -2.456 801 HG2 GLU 104 1HG GLU 104 -5.354 11.261 -1.789 802 HG3 GLU 104 2HG GLU 104 -6.265 12.468 -2.775 803 H LEU 105 H LEU 105 -4.603 12.682 0.244 804 HA LEU 105 HA LEU 105 -6.888 14.502 0.484 805 HB2 LEU 105 1HB LEU 105 -7.325 12.034 -0.613 806 HB3 LEU 105 2HB LEU 105 -7.127 11.649 0.964 807 HG LEU 105 HG LEU 105 -9.043 13.864 0.614 808 HD11 LEU 105 1HD1 LEU 105 -10.094 12.675 -1.031 809 HD12 LEU 105 2HD1 LEU 105 -10.631 11.691 0.448 810 HD13 LEU 105 3HD1 LEU 105 -9.185 11.259 -0.507 811 HD21 LEU 105 1HD2 LEU 105 -9.301 13.318 2.557 812 HD22 LEU 105 2HD2 LEU 105 -8.079 12.138 2.353 813 HD23 LEU 105 3HD2 LEU 105 -9.823 11.655 2.146 814 H ASP 106 H ASP 106 -7.823 14.463 2.392 815 HA ASP 106 HA ASP 106 -6.457 14.528 4.945 816 HB2 ASP 106 1HB ASP 106 -8.277 16.145 4.440 817 HB3 ASP 106 2HB ASP 106 -9.115 14.940 3.557 818 H GLU 107 H GLU 107 -8.617 13.190 6.149 819 HA GLU 107 HA GLU 107 -8.822 10.554 4.860 820 HB2 GLU 107 1HB GLU 107 -7.851 9.383 6.523 821 HB3 GLU 107 2HB GLU 107 -7.258 11.044 6.817 822 HG2 GLU 107 1HG GLU 107 -8.724 11.474 8.462 823 HG3 GLU 107 2HG GLU 107 -9.721 10.099 8.077 824 H GLN 108 H GLN 108 -10.556 12.959 5.879 825 HA GLN 108 HA GLN 108 -12.944 11.356 6.465 826 HB2 GLN 108 1HB GLN 108 -12.101 13.408 7.897 827 HB3 GLN 108 2HB GLN 108 -12.649 14.256 6.442 828 HG2 GLN 108 1HG GLN 108 -14.818 13.484 6.644 829 HG3 GLN 108 2HG GLN 108 -14.279 12.260 7.807 830 HE21 GLN 108 1HE2 GLN 108 -13.813 15.211 10.174 831 HE22 GLN 108 2HE2 GLN 108 -12.688 14.191 9.348 832 H HIS 109 H HIS 109 -11.066 12.187 4.069 833 HA HIS 109 HA HIS 109 -13.531 12.004 2.634 834 HB2 HIS 109 1HB HIS 109 -11.006 13.003 1.927 835 HB3 HIS 109 2HB HIS 109 -12.362 13.199 0.755 836 HD1 HIS 109 HD1 HIS 109 -14.235 14.350 3.326 837 HD2 HIS 109 HD2 HIS 109 -10.606 15.906 2.019 838 HE1 HIS 109 HE1 HIS 109 -14.169 16.692 4.175 839 HE2 HIS 109 HE2 HIS 109 -11.783 17.310 3.825 840 H VAL 110 H VAL 110 -10.687 10.745 3.257 841 HA VAL 110 HA VAL 110 -11.318 9.032 1.256 842 HB VAL 110 HB VAL 110 -9.324 7.589 2.029 843 HG11 VAL 110 1HG1 VAL 110 -9.738 8.949 0.103 844 HG12 VAL 110 2HG1 VAL 110 -8.059 9.342 0.618 845 HG13 VAL 110 3HG1 VAL 110 -9.448 10.357 1.095 846 HG21 VAL 110 1HG2 VAL 110 -9.083 8.807 4.133 847 HG22 VAL 110 2HG2 VAL 110 -8.888 10.271 3.097 848 HG23 VAL 110 3HG2 VAL 110 -7.647 9.012 3.076 849 H GLU 111 H GLU 111 -12.178 9.642 3.669 850 HA GLU 111 HA GLU 111 -13.009 7.513 5.312 851 HB2 GLU 111 1HB GLU 111 -13.037 9.786 5.762 852 HB3 GLU 111 2HB GLU 111 -14.116 10.375 4.916 853 HG2 GLU 111 1HG GLU 111 -14.796 7.977 6.346 854 HG3 GLU 111 2HG GLU 111 -15.016 9.531 7.264 855 H HIS 112 H HIS 112 -13.980 8.949 2.360 856 HA HIS 112 HA HIS 112 -16.175 7.211 2.170 857 HB2 HIS 112 1HB HIS 112 -14.828 8.962 0.395 858 HB3 HIS 112 2HB HIS 112 -16.371 8.244 -0.167 859 HD1 HIS 112 HD1 HIS 112 -18.596 9.282 0.881 860 HD2 HIS 112 HD2 HIS 112 -15.118 10.836 2.477 861 HE1 HIS 112 HE1 HIS 112 -19.346 11.069 2.473 862 HE2 HIS 112 HE2 HIS 112 -17.230 11.286 3.785 863 H ALA 113 H ALA 113 -13.072 6.986 1.638 864 HA ALA 113 HA ALA 113 -13.220 5.090 -0.343 865 HB1 ALA 113 1HB ALA 113 -11.640 6.865 0.478 866 HB2 ALA 113 2HB ALA 113 -11.051 5.365 -0.407 867 HB3 ALA 113 3HB ALA 113 -11.056 5.460 1.422 868 H ARG 114 H ARG 114 -12.853 5.547 2.952 869 HA ARG 114 HA ARG 114 -12.276 3.138 3.825 870 HB2 ARG 114 1HB ARG 114 -12.350 5.236 5.160 871 HB3 ARG 114 2HB ARG 114 -14.052 5.231 4.981 872 HG2 ARG 114 1HG ARG 114 -14.102 2.952 6.155 873 HG3 ARG 114 2HG ARG 114 -12.507 3.415 6.757 874 HD2 ARG 114 1HD ARG 114 -14.355 4.044 8.298 875 HD3 ARG 114 2HD ARG 114 -13.409 5.426 7.745 876 HE ARG 114 HE ARG 114 -15.288 6.267 6.717 877 HH11 ARG 114 1HH1 ARG 114 -15.989 2.815 7.304 878 HH12 ARG 114 2HH1 ARG 114 -17.613 2.956 6.824 879 HH21 ARG 114 1HH2 ARG 114 -17.486 6.432 6.115 880 HH22 ARG 114 2HH2 ARG 114 -18.482 5.030 6.182 881 H LYS 115 H LYS 115 -15.170 4.533 2.356 882 HA LYS 115 HA LYS 115 -16.916 2.652 3.529 883 HB2 LYS 115 1HB LYS 115 -18.532 4.374 3.567 884 HB3 LYS 115 2HB LYS 115 -16.984 5.230 3.645 885 HG2 LYS 115 1HG LYS 115 -17.831 6.543 2.146 886 HG3 LYS 115 2HG LYS 115 -17.356 5.259 1.002 887 HD2 LYS 115 1HD LYS 115 -20.068 5.695 2.295 888 HD3 LYS 115 2HD LYS 115 -19.630 6.212 0.669 889 HE2 LYS 115 1HE LYS 115 -20.421 4.207 0.008 890 HE3 LYS 115 2HE LYS 115 -18.867 3.691 0.714 891 HZ1 LYS 115 1HZ LYS 115 -19.983 3.013 2.763 892 HZ2 LYS 115 2HZ LYS 115 -20.761 2.365 1.394 893 HZ3 LYS 115 3HZ LYS 115 -21.457 3.640 2.183 894 H GLN 116 H GLN 116 -15.278 3.718 0.604 895 HA GLN 116 HA GLN 116 -17.066 2.477 -0.786 896 HB2 GLN 116 1HB GLN 116 -15.425 2.339 -2.753 897 HB3 GLN 116 2HB GLN 116 -15.719 3.917 -2.034 898 HG2 GLN 116 1HG GLN 116 -13.509 4.000 -2.103 899 HG3 GLN 116 2HG GLN 116 -13.785 3.193 -0.533 900 HE21 GLN 116 1HE2 GLN 116 -12.325 0.126 -1.621 901 HE22 GLN 116 2HE2 GLN 116 -13.411 0.830 -0.511 902 H LEU 117 H LEU 117 -14.853 0.964 1.183 903 HA LEU 117 HA LEU 117 -15.146 -1.651 0.076 904 HB2 LEU 117 1HB LEU 117 -13.342 -1.592 0.997 905 HB3 LEU 117 2HB LEU 117 -13.208 -0.717 2.332 906 HG LEU 117 HG LEU 117 -15.213 -2.704 2.451 907 HD11 LEU 117 1HD1 LEU 117 -12.459 -3.090 1.775 908 HD12 LEU 117 2HD1 LEU 117 -13.902 -3.592 0.803 909 HD13 LEU 117 3HD1 LEU 117 -13.368 -4.572 2.185 910 HD21 LEU 117 1HD2 LEU 117 -12.730 -2.234 4.122 911 HD22 LEU 117 2HD2 LEU 117 -13.952 -3.450 4.478 912 HD23 LEU 117 3HD2 LEU 117 -14.381 -1.741 4.495 913 H GLU 118 H GLU 118 -17.154 0.400 1.988 914 HA GLU 118 HA GLU 118 -18.528 -1.831 2.945 915 HB2 GLU 118 1HB GLU 118 -19.449 1.011 2.665 916 HB3 GLU 118 2HB GLU 118 -20.192 -0.229 3.657 917 HG2 GLU 118 1HG GLU 118 -18.421 -0.182 5.201 918 HG3 GLU 118 2HG GLU 118 -17.413 0.791 4.128 919 H GLU 119 H GLU 119 -18.095 -0.442 0.272 920 HA GLU 119 HA GLU 119 -20.664 -0.750 -0.805 921 HB2 GLU 119 1HB GLU 119 -18.065 -0.071 -2.032 922 HB3 GLU 119 2HB GLU 119 -19.585 -0.019 -2.995 923 HG2 GLU 119 1HG GLU 119 -18.880 1.291 -0.516 924 HG3 GLU 119 2HG GLU 119 -18.909 2.205 -2.069 925 H ALA 120 H ALA 120 -17.477 -1.888 -1.085 926 HA ALA 120 HA ALA 120 -17.712 -4.231 -2.601 927 HB1 ALA 120 1HB ALA 120 -15.775 -2.753 -1.941 928 HB2 ALA 120 2HB ALA 120 -15.589 -4.506 -2.072 929 HB3 ALA 120 3HB ALA 120 -15.792 -3.726 -0.456 930 H LYS 121 H LYS 121 -17.643 -3.783 0.696 931 HA LYS 121 HA LYS 121 -18.256 -6.313 1.642 932 HB2 LYS 121 1HB LYS 121 -18.307 -3.605 2.303 933 HB3 LYS 121 2HB LYS 121 -19.394 -4.672 3.348 934 HG2 LYS 121 1HG LYS 121 -17.413 -5.748 3.686 935 HG3 LYS 121 2HG LYS 121 -16.568 -4.651 2.620 936 HD2 LYS 121 1HD LYS 121 -16.218 -3.950 5.038 937 HD3 LYS 121 2HD LYS 121 -16.896 -2.885 3.774 938 HE2 LYS 121 1HE LYS 121 -18.163 -2.528 5.843 939 HE3 LYS 121 2HE LYS 121 -19.018 -3.320 4.489 940 HZ1 LYS 121 1HZ LYS 121 -18.895 -5.427 5.597 941 HZ2 LYS 121 2HZ LYS 121 -19.498 -4.322 6.731 942 HZ3 LYS 121 3HZ LYS 121 -17.883 -4.800 6.803 943 H ALA 122 H ALA 122 -20.360 -3.831 1.366 944 HA ALA 122 HA ALA 122 -22.559 -5.248 1.648 945 HB1 ALA 122 1HB ALA 122 -23.760 -3.480 0.814 946 HB2 ALA 122 2HB ALA 122 -22.320 -3.108 -0.212 947 HB3 ALA 122 3HB ALA 122 -22.185 -2.976 1.571 948 H ARG 123 H ARG 123 -20.458 -5.436 -1.114 949 HA ARG 123 HA ARG 123 -22.482 -5.963 -2.890 950 HB2 ARG 123 1HB ARG 123 -20.882 -5.339 -4.404 951 HB3 ARG 123 2HB ARG 123 -19.856 -5.147 -2.948 952 HG2 ARG 123 1HG ARG 123 -19.400 -7.500 -3.101 953 HG3 ARG 123 2HG ARG 123 -19.996 -7.536 -4.784 954 HD2 ARG 123 1HD ARG 123 -18.254 -5.652 -5.141 955 HD3 ARG 123 2HD ARG 123 -17.744 -6.129 -3.494 956 HE ARG 123 HE ARG 123 -17.684 -7.928 -5.833 957 HH11 ARG 123 1HH1 ARG 123 -16.123 -6.884 -2.769 958 HH12 ARG 123 2HH1 ARG 123 -15.026 -8.213 -2.815 959 HH21 ARG 123 1HH2 ARG 123 -15.987 -9.702 -5.749 960 HH22 ARG 123 2HH2 ARG 123 -14.966 -9.669 -4.365 961 H VAL 124 H VAL 124 -20.523 -7.240 -0.737 962 HA VAL 124 HA VAL 124 -20.141 -9.765 -2.001 963 HB VAL 124 HB VAL 124 -19.129 -8.684 0.534 964 HG11 VAL 124 1HG1 VAL 124 -17.543 -10.614 0.439 965 HG12 VAL 124 2HG1 VAL 124 -18.538 -11.203 -0.940 966 HG13 VAL 124 3HG1 VAL 124 -19.266 -10.991 0.677 967 HG21 VAL 124 1HG2 VAL 124 -16.974 -8.646 -0.580 968 HG22 VAL 124 2HG2 VAL 124 -18.226 -7.553 -1.171 969 HG23 VAL 124 3HG2 VAL 124 -17.818 -9.012 -2.110 970 H GLN 125 H GLN 125 -20.735 -8.453 0.846 971 HA GLN 125 HA GLN 125 -21.614 -9.001 2.772 972 HB2 GLN 125 1HB GLN 125 -22.316 -8.115 0.963 973 HB3 GLN 125 2HB GLN 125 -22.848 -7.465 1.907 974 HG2 GLN 125 1HG GLN 125 -24.348 -7.712 -0.029 975 HG3 GLN 125 2HG GLN 125 -23.487 -9.258 -0.225 976 HE21 GLN 125 1HE2 GLN 125 -26.728 -10.574 -0.059 977 HE22 GLN 125 2HE2 GLN 125 -25.427 -10.050 -1.087 978 H ALA 126 H ALA 126 -24.304 -10.448 3.000 979 HA ALA 126 HA ALA 126 -25.150 -12.579 3.299 980 HB1 ALA 126 1HB ALA 126 -25.790 -12.491 1.341 981 HB2 ALA 126 2HB ALA 126 -24.556 -13.723 0.889 982 HB3 ALA 126 3HB ALA 126 -24.272 -11.943 0.674 983 H GLN 127 H GLN 127 -23.811 -15.091 1.747 984 HA GLN 127 HA GLN 127 -21.850 -15.868 3.319 985 HB2 GLN 127 1HB GLN 127 -23.592 -16.718 1.406 986 HB3 GLN 127 2HB GLN 127 -22.102 -16.569 0.492 987 HG2 GLN 127 1HG GLN 127 -22.408 -17.741 3.031 988 HG3 GLN 127 2HG GLN 127 -22.716 -18.790 1.641 989 HE21 GLN 127 1HE2 GLN 127 -19.313 -19.319 0.721 990 HE22 GLN 127 2HE2 GLN 127 -20.915 -19.323 0.226 991 H ARG 128 H ARG 128 -19.963 -14.817 3.364 992 HA ARG 128 HA ARG 128 -18.882 -12.841 2.217 993 HB2 ARG 128 1HB ARG 128 -17.804 -15.198 3.493 994 HB3 ARG 128 2HB ARG 128 -16.858 -14.110 2.430 995 HG2 ARG 128 1HG ARG 128 -18.529 -12.877 4.523 996 HG3 ARG 128 2HG ARG 128 -16.973 -13.577 5.085 997 HD2 ARG 128 1HD ARG 128 -17.626 -11.547 3.058 998 HD3 ARG 128 2HD ARG 128 -16.778 -11.231 4.575 999 HE ARG 128 HE ARG 128 -15.099 -12.951 3.422 1000 HH11 ARG 128 1HH1 ARG 128 -16.637 -10.097 1.964 1001 HH12 ARG 128 2HH1 ARG 128 -15.375 -9.959 0.792 1002 HH21 ARG 128 1HH2 ARG 128 -13.441 -12.589 1.794 1003 HH22 ARG 128 2HH2 ARG 128 -13.666 -11.245 0.718 1004 H ALA 129 H ALA 129 -19.571 -14.760 0.174 1005 HA ALA 129 HA ALA 129 -17.511 -16.016 -0.924 1006 HB1 ALA 129 1HB ALA 129 -19.830 -16.639 -1.128 1007 HB2 ALA 129 2HB ALA 129 -18.722 -16.873 -2.473 1008 HB3 ALA 129 3HB ALA 129 -19.929 -15.553 -2.554 1009 H GLU 130 H GLU 130 -15.884 -15.338 -1.854 1010 HA GLU 130 HA GLU 130 -15.837 -14.293 -4.297 1011 HB2 GLU 130 1HB GLU 130 -14.484 -12.182 -3.914 1012 HB3 GLU 130 2HB GLU 130 -16.148 -12.053 -3.378 1013 HG2 GLU 130 1HG GLU 130 -15.506 -12.320 -1.114 1014 HG3 GLU 130 2HG GLU 130 -13.844 -12.671 -1.565 1015 H GLN 131 H GLN 131 -14.283 -14.916 -1.288 1016 HA GLN 131 HA GLN 131 -12.286 -16.475 -2.748 1017 HB2 GLN 131 1HB GLN 131 -10.888 -16.238 -0.553 1018 HB3 GLN 131 2HB GLN 131 -10.909 -14.911 -1.689 1019 HG2 GLN 131 1HG GLN 131 -11.017 -14.052 0.555 1020 HG3 GLN 131 2HG GLN 131 -12.535 -13.731 -0.251 1021 HE21 GLN 131 1HE2 GLN 131 -12.881 -16.775 2.416 1022 HE22 GLN 131 2HE2 GLN 131 -11.701 -16.861 1.174 1023 H GLN 132 H GLN 132 -14.941 -17.165 -1.959 1024 HA GLN 132 HA GLN 132 -14.583 -19.044 0.207 1025 HB2 GLN 132 1HB GLN 132 -16.954 -17.682 -0.898 1026 HB3 GLN 132 2HB GLN 132 -17.094 -18.955 0.298 1027 HG2 GLN 132 1HG GLN 132 -15.556 -16.489 0.632 1028 HG3 GLN 132 2HG GLN 132 -17.225 -16.628 1.190 1029 HE21 GLN 132 1HE2 GLN 132 -16.447 -18.608 3.989 1030 HE22 GLN 132 2HE2 GLN 132 -17.691 -18.106 2.901 1031 H ALA 133 H ALA 133 -16.606 -20.757 -0.173 1032 HA ALA 133 HA ALA 133 -16.893 -21.473 -2.940 1033 HB1 ALA 133 1HB ALA 133 -15.638 -23.195 -1.752 1034 HB2 ALA 133 2HB ALA 133 -17.291 -23.750 -2.027 1035 HB3 ALA 133 3HB ALA 133 -16.806 -23.175 -0.425 Start of MODEL 14 1 H1 MET 1 1H MET 1 6.646 -2.260 33.495 2 H2 MET 1 2H MET 1 6.977 -3.067 32.076 3 H3 MET 1 3H MET 1 5.853 -3.744 33.176 4 HA MET 1 HA MET 1 4.744 -2.698 31.298 5 HB2 MET 1 1HB MET 1 4.544 -0.944 33.777 6 HB3 MET 1 2HB MET 1 3.354 -1.037 32.488 7 HG2 MET 1 1HG MET 1 4.063 -3.158 34.495 8 HG3 MET 1 2HG MET 1 2.531 -2.301 34.315 9 HE1 MET 1 1HE MET 1 1.134 -4.543 34.288 10 HE2 MET 1 2HE MET 1 2.627 -5.441 34.554 11 HE3 MET 1 3HE MET 1 1.527 -5.924 33.263 12 H GLY 2 H GLY 2 4.672 -0.985 29.801 13 HA2 GLY 2 1HA GLY 2 5.561 0.752 28.590 14 HA3 GLY 2 2HA GLY 2 6.149 1.419 30.113 15 H SER 3 H SER 3 6.966 -1.762 29.159 16 HA SER 3 HA SER 3 9.752 -1.081 29.325 17 HB2 SER 3 1HB SER 3 8.391 -3.777 29.171 18 HB3 SER 3 2HB SER 3 10.036 -3.436 29.726 19 HG SER 3 HG SER 3 9.066 -2.095 31.333 20 H SER 4 H SER 4 10.294 -0.220 27.411 21 HA SER 4 HA SER 4 11.030 -0.109 25.283 22 HB2 SER 4 1HB SER 4 10.367 -3.074 25.131 23 HB3 SER 4 2HB SER 4 11.352 -2.182 23.971 24 HG SER 4 HG SER 4 12.006 -2.159 26.694 25 H HIS 5 H HIS 5 10.135 -0.867 22.881 26 HA HIS 5 HA HIS 5 7.207 -0.750 22.929 27 HB2 HIS 5 1HB HIS 5 8.996 1.092 21.308 28 HB3 HIS 5 2HB HIS 5 7.298 0.839 20.914 29 HD1 HIS 5 HD1 HIS 5 9.360 3.158 22.679 30 HD2 HIS 5 HD2 HIS 5 5.637 1.439 23.413 31 HE1 HIS 5 HE1 HIS 5 8.248 4.646 24.360 32 HE2 HIS 5 HE2 HIS 5 6.113 3.454 24.952 33 H HIS 6 H HIS 6 9.495 -2.550 22.398 34 HA HIS 6 HA HIS 6 8.458 -4.571 21.173 35 HB2 HIS 6 1HB HIS 6 9.438 -4.741 18.840 36 HB3 HIS 6 2HB HIS 6 8.183 -3.533 18.949 37 HD1 HIS 6 HD1 HIS 6 8.737 -1.323 17.932 38 HD2 HIS 6 HD2 HIS 6 12.162 -3.572 18.663 39 HE1 HIS 6 HE1 HIS 6 10.610 -0.095 16.790 40 HE2 HIS 6 HE2 HIS 6 12.577 -1.632 17.000 41 H HIS 7 H HIS 7 9.708 -6.174 21.802 42 HA HIS 7 HA HIS 7 12.192 -5.546 23.016 43 HB2 HIS 7 1HB HIS 7 10.738 -7.433 23.788 44 HB3 HIS 7 2HB HIS 7 11.150 -8.312 22.321 45 HD1 HIS 7 HD1 HIS 7 12.977 -9.985 22.676 46 HD2 HIS 7 HD2 HIS 7 13.296 -6.760 25.292 47 HE1 HIS 7 HE1 HIS 7 14.961 -10.486 24.129 48 HE2 HIS 7 HE2 HIS 7 15.245 -8.426 25.554 49 H HIS 8 H HIS 8 11.327 -6.686 19.855 50 HA HIS 8 HA HIS 8 13.757 -5.796 18.791 51 HB2 HIS 8 1HB HIS 8 14.160 -8.292 19.686 52 HB3 HIS 8 2HB HIS 8 13.252 -8.716 18.238 53 HD1 HIS 8 HD1 HIS 8 14.443 -8.225 15.895 54 HD2 HIS 8 HD2 HIS 8 16.752 -7.382 19.266 55 HE1 HIS 8 HE1 HIS 8 16.758 -7.943 15.069 56 HE2 HIS 8 HE2 HIS 8 18.171 -7.644 17.118 57 H HIS 9 H HIS 9 13.433 -5.549 16.554 58 HA HIS 9 HA HIS 9 11.847 -6.686 14.761 59 HB2 HIS 9 1HB HIS 9 10.270 -4.607 16.309 60 HB3 HIS 9 2HB HIS 9 10.131 -4.608 14.562 61 HD1 HIS 9 HD1 HIS 9 7.555 -5.093 15.958 62 HD2 HIS 9 HD2 HIS 9 10.162 -8.216 15.085 63 HE1 HIS 9 HE1 HIS 9 6.196 -7.168 16.140 64 HE2 HIS 9 HE2 HIS 9 7.661 -8.849 15.066 65 H HIS 10 H HIS 10 11.530 -5.029 12.922 66 HA HIS 10 HA HIS 10 13.894 -3.279 12.965 67 HB2 HIS 10 1HB HIS 10 12.196 -4.241 10.603 68 HB3 HIS 10 2HB HIS 10 13.637 -3.238 10.465 69 HD1 HIS 10 HD1 HIS 10 13.885 -5.814 8.875 70 HD2 HIS 10 HD2 HIS 10 14.774 -5.614 12.946 71 HE1 HIS 10 HE1 HIS 10 15.273 -7.793 9.367 72 HE2 HIS 10 HE2 HIS 10 15.320 -7.822 11.918 73 H SER 11 H SER 11 10.516 -3.503 12.324 74 HA SER 11 HA SER 11 9.791 -0.748 13.186 75 HB2 SER 11 1HB SER 11 8.473 -0.518 11.212 76 HB3 SER 11 2HB SER 11 10.144 -0.632 10.650 77 HG SER 11 HG SER 11 8.676 -2.024 9.433 78 H GLN 12 H GLN 12 7.915 -2.624 11.664 79 HA GLN 12 HA GLN 12 6.655 -3.518 14.118 80 HB2 GLN 12 1HB GLN 12 5.296 -1.709 12.109 81 HB3 GLN 12 2HB GLN 12 4.637 -2.378 13.608 82 HG2 GLN 12 1HG GLN 12 6.112 -1.091 14.940 83 HG3 GLN 12 2HG GLN 12 7.034 -0.498 13.561 84 HE21 GLN 12 1HE2 GLN 12 4.555 1.974 12.838 85 HE22 GLN 12 2HE2 GLN 12 5.864 1.046 12.199 86 H ASP 13 H ASP 13 8.062 -4.730 12.094 87 HA ASP 13 HA ASP 13 6.586 -5.929 10.113 88 HB2 ASP 13 1HB ASP 13 8.659 -7.186 10.187 89 HB3 ASP 13 2HB ASP 13 8.931 -5.464 9.898 90 HA PRO 14 HA PRO 14 5.187 -9.329 12.578 91 HB2 PRO 14 2HB PRO 14 6.199 -11.484 10.930 92 HB3 PRO 14 1HB PRO 14 4.554 -10.825 10.977 93 HG2 PRO 14 2HG PRO 14 6.203 -10.559 8.836 94 HG3 PRO 14 1HG PRO 14 4.893 -9.431 9.232 95 HD2 PRO 14 2HD PRO 14 7.815 -9.167 9.740 96 HD3 PRO 14 1HD PRO 14 6.681 -7.915 9.215 97 H MET 15 H MET 15 8.102 -10.952 11.294 98 HA MET 15 HA MET 15 9.067 -11.172 13.885 99 HB2 MET 15 1HB MET 15 8.468 -13.423 11.989 100 HB3 MET 15 2HB MET 15 9.557 -13.647 13.395 101 HG2 MET 15 1HG MET 15 6.792 -12.768 13.208 102 HG3 MET 15 2HG MET 15 7.309 -14.428 13.353 103 HE1 MET 15 1HE MET 15 5.794 -13.541 16.989 104 HE2 MET 15 2HE MET 15 5.679 -14.630 15.606 105 HE3 MET 15 3HE MET 15 5.228 -12.933 15.433 106 H GLU 16 H GLU 16 10.128 -9.386 12.402 107 HA GLU 16 HA GLU 16 12.169 -8.629 11.834 108 HB2 GLU 16 1HB GLU 16 13.006 -11.528 11.720 109 HB3 GLU 16 2HB GLU 16 14.087 -10.177 11.439 110 HG2 GLU 16 1HG GLU 16 12.593 -10.670 14.000 111 HG3 GLU 16 2HG GLU 16 14.256 -11.163 13.697 112 H ASN 17 H ASN 17 11.105 -11.373 9.980 113 HA ASN 17 HA ASN 17 11.157 -11.983 7.821 114 HB2 ASN 17 1HB ASN 17 9.962 -9.729 7.390 115 HB3 ASN 17 2HB ASN 17 11.572 -9.184 7.380 116 HD21 ASN 17 1HD2 ASN 17 10.374 -11.175 4.010 117 HD22 ASN 17 2HD2 ASN 17 9.456 -11.402 5.417 118 H GLN 18 H GLN 18 12.893 -12.889 8.364 119 HA GLN 18 HA GLN 18 15.457 -11.854 8.018 120 HB2 GLN 18 1HB GLN 18 14.113 -14.205 8.872 121 HB3 GLN 18 2HB GLN 18 15.612 -14.606 8.127 122 HG2 GLN 18 1HG GLN 18 14.986 -12.815 10.489 123 HG3 GLN 18 2HG GLN 18 15.883 -14.336 10.571 124 HE21 GLN 18 1HE2 GLN 18 18.948 -12.875 9.724 125 HE22 GLN 18 2HE2 GLN 18 18.058 -14.352 9.885 126 HA PRO 19 HA PRO 19 15.572 -14.070 3.834 127 HB2 PRO 19 2HB PRO 19 12.940 -15.376 3.544 128 HB3 PRO 19 1HB PRO 19 14.545 -16.075 3.146 129 HG2 PRO 19 2HG PRO 19 13.103 -16.915 5.193 130 HG3 PRO 19 1HG PRO 19 14.868 -16.760 5.313 131 HD2 PRO 19 2HD PRO 19 12.788 -14.932 6.470 132 HD3 PRO 19 1HD PRO 19 14.330 -15.486 7.086 133 H LYS 20 H LYS 20 15.461 -12.502 2.467 134 HA LYS 20 HA LYS 20 13.784 -10.531 2.364 135 HB2 LYS 20 1HB LYS 20 15.773 -11.669 0.566 136 HB3 LYS 20 2HB LYS 20 15.111 -10.041 0.552 137 HG2 LYS 20 1HG LYS 20 16.586 -11.221 2.822 138 HG3 LYS 20 2HG LYS 20 17.286 -10.028 1.715 139 HD2 LYS 20 1HD LYS 20 16.424 -8.393 3.239 140 HD3 LYS 20 2HD LYS 20 14.986 -9.058 2.405 141 HE2 LYS 20 1HE LYS 20 14.176 -10.175 4.057 142 HE3 LYS 20 2HE LYS 20 15.667 -10.525 4.874 143 HZ1 LYS 20 1HZ LYS 20 13.997 -7.940 4.931 144 HZ2 LYS 20 2HZ LYS 20 15.467 -8.052 5.711 145 HZ3 LYS 20 3HZ LYS 20 14.204 -9.062 6.126 146 H LEU 21 H LEU 21 13.696 -9.897 -0.210 147 HA LEU 21 HA LEU 21 11.085 -9.972 -0.343 148 HB2 LEU 21 1HB LEU 21 13.309 -9.127 -2.026 149 HB3 LEU 21 2HB LEU 21 11.809 -8.369 -2.212 150 HG LEU 21 HG LEU 21 14.025 -7.910 -0.684 151 HD11 LEU 21 1HD1 LEU 21 11.580 -6.678 -0.317 152 HD12 LEU 21 2HD1 LEU 21 12.409 -6.715 -2.001 153 HD13 LEU 21 3HD1 LEU 21 13.157 -5.880 -0.558 154 HD21 LEU 21 1HD2 LEU 21 12.991 -8.940 1.100 155 HD22 LEU 21 2HD2 LEU 21 11.525 -8.031 0.565 156 HD23 LEU 21 3HD2 LEU 21 12.962 -7.125 1.276 157 H ASN 22 H ASN 22 13.281 -10.938 -2.882 158 HA ASN 22 HA ASN 22 13.297 -12.551 -4.346 159 HB2 ASN 22 1HB ASN 22 11.462 -13.539 -2.305 160 HB3 ASN 22 2HB ASN 22 12.167 -14.678 -3.492 161 HD21 ASN 22 1HD2 ASN 22 13.914 -14.265 -0.360 162 HD22 ASN 22 2HD2 ASN 22 12.247 -14.458 -0.673 163 H SER 23 H SER 23 11.226 -10.452 -4.211 164 HA SER 23 HA SER 23 10.513 -9.470 -6.045 165 HB2 SER 23 1HB SER 23 9.888 -10.421 -8.212 166 HB3 SER 23 2HB SER 23 11.409 -11.047 -7.625 167 HG SER 23 HG SER 23 10.133 -12.872 -6.806 168 H SER 24 H SER 24 8.570 -10.800 -3.899 169 HA SER 24 HA SER 24 6.665 -8.853 -4.739 170 HB2 SER 24 1HB SER 24 4.684 -10.389 -4.853 171 HB3 SER 24 2HB SER 24 5.813 -10.520 -6.203 172 HG SER 24 HG SER 24 6.215 -12.495 -5.673 173 H LYS 25 H LYS 25 5.788 -11.695 -2.754 174 HA LYS 25 HA LYS 25 4.312 -10.401 -0.938 175 HB2 LYS 25 1HB LYS 25 4.472 -12.692 -1.692 176 HB3 LYS 25 2HB LYS 25 6.016 -12.780 -0.945 177 HG2 LYS 25 1HG LYS 25 4.326 -13.697 0.366 178 HG3 LYS 25 2HG LYS 25 5.271 -12.317 1.033 179 HD2 LYS 25 1HD LYS 25 3.584 -10.785 0.818 180 HD3 LYS 25 2HD LYS 25 2.816 -12.056 -0.198 181 HE2 LYS 25 1HE LYS 25 1.706 -11.823 2.015 182 HE3 LYS 25 2HE LYS 25 2.498 -13.330 1.440 183 HZ1 LYS 25 1HZ LYS 25 3.684 -11.411 3.450 184 HZ2 LYS 25 2HZ LYS 25 4.484 -12.709 2.896 185 HZ3 LYS 25 3HZ LYS 25 3.133 -12.939 3.885 186 H GLU 26 H GLU 26 7.444 -11.742 -0.494 187 HA GLU 26 HA GLU 26 7.475 -10.492 1.951 188 HB2 GLU 26 1HB GLU 26 9.658 -12.106 0.688 189 HB3 GLU 26 2HB GLU 26 9.779 -11.445 2.313 190 HG2 GLU 26 1HG GLU 26 7.774 -13.456 1.300 191 HG3 GLU 26 2HG GLU 26 9.029 -13.706 2.509 192 H VAL 27 H VAL 27 7.924 -8.980 -0.823 193 HA VAL 27 HA VAL 27 9.916 -7.100 0.263 194 HB VAL 27 HB VAL 27 10.388 -6.442 -1.735 195 HG11 VAL 27 1HG1 VAL 27 8.523 -8.400 -2.715 196 HG12 VAL 27 2HG1 VAL 27 10.087 -8.656 -1.864 197 HG13 VAL 27 3HG1 VAL 27 10.089 -7.787 -3.474 198 HG21 VAL 27 1HG2 VAL 27 8.928 -5.543 -3.256 199 HG22 VAL 27 2HG2 VAL 27 8.450 -5.197 -1.529 200 HG23 VAL 27 3HG2 VAL 27 7.576 -6.435 -2.483 201 H ILE 28 H ILE 28 6.357 -7.534 0.063 202 HA ILE 28 HA ILE 28 5.830 -4.963 0.724 203 HB ILE 28 HB ILE 28 4.799 -7.604 1.493 204 HG12 ILE 28 1HG1 ILE 28 3.559 -7.400 -0.606 205 HG13 ILE 28 2HG1 ILE 28 2.946 -6.376 0.541 206 HG21 ILE 28 1HG2 ILE 28 3.459 -4.966 2.282 207 HG22 ILE 28 2HG2 ILE 28 4.223 -6.139 3.357 208 HG23 ILE 28 3HG2 ILE 28 2.744 -6.566 2.500 209 HD11 ILE 28 1HD1 ILE 28 5.089 -5.186 -0.886 210 HD12 ILE 28 2HD1 ILE 28 3.787 -4.358 -0.097 211 HD13 ILE 28 3HD1 ILE 28 3.515 -5.270 -1.667 212 H ALA 29 H ALA 29 6.774 -7.762 2.247 213 HA ALA 29 HA ALA 29 6.861 -6.954 4.719 214 HB1 ALA 29 1HB ALA 29 8.647 -8.836 3.440 215 HB2 ALA 29 2HB ALA 29 6.956 -9.094 3.858 216 HB3 ALA 29 3HB ALA 29 8.185 -8.844 5.180 217 H PHE 30 H PHE 30 9.497 -6.637 2.279 218 HA PHE 30 HA PHE 30 11.319 -5.510 4.043 219 HB2 PHE 30 2HB PHE 30 12.395 -5.819 2.284 220 HB3 PHE 30 1HB PHE 30 10.918 -5.805 1.256 221 HD1 PHE 30 1HD PHE 30 10.668 -4.208 -0.244 222 HD2 PHE 30 2HD PHE 30 13.345 -3.478 3.053 223 HE1 PHE 30 1HE PHE 30 11.367 -2.164 -1.176 224 HE2 PHE 30 2HE PHE 30 14.013 -1.438 2.053 225 HZ PHE 30 HZ PHE 30 13.054 -0.763 -0.055 226 H LEU 31 H LEU 31 8.852 -4.325 1.856 227 HA LEU 31 HA LEU 31 9.197 -1.670 2.035 228 HB2 LEU 31 1HB LEU 31 7.054 -3.543 1.604 229 HB3 LEU 31 2HB LEU 31 6.499 -1.884 1.548 230 HG LEU 31 HG LEU 31 8.367 -3.415 -0.109 231 HD11 LEU 31 1HD1 LEU 31 7.095 -3.041 -1.696 232 HD12 LEU 31 2HD1 LEU 31 6.447 -1.471 -1.246 233 HD13 LEU 31 3HD1 LEU 31 5.845 -3.004 -0.434 234 HD21 LEU 31 1HD2 LEU 31 9.709 -1.739 0.172 235 HD22 LEU 31 2HD2 LEU 31 8.417 -0.521 0.393 236 HD23 LEU 31 3HD2 LEU 31 8.813 -1.130 -1.231 237 H ALA 32 H ALA 32 7.620 -3.862 4.027 238 HA ALA 32 HA ALA 32 6.439 -1.892 5.795 239 HB1 ALA 32 1HB ALA 32 5.558 -3.771 6.872 240 HB2 ALA 32 2HB ALA 32 6.730 -4.804 5.928 241 HB3 ALA 32 3HB ALA 32 5.448 -3.884 5.119 242 H GLU 33 H GLU 33 9.339 -3.925 5.861 243 HA GLU 33 HA GLU 33 9.638 -3.514 8.550 244 HB2 GLU 33 1HB GLU 33 11.414 -5.045 8.336 245 HB3 GLU 33 2HB GLU 33 10.202 -5.076 6.999 246 HG2 GLU 33 1HG GLU 33 11.452 -4.303 5.483 247 HG3 GLU 33 2HG GLU 33 12.517 -3.462 6.510 248 H ARG 34 H ARG 34 10.251 -2.069 5.812 249 HA ARG 34 HA ARG 34 12.279 -0.167 6.524 250 HB2 ARG 34 1HB ARG 34 12.110 -1.593 4.472 251 HB3 ARG 34 2HB ARG 34 10.801 -0.572 3.956 252 HG2 ARG 34 1HG ARG 34 12.749 0.108 2.961 253 HG3 ARG 34 2HG ARG 34 12.161 1.216 4.290 254 HD2 ARG 34 1HD ARG 34 13.804 0.595 5.771 255 HD3 ARG 34 2HD ARG 34 14.052 -0.868 4.793 256 HE ARG 34 HE ARG 34 15.195 0.377 3.265 257 HH11 ARG 34 1HH1 ARG 34 14.513 2.157 6.258 258 HH12 ARG 34 2HH1 ARG 34 15.904 3.151 6.213 259 HH21 ARG 34 1HH2 ARG 34 17.116 1.669 3.211 260 HH22 ARG 34 2HH2 ARG 34 17.499 2.882 4.347 261 H PHE 35 H PHE 35 8.818 -0.119 5.319 262 HA PHE 35 HA PHE 35 8.655 2.633 6.180 263 HB2 PHE 35 2HB PHE 35 7.589 0.799 4.407 264 HB3 PHE 35 1HB PHE 35 6.452 2.031 4.534 265 HD1 PHE 35 1HD PHE 35 8.844 4.215 4.704 266 HD2 PHE 35 2HD PHE 35 8.149 0.749 2.391 267 HE1 PHE 35 1HE PHE 35 10.415 5.020 3.005 268 HE2 PHE 35 2HE PHE 35 9.572 1.455 0.781 269 HZ PHE 35 HZ PHE 35 10.823 3.619 0.969 270 HA PRO 36 HA PRO 36 6.267 0.680 9.815 271 HB2 PRO 36 2HB PRO 36 6.966 3.353 10.658 272 HB3 PRO 36 1HB PRO 36 7.409 1.801 11.475 273 HG2 PRO 36 2HG PRO 36 8.785 3.609 9.701 274 HG3 PRO 36 1HG PRO 36 9.457 2.305 10.713 275 HD2 PRO 36 2HD PRO 36 9.472 2.173 8.114 276 HD3 PRO 36 1HD PRO 36 9.150 0.743 9.097 277 H HIS 37 H HIS 37 5.273 2.670 7.346 278 HA HIS 37 HA HIS 37 2.939 3.563 8.921 279 HB2 HIS 37 1HB HIS 37 4.496 5.692 7.762 280 HB3 HIS 37 2HB HIS 37 3.640 5.045 6.450 281 HD1 HIS 37 HD1 HIS 37 3.279 7.552 8.897 282 HD2 HIS 37 HD2 HIS 37 0.842 4.981 6.787 283 HE1 HIS 37 HE1 HIS 37 1.021 8.649 8.963 284 HE2 HIS 37 HE2 HIS 37 -0.162 7.387 7.167 285 H CYS 38 H CYS 38 4.058 3.476 5.680 286 HA CYS 38 HA CYS 38 1.946 2.937 4.216 287 HB2 CYS 38 2HB CYS 38 4.738 1.936 3.634 288 HB3 CYS 38 1HB CYS 38 3.574 2.773 2.614 289 HG CYS 38 HG CYS 38 4.061 5.222 3.399 290 H PHE 39 H PHE 39 4.275 0.592 5.501 291 HA PHE 39 HA PHE 39 2.531 -1.427 4.444 292 HB2 PHE 39 2HB PHE 39 5.174 -0.620 4.656 293 HB3 PHE 39 1HB PHE 39 5.292 -2.189 4.341 294 HD1 PHE 39 1HD PHE 39 6.272 0.205 3.185 295 HD2 PHE 39 2HD PHE 39 2.850 -2.059 2.186 296 HE1 PHE 39 1HE PHE 39 6.478 0.989 1.190 297 HE2 PHE 39 2HE PHE 39 2.994 -1.229 -0.090 298 HZ PHE 39 HZ PHE 39 4.820 0.345 -0.693 299 H SER 40 H SER 40 2.344 -3.286 5.607 300 HA SER 40 HA SER 40 2.837 -3.414 8.602 301 HB2 SER 40 1HB SER 40 1.114 -4.819 6.702 302 HB3 SER 40 2HB SER 40 1.237 -5.077 8.459 303 HG SER 40 HG SER 40 0.777 -2.498 7.975 304 H ALA 41 H ALA 41 2.288 -6.153 6.776 305 HA ALA 41 HA ALA 41 3.803 -7.603 5.694 306 HB1 ALA 41 1HB ALA 41 5.262 -6.586 7.924 307 HB2 ALA 41 2HB ALA 41 5.652 -6.349 6.197 308 HB3 ALA 41 3HB ALA 41 5.968 -7.968 6.993 309 H GLU 42 H GLU 42 3.340 -6.667 8.885 310 HA GLU 42 HA GLU 42 2.625 -8.908 10.303 311 HB2 GLU 42 1HB GLU 42 1.970 -6.255 9.896 312 HB3 GLU 42 2HB GLU 42 0.977 -7.033 10.951 313 HG2 GLU 42 1HG GLU 42 3.938 -6.820 11.025 314 HG3 GLU 42 2HG GLU 42 2.933 -5.784 12.051 315 H GLY 43 H GLY 43 1.303 -6.769 8.432 316 HA2 GLY 43 1HA GLY 43 -1.218 -7.959 8.587 317 HA3 GLY 43 2HA GLY 43 -1.059 -6.304 8.050 318 H GLU 44 H GLU 44 -2.328 -8.593 6.807 319 HA GLU 44 HA GLU 44 -1.298 -9.580 4.543 320 HB2 GLU 44 1HB GLU 44 -3.641 -9.665 5.703 321 HB3 GLU 44 2HB GLU 44 -3.910 -8.284 4.642 322 HG2 GLU 44 1HG GLU 44 -3.533 -9.571 2.738 323 HG3 GLU 44 2HG GLU 44 -3.213 -11.028 3.703 324 H ALA 45 H ALA 45 -3.026 -6.538 5.067 325 HA ALA 45 HA ALA 45 -1.223 -5.103 3.520 326 HB1 ALA 45 1HB ALA 45 -2.781 -4.289 1.880 327 HB2 ALA 45 2HB ALA 45 -3.988 -5.502 2.428 328 HB3 ALA 45 3HB ALA 45 -2.417 -6.014 1.746 329 H ARG 46 H ARG 46 -2.457 -2.897 3.078 330 HA ARG 46 HA ARG 46 -3.751 -1.861 5.425 331 HB2 ARG 46 1HB ARG 46 -1.375 -1.941 6.063 332 HB3 ARG 46 2HB ARG 46 -0.892 -1.372 4.486 333 HG2 ARG 46 1HG ARG 46 -0.559 0.337 6.133 334 HG3 ARG 46 2HG ARG 46 -1.829 0.827 5.021 335 HD2 ARG 46 1HD ARG 46 -3.513 0.124 6.723 336 HD3 ARG 46 2HD ARG 46 -2.195 -0.326 7.769 337 HE ARG 46 HE ARG 46 -2.146 1.740 8.492 338 HH11 ARG 46 1HH1 ARG 46 -2.938 2.110 4.994 339 HH12 ARG 46 2HH1 ARG 46 -3.140 3.741 5.011 340 HH21 ARG 46 1HH2 ARG 46 -2.508 4.096 8.551 341 HH22 ARG 46 2HH2 ARG 46 -2.945 4.923 7.114 342 HA PRO 47 HA PRO 47 -5.086 0.450 1.730 343 HB2 PRO 47 2HB PRO 47 -5.251 2.844 3.537 344 HB3 PRO 47 1HB PRO 47 -6.533 2.262 2.431 345 HG2 PRO 47 2HG PRO 47 -6.743 1.860 5.024 346 HG3 PRO 47 1HG PRO 47 -7.193 0.586 3.872 347 HD2 PRO 47 2HD PRO 47 -4.806 0.804 5.603 348 HD3 PRO 47 1HD PRO 47 -5.723 -0.656 5.159 349 H LEU 48 H LEU 48 -3.806 1.268 0.274 350 HA LEU 48 HA LEU 48 -1.502 2.869 0.941 351 HB2 LEU 48 1HB LEU 48 -0.501 0.845 1.124 352 HB3 LEU 48 2HB LEU 48 -1.602 -0.032 0.113 353 HG LEU 48 HG LEU 48 -0.493 1.507 -1.587 354 HD11 LEU 48 1HD1 LEU 48 1.125 2.472 -0.067 355 HD12 LEU 48 2HD1 LEU 48 1.956 1.259 -1.126 356 HD13 LEU 48 3HD1 LEU 48 1.436 0.805 0.503 357 HD21 LEU 48 1HD2 LEU 48 -0.439 -0.494 -2.288 358 HD22 LEU 48 2HD2 LEU 48 -0.043 -1.102 -0.668 359 HD23 LEU 48 3HD2 LEU 48 1.246 -0.464 -1.718 360 H LYS 49 H LYS 49 -0.592 3.519 -1.341 361 HA LYS 49 HA LYS 49 -2.840 3.789 -3.088 362 HB2 LYS 49 1HB LYS 49 -0.719 5.584 -2.463 363 HB3 LYS 49 2HB LYS 49 -0.630 5.168 -4.103 364 HG2 LYS 49 1HG LYS 49 -3.224 6.154 -2.925 365 HG3 LYS 49 2HG LYS 49 -2.111 7.095 -3.919 366 HD2 LYS 49 1HD LYS 49 -2.467 5.624 -5.809 367 HD3 LYS 49 2HD LYS 49 -3.477 4.555 -4.848 368 HE2 LYS 49 1HE LYS 49 -4.858 5.965 -6.268 369 HE3 LYS 49 2HE LYS 49 -5.117 6.377 -4.576 370 HZ1 LYS 49 1HZ LYS 49 -4.925 8.357 -5.950 371 HZ2 LYS 49 2HZ LYS 49 -3.324 7.997 -6.374 372 HZ3 LYS 49 3HZ LYS 49 -3.803 8.265 -4.784 373 H ILE 50 H ILE 50 -1.699 3.662 -5.372 374 HA ILE 50 HA ILE 50 0.406 1.621 -5.283 375 HB ILE 50 HB ILE 50 -1.881 1.814 -7.070 376 HG12 ILE 50 1HG1 ILE 50 -0.093 -0.353 -5.967 377 HG13 ILE 50 2HG1 ILE 50 -1.543 0.290 -5.204 378 HG21 ILE 50 1HG2 ILE 50 0.794 0.836 -7.791 379 HG22 ILE 50 2HG2 ILE 50 0.092 2.303 -8.457 380 HG23 ILE 50 3HG2 ILE 50 -0.613 0.683 -8.900 381 HD11 ILE 50 1HD1 ILE 50 -2.856 -0.521 -6.864 382 HD12 ILE 50 2HD1 ILE 50 -1.752 -1.876 -6.333 383 HD13 ILE 50 3HD1 ILE 50 -1.467 -1.000 -7.857 384 H GLY 51 H GLY 51 -0.230 4.563 -6.516 385 HA2 GLY 51 1HA GLY 51 2.155 4.759 -8.130 386 HA3 GLY 51 2HA GLY 51 1.179 6.105 -7.534 387 H ILE 52 H ILE 52 1.708 4.870 -4.586 388 HA ILE 52 HA ILE 52 3.923 6.016 -3.642 389 HB ILE 52 HB ILE 52 2.431 4.894 -2.146 390 HG12 ILE 52 1HG1 ILE 52 4.934 3.572 -2.691 391 HG13 ILE 52 2HG1 ILE 52 4.762 4.869 -1.649 392 HG21 ILE 52 1HG2 ILE 52 2.761 2.692 -4.139 393 HG22 ILE 52 2HG2 ILE 52 1.304 3.096 -3.154 394 HG23 ILE 52 3HG2 ILE 52 2.717 2.288 -2.456 395 HD11 ILE 52 1HD1 ILE 52 4.605 2.226 -1.285 396 HD12 ILE 52 2HD1 ILE 52 2.912 2.813 -1.092 397 HD13 ILE 52 3HD1 ILE 52 4.155 3.406 0.015 398 H PHE 53 H PHE 53 3.636 3.025 -5.561 399 HA PHE 53 HA PHE 53 5.744 1.664 -4.772 400 HB2 PHE 53 2HB PHE 53 4.427 0.833 -6.097 401 HB3 PHE 53 1HB PHE 53 4.314 2.102 -7.310 402 HD1 PHE 53 1HD PHE 53 6.328 -0.193 -5.804 403 HD2 PHE 53 2HD PHE 53 5.924 2.096 -9.181 404 HE1 PHE 53 1HE PHE 53 7.962 -1.466 -6.744 405 HE2 PHE 53 2HE PHE 53 7.929 0.845 -10.241 406 HZ PHE 53 HZ PHE 53 8.917 -1.002 -8.880 407 H GLN 54 H GLN 54 5.512 4.089 -7.056 408 HA GLN 54 HA GLN 54 8.063 4.550 -8.094 409 HB2 GLN 54 1HB GLN 54 6.003 5.312 -8.888 410 HB3 GLN 54 2HB GLN 54 5.723 5.667 -7.334 411 HG2 GLN 54 1HG GLN 54 7.700 7.177 -7.651 412 HG3 GLN 54 2HG GLN 54 6.647 7.880 -9.032 413 HE21 GLN 54 1HE2 GLN 54 6.738 7.345 -5.208 414 HE22 GLN 54 2HE2 GLN 54 5.701 6.337 -5.913 415 H ASP 55 H ASP 55 7.061 5.039 -5.252 416 HA ASP 55 HA ASP 55 8.804 7.211 -4.525 417 HB2 ASP 55 1HB ASP 55 6.138 6.690 -3.505 418 HB3 ASP 55 2HB ASP 55 7.095 5.934 -2.684 419 H LEU 56 H LEU 56 7.653 4.295 -3.518 420 HA LEU 56 HA LEU 56 9.350 3.294 -1.670 421 HB2 LEU 56 1HB LEU 56 7.860 2.558 -4.090 422 HB3 LEU 56 2HB LEU 56 7.906 2.960 -2.429 423 HG LEU 56 HG LEU 56 8.463 0.370 -2.656 424 HD11 LEU 56 1HD1 LEU 56 8.393 2.116 -0.676 425 HD12 LEU 56 2HD1 LEU 56 7.271 0.705 -0.666 426 HD13 LEU 56 3HD1 LEU 56 6.743 2.266 -1.357 427 HD21 LEU 56 1HD2 LEU 56 6.744 0.527 -3.912 428 HD22 LEU 56 2HD2 LEU 56 6.397 2.127 -3.039 429 HD23 LEU 56 3HD2 LEU 56 6.064 0.615 -2.224 430 H VAL 57 H VAL 57 9.338 3.225 -4.923 431 HA VAL 57 HA VAL 57 11.686 1.946 -5.104 432 HB VAL 57 HB VAL 57 11.794 2.401 -7.414 433 HG11 VAL 57 1HG1 VAL 57 9.759 1.634 -5.669 434 HG12 VAL 57 2HG1 VAL 57 10.331 0.717 -7.147 435 HG13 VAL 57 3HG1 VAL 57 9.063 2.125 -7.167 436 HG21 VAL 57 1HG2 VAL 57 9.587 4.341 -6.815 437 HG22 VAL 57 2HG2 VAL 57 9.961 3.645 -8.410 438 HG23 VAL 57 3HG2 VAL 57 11.208 4.569 -7.466 439 H ASP 58 H ASP 58 11.163 5.385 -5.013 440 HA ASP 58 HA ASP 58 13.442 6.490 -5.883 441 HB2 ASP 58 1HB ASP 58 11.407 7.243 -4.286 442 HB3 ASP 58 2HB ASP 58 12.621 6.893 -3.200 443 H ARG 59 H ARG 59 12.547 4.863 -3.052 444 HA ARG 59 HA ARG 59 14.741 5.272 -1.365 445 HB2 ARG 59 1HB ARG 59 12.038 4.763 -1.462 446 HB3 ARG 59 2HB ARG 59 12.796 4.306 0.101 447 HG2 ARG 59 1HG ARG 59 13.264 6.637 0.492 448 HG3 ARG 59 2HG ARG 59 12.975 7.057 -1.198 449 HD2 ARG 59 1HD ARG 59 10.790 7.301 -0.867 450 HD3 ARG 59 2HD ARG 59 10.693 5.769 -0.000 451 HE ARG 59 HE ARG 59 11.674 7.232 1.900 452 HH11 ARG 59 1HH1 ARG 59 9.167 8.527 -0.457 453 HH12 ARG 59 2HH1 ARG 59 8.547 9.535 0.722 454 HH21 ARG 59 1HH2 ARG 59 10.588 8.815 3.431 455 HH22 ARG 59 2HH2 ARG 59 9.310 9.726 2.782 456 H VAL 60 H VAL 60 12.351 2.678 -2.160 457 HA VAL 60 HA VAL 60 13.264 0.940 -0.436 458 HB VAL 60 HB VAL 60 11.860 -0.572 -1.778 459 HG11 VAL 60 1HG1 VAL 60 10.896 0.569 -0.247 460 HG12 VAL 60 2HG1 VAL 60 10.146 1.054 -1.944 461 HG13 VAL 60 3HG1 VAL 60 11.291 2.145 -1.070 462 HG21 VAL 60 1HG2 VAL 60 10.527 1.018 -3.370 463 HG22 VAL 60 2HG2 VAL 60 11.731 -0.227 -3.832 464 HG23 VAL 60 3HG2 VAL 60 12.221 1.458 -3.541 465 H ALA 61 H ALA 61 13.862 1.215 -3.728 466 HA ALA 61 HA ALA 61 13.633 -1.300 -4.255 467 HB1 ALA 61 1HB ALA 61 14.279 -0.983 -6.351 468 HB2 ALA 61 2HB ALA 61 15.164 0.524 -5.897 469 HB3 ALA 61 3HB ALA 61 13.394 0.363 -5.646 470 H GLY 62 H GLY 62 16.528 -0.281 -4.853 471 HA2 GLY 62 1HA GLY 62 17.169 -3.078 -4.687 472 HA3 GLY 62 2HA GLY 62 18.110 -2.028 -5.684 473 H GLU 63 H GLU 63 17.076 -1.687 -2.611 474 HA GLU 63 HA GLU 63 19.423 -1.272 -1.239 475 HB2 GLU 63 1HB GLU 63 16.732 -2.142 -0.484 476 HB3 GLU 63 2HB GLU 63 17.909 -2.109 0.779 477 HG2 GLU 63 1HG GLU 63 18.195 0.405 -0.283 478 HG3 GLU 63 2HG GLU 63 16.541 0.025 -0.790 479 H MET 64 H MET 64 17.205 -3.999 -0.912 480 HA MET 64 HA MET 64 19.419 -5.822 -0.520 481 HB2 MET 64 1HB MET 64 16.669 -6.624 -0.589 482 HB3 MET 64 2HB MET 64 18.001 -7.535 -0.013 483 HG2 MET 64 1HG MET 64 16.554 -6.980 1.552 484 HG3 MET 64 2HG MET 64 18.108 -6.218 2.020 485 HE1 MET 64 1HE MET 64 14.414 -4.022 0.261 486 HE2 MET 64 2HE MET 64 14.263 -5.574 0.976 487 HE3 MET 64 3HE MET 64 15.297 -5.384 -0.479 488 H ASN 65 H ASN 65 16.559 -5.596 -2.167 489 HA ASN 65 HA ASN 65 17.576 -6.761 -4.387 490 HB2 ASN 65 1HB ASN 65 16.704 -8.914 -4.227 491 HB3 ASN 65 2HB ASN 65 17.611 -8.538 -2.701 492 HD21 ASN 65 1HD2 ASN 65 15.222 -9.413 -0.843 493 HD22 ASN 65 2HD2 ASN 65 16.714 -8.648 -0.950 494 H LEU 66 H LEU 66 16.342 -4.846 -4.976 495 HA LEU 66 HA LEU 66 13.757 -5.584 -6.255 496 HB2 LEU 66 1HB LEU 66 14.603 -3.912 -4.425 497 HB3 LEU 66 2HB LEU 66 13.668 -2.852 -5.341 498 HG LEU 66 HG LEU 66 13.511 -4.552 -3.057 499 HD11 LEU 66 1HD1 LEU 66 12.971 -2.405 -2.900 500 HD12 LEU 66 2HD1 LEU 66 11.414 -3.270 -2.677 501 HD13 LEU 66 3HD1 LEU 66 11.842 -2.467 -4.221 502 HD21 LEU 66 1HD2 LEU 66 12.787 -5.985 -4.422 503 HD22 LEU 66 2HD2 LEU 66 11.387 -5.112 -5.086 504 HD23 LEU 66 3HD2 LEU 66 11.385 -5.698 -3.346 505 H SER 67 H SER 67 13.728 -5.213 -8.080 506 HA SER 67 HA SER 67 15.476 -3.302 -9.455 507 HB2 SER 67 1HB SER 67 15.692 -5.609 -10.031 508 HB3 SER 67 2HB SER 67 13.949 -5.789 -10.118 509 HG SER 67 HG SER 67 15.798 -4.823 -11.984 510 H LYS 68 H LYS 68 13.108 -2.684 -7.921 511 HA LYS 68 HA LYS 68 11.090 -1.581 -7.796 512 HB2 LYS 68 1HB LYS 68 10.990 -0.948 -10.584 513 HB3 LYS 68 2HB LYS 68 10.362 0.048 -9.327 514 HG2 LYS 68 1HG LYS 68 13.028 0.060 -10.608 515 HG3 LYS 68 2HG LYS 68 12.019 1.407 -10.065 516 HD2 LYS 68 1HD LYS 68 12.578 0.850 -7.721 517 HD3 LYS 68 2HD LYS 68 13.100 -0.590 -8.479 518 HE2 LYS 68 1HE LYS 68 15.116 0.850 -7.883 519 HE3 LYS 68 2HE LYS 68 14.956 0.756 -9.632 520 HZ1 LYS 68 1HZ LYS 68 15.346 3.039 -8.968 521 HZ2 LYS 68 2HZ LYS 68 14.063 3.019 -7.899 522 HZ3 LYS 68 3HZ LYS 68 13.766 2.924 -9.563 523 H THR 69 H THR 69 11.161 -3.479 -10.838 524 HA THR 69 HA THR 69 8.406 -3.505 -10.772 525 HB THR 69 HB THR 69 8.539 -4.902 -12.359 526 HG1 THR 69 1HG THR 69 11.109 -5.415 -13.003 527 HG21 THR 69 1HG2 THR 69 10.066 -3.690 -14.002 528 HG22 THR 69 2HG2 THR 69 10.758 -2.996 -12.518 529 HG23 THR 69 3HG2 THR 69 9.068 -2.656 -12.932 530 H GLN 70 H GLN 70 10.806 -5.465 -9.561 531 HA GLN 70 HA GLN 70 9.034 -7.627 -8.738 532 HB2 GLN 70 1HB GLN 70 11.022 -8.481 -7.453 533 HB3 GLN 70 2HB GLN 70 11.354 -8.241 -9.126 534 HG2 GLN 70 1HG GLN 70 12.584 -6.311 -8.753 535 HG3 GLN 70 2HG GLN 70 11.687 -6.316 -7.200 536 HE21 GLN 70 1HE2 GLN 70 13.402 -8.435 -5.521 537 HE22 GLN 70 2HE2 GLN 70 11.769 -8.117 -5.958 538 H LEU 71 H LEU 71 9.329 -4.671 -7.744 539 HA LEU 71 HA LEU 71 8.257 -5.062 -4.986 540 HB2 LEU 71 1HB LEU 71 10.330 -3.653 -5.695 541 HB3 LEU 71 2HB LEU 71 9.318 -2.624 -6.459 542 HG LEU 71 HG LEU 71 10.076 -2.799 -3.827 543 HD11 LEU 71 1HD1 LEU 71 10.278 -0.865 -5.282 544 HD12 LEU 71 2HD1 LEU 71 9.609 -0.529 -3.741 545 HD13 LEU 71 3HD1 LEU 71 8.512 -0.694 -5.174 546 HD21 LEU 71 1HD2 LEU 71 7.246 -2.854 -4.337 547 HD22 LEU 71 2HD2 LEU 71 7.901 -1.898 -3.007 548 HD23 LEU 71 3HD2 LEU 71 8.202 -3.665 -3.094 549 H ARG 72 H ARG 72 7.699 -3.592 -8.161 550 HA ARG 72 HA ARG 72 5.435 -2.311 -7.248 551 HB2 ARG 72 1HB ARG 72 4.837 -1.898 -9.709 552 HB3 ARG 72 2HB ARG 72 6.562 -1.714 -9.352 553 HG2 ARG 72 1HG ARG 72 6.631 -2.799 -11.278 554 HG3 ARG 72 2HG ARG 72 6.844 -3.916 -9.875 555 HD2 ARG 72 1HD ARG 72 5.435 -5.120 -11.430 556 HD3 ARG 72 2HD ARG 72 4.509 -4.410 -10.072 557 HE ARG 72 HE ARG 72 4.102 -2.536 -11.774 558 HH11 ARG 72 1HH1 ARG 72 4.057 -6.013 -12.482 559 HH12 ARG 72 2HH1 ARG 72 3.039 -5.911 -13.830 560 HH21 ARG 72 1HH2 ARG 72 2.664 -2.358 -13.697 561 HH22 ARG 72 2HH2 ARG 72 2.228 -3.760 -14.541 562 H SER 73 H SER 73 6.031 -5.548 -7.966 563 HA SER 73 HA SER 73 3.532 -6.461 -8.650 564 HB2 SER 73 1HB SER 73 4.978 -8.421 -8.442 565 HB3 SER 73 2HB SER 73 5.637 -6.952 -9.348 566 HG SER 73 HG SER 73 6.898 -8.212 -7.463 567 H ALA 74 H ALA 74 5.366 -5.869 -6.073 568 HA ALA 74 HA ALA 74 3.935 -7.508 -4.056 569 HB1 ALA 74 1HB ALA 74 6.234 -6.994 -3.705 570 HB2 ALA 74 2HB ALA 74 5.326 -6.142 -2.456 571 HB3 ALA 74 3HB ALA 74 5.966 -5.287 -3.872 572 H LEU 75 H LEU 75 3.783 -4.759 -5.600 573 HA LEU 75 HA LEU 75 2.040 -3.466 -3.775 574 HB2 LEU 75 1HB LEU 75 4.087 -3.376 -4.844 575 HB3 LEU 75 2HB LEU 75 3.791 -2.383 -6.019 576 HG LEU 75 HG LEU 75 3.734 -2.200 -2.977 577 HD11 LEU 75 1HD1 LEU 75 5.685 -2.012 -4.753 578 HD12 LEU 75 2HD1 LEU 75 5.559 -1.111 -3.213 579 HD13 LEU 75 3HD1 LEU 75 5.001 -0.355 -4.701 580 HD21 LEU 75 1HD2 LEU 75 3.139 -0.096 -2.792 581 HD22 LEU 75 2HD2 LEU 75 1.982 -0.531 -4.080 582 HD23 LEU 75 3HD2 LEU 75 3.575 0.297 -4.427 583 H ARG 76 H ARG 76 1.427 -5.587 -5.333 584 HA ARG 76 HA ARG 76 -0.967 -4.996 -6.909 585 HB2 ARG 76 1HB ARG 76 1.353 -6.456 -8.004 586 HB3 ARG 76 2HB ARG 76 -0.171 -7.351 -8.158 587 HG2 ARG 76 1HG ARG 76 0.144 -6.182 -10.151 588 HG3 ARG 76 2HG ARG 76 -1.010 -5.193 -9.238 589 HD2 ARG 76 1HD ARG 76 1.219 -4.411 -8.233 590 HD3 ARG 76 2HD ARG 76 1.806 -4.811 -9.814 591 HE ARG 76 HE ARG 76 -0.398 -3.487 -10.540 592 HH11 ARG 76 1HH1 ARG 76 2.185 -2.480 -8.397 593 HH12 ARG 76 2HH1 ARG 76 2.136 -0.821 -8.760 594 HH21 ARG 76 1HH2 ARG 76 -0.510 -1.181 -11.158 595 HH22 ARG 76 2HH2 ARG 76 0.541 -0.070 -10.418 596 H LEU 77 H LEU 77 1.196 -7.234 -5.452 597 HA LEU 77 HA LEU 77 -0.358 -9.494 -5.032 598 HB2 LEU 77 1HB LEU 77 2.229 -9.043 -4.574 599 HB3 LEU 77 2HB LEU 77 1.736 -8.303 -3.317 600 HG LEU 77 HG LEU 77 0.410 -10.599 -2.816 601 HD11 LEU 77 1HD1 LEU 77 2.490 -11.948 -2.606 602 HD12 LEU 77 2HD1 LEU 77 3.236 -10.532 -3.434 603 HD13 LEU 77 3HD1 LEU 77 2.139 -11.604 -4.361 604 HD21 LEU 77 1HD2 LEU 77 1.183 -8.951 -1.373 605 HD22 LEU 77 2HD2 LEU 77 2.769 -9.191 -2.129 606 HD23 LEU 77 3HD2 LEU 77 2.134 -10.446 -1.008 607 H TYR 78 H TYR 78 0.637 -7.096 -2.794 608 HA TYR 78 HA TYR 78 -1.247 -8.151 -0.998 609 HB2 TYR 78 2HB TYR 78 0.116 -7.459 0.700 610 HB3 TYR 78 1HB TYR 78 1.248 -7.157 -0.584 611 HD1 TYR 78 1HD TYR 78 0.756 -4.820 -1.731 612 HD2 TYR 78 2HD TYR 78 0.121 -5.977 2.224 613 HE1 TYR 78 1HE TYR 78 0.894 -2.574 -1.142 614 HE2 TYR 78 2HE TYR 78 0.300 -3.699 2.967 615 HH TYR 78 HH TYR 78 0.756 -1.688 2.392 616 H THR 79 H THR 79 -0.968 -5.778 -3.202 617 HA THR 79 HA THR 79 -2.975 -3.965 -2.055 618 HB THR 79 HB THR 79 -2.782 -2.579 -3.956 619 HG1 THR 79 1HG THR 79 -2.772 -3.841 -5.720 620 HG21 THR 79 1HG2 THR 79 -0.354 -2.332 -4.055 621 HG22 THR 79 2HG2 THR 79 -0.287 -3.971 -3.325 622 HG23 THR 79 3HG2 THR 79 -1.018 -2.651 -2.425 623 H SER 80 H SER 80 -3.065 -6.789 -3.927 624 HA SER 80 HA SER 80 -5.780 -6.343 -4.745 625 HB2 SER 80 1HB SER 80 -4.083 -8.856 -4.845 626 HB3 SER 80 2HB SER 80 -5.710 -8.715 -5.513 627 HG SER 80 HG SER 80 -3.377 -7.331 -6.262 628 H SER 81 H SER 81 -4.381 -6.777 -1.801 629 HA SER 81 HA SER 81 -6.276 -8.645 -0.812 630 HB2 SER 81 1HB SER 81 -4.467 -8.582 0.440 631 HB3 SER 81 2HB SER 81 -4.315 -6.770 0.458 632 HG SER 81 HG SER 81 -5.694 -8.628 2.037 633 H TRP 82 H TRP 82 -7.754 -8.075 0.549 634 HA TRP 82 HA TRP 82 -9.447 -5.716 -0.323 635 HB2 TRP 82 2HB TRP 82 -10.324 -8.284 0.688 636 HB3 TRP 82 1HB TRP 82 -10.472 -7.125 1.958 637 HD1 TRP 82 1HD TRP 82 -10.851 -5.812 -1.403 638 HE1 TRP 82 1HE TRP 82 -13.232 -5.312 -1.837 639 HE3 TRP 82 3HE TRP 82 -12.772 -8.209 2.542 640 HZ2 TRP 82 2HZ TRP 82 -15.617 -5.790 -0.700 641 HZ3 TRP 82 3HZ TRP 82 -15.166 -8.191 2.788 642 HH2 TRP 82 2HH TRP 82 -16.588 -6.978 1.088 643 H ARG 83 H ARG 83 -8.073 -6.792 2.486 644 HA ARG 83 HA ARG 83 -8.796 -4.484 3.881 645 HB2 ARG 83 1HB ARG 83 -7.461 -5.285 5.605 646 HB3 ARG 83 2HB ARG 83 -8.405 -6.522 4.789 647 HG2 ARG 83 1HG ARG 83 -6.370 -7.123 3.526 648 HG3 ARG 83 2HG ARG 83 -5.471 -6.147 4.696 649 HD2 ARG 83 1HD ARG 83 -7.400 -8.256 5.538 650 HD3 ARG 83 2HD ARG 83 -5.738 -8.618 5.145 651 HE ARG 83 HE ARG 83 -6.112 -6.555 7.096 652 HH11 ARG 83 1HH1 ARG 83 -5.661 -10.025 6.429 653 HH12 ARG 83 2HH1 ARG 83 -5.193 -10.473 7.979 654 HH21 ARG 83 1HH2 ARG 83 -5.415 -7.123 9.332 655 HH22 ARG 83 2HH2 ARG 83 -5.038 -8.745 9.716 656 H TYR 84 H TYR 84 -6.579 -4.905 1.618 657 HA TYR 84 HA TYR 84 -4.961 -2.609 2.052 658 HB2 TYR 84 2HB TYR 84 -4.423 -4.259 0.294 659 HB3 TYR 84 1HB TYR 84 -5.993 -4.047 -0.345 660 HD1 TYR 84 1HD TYR 84 -2.633 -2.051 -0.178 661 HD2 TYR 84 2HD TYR 84 -6.599 -2.562 -1.767 662 HE1 TYR 84 1HE TYR 84 -2.187 -0.495 -1.743 663 HE2 TYR 84 2HE TYR 84 -6.062 -0.872 -3.481 664 HH TYR 84 HH TYR 84 -4.403 1.057 -3.689 665 H LEU 85 H LEU 85 -7.783 -3.144 0.051 666 HA LEU 85 HA LEU 85 -8.169 -0.366 -0.217 667 HB2 LEU 85 1HB LEU 85 -10.166 -0.785 -1.426 668 HB3 LEU 85 2HB LEU 85 -8.514 -1.109 -2.153 669 HG LEU 85 HG LEU 85 -10.420 -2.534 -2.995 670 HD11 LEU 85 1HD1 LEU 85 -8.750 -3.917 -1.049 671 HD12 LEU 85 2HD1 LEU 85 -8.270 -3.533 -2.709 672 HD13 LEU 85 3HD1 LEU 85 -9.603 -4.699 -2.393 673 HD21 LEU 85 1HD2 LEU 85 -11.907 -2.215 -1.075 674 HD22 LEU 85 2HD2 LEU 85 -10.760 -3.143 -0.111 675 HD23 LEU 85 3HD2 LEU 85 -11.647 -3.944 -1.411 676 H TYR 86 H TYR 86 -9.053 -1.832 2.129 677 HA TYR 86 HA TYR 86 -11.691 -1.569 2.626 678 HB2 TYR 86 2HB TYR 86 -9.309 -1.580 3.736 679 HB3 TYR 86 1HB TYR 86 -10.365 -0.874 4.922 680 HD1 TYR 86 1HD TYR 86 -10.675 -3.461 2.398 681 HD2 TYR 86 2HD TYR 86 -10.626 -2.787 6.571 682 HE1 TYR 86 1HE TYR 86 -11.320 -5.561 2.659 683 HE2 TYR 86 2HE TYR 86 -11.313 -5.082 6.964 684 HH TYR 86 HH TYR 86 -12.621 -6.818 5.562 685 H GLY 87 H GLY 87 -9.171 0.562 2.329 686 HA2 GLY 87 1HA GLY 87 -10.691 2.816 1.918 687 HA3 GLY 87 2HA GLY 87 -9.762 3.150 3.357 688 H VAL 88 H VAL 88 -9.783 2.057 0.053 689 HA VAL 88 HA VAL 88 -7.464 3.681 -0.293 690 HB VAL 88 HB VAL 88 -7.861 1.054 -1.691 691 HG11 VAL 88 1HG1 VAL 88 -5.682 1.538 -2.743 692 HG12 VAL 88 2HG1 VAL 88 -5.583 3.078 -1.900 693 HG13 VAL 88 3HG1 VAL 88 -6.830 2.823 -3.134 694 HG21 VAL 88 1HG2 VAL 88 -5.685 1.944 0.127 695 HG22 VAL 88 2HG2 VAL 88 -6.027 0.273 -0.489 696 HG23 VAL 88 3HG2 VAL 88 -7.142 1.099 0.614 697 H LYS 89 H LYS 89 -8.397 5.156 -1.909 698 HA LYS 89 HA LYS 89 -9.072 4.122 -4.371 699 HB2 LYS 89 1HB LYS 89 -11.316 3.921 -3.425 700 HB3 LYS 89 2HB LYS 89 -11.384 5.560 -2.879 701 HG2 LYS 89 1HG LYS 89 -12.528 5.863 -4.809 702 HG3 LYS 89 2HG LYS 89 -10.939 5.879 -5.559 703 HD2 LYS 89 1HD LYS 89 -12.809 3.498 -5.331 704 HD3 LYS 89 2HD LYS 89 -12.475 4.416 -6.785 705 HE2 LYS 89 1HE LYS 89 -11.212 2.461 -7.050 706 HE3 LYS 89 2HE LYS 89 -10.029 3.620 -6.462 707 HZ1 LYS 89 1HZ LYS 89 -9.912 1.386 -5.362 708 HZ2 LYS 89 2HZ LYS 89 -11.440 1.689 -4.680 709 HZ3 LYS 89 3HZ LYS 89 -10.169 2.614 -4.247 710 HA PRO 90 HA PRO 90 -7.340 8.388 -4.306 711 HB2 PRO 90 2HB PRO 90 -8.302 10.352 -2.695 712 HB3 PRO 90 1HB PRO 90 -8.905 10.053 -4.311 713 HG2 PRO 90 2HG PRO 90 -10.402 9.707 -1.930 714 HG3 PRO 90 1HG PRO 90 -10.883 9.368 -3.596 715 HD2 PRO 90 2HD PRO 90 -9.964 7.459 -1.537 716 HD3 PRO 90 1HD PRO 90 -10.945 7.284 -3.012 717 H GLY 91 H GLY 91 -7.370 9.980 -1.426 718 HA2 GLY 91 1HA GLY 91 -5.163 8.741 -1.104 719 HA3 GLY 91 2HA GLY 91 -5.225 10.284 -0.309 720 H ALA 92 H ALA 92 -6.924 7.814 -0.446 721 HA ALA 92 HA ALA 92 -7.734 6.938 2.179 722 HB1 ALA 92 1HB ALA 92 -8.502 4.909 0.926 723 HB2 ALA 92 2HB ALA 92 -7.565 5.603 -0.402 724 HB3 ALA 92 3HB ALA 92 -8.948 6.489 0.219 725 H THR 93 H THR 93 -5.413 5.984 0.086 726 HA THR 93 HA THR 93 -3.933 4.035 1.095 727 HB THR 93 HB THR 93 -3.012 5.166 -0.769 728 HG1 THR 93 1HG THR 93 -1.001 6.025 -0.021 729 HG21 THR 93 1HG2 THR 93 -3.357 7.709 0.743 730 HG22 THR 93 2HG2 THR 93 -4.245 7.063 -0.611 731 HG23 THR 93 3HG2 THR 93 -2.546 7.524 -0.802 732 H ARG 94 H ARG 94 -4.081 7.341 2.231 733 HA ARG 94 HA ARG 94 -3.247 8.537 3.887 734 HB2 ARG 94 1HB ARG 94 -3.638 5.921 5.189 735 HB3 ARG 94 2HB ARG 94 -2.625 7.233 5.870 736 HG2 ARG 94 1HG ARG 94 -4.837 7.421 6.893 737 HG3 ARG 94 2HG ARG 94 -4.726 8.691 5.686 738 HD2 ARG 94 1HD ARG 94 -6.128 7.266 4.110 739 HD3 ARG 94 2HD ARG 94 -6.070 6.027 5.337 740 HE ARG 94 HE ARG 94 -7.078 8.296 6.559 741 HH11 ARG 94 1HH1 ARG 94 -8.002 5.926 4.130 742 HH12 ARG 94 2HH1 ARG 94 -9.685 6.076 4.374 743 HH21 ARG 94 1HH2 ARG 94 -9.329 8.483 7.037 744 HH22 ARG 94 2HH2 ARG 94 -10.479 7.637 6.119 745 H VAL 95 H VAL 95 -1.335 6.614 2.091 746 HA VAL 95 HA VAL 95 0.949 7.613 3.370 747 HB VAL 95 HB VAL 95 1.990 5.750 3.930 748 HG11 VAL 95 1HG1 VAL 95 0.027 5.634 4.979 749 HG12 VAL 95 2HG1 VAL 95 0.659 4.000 4.762 750 HG13 VAL 95 3HG1 VAL 95 -0.706 4.659 3.693 751 HG21 VAL 95 1HG2 VAL 95 2.442 5.218 1.960 752 HG22 VAL 95 2HG2 VAL 95 0.849 4.591 1.464 753 HG23 VAL 95 3HG2 VAL 95 1.905 3.630 2.562 754 H ASP 96 H ASP 96 2.367 7.928 2.282 755 HA ASP 96 HA ASP 96 3.376 6.830 -0.216 756 HB2 ASP 96 1HB ASP 96 4.609 9.012 -0.427 757 HB3 ASP 96 2HB ASP 96 2.896 9.346 -0.567 758 H LEU 97 H LEU 97 5.839 6.846 0.475 759 HA LEU 97 HA LEU 97 5.514 5.706 2.717 760 HB2 LEU 97 1HB LEU 97 8.098 5.625 1.330 761 HB3 LEU 97 2HB LEU 97 7.261 4.632 2.435 762 HG LEU 97 HG LEU 97 5.428 5.143 0.450 763 HD11 LEU 97 1HD1 LEU 97 7.497 5.708 -0.845 764 HD12 LEU 97 2HD1 LEU 97 6.564 4.316 -1.415 765 HD13 LEU 97 3HD1 LEU 97 8.021 4.058 -0.473 766 HD21 LEU 97 1HD2 LEU 97 5.641 3.418 1.895 767 HD22 LEU 97 2HD2 LEU 97 7.319 3.414 1.102 768 HD23 LEU 97 3HD2 LEU 97 5.828 2.939 0.111 769 H ASP 98 H ASP 98 5.530 8.692 2.978 770 HA ASP 98 HA ASP 98 7.107 8.823 5.335 771 HB2 ASP 98 1HB ASP 98 5.741 10.711 3.479 772 HB3 ASP 98 2HB ASP 98 6.026 11.279 5.098 773 H GLY 99 H GLY 99 3.981 8.607 3.872 774 HA2 GLY 99 1HA GLY 99 2.366 7.373 4.910 775 HA3 GLY 99 2HA GLY 99 2.654 7.925 6.413 776 H ASN 100 H ASN 100 2.311 9.852 3.405 777 HA ASN 100 HA ASN 100 0.122 11.651 4.288 778 HB2 ASN 100 1HB ASN 100 2.294 11.280 2.345 779 HB3 ASN 100 2HB ASN 100 1.096 12.328 1.822 780 HD21 ASN 100 1HD2 ASN 100 3.839 13.923 3.139 781 HD22 ASN 100 2HD2 ASN 100 3.632 12.600 2.042 782 HA PRO 101 HA PRO 101 -2.576 8.936 2.155 783 HB2 PRO 101 2HB PRO 101 -4.039 11.335 1.182 784 HB3 PRO 101 1HB PRO 101 -4.431 10.076 2.288 785 HG2 PRO 101 2HG PRO 101 -3.851 12.510 3.284 786 HG3 PRO 101 1HG PRO 101 -3.123 11.072 4.093 787 HD2 PRO 101 2HD PRO 101 -2.186 12.435 1.788 788 HD3 PRO 101 1HD PRO 101 -1.233 12.715 3.129 789 H CYS 102 H CYS 102 -0.619 8.764 0.709 790 HA CYS 102 HA CYS 102 0.715 9.209 -1.010 791 HB2 CYS 102 2HB CYS 102 -0.267 7.752 -2.284 792 HB3 CYS 102 1HB CYS 102 -1.878 8.246 -2.355 793 HG CYS 102 HG CYS 102 0.012 10.355 -4.000 794 H GLY 103 H GLY 103 -0.841 11.182 0.265 795 HA2 GLY 103 1HA GLY 103 -0.619 13.487 0.779 796 HA3 GLY 103 2HA GLY 103 0.481 13.576 -0.571 797 H GLU 104 H GLU 104 -2.167 12.139 -1.085 798 HA GLU 104 HA GLU 104 -3.167 13.963 -3.045 799 HB2 GLU 104 1HB GLU 104 -3.239 11.924 -4.068 800 HB3 GLU 104 2HB GLU 104 -2.929 11.232 -2.473 801 HG2 GLU 104 1HG GLU 104 -4.955 10.859 -1.947 802 HG3 GLU 104 2HG GLU 104 -5.682 11.830 -3.293 803 H LEU 105 H LEU 105 -4.425 12.415 0.026 804 HA LEU 105 HA LEU 105 -6.650 14.314 -0.189 805 HB2 LEU 105 1HB LEU 105 -7.044 11.784 -1.080 806 HB3 LEU 105 2HB LEU 105 -7.049 11.526 0.534 807 HG LEU 105 HG LEU 105 -8.841 13.739 -0.259 808 HD11 LEU 105 1HD1 LEU 105 -9.732 12.363 -1.852 809 HD12 LEU 105 2HD1 LEU 105 -10.451 11.569 -0.334 810 HD13 LEU 105 3HD1 LEU 105 -8.945 11.001 -1.069 811 HD21 LEU 105 1HD2 LEU 105 -9.338 13.436 1.686 812 HD22 LEU 105 2HD2 LEU 105 -8.122 12.222 1.766 813 HD23 LEU 105 3HD2 LEU 105 -9.845 11.740 1.434 814 H ASP 106 H ASP 106 -7.801 14.533 1.590 815 HA ASP 106 HA ASP 106 -6.753 14.875 4.259 816 HB2 ASP 106 1HB ASP 106 -8.460 16.432 3.306 817 HB3 ASP 106 2HB ASP 106 -9.230 15.114 2.536 818 H GLU 107 H GLU 107 -9.080 13.732 5.356 819 HA GLU 107 HA GLU 107 -9.100 10.916 4.458 820 HB2 GLU 107 1HB GLU 107 -8.663 10.087 6.528 821 HB3 GLU 107 2HB GLU 107 -7.990 11.740 6.649 822 HG2 GLU 107 1HG GLU 107 -9.561 12.504 7.998 823 HG3 GLU 107 2HG GLU 107 -10.752 11.705 7.123 824 H GLN 108 H GLN 108 -10.937 13.493 4.884 825 HA GLN 108 HA GLN 108 -13.429 11.999 5.322 826 HB2 GLN 108 1HB GLN 108 -12.747 14.222 6.527 827 HB3 GLN 108 2HB GLN 108 -13.071 14.861 4.908 828 HG2 GLN 108 1HG GLN 108 -15.271 14.117 4.918 829 HG3 GLN 108 2HG GLN 108 -14.916 13.098 6.325 830 HE21 GLN 108 1HE2 GLN 108 -14.716 16.406 8.219 831 HE22 GLN 108 2HE2 GLN 108 -13.507 15.275 7.723 832 H HIS 109 H HIS 109 -11.294 12.492 3.086 833 HA HIS 109 HA HIS 109 -13.581 12.086 1.437 834 HB2 HIS 109 1HB HIS 109 -10.991 13.021 0.916 835 HB3 HIS 109 2HB HIS 109 -12.178 13.044 -0.453 836 HD1 HIS 109 HD1 HIS 109 -14.394 14.530 1.593 837 HD2 HIS 109 HD2 HIS 109 -10.538 15.866 0.790 838 HE1 HIS 109 HE1 HIS 109 -14.385 16.945 2.201 839 HE2 HIS 109 HE2 HIS 109 -11.945 17.459 2.225 840 H VAL 110 H VAL 110 -10.842 10.937 2.530 841 HA VAL 110 HA VAL 110 -11.221 8.993 0.694 842 HB VAL 110 HB VAL 110 -9.331 7.691 1.860 843 HG11 VAL 110 1HG1 VAL 110 -9.324 10.336 0.641 844 HG12 VAL 110 2HG1 VAL 110 -9.547 8.814 -0.240 845 HG13 VAL 110 3HG1 VAL 110 -7.944 9.261 0.387 846 HG21 VAL 110 1HG2 VAL 110 -9.296 9.119 3.822 847 HG22 VAL 110 2HG2 VAL 110 -9.069 10.490 2.685 848 HG23 VAL 110 3HG2 VAL 110 -7.781 9.291 2.882 849 H GLU 111 H GLU 111 -12.319 9.872 2.942 850 HA GLU 111 HA GLU 111 -13.365 8.021 4.802 851 HB2 GLU 111 1HB GLU 111 -13.510 10.340 4.914 852 HB3 GLU 111 2HB GLU 111 -14.334 10.765 3.769 853 HG2 GLU 111 1HG GLU 111 -15.419 8.624 5.336 854 HG3 GLU 111 2HG GLU 111 -15.723 10.288 5.963 855 H HIS 112 H HIS 112 -14.136 9.009 1.614 856 HA HIS 112 HA HIS 112 -16.308 7.207 1.422 857 HB2 HIS 112 1HB HIS 112 -14.693 8.686 -0.415 858 HB3 HIS 112 2HB HIS 112 -16.202 7.944 -1.029 859 HD1 HIS 112 HD1 HIS 112 -18.334 9.457 -0.758 860 HD2 HIS 112 HD2 HIS 112 -15.115 10.837 1.446 861 HE1 HIS 112 HE1 HIS 112 -19.133 11.574 0.364 862 HE2 HIS 112 HE2 HIS 112 -17.312 11.845 2.092 863 H ALA 113 H ALA 113 -13.074 7.058 1.075 864 HA ALA 113 HA ALA 113 -13.098 4.880 -0.575 865 HB1 ALA 113 1HB ALA 113 -11.517 6.778 0.217 866 HB2 ALA 113 2HB ALA 113 -10.978 5.273 -0.668 867 HB3 ALA 113 3HB ALA 113 -10.954 5.358 1.152 868 H ARG 114 H ARG 114 -12.947 5.758 2.640 869 HA ARG 114 HA ARG 114 -12.231 3.438 3.742 870 HB2 ARG 114 1HB ARG 114 -12.311 5.839 4.819 871 HB3 ARG 114 2HB ARG 114 -13.969 5.529 4.954 872 HG2 ARG 114 1HG ARG 114 -13.916 4.010 6.616 873 HG3 ARG 114 2HG ARG 114 -12.290 3.460 6.225 874 HD2 ARG 114 1HD ARG 114 -12.432 4.719 8.362 875 HD3 ARG 114 2HD ARG 114 -11.321 5.420 7.198 876 HE ARG 114 HE ARG 114 -13.953 6.572 7.143 877 HH11 ARG 114 1HH1 ARG 114 -10.802 6.686 8.857 878 HH12 ARG 114 2HH1 ARG 114 -10.921 8.353 9.172 879 HH21 ARG 114 1HH2 ARG 114 -14.025 8.989 7.748 880 HH22 ARG 114 2HH2 ARG 114 -12.651 9.569 8.602 881 H LYS 115 H LYS 115 -15.185 4.577 2.168 882 HA LYS 115 HA LYS 115 -16.766 2.658 3.496 883 HB2 LYS 115 1HB LYS 115 -18.405 4.161 3.388 884 HB3 LYS 115 2HB LYS 115 -17.017 5.298 3.195 885 HG2 LYS 115 1HG LYS 115 -17.461 5.907 1.251 886 HG3 LYS 115 2HG LYS 115 -17.827 4.277 0.728 887 HD2 LYS 115 1HD LYS 115 -19.782 5.972 0.710 888 HD3 LYS 115 2HD LYS 115 -20.088 4.492 1.628 889 HE2 LYS 115 1HE LYS 115 -20.715 6.070 3.282 890 HE3 LYS 115 2HE LYS 115 -18.954 5.846 3.482 891 HZ1 LYS 115 1HZ LYS 115 -18.420 7.855 2.749 892 HZ2 LYS 115 2HZ LYS 115 -19.840 8.181 3.506 893 HZ3 LYS 115 3HZ LYS 115 -19.827 8.044 1.808 894 H GLN 116 H GLN 116 -15.151 3.571 0.477 895 HA GLN 116 HA GLN 116 -16.960 2.298 -0.818 896 HB2 GLN 116 1HB GLN 116 -15.332 2.058 -2.802 897 HB3 GLN 116 2HB GLN 116 -15.673 3.662 -2.161 898 HG2 GLN 116 1HG GLN 116 -13.467 3.790 -2.252 899 HG3 GLN 116 2HG GLN 116 -13.775 3.079 -0.630 900 HE21 GLN 116 1HE2 GLN 116 -12.238 -0.010 -1.455 901 HE22 GLN 116 2HE2 GLN 116 -13.309 0.797 -0.404 902 H LEU 117 H LEU 117 -14.855 0.807 1.209 903 HA LEU 117 HA LEU 117 -15.181 -1.794 0.126 904 HB2 LEU 117 1HB LEU 117 -13.361 -1.749 1.070 905 HB3 LEU 117 2HB LEU 117 -13.295 -0.865 2.415 906 HG LEU 117 HG LEU 117 -15.293 -2.839 2.474 907 HD11 LEU 117 1HD1 LEU 117 -13.481 -4.713 2.292 908 HD12 LEU 117 2HD1 LEU 117 -12.508 -3.260 1.941 909 HD13 LEU 117 3HD1 LEU 117 -13.876 -3.692 0.860 910 HD21 LEU 117 1HD2 LEU 117 -12.872 -2.296 4.196 911 HD22 LEU 117 2HD2 LEU 117 -14.060 -3.543 4.545 912 HD23 LEU 117 3HD2 LEU 117 -14.546 -1.847 4.523 913 H GLU 118 H GLU 118 -17.134 0.331 2.088 914 HA GLU 118 HA GLU 118 -18.492 -1.961 2.806 915 HB2 GLU 118 1HB GLU 118 -18.312 -0.088 4.457 916 HB3 GLU 118 2HB GLU 118 -19.227 0.934 3.359 917 HG2 GLU 118 1HG GLU 118 -20.620 0.093 5.195 918 HG3 GLU 118 2HG GLU 118 -21.187 -0.483 3.628 919 H GLU 119 H GLU 119 -18.018 -0.397 0.301 920 HA GLU 119 HA GLU 119 -20.611 -0.387 -0.820 921 HB2 GLU 119 1HB GLU 119 -17.925 0.120 -1.971 922 HB3 GLU 119 2HB GLU 119 -19.399 0.276 -2.969 923 HG2 GLU 119 1HG GLU 119 -18.773 1.550 -0.475 924 HG3 GLU 119 2HG GLU 119 -18.453 2.422 -2.023 925 H ALA 120 H ALA 120 -17.496 -1.793 -0.829 926 HA ALA 120 HA ALA 120 -17.860 -3.871 -2.644 927 HB1 ALA 120 1HB ALA 120 -15.773 -2.733 -1.885 928 HB2 ALA 120 2HB ALA 120 -15.728 -4.478 -2.156 929 HB3 ALA 120 3HB ALA 120 -15.827 -3.831 -0.498 930 H LYS 121 H LYS 121 -17.692 -3.899 0.688 931 HA LYS 121 HA LYS 121 -18.299 -6.518 1.355 932 HB2 LYS 121 1HB LYS 121 -18.309 -3.897 2.367 933 HB3 LYS 121 2HB LYS 121 -19.246 -5.139 3.353 934 HG2 LYS 121 1HG LYS 121 -17.216 -6.190 3.349 935 HG3 LYS 121 2HG LYS 121 -16.508 -4.944 2.350 936 HD2 LYS 121 1HD LYS 121 -15.893 -4.593 4.763 937 HD3 LYS 121 2HD LYS 121 -16.740 -3.359 3.786 938 HE2 LYS 121 1HE LYS 121 -17.713 -3.391 6.013 939 HE3 LYS 121 2HE LYS 121 -18.725 -3.975 4.661 940 HZ1 LYS 121 1HZ LYS 121 -18.929 -5.309 6.708 941 HZ2 LYS 121 2HZ LYS 121 -17.293 -5.721 6.567 942 HZ3 LYS 121 3HZ LYS 121 -18.391 -6.234 5.383 943 H ALA 122 H ALA 122 -20.350 -4.039 1.599 944 HA ALA 122 HA ALA 122 -22.588 -5.336 1.834 945 HB1 ALA 122 1HB ALA 122 -22.089 -3.123 2.065 946 HB2 ALA 122 2HB ALA 122 -23.663 -3.414 1.203 947 HB3 ALA 122 3HB ALA 122 -22.156 -2.955 0.301 948 H ARG 123 H ARG 123 -20.664 -5.269 -1.115 949 HA ARG 123 HA ARG 123 -22.885 -5.580 -2.700 950 HB2 ARG 123 1HB ARG 123 -21.569 -4.615 -4.264 951 HB3 ARG 123 2HB ARG 123 -20.361 -4.574 -2.943 952 HG2 ARG 123 1HG ARG 123 -19.691 -6.773 -3.571 953 HG3 ARG 123 2HG ARG 123 -20.622 -6.656 -5.088 954 HD2 ARG 123 1HD ARG 123 -19.350 -4.476 -5.484 955 HD3 ARG 123 2HD ARG 123 -18.449 -5.014 -4.041 956 HE ARG 123 HE ARG 123 -18.255 -7.103 -5.710 957 HH11 ARG 123 1HH1 ARG 123 -17.412 -3.687 -6.059 958 HH12 ARG 123 2HH1 ARG 123 -16.111 -3.911 -7.127 959 HH21 ARG 123 1HH2 ARG 123 -16.426 -7.477 -7.219 960 HH22 ARG 123 2HH2 ARG 123 -15.534 -6.163 -7.814 961 H VAL 124 H VAL 124 -20.608 -7.038 -1.068 962 HA VAL 124 HA VAL 124 -20.210 -9.284 -2.747 963 HB VAL 124 HB VAL 124 -19.150 -8.629 -0.097 964 HG11 VAL 124 1HG1 VAL 124 -19.219 -10.922 -0.257 965 HG12 VAL 124 2HG1 VAL 124 -17.489 -10.486 -0.552 966 HG13 VAL 124 3HG1 VAL 124 -18.606 -10.895 -1.914 967 HG21 VAL 124 1HG2 VAL 124 -17.876 -8.556 -2.790 968 HG22 VAL 124 2HG2 VAL 124 -17.024 -8.361 -1.223 969 HG23 VAL 124 3HG2 VAL 124 -18.354 -7.268 -1.656 970 H GLN 125 H GLN 125 -20.801 -8.492 0.267 971 HA GLN 125 HA GLN 125 -21.689 -9.249 2.108 972 HB2 GLN 125 1HB GLN 125 -22.359 -8.124 0.387 973 HB3 GLN 125 2HB GLN 125 -22.925 -7.636 1.456 974 HG2 GLN 125 1HG GLN 125 -24.330 -7.713 -0.647 975 HG3 GLN 125 2HG GLN 125 -23.543 -9.299 -0.859 976 HE21 GLN 125 1HE2 GLN 125 -26.843 -10.478 -0.751 977 HE22 GLN 125 2HE2 GLN 125 -25.511 -10.002 -1.761 978 H ALA 126 H ALA 126 -24.370 -10.430 2.165 979 HA ALA 126 HA ALA 126 -25.529 -12.278 2.248 980 HB1 ALA 126 1HB ALA 126 -25.666 -13.344 0.398 981 HB2 ALA 126 2HB ALA 126 -23.877 -13.546 0.219 982 HB3 ALA 126 3HB ALA 126 -24.641 -11.931 -0.050 983 H GLN 127 H GLN 127 -22.298 -13.739 1.512 984 HA GLN 127 HA GLN 127 -22.256 -15.599 3.438 985 HB2 GLN 127 1HB GLN 127 -21.169 -14.808 1.044 986 HB3 GLN 127 2HB GLN 127 -19.901 -14.482 2.192 987 HG2 GLN 127 1HG GLN 127 -21.506 -16.839 1.980 988 HG3 GLN 127 2HG GLN 127 -20.003 -16.762 1.045 989 HE21 GLN 127 1HE2 GLN 127 -17.811 -17.455 3.760 990 HE22 GLN 127 2HE2 GLN 127 -17.940 -16.862 2.199 991 H ARG 128 H ARG 128 -20.811 -15.553 5.085 992 HA ARG 128 HA ARG 128 -20.617 -13.805 6.923 993 HB2 ARG 128 1HB ARG 128 -18.931 -16.021 6.094 994 HB3 ARG 128 2HB ARG 128 -18.346 -14.775 7.218 995 HG2 ARG 128 1HG ARG 128 -20.989 -15.921 7.736 996 HG3 ARG 128 2HG ARG 128 -19.563 -16.905 8.220 997 HD2 ARG 128 1HD ARG 128 -20.421 -14.172 8.893 998 HD3 ARG 128 2HD ARG 128 -20.307 -15.519 10.033 999 HE ARG 128 HE ARG 128 -17.776 -15.370 9.211 1000 HH11 ARG 128 1HH1 ARG 128 -19.853 -12.725 10.297 1001 HH12 ARG 128 2HH1 ARG 128 -18.575 -11.727 10.809 1002 HH21 ARG 128 1HH2 ARG 128 -16.035 -14.047 9.846 1003 HH22 ARG 128 2HH2 ARG 128 -16.285 -12.515 10.558 1004 H ALA 129 H ALA 129 -18.974 -13.534 4.033 1005 HA ALA 129 HA ALA 129 -16.507 -12.773 4.444 1006 HB1 ALA 129 1HB ALA 129 -16.318 -11.996 2.394 1007 HB2 ALA 129 2HB ALA 129 -18.067 -11.667 2.191 1008 HB3 ALA 129 3HB ALA 129 -17.446 -13.339 2.372 1009 H GLU 130 H GLU 130 -15.305 -11.323 5.285 1010 HA GLU 130 HA GLU 130 -15.670 -8.724 4.905 1011 HB2 GLU 130 1HB GLU 130 -16.837 -8.872 7.005 1012 HB3 GLU 130 2HB GLU 130 -15.794 -10.177 7.565 1013 HG2 GLU 130 1HG GLU 130 -15.056 -8.287 8.730 1014 HG3 GLU 130 2HG GLU 130 -14.058 -8.762 7.295 1015 H GLN 131 H GLN 131 -14.078 -10.911 7.143 1016 HA GLN 131 HA GLN 131 -11.667 -11.090 5.468 1017 HB2 GLN 131 1HB GLN 131 -11.383 -9.934 7.723 1018 HB3 GLN 131 2HB GLN 131 -11.967 -11.397 8.487 1019 HG2 GLN 131 1HG GLN 131 -9.631 -11.420 8.733 1020 HG3 GLN 131 2HG GLN 131 -9.983 -12.576 7.455 1021 HE21 GLN 131 1HE2 GLN 131 -8.107 -10.875 5.049 1022 HE22 GLN 131 2HE2 GLN 131 -9.216 -12.150 5.359 1023 H GLN 132 H GLN 132 -12.643 -12.898 4.338 1024 HA GLN 132 HA GLN 132 -13.217 -15.222 5.948 1025 HB2 GLN 132 1HB GLN 132 -15.060 -13.780 4.194 1026 HB3 GLN 132 2HB GLN 132 -15.250 -15.487 4.464 1027 HG2 GLN 132 1HG GLN 132 -15.204 -13.409 6.558 1028 HG3 GLN 132 2HG GLN 132 -16.673 -14.111 5.917 1029 HE21 GLN 132 1HE2 GLN 132 -15.507 -17.456 7.268 1030 HE22 GLN 132 2HE2 GLN 132 -15.613 -16.848 5.674 1031 H ALA 133 H ALA 133 -14.014 -16.966 4.432 1032 HA ALA 133 HA ALA 133 -13.341 -16.789 1.686 1033 HB1 ALA 133 1HB ALA 133 -13.026 -19.281 1.939 1034 HB2 ALA 133 2HB ALA 133 -13.008 -19.055 3.696 1035 HB3 ALA 133 3HB ALA 133 -11.748 -18.327 2.688 Start of MODEL 15 1 H1 MET 1 1H MET 1 23.573 -0.733 -6.367 2 H2 MET 1 2H MET 1 23.599 -1.763 -5.059 3 H3 MET 1 3H MET 1 23.330 -0.089 -4.802 4 HA MET 1 HA MET 1 21.276 -1.428 -4.685 5 HB2 MET 1 1HB MET 1 21.150 0.879 -5.660 6 HB3 MET 1 2HB MET 1 21.472 0.209 -7.250 7 HG2 MET 1 1HG MET 1 19.374 -1.053 -7.143 8 HG3 MET 1 2HG MET 1 19.054 -0.379 -5.550 9 HE1 MET 1 1HE MET 1 19.981 2.673 -5.865 10 HE2 MET 1 2HE MET 1 18.469 2.188 -5.099 11 HE3 MET 1 3HE MET 1 18.463 3.425 -6.355 12 H GLY 2 H GLY 2 20.085 -3.191 -5.574 13 HA2 GLY 2 1HA GLY 2 19.887 -5.115 -6.849 14 HA3 GLY 2 2HA GLY 2 21.045 -4.435 -8.005 15 H SER 3 H SER 3 21.584 -4.447 -4.653 16 HA SER 3 HA SER 3 23.480 -6.585 -4.526 17 HB2 SER 3 1HB SER 3 25.257 -4.931 -3.890 18 HB3 SER 3 2HB SER 3 24.765 -4.724 -5.576 19 HG SER 3 HG SER 3 23.521 -3.343 -3.495 20 H SER 4 H SER 4 23.520 -7.047 -2.208 21 HA SER 4 HA SER 4 21.555 -5.574 -0.770 22 HB2 SER 4 1HB SER 4 22.103 -7.236 1.064 23 HB3 SER 4 2HB SER 4 21.501 -7.930 -0.443 24 HG SER 4 HG SER 4 23.226 -9.086 -0.348 25 H HIS 5 H HIS 5 24.543 -6.633 0.623 26 HA HIS 5 HA HIS 5 26.153 -5.662 1.922 27 HB2 HIS 5 1HB HIS 5 26.576 -4.155 -0.033 28 HB3 HIS 5 2HB HIS 5 25.382 -3.029 0.590 29 HD1 HIS 5 HD1 HIS 5 28.955 -3.956 0.831 30 HD2 HIS 5 HD2 HIS 5 26.258 -1.616 2.979 31 HE1 HIS 5 HE1 HIS 5 30.356 -2.505 2.320 32 HE2 HIS 5 HE2 HIS 5 28.718 -1.059 3.568 33 H HIS 6 H HIS 6 23.072 -4.070 1.919 34 HA HIS 6 HA HIS 6 23.174 -2.910 4.524 35 HB2 HIS 6 1HB HIS 6 20.775 -3.795 2.843 36 HB3 HIS 6 2HB HIS 6 20.645 -2.883 4.335 37 HD1 HIS 6 HD1 HIS 6 19.499 -0.735 3.185 38 HD2 HIS 6 HD2 HIS 6 23.155 -1.849 1.474 39 HE1 HIS 6 HE1 HIS 6 20.151 1.121 1.761 40 HE2 HIS 6 HE2 HIS 6 22.086 0.270 0.451 41 H HIS 7 H HIS 7 22.809 -3.898 6.474 42 HA HIS 7 HA HIS 7 21.877 -6.646 6.403 43 HB2 HIS 7 1HB HIS 7 24.347 -5.679 7.874 44 HB3 HIS 7 2HB HIS 7 23.551 -7.209 8.217 45 HD1 HIS 7 HD1 HIS 7 26.460 -6.243 6.708 46 HD2 HIS 7 HD2 HIS 7 23.273 -8.518 5.308 47 HE1 HIS 7 HE1 HIS 7 27.401 -7.659 4.856 48 HE2 HIS 7 HE2 HIS 7 25.493 -9.147 4.154 49 H HIS 8 H HIS 8 21.570 -7.337 8.798 50 HA HIS 8 HA HIS 8 20.381 -7.180 10.652 51 HB2 HIS 8 1HB HIS 8 21.707 -5.372 11.561 52 HB3 HIS 8 2HB HIS 8 20.948 -4.196 10.501 53 HD1 HIS 8 HD1 HIS 8 20.344 -6.095 13.717 54 HD2 HIS 8 HD2 HIS 8 18.477 -3.174 11.415 55 HE1 HIS 8 HE1 HIS 8 18.446 -5.240 15.113 56 HE2 HIS 8 HE2 HIS 8 17.132 -3.846 13.493 57 H HIS 9 H HIS 9 18.558 -8.033 9.938 58 HA HIS 9 HA HIS 9 16.540 -6.227 8.962 59 HB2 HIS 9 1HB HIS 9 16.357 -8.479 8.000 60 HB3 HIS 9 2HB HIS 9 16.483 -9.229 9.586 61 HD1 HIS 9 HD1 HIS 9 13.860 -7.056 7.590 62 HD2 HIS 9 HD2 HIS 9 14.100 -9.719 10.806 63 HE1 HIS 9 HE1 HIS 9 11.618 -7.308 8.409 64 HE2 HIS 9 HE2 HIS 9 11.918 -8.360 10.596 65 H HIS 10 H HIS 10 14.490 -6.157 10.193 66 HA HIS 10 HA HIS 10 13.195 -6.013 11.862 67 HB2 HIS 10 1HB HIS 10 14.655 -7.854 13.097 68 HB3 HIS 10 2HB HIS 10 15.194 -6.471 14.048 69 HD1 HIS 10 HD1 HIS 10 12.591 -8.921 13.845 70 HD2 HIS 10 HD2 HIS 10 12.829 -5.002 15.179 71 HE1 HIS 10 HE1 HIS 10 10.617 -8.610 15.336 72 HE2 HIS 10 HE2 HIS 10 10.545 -6.138 15.444 73 H SER 11 H SER 11 12.995 -4.255 11.194 74 HA SER 11 HA SER 11 14.133 -1.764 12.407 75 HB2 SER 11 1HB SER 11 12.966 -0.909 10.491 76 HB3 SER 11 2HB SER 11 14.364 -1.856 9.948 77 HG SER 11 HG SER 11 12.979 -3.317 9.061 78 H GLN 12 H GLN 12 11.357 -2.458 11.190 79 HA GLN 12 HA GLN 12 10.311 -1.647 13.817 80 HB2 GLN 12 1HB GLN 12 9.439 -0.415 11.224 81 HB3 GLN 12 2HB GLN 12 9.065 0.143 12.860 82 HG2 GLN 12 1HG GLN 12 11.123 1.065 13.180 83 HG3 GLN 12 2HG GLN 12 11.967 -0.002 12.054 84 HE21 GLN 12 1HE2 GLN 12 11.174 2.063 9.246 85 HE22 GLN 12 2HE2 GLN 12 11.521 0.449 9.758 86 H ASP 13 H ASP 13 10.375 -3.993 12.166 87 HA ASP 13 HA ASP 13 7.711 -4.481 11.538 88 HB2 ASP 13 1HB ASP 13 8.765 -6.560 11.074 89 HB3 ASP 13 2HB ASP 13 9.067 -5.284 9.862 90 HA PRO 14 HA PRO 14 7.679 -7.368 15.083 91 HB2 PRO 14 2HB PRO 14 5.055 -8.219 14.406 92 HB3 PRO 14 1HB PRO 14 5.490 -6.885 15.496 93 HG2 PRO 14 2HG PRO 14 4.176 -6.517 13.117 94 HG3 PRO 14 1HG PRO 14 5.172 -5.278 13.913 95 HD2 PRO 14 2HD PRO 14 5.984 -7.210 11.762 96 HD3 PRO 14 1HD PRO 14 6.236 -5.462 11.767 97 H MET 15 H MET 15 5.937 -8.958 12.159 98 HA MET 15 HA MET 15 6.284 -11.415 13.086 99 HB2 MET 15 1HB MET 15 4.435 -10.832 11.921 100 HB3 MET 15 2HB MET 15 5.320 -10.173 10.530 101 HG2 MET 15 1HG MET 15 5.017 -12.897 11.505 102 HG3 MET 15 2HG MET 15 3.906 -12.062 10.423 103 HE1 MET 15 1HE MET 15 4.493 -11.302 7.935 104 HE2 MET 15 2HE MET 15 6.057 -11.535 7.157 105 HE3 MET 15 3HE MET 15 5.913 -10.429 8.519 106 H GLU 16 H GLU 16 8.503 -9.535 11.370 107 HA GLU 16 HA GLU 16 10.701 -9.967 10.792 108 HB2 GLU 16 1HB GLU 16 9.970 -12.851 11.206 109 HB3 GLU 16 2HB GLU 16 11.435 -12.445 10.340 110 HG2 GLU 16 1HG GLU 16 10.815 -11.477 13.116 111 HG3 GLU 16 2HG GLU 16 11.719 -12.955 12.767 112 H ASN 17 H ASN 17 11.982 -10.988 9.033 113 HA ASN 17 HA ASN 17 10.646 -11.671 6.569 114 HB2 ASN 17 1HB ASN 17 10.795 -9.040 6.624 115 HB3 ASN 17 2HB ASN 17 12.444 -9.404 6.760 116 HD21 ASN 17 1HD2 ASN 17 10.760 -9.919 3.088 117 HD22 ASN 17 2HD2 ASN 17 9.806 -9.859 4.508 118 H GLN 18 H GLN 18 11.743 -13.377 7.060 119 HA GLN 18 HA GLN 18 14.535 -13.371 7.303 120 HB2 GLN 18 1HB GLN 18 12.295 -15.060 7.702 121 HB3 GLN 18 2HB GLN 18 13.694 -15.966 7.306 122 HG2 GLN 18 1HG GLN 18 13.142 -14.017 9.593 123 HG3 GLN 18 2HG GLN 18 13.452 -15.740 9.772 124 HE21 GLN 18 1HE2 GLN 18 16.604 -14.673 10.855 125 HE22 GLN 18 2HE2 GLN 18 15.053 -15.302 11.302 126 HA PRO 19 HA PRO 19 14.499 -15.490 2.979 127 HB2 PRO 19 2HB PRO 19 11.610 -15.268 2.304 128 HB3 PRO 19 1HB PRO 19 12.729 -16.608 1.878 129 HG2 PRO 19 2HG PRO 19 10.871 -16.904 3.700 130 HG3 PRO 19 1HG PRO 19 12.503 -17.553 3.971 131 HD2 PRO 19 2HD PRO 19 11.274 -15.125 5.246 132 HD3 PRO 19 1HD PRO 19 12.386 -16.333 5.849 133 H LYS 20 H LYS 20 15.393 -13.979 1.596 134 HA LYS 20 HA LYS 20 14.740 -11.487 1.529 135 HB2 LYS 20 1HB LYS 20 16.287 -13.353 -0.059 136 HB3 LYS 20 2HB LYS 20 16.257 -11.643 -0.366 137 HG2 LYS 20 1HG LYS 20 17.137 -13.168 2.000 138 HG3 LYS 20 2HG LYS 20 18.213 -12.091 1.081 139 HD2 LYS 20 1HD LYS 20 17.720 -10.546 2.857 140 HD3 LYS 20 2HD LYS 20 16.202 -10.604 1.911 141 HE2 LYS 20 1HE LYS 20 15.096 -11.925 3.225 142 HE3 LYS 20 2HE LYS 20 16.394 -12.597 4.126 143 HZ1 LYS 20 1HZ LYS 20 16.510 -10.185 5.119 144 HZ2 LYS 20 2HZ LYS 20 15.170 -11.149 5.495 145 HZ3 LYS 20 3HZ LYS 20 15.000 -9.974 4.345 146 H LEU 21 H LEU 21 13.383 -10.309 0.576 147 HA LEU 21 HA LEU 21 11.204 -10.284 -0.038 148 HB2 LEU 21 1HB LEU 21 13.327 -9.282 -1.635 149 HB3 LEU 21 2HB LEU 21 11.802 -8.556 -1.887 150 HG LEU 21 HG LEU 21 13.801 -8.351 -0.016 151 HD11 LEU 21 1HD1 LEU 21 12.427 -6.873 -1.500 152 HD12 LEU 21 2HD1 LEU 21 13.177 -6.485 0.129 153 HD13 LEU 21 3HD1 LEU 21 11.433 -6.873 0.076 154 HD21 LEU 21 1HD2 LEU 21 12.599 -7.708 1.733 155 HD22 LEU 21 2HD2 LEU 21 12.247 -9.486 1.430 156 HD23 LEU 21 3HD2 LEU 21 11.143 -8.182 0.807 157 H ASN 22 H ASN 22 12.730 -12.028 -2.356 158 HA ASN 22 HA ASN 22 12.060 -13.652 -3.718 159 HB2 ASN 22 1HB ASN 22 9.750 -13.515 -1.834 160 HB3 ASN 22 2HB ASN 22 10.084 -14.912 -3.000 161 HD21 ASN 22 1HD2 ASN 22 12.824 -15.031 -0.757 162 HD22 ASN 22 2HD2 ASN 22 12.806 -14.727 -2.472 163 H SER 23 H SER 23 11.275 -10.846 -3.931 164 HA SER 23 HA SER 23 10.906 -9.551 -5.684 165 HB2 SER 23 1HB SER 23 10.671 -10.474 -8.020 166 HB3 SER 23 2HB SER 23 12.052 -11.067 -7.129 167 HG SER 23 HG SER 23 10.087 -12.760 -6.657 168 H SER 24 H SER 24 8.627 -10.575 -3.982 169 HA SER 24 HA SER 24 6.865 -8.721 -5.114 170 HB2 SER 24 1HB SER 24 4.914 -10.256 -5.529 171 HB3 SER 24 2HB SER 24 6.233 -10.430 -6.683 172 HG SER 24 HG SER 24 6.659 -12.357 -5.972 173 H LYS 25 H LYS 25 5.665 -11.541 -3.268 174 HA LYS 25 HA LYS 25 4.059 -10.199 -1.659 175 HB2 LYS 25 1HB LYS 25 3.911 -12.386 -2.176 176 HB3 LYS 25 2HB LYS 25 5.545 -12.709 -1.725 177 HG2 LYS 25 1HG LYS 25 5.155 -13.022 0.265 178 HG3 LYS 25 2HG LYS 25 4.235 -11.533 0.405 179 HD2 LYS 25 1HD LYS 25 2.852 -13.396 1.030 180 HD3 LYS 25 2HD LYS 25 2.425 -12.682 -0.565 181 HE2 LYS 25 1HE LYS 25 2.495 -15.245 -0.674 182 HE3 LYS 25 2HE LYS 25 3.519 -14.229 -1.729 183 HZ1 LYS 25 1HZ LYS 25 4.665 -15.377 0.779 184 HZ2 LYS 25 2HZ LYS 25 5.467 -14.723 -0.444 185 HZ3 LYS 25 3HZ LYS 25 4.763 -16.236 -0.666 186 H GLU 26 H GLU 26 6.977 -11.790 -0.907 187 HA GLU 26 HA GLU 26 7.005 -10.882 1.610 188 HB2 GLU 26 1HB GLU 26 9.171 -12.234 0.049 189 HB3 GLU 26 2HB GLU 26 9.576 -11.614 1.632 190 HG2 GLU 26 1HG GLU 26 9.057 -14.010 1.660 191 HG3 GLU 26 2HG GLU 26 7.961 -13.085 2.667 192 H VAL 27 H VAL 27 7.793 -9.069 -1.049 193 HA VAL 27 HA VAL 27 9.654 -7.255 0.362 194 HB VAL 27 HB VAL 27 10.390 -6.560 -1.537 195 HG11 VAL 27 1HG1 VAL 27 10.228 -7.891 -3.371 196 HG12 VAL 27 2HG1 VAL 27 8.579 -8.412 -2.765 197 HG13 VAL 27 3HG1 VAL 27 10.065 -8.850 -1.833 198 HG21 VAL 27 1HG2 VAL 27 7.679 -6.460 -2.663 199 HG22 VAL 27 2HG2 VAL 27 9.151 -5.550 -3.200 200 HG23 VAL 27 3HG2 VAL 27 8.427 -5.305 -1.551 201 H ILE 28 H ILE 28 6.153 -7.560 -0.235 202 HA ILE 28 HA ILE 28 5.650 -4.983 0.410 203 HB ILE 28 HB ILE 28 4.441 -7.590 1.010 204 HG12 ILE 28 1HG1 ILE 28 3.528 -7.310 -1.218 205 HG13 ILE 28 2HG1 ILE 28 2.749 -6.309 -0.146 206 HG21 ILE 28 1HG2 ILE 28 2.318 -6.461 1.800 207 HG22 ILE 28 2HG2 ILE 28 3.098 -4.908 1.676 208 HG23 ILE 28 3HG2 ILE 28 3.716 -6.121 2.823 209 HD11 ILE 28 1HD1 ILE 28 3.582 -5.141 -2.203 210 HD12 ILE 28 2HD1 ILE 28 5.089 -5.156 -1.264 211 HD13 ILE 28 3HD1 ILE 28 3.735 -4.267 -0.616 212 H ALA 29 H ALA 29 6.313 -7.847 2.001 213 HA ALA 29 HA ALA 29 6.118 -7.029 4.484 214 HB1 ALA 29 1HB ALA 29 6.148 -9.204 4.011 215 HB2 ALA 29 2HB ALA 29 7.673 -8.944 4.971 216 HB3 ALA 29 3HB ALA 29 7.666 -9.003 3.156 217 H PHE 30 H PHE 30 9.019 -6.812 2.371 218 HA PHE 30 HA PHE 30 10.729 -5.749 4.305 219 HB2 PHE 30 2HB PHE 30 11.865 -6.228 2.486 220 HB3 PHE 30 1HB PHE 30 10.421 -5.972 1.466 221 HD1 PHE 30 1HD PHE 30 12.793 -3.991 3.491 222 HD2 PHE 30 2HD PHE 30 10.486 -4.390 -0.037 223 HE1 PHE 30 1HE PHE 30 13.732 -1.886 2.650 224 HE2 PHE 30 2HE PHE 30 11.398 -2.352 -0.859 225 HZ PHE 30 HZ PHE 30 13.042 -1.078 0.471 226 H LEU 31 H LEU 31 8.582 -4.468 1.857 227 HA LEU 31 HA LEU 31 8.926 -1.820 2.145 228 HB2 LEU 31 1HB LEU 31 6.781 -3.608 1.465 229 HB3 LEU 31 2HB LEU 31 6.281 -1.929 1.412 230 HG LEU 31 HG LEU 31 8.259 -3.463 -0.114 231 HD11 LEU 31 1HD1 LEU 31 5.813 -2.989 -0.638 232 HD12 LEU 31 2HD1 LEU 31 7.180 -2.961 -1.776 233 HD13 LEU 31 3HD1 LEU 31 6.464 -1.412 -1.304 234 HD21 LEU 31 1HD2 LEU 31 8.885 -1.194 -1.098 235 HD22 LEU 31 2HD2 LEU 31 9.604 -1.857 0.340 236 HD23 LEU 31 3HD2 LEU 31 8.333 -0.575 0.491 237 H ALA 32 H ALA 32 7.048 -3.975 3.906 238 HA ALA 32 HA ALA 32 5.677 -2.049 5.528 239 HB1 ALA 32 1HB ALA 32 4.649 -3.864 6.401 240 HB2 ALA 32 2HB ALA 32 6.088 -4.890 5.934 241 HB3 ALA 32 3HB ALA 32 5.011 -4.221 4.707 242 H GLU 33 H GLU 33 8.601 -3.839 5.863 243 HA GLU 33 HA GLU 33 8.597 -3.539 8.622 244 HB2 GLU 33 1HB GLU 33 10.607 -4.785 8.665 245 HB3 GLU 33 2HB GLU 33 9.565 -5.040 7.204 246 HG2 GLU 33 1HG GLU 33 10.945 -4.317 5.826 247 HG3 GLU 33 2HG GLU 33 11.568 -3.045 6.806 248 H ARG 34 H ARG 34 9.638 -2.127 6.010 249 HA ARG 34 HA ARG 34 11.476 -0.146 6.832 250 HB2 ARG 34 1HB ARG 34 10.978 -1.734 4.844 251 HB3 ARG 34 2HB ARG 34 10.301 -0.422 4.042 252 HG2 ARG 34 1HG ARG 34 12.516 -0.371 3.433 253 HG3 ARG 34 2HG ARG 34 12.409 0.660 4.927 254 HD2 ARG 34 1HD ARG 34 13.219 -0.915 6.341 255 HD3 ARG 34 2HD ARG 34 12.883 -2.166 5.155 256 HE ARG 34 HE ARG 34 14.852 -0.544 4.104 257 HH11 ARG 34 1HH1 ARG 34 14.443 -2.943 6.768 258 HH12 ARG 34 2HH1 ARG 34 16.088 -3.214 6.947 259 HH21 ARG 34 1HH2 ARG 34 17.093 -0.963 4.373 260 HH22 ARG 34 2HH2 ARG 34 17.672 -2.069 5.550 261 H PHE 35 H PHE 35 8.148 -0.224 5.491 262 HA PHE 35 HA PHE 35 7.764 2.519 6.336 263 HB2 PHE 35 2HB PHE 35 7.041 0.648 4.423 264 HB3 PHE 35 1HB PHE 35 5.827 1.809 4.421 265 HD1 PHE 35 1HD PHE 35 7.914 4.216 4.655 266 HD2 PHE 35 2HD PHE 35 7.991 0.532 2.585 267 HE1 PHE 35 1HE PHE 35 9.617 5.080 3.146 268 HE2 PHE 35 2HE PHE 35 9.566 1.300 1.143 269 HZ PHE 35 HZ PHE 35 10.505 3.574 1.305 270 HA PRO 36 HA PRO 36 5.131 -0.256 9.391 271 HB2 PRO 36 2HB PRO 36 5.574 2.180 10.896 272 HB3 PRO 36 1HB PRO 36 5.989 0.495 11.392 273 HG2 PRO 36 2HG PRO 36 7.543 2.667 10.336 274 HG3 PRO 36 1HG PRO 36 8.086 1.133 11.029 275 HD2 PRO 36 2HD PRO 36 8.403 1.742 8.486 276 HD3 PRO 36 1HD PRO 36 8.126 0.083 9.028 277 H HIS 37 H HIS 37 4.819 2.717 7.724 278 HA HIS 37 HA HIS 37 2.139 3.042 8.785 279 HB2 HIS 37 1HB HIS 37 2.363 5.368 7.450 280 HB3 HIS 37 2HB HIS 37 2.841 5.263 9.169 281 HD1 HIS 37 HD1 HIS 37 5.169 6.227 9.487 282 HD2 HIS 37 HD2 HIS 37 4.370 4.989 5.627 283 HE1 HIS 37 HE1 HIS 37 7.220 6.860 8.197 284 HE2 HIS 37 HE2 HIS 37 6.580 6.439 5.815 285 H CYS 38 H CYS 38 3.849 3.093 5.669 286 HA CYS 38 HA CYS 38 1.668 3.163 4.150 287 HB2 CYS 38 2HB CYS 38 4.309 1.874 3.459 288 HB3 CYS 38 1HB CYS 38 3.134 2.692 2.435 289 HG CYS 38 HG CYS 38 3.284 5.006 3.834 290 H PHE 39 H PHE 39 3.742 0.456 5.199 291 HA PHE 39 HA PHE 39 1.953 -1.365 3.924 292 HB2 PHE 39 2HB PHE 39 4.673 -0.787 4.422 293 HB3 PHE 39 1HB PHE 39 4.570 -2.377 4.013 294 HD1 PHE 39 1HD PHE 39 5.909 0.104 3.063 295 HD2 PHE 39 2HD PHE 39 2.493 -1.975 1.711 296 HE1 PHE 39 1HE PHE 39 6.315 0.930 1.133 297 HE2 PHE 39 2HE PHE 39 2.871 -1.098 -0.510 298 HZ PHE 39 HZ PHE 39 4.779 0.413 -0.916 299 H SER 40 H SER 40 1.596 -3.262 5.000 300 HA SER 40 HA SER 40 1.799 -3.465 8.005 301 HB2 SER 40 1HB SER 40 0.324 -4.896 5.907 302 HB3 SER 40 2HB SER 40 0.331 -5.241 7.649 303 HG SER 40 HG SER 40 -1.434 -3.738 6.499 304 H ALA 41 H ALA 41 1.445 -6.214 6.361 305 HA ALA 41 HA ALA 41 3.021 -7.579 5.128 306 HB1 ALA 41 1HB ALA 41 4.425 -6.634 7.463 307 HB2 ALA 41 2HB ALA 41 4.868 -6.355 5.778 308 HB3 ALA 41 3HB ALA 41 5.141 -7.999 6.521 309 H GLU 42 H GLU 42 2.308 -6.706 8.160 310 HA GLU 42 HA GLU 42 1.807 -8.983 9.617 311 HB2 GLU 42 1HB GLU 42 1.085 -6.330 9.375 312 HB3 GLU 42 2HB GLU 42 0.417 -7.107 10.647 313 HG2 GLU 42 1HG GLU 42 3.166 -6.217 9.992 314 HG3 GLU 42 2HG GLU 42 2.359 -6.020 11.552 315 H GLY 43 H GLY 43 0.123 -6.758 8.061 316 HA2 GLY 43 1HA GLY 43 -2.455 -7.670 9.054 317 HA3 GLY 43 2HA GLY 43 -1.998 -6.118 8.395 318 H GLU 44 H GLU 44 -1.187 -8.528 6.796 319 HA GLU 44 HA GLU 44 -1.570 -9.460 4.527 320 HB2 GLU 44 1HB GLU 44 -3.939 -9.594 5.519 321 HB3 GLU 44 2HB GLU 44 -4.013 -7.951 4.863 322 HG2 GLU 44 1HG GLU 44 -3.696 -8.785 2.683 323 HG3 GLU 44 2HG GLU 44 -3.669 -10.464 3.241 324 H ALA 45 H ALA 45 -3.100 -6.341 4.799 325 HA ALA 45 HA ALA 45 -1.150 -5.149 3.078 326 HB1 ALA 45 1HB ALA 45 -2.882 -4.344 1.506 327 HB2 ALA 45 2HB ALA 45 -4.020 -5.494 2.325 328 HB3 ALA 45 3HB ALA 45 -2.559 -6.091 1.464 329 H ARG 46 H ARG 46 -2.670 -2.860 2.515 330 HA ARG 46 HA ARG 46 -4.015 -1.830 4.726 331 HB2 ARG 46 1HB ARG 46 -1.619 -1.935 5.578 332 HB3 ARG 46 2HB ARG 46 -1.161 -0.901 4.237 333 HG2 ARG 46 1HG ARG 46 -2.527 0.884 5.103 334 HG3 ARG 46 2HG ARG 46 -3.101 -0.159 6.411 335 HD2 ARG 46 1HD ARG 46 -0.269 0.712 5.923 336 HD3 ARG 46 2HD ARG 46 -1.346 1.328 7.175 337 HE ARG 46 HE ARG 46 -1.041 -1.501 7.320 338 HH11 ARG 46 1HH1 ARG 46 0.496 1.509 8.094 339 HH12 ARG 46 2HH1 ARG 46 1.478 0.904 9.361 340 HH21 ARG 46 1HH2 ARG 46 0.217 -2.400 9.066 341 HH22 ARG 46 2HH2 ARG 46 1.304 -1.394 9.929 342 HA PRO 47 HA PRO 47 -4.974 0.720 1.192 343 HB2 PRO 47 2HB PRO 47 -4.982 3.073 3.017 344 HB3 PRO 47 1HB PRO 47 -6.300 2.519 1.937 345 HG2 PRO 47 2HG PRO 47 -6.423 2.174 4.565 346 HG3 PRO 47 1HG PRO 47 -7.079 0.997 3.413 347 HD2 PRO 47 2HD PRO 47 -4.662 0.806 5.103 348 HD3 PRO 47 1HD PRO 47 -5.739 -0.469 4.503 349 H LEU 48 H LEU 48 -3.734 1.751 -0.295 350 HA LEU 48 HA LEU 48 -1.327 3.136 0.433 351 HB2 LEU 48 1HB LEU 48 -0.485 1.054 0.580 352 HB3 LEU 48 2HB LEU 48 -1.577 0.295 -0.517 353 HG LEU 48 HG LEU 48 -0.402 1.868 -2.072 354 HD11 LEU 48 1HD1 LEU 48 1.405 1.206 0.119 355 HD12 LEU 48 2HD1 LEU 48 1.343 2.767 -0.825 356 HD13 LEU 48 3HD1 LEU 48 2.033 1.254 -1.502 357 HD21 LEU 48 1HD2 LEU 48 1.265 -0.076 -2.419 358 HD22 LEU 48 2HD2 LEU 48 -0.401 0.018 -2.912 359 HD23 LEU 48 3HD2 LEU 48 0.020 -0.850 -1.384 360 H LYS 49 H LYS 49 -0.330 4.002 -1.906 361 HA LYS 49 HA LYS 49 -2.457 4.377 -3.726 362 HB2 LYS 49 1HB LYS 49 -0.735 5.880 -4.675 363 HB3 LYS 49 2HB LYS 49 -1.438 6.511 -3.211 364 HG2 LYS 49 1HG LYS 49 0.631 6.133 -2.070 365 HG3 LYS 49 2HG LYS 49 1.173 5.098 -3.403 366 HD2 LYS 49 1HD LYS 49 1.616 6.878 -4.823 367 HD3 LYS 49 2HD LYS 49 0.611 8.043 -4.014 368 HE2 LYS 49 1HE LYS 49 2.174 8.112 -2.183 369 HE3 LYS 49 2HE LYS 49 3.212 6.901 -2.907 370 HZ1 LYS 49 1HZ LYS 49 2.855 9.733 -3.431 371 HZ2 LYS 49 2HZ LYS 49 3.168 8.864 -4.835 372 HZ3 LYS 49 3HZ LYS 49 4.290 8.880 -3.576 373 H ILE 50 H ILE 50 -1.524 4.009 -5.919 374 HA ILE 50 HA ILE 50 0.511 1.957 -5.753 375 HB ILE 50 HB ILE 50 -1.729 2.318 -7.516 376 HG12 ILE 50 1HG1 ILE 50 0.036 0.110 -6.467 377 HG13 ILE 50 2HG1 ILE 50 -1.501 0.699 -5.831 378 HG21 ILE 50 1HG2 ILE 50 0.094 2.872 -8.994 379 HG22 ILE 50 2HG2 ILE 50 -0.524 1.209 -9.418 380 HG23 ILE 50 3HG2 ILE 50 0.915 1.477 -8.343 381 HD11 ILE 50 1HD1 ILE 50 -1.093 -0.536 -8.481 382 HD12 ILE 50 2HD1 ILE 50 -2.632 -0.141 -7.647 383 HD13 ILE 50 3HD1 ILE 50 -1.536 -1.452 -7.031 384 H GLY 51 H GLY 51 0.318 4.929 -7.063 385 HA2 GLY 51 1HA GLY 51 2.838 4.817 -8.518 386 HA3 GLY 51 2HA GLY 51 2.016 6.284 -7.991 387 H ILE 52 H ILE 52 2.213 4.982 -5.056 388 HA ILE 52 HA ILE 52 4.423 5.959 -3.912 389 HB ILE 52 HB ILE 52 2.796 4.874 -2.544 390 HG12 ILE 52 1HG1 ILE 52 5.283 3.484 -2.964 391 HG13 ILE 52 2HG1 ILE 52 4.982 4.752 -1.883 392 HG21 ILE 52 1HG2 ILE 52 1.980 3.282 -4.330 393 HG22 ILE 52 2HG2 ILE 52 2.413 2.541 -2.756 394 HG23 ILE 52 3HG2 ILE 52 3.541 2.449 -4.108 395 HD11 ILE 52 1HD1 ILE 52 3.485 2.231 -1.854 396 HD12 ILE 52 2HD1 ILE 52 3.856 3.285 -0.429 397 HD13 ILE 52 3HD1 ILE 52 5.094 2.283 -1.334 398 H PHE 53 H PHE 53 4.194 3.003 -5.773 399 HA PHE 53 HA PHE 53 6.235 1.648 -4.899 400 HB2 PHE 53 2HB PHE 53 4.991 0.839 -6.401 401 HB3 PHE 53 1HB PHE 53 5.030 2.186 -7.524 402 HD1 PHE 53 1HD PHE 53 6.859 -0.163 -5.908 403 HD2 PHE 53 2HD PHE 53 6.788 2.178 -9.277 404 HE1 PHE 53 1HE PHE 53 8.543 -1.457 -6.736 405 HE2 PHE 53 2HE PHE 53 8.847 0.949 -10.167 406 HZ PHE 53 HZ PHE 53 9.670 -0.979 -8.769 407 H GLN 54 H GLN 54 6.251 4.085 -7.249 408 HA GLN 54 HA GLN 54 8.908 4.530 -7.993 409 HB2 GLN 54 1HB GLN 54 6.761 5.248 -8.933 410 HB3 GLN 54 2HB GLN 54 6.531 5.699 -7.411 411 HG2 GLN 54 1HG GLN 54 8.486 7.132 -7.702 412 HG3 GLN 54 2HG GLN 54 7.556 7.743 -9.213 413 HE21 GLN 54 1HE2 GLN 54 7.341 7.486 -5.374 414 HE22 GLN 54 2HE2 GLN 54 6.391 6.365 -5.976 415 H ASP 55 H ASP 55 7.596 5.013 -5.274 416 HA ASP 55 HA ASP 55 9.223 7.223 -4.429 417 HB2 ASP 55 1HB ASP 55 6.572 6.406 -3.779 418 HB3 ASP 55 2HB ASP 55 7.448 6.497 -2.362 419 H LEU 56 H LEU 56 8.009 4.298 -3.557 420 HA LEU 56 HA LEU 56 9.408 3.374 -1.406 421 HB2 LEU 56 1HB LEU 56 8.237 2.538 -3.969 422 HB3 LEU 56 2HB LEU 56 8.110 2.990 -2.349 423 HG LEU 56 HG LEU 56 8.796 0.403 -2.433 424 HD11 LEU 56 1HD1 LEU 56 6.922 2.280 -1.350 425 HD12 LEU 56 2HD1 LEU 56 8.520 2.121 -0.498 426 HD13 LEU 56 3HD1 LEU 56 7.331 0.766 -0.560 427 HD21 LEU 56 1HD2 LEU 56 6.645 2.011 -3.032 428 HD22 LEU 56 2HD2 LEU 56 6.419 0.530 -2.160 429 HD23 LEU 56 3HD2 LEU 56 7.100 0.462 -3.865 430 H VAL 57 H VAL 57 9.819 3.268 -4.654 431 HA VAL 57 HA VAL 57 12.154 1.946 -4.559 432 HB VAL 57 HB VAL 57 12.517 2.349 -6.915 433 HG11 VAL 57 1HG1 VAL 57 9.698 2.253 -6.721 434 HG12 VAL 57 2HG1 VAL 57 10.436 1.454 -5.397 435 HG13 VAL 57 3HG1 VAL 57 10.846 0.854 -7.088 436 HG21 VAL 57 1HG2 VAL 57 10.327 4.380 -6.532 437 HG22 VAL 57 2HG2 VAL 57 10.896 3.681 -8.059 438 HG23 VAL 57 3HG2 VAL 57 12.028 4.595 -6.949 439 H ASP 58 H ASP 58 11.617 5.374 -4.564 440 HA ASP 58 HA ASP 58 13.857 6.647 -4.944 441 HB2 ASP 58 1HB ASP 58 11.652 7.119 -3.469 442 HB3 ASP 58 2HB ASP 58 12.729 6.584 -2.354 443 H ARG 59 H ARG 59 12.866 4.658 -2.358 444 HA ARG 59 HA ARG 59 14.981 4.972 -0.532 445 HB2 ARG 59 1HB ARG 59 12.290 4.558 -0.714 446 HB3 ARG 59 2HB ARG 59 12.963 3.876 0.814 447 HG2 ARG 59 1HG ARG 59 12.985 6.051 1.626 448 HG3 ARG 59 2HG ARG 59 13.529 6.704 0.071 449 HD2 ARG 59 1HD ARG 59 11.407 6.605 -0.843 450 HD3 ARG 59 2HD ARG 59 10.725 5.645 0.440 451 HE ARG 59 HE ARG 59 11.401 7.865 1.731 452 HH11 ARG 59 1HH1 ARG 59 10.057 7.597 -1.493 453 HH12 ARG 59 2HH1 ARG 59 9.050 8.935 -1.474 454 HH21 ARG 59 1HH2 ARG 59 9.968 9.875 1.888 455 HH22 ARG 59 2HH2 ARG 59 9.021 10.253 0.517 456 H VAL 60 H VAL 60 12.519 2.514 -1.608 457 HA VAL 60 HA VAL 60 13.255 0.673 0.114 458 HB VAL 60 HB VAL 60 11.931 -0.732 -1.404 459 HG11 VAL 60 1HG1 VAL 60 10.855 0.378 0.101 460 HG12 VAL 60 2HG1 VAL 60 10.294 1.040 -1.618 461 HG13 VAL 60 3HG1 VAL 60 11.396 1.990 -0.554 462 HG21 VAL 60 1HG2 VAL 60 10.773 1.027 -2.990 463 HG22 VAL 60 2HG2 VAL 60 11.963 -0.241 -3.440 464 HG23 VAL 60 3HG2 VAL 60 12.493 1.395 -2.978 465 H ALA 61 H ALA 61 14.135 1.025 -3.093 466 HA ALA 61 HA ALA 61 13.868 -1.494 -3.711 467 HB1 ALA 61 1HB ALA 61 13.797 0.294 -5.068 468 HB2 ALA 61 2HB ALA 61 14.584 -1.143 -5.742 469 HB3 ALA 61 3HB ALA 61 15.567 0.296 -5.271 470 H GLY 62 H GLY 62 16.818 -0.515 -4.106 471 HA2 GLY 62 1HA GLY 62 17.400 -3.291 -3.681 472 HA3 GLY 62 2HA GLY 62 18.388 -2.426 -4.779 473 H GLU 63 H GLU 63 17.210 -1.842 -1.778 474 HA GLU 63 HA GLU 63 19.474 -1.367 -0.288 475 HB2 GLU 63 1HB GLU 63 16.762 -2.223 0.156 476 HB3 GLU 63 2HB GLU 63 17.772 -2.382 1.531 477 HG2 GLU 63 1HG GLU 63 18.202 0.218 0.603 478 HG3 GLU 63 2HG GLU 63 16.513 -0.170 0.173 479 H MET 64 H MET 64 17.247 -4.100 -0.457 480 HA MET 64 HA MET 64 19.341 -5.932 0.318 481 HB2 MET 64 1HB MET 64 16.594 -6.769 0.677 482 HB3 MET 64 2HB MET 64 18.030 -7.236 1.479 483 HG2 MET 64 1HG MET 64 16.645 -6.216 3.043 484 HG3 MET 64 2HG MET 64 18.013 -5.123 2.768 485 HE1 MET 64 1HE MET 64 15.114 -5.756 0.251 486 HE2 MET 64 2HE MET 64 13.986 -4.444 0.691 487 HE3 MET 64 3HE MET 64 14.109 -5.789 1.726 488 H ASN 65 H ASN 65 16.356 -6.117 -1.059 489 HA ASN 65 HA ASN 65 17.483 -7.847 -2.932 490 HB2 ASN 65 1HB ASN 65 14.938 -8.131 -1.583 491 HB3 ASN 65 2HB ASN 65 15.756 -9.357 -2.496 492 HD21 ASN 65 1HD2 ASN 65 17.598 -9.919 0.326 493 HD22 ASN 65 2HD2 ASN 65 17.797 -9.898 -1.347 494 H LEU 66 H LEU 66 16.544 -5.141 -3.787 495 HA LEU 66 HA LEU 66 14.230 -5.913 -5.588 496 HB2 LEU 66 1HB LEU 66 14.859 -4.126 -3.698 497 HB3 LEU 66 2HB LEU 66 13.987 -3.175 -4.778 498 HG LEU 66 HG LEU 66 13.609 -4.825 -2.466 499 HD11 LEU 66 1HD1 LEU 66 13.088 -2.635 -2.443 500 HD12 LEU 66 2HD1 LEU 66 11.497 -3.469 -2.398 501 HD13 LEU 66 3HD1 LEU 66 12.155 -2.745 -3.906 502 HD21 LEU 66 1HD2 LEU 66 11.505 -5.859 -3.017 503 HD22 LEU 66 2HD2 LEU 66 13.019 -6.250 -3.931 504 HD23 LEU 66 3HD2 LEU 66 11.757 -5.304 -4.742 505 H SER 67 H SER 67 14.256 -5.412 -7.309 506 HA SER 67 HA SER 67 16.213 -3.608 -8.528 507 HB2 SER 67 1HB SER 67 16.461 -5.977 -8.957 508 HB3 SER 67 2HB SER 67 14.763 -6.073 -9.396 509 HG SER 67 HG SER 67 16.436 -5.921 -11.175 510 H LYS 68 H LYS 68 13.792 -2.681 -7.325 511 HA LYS 68 HA LYS 68 11.759 -1.671 -7.460 512 HB2 LYS 68 1HB LYS 68 11.783 -1.022 -10.185 513 HB3 LYS 68 2HB LYS 68 11.549 0.067 -8.870 514 HG2 LYS 68 1HG LYS 68 14.140 -0.754 -10.155 515 HG3 LYS 68 2HG LYS 68 13.429 0.869 -10.077 516 HD2 LYS 68 1HD LYS 68 13.817 0.999 -7.734 517 HD3 LYS 68 2HD LYS 68 13.708 -0.717 -7.857 518 HE2 LYS 68 1HE LYS 68 16.112 0.206 -7.382 519 HE3 LYS 68 2HE LYS 68 15.966 -0.914 -8.733 520 HZ1 LYS 68 1HZ LYS 68 15.967 0.940 -10.263 521 HZ2 LYS 68 2HZ LYS 68 17.313 1.069 -9.234 522 HZ3 LYS 68 3HZ LYS 68 15.973 2.046 -8.981 523 H THR 69 H THR 69 12.038 -3.753 -10.383 524 HA THR 69 HA THR 69 9.296 -3.328 -10.721 525 HB THR 69 HB THR 69 9.486 -4.679 -12.349 526 HG1 THR 69 1HG THR 69 11.932 -5.527 -12.787 527 HG21 THR 69 1HG2 THR 69 11.824 -2.948 -12.092 528 HG22 THR 69 2HG2 THR 69 10.247 -2.487 -12.778 529 HG23 THR 69 3HG2 THR 69 11.372 -3.533 -13.700 530 H GLN 70 H GLN 70 11.296 -5.482 -9.247 531 HA GLN 70 HA GLN 70 9.337 -7.582 -8.901 532 HB2 GLN 70 1HB GLN 70 11.022 -8.517 -7.357 533 HB3 GLN 70 2HB GLN 70 11.772 -8.065 -8.865 534 HG2 GLN 70 1HG GLN 70 12.584 -6.087 -7.990 535 HG3 GLN 70 2HG GLN 70 11.566 -6.499 -6.586 536 HE21 GLN 70 1HE2 GLN 70 13.549 -8.494 -5.130 537 HE22 GLN 70 2HE2 GLN 70 11.942 -7.891 -5.299 538 H LEU 71 H LEU 71 9.982 -4.618 -7.553 539 HA LEU 71 HA LEU 71 8.539 -4.996 -5.026 540 HB2 LEU 71 1HB LEU 71 10.724 -3.669 -5.416 541 HB3 LEU 71 2HB LEU 71 9.905 -2.568 -6.313 542 HG LEU 71 HG LEU 71 10.366 -2.697 -3.629 543 HD11 LEU 71 1HD1 LEU 71 10.642 -0.811 -5.073 544 HD12 LEU 71 2HD1 LEU 71 9.871 -0.474 -3.577 545 HD13 LEU 71 3HD1 LEU 71 8.874 -0.645 -5.090 546 HD21 LEU 71 1HD2 LEU 71 7.574 -2.846 -4.340 547 HD22 LEU 71 2HD2 LEU 71 8.129 -1.864 -2.982 548 HD23 LEU 71 3HD2 LEU 71 8.468 -3.626 -3.024 549 H ARG 72 H ARG 72 8.268 -3.458 -8.196 550 HA ARG 72 HA ARG 72 5.952 -2.103 -7.474 551 HB2 ARG 72 1HB ARG 72 5.605 -1.698 -9.988 552 HB3 ARG 72 2HB ARG 72 7.295 -1.554 -9.473 553 HG2 ARG 72 1HG ARG 72 7.557 -2.692 -11.335 554 HG3 ARG 72 2HG ARG 72 7.505 -3.830 -9.920 555 HD2 ARG 72 1HD ARG 72 6.194 -4.923 -11.634 556 HD3 ARG 72 2HD ARG 72 5.168 -4.100 -10.419 557 HE ARG 72 HE ARG 72 5.343 -2.257 -12.338 558 HH11 ARG 72 1HH1 ARG 72 4.399 -5.685 -12.479 559 HH12 ARG 72 2HH1 ARG 72 3.411 -5.541 -13.846 560 HH21 ARG 72 1HH2 ARG 72 3.941 -2.031 -14.303 561 HH22 ARG 72 2HH2 ARG 72 3.148 -3.396 -14.903 562 H SER 73 H SER 73 6.643 -5.176 -8.301 563 HA SER 73 HA SER 73 4.203 -6.119 -9.181 564 HB2 SER 73 1HB SER 73 6.004 -6.776 -9.941 565 HB3 SER 73 2HB SER 73 6.841 -6.930 -8.498 566 HG SER 73 HG SER 73 6.290 -9.109 -8.718 567 H ALA 74 H ALA 74 5.763 -5.635 -6.414 568 HA ALA 74 HA ALA 74 4.133 -7.357 -4.612 569 HB1 ALA 74 1HB ALA 74 5.395 -6.118 -2.840 570 HB2 ALA 74 2HB ALA 74 6.182 -5.190 -4.127 571 HB3 ALA 74 3HB ALA 74 6.423 -6.915 -4.012 572 H LEU 75 H LEU 75 4.106 -4.555 -6.079 573 HA LEU 75 HA LEU 75 2.334 -3.281 -4.200 574 HB2 LEU 75 1HB LEU 75 4.431 -3.202 -5.119 575 HB3 LEU 75 2HB LEU 75 4.256 -2.154 -6.272 576 HG LEU 75 HG LEU 75 3.890 -2.045 -3.255 577 HD11 LEU 75 1HD1 LEU 75 5.431 -0.316 -4.901 578 HD12 LEU 75 2HD1 LEU 75 6.009 -1.994 -4.814 579 HD13 LEU 75 3HD1 LEU 75 5.823 -0.984 -3.332 580 HD21 LEU 75 1HD2 LEU 75 3.995 0.425 -4.767 581 HD22 LEU 75 2HD2 LEU 75 3.360 0.090 -3.145 582 HD23 LEU 75 3HD2 LEU 75 2.376 -0.321 -4.578 583 H ARG 76 H ARG 76 2.177 -5.034 -6.945 584 HA ARG 76 HA ARG 76 -0.447 -3.953 -7.502 585 HB2 ARG 76 1HB ARG 76 1.307 -5.758 -9.146 586 HB3 ARG 76 2HB ARG 76 -0.430 -5.857 -9.349 587 HG2 ARG 76 1HG ARG 76 0.480 -4.464 -11.069 588 HG3 ARG 76 2HG ARG 76 -0.424 -3.438 -9.953 589 HD2 ARG 76 1HD ARG 76 2.126 -3.935 -9.140 590 HD3 ARG 76 2HD ARG 76 2.255 -3.045 -10.726 591 HE ARG 76 HE ARG 76 0.886 -2.244 -8.213 592 HH11 ARG 76 1HH1 ARG 76 2.747 -1.137 -10.966 593 HH12 ARG 76 2HH1 ARG 76 3.367 0.265 -10.193 594 HH21 ARG 76 1HH2 ARG 76 1.768 -0.456 -7.111 595 HH22 ARG 76 2HH2 ARG 76 2.761 0.698 -7.867 596 H LEU 77 H LEU 77 1.442 -6.368 -6.106 597 HA LEU 77 HA LEU 77 -0.147 -8.684 -6.151 598 HB2 LEU 77 1HB LEU 77 2.437 -8.339 -5.444 599 HB3 LEU 77 2HB LEU 77 1.816 -7.824 -4.116 600 HG LEU 77 HG LEU 77 0.518 -10.197 -4.264 601 HD11 LEU 77 1HD1 LEU 77 2.650 -10.637 -5.730 602 HD12 LEU 77 2HD1 LEU 77 2.631 -11.525 -4.153 603 HD13 LEU 77 3HD1 LEU 77 3.432 -9.940 -4.291 604 HD21 LEU 77 1HD2 LEU 77 1.025 -8.840 -2.393 605 HD22 LEU 77 2HD2 LEU 77 2.692 -8.920 -2.994 606 HD23 LEU 77 3HD2 LEU 77 1.977 -10.380 -2.228 607 H TYR 78 H TYR 78 0.772 -6.625 -3.504 608 HA TYR 78 HA TYR 78 -1.240 -7.872 -2.039 609 HB2 TYR 78 2HB TYR 78 -0.287 -7.166 -0.070 610 HB3 TYR 78 1HB TYR 78 1.101 -7.036 -1.085 611 HD1 TYR 78 1HD TYR 78 0.861 -4.596 -2.412 612 HD2 TYR 78 2HD TYR 78 -0.236 -5.745 1.437 613 HE1 TYR 78 1HE TYR 78 1.001 -2.338 -1.782 614 HE2 TYR 78 2HE TYR 78 -0.074 -3.497 2.214 615 HH TYR 78 HH TYR 78 0.442 -1.478 1.721 616 H THR 79 H THR 79 -0.955 -5.354 -4.015 617 HA THR 79 HA THR 79 -3.026 -3.613 -2.858 618 HB THR 79 HB THR 79 -2.683 -2.122 -4.637 619 HG1 THR 79 1HG THR 79 -2.621 -3.572 -6.392 620 HG21 THR 79 1HG2 THR 79 -0.268 -1.857 -4.542 621 HG22 THR 79 2HG2 THR 79 -0.181 -3.513 -3.905 622 HG23 THR 79 3HG2 THR 79 -1.032 -2.268 -2.992 623 H SER 80 H SER 80 -2.958 -6.386 -4.732 624 HA SER 80 HA SER 80 -5.660 -5.989 -5.681 625 HB2 SER 80 1HB SER 80 -3.800 -8.389 -5.885 626 HB3 SER 80 2HB SER 80 -5.409 -8.297 -6.604 627 HG SER 80 HG SER 80 -3.093 -6.811 -7.238 628 H SER 81 H SER 81 -4.251 -6.448 -2.822 629 HA SER 81 HA SER 81 -5.999 -8.468 -1.807 630 HB2 SER 81 1HB SER 81 -4.147 -8.442 -0.540 631 HB3 SER 81 2HB SER 81 -3.935 -6.649 -0.667 632 HG SER 81 HG SER 81 -5.405 -8.234 1.171 633 H TRP 82 H TRP 82 -7.395 -7.960 -0.356 634 HA TRP 82 HA TRP 82 -9.190 -5.678 -1.078 635 HB2 TRP 82 2HB TRP 82 -9.851 -8.236 -0.280 636 HB3 TRP 82 1HB TRP 82 -9.808 -7.358 1.225 637 HD1 TRP 82 1HD TRP 82 -10.853 -5.754 -1.895 638 HE1 TRP 82 1HE TRP 82 -13.318 -5.390 -1.809 639 HE3 TRP 82 3HE TRP 82 -11.743 -8.284 2.267 640 HZ2 TRP 82 2HZ TRP 82 -15.380 -6.012 -0.113 641 HZ3 TRP 82 3HZ TRP 82 -13.974 -8.334 3.081 642 HH2 TRP 82 2HH TRP 82 -15.820 -7.223 1.817 643 H ARG 83 H ARG 83 -7.500 -6.820 1.422 644 HA ARG 83 HA ARG 83 -8.172 -5.002 3.459 645 HB2 ARG 83 1HB ARG 83 -7.270 -6.818 3.676 646 HB3 ARG 83 2HB ARG 83 -5.679 -6.575 2.904 647 HG2 ARG 83 1HG ARG 83 -5.017 -6.229 5.121 648 HG3 ARG 83 2HG ARG 83 -5.831 -4.669 4.933 649 HD2 ARG 83 1HD ARG 83 -6.720 -5.802 6.879 650 HD3 ARG 83 2HD ARG 83 -7.844 -5.649 5.489 651 HE ARG 83 HE ARG 83 -6.620 -8.103 5.181 652 HH11 ARG 83 1HH1 ARG 83 -8.789 -6.781 7.622 653 HH12 ARG 83 2HH1 ARG 83 -9.507 -8.294 7.973 654 HH21 ARG 83 1HH2 ARG 83 -7.476 -9.990 5.573 655 HH22 ARG 83 2HH2 ARG 83 -8.711 -10.298 6.729 656 H TYR 84 H TYR 84 -6.130 -4.825 0.833 657 HA TYR 84 HA TYR 84 -4.738 -2.460 1.336 658 HB2 TYR 84 2HB TYR 84 -4.206 -4.047 -0.471 659 HB3 TYR 84 1HB TYR 84 -5.793 -3.841 -1.060 660 HD1 TYR 84 1HD TYR 84 -6.409 -2.442 -2.519 661 HD2 TYR 84 2HD TYR 84 -2.580 -1.735 -0.742 662 HE1 TYR 84 1HE TYR 84 -5.946 -0.712 -4.171 663 HE2 TYR 84 2HE TYR 84 -2.165 -0.069 -2.314 664 HH TYR 84 HH TYR 84 -2.802 0.602 -4.532 665 H LEU 85 H LEU 85 -7.596 -3.050 -0.613 666 HA LEU 85 HA LEU 85 -8.062 -0.314 -0.668 667 HB2 LEU 85 1HB LEU 85 -10.117 -0.814 -1.670 668 HB3 LEU 85 2HB LEU 85 -8.509 -0.881 -2.564 669 HG LEU 85 HG LEU 85 -10.361 -2.451 -3.408 670 HD11 LEU 85 1HD1 LEU 85 -8.503 -3.865 -1.687 671 HD12 LEU 85 2HD1 LEU 85 -8.058 -3.244 -3.296 672 HD13 LEU 85 3HD1 LEU 85 -9.305 -4.533 -3.111 673 HD21 LEU 85 1HD2 LEU 85 -11.484 -2.332 -1.206 674 HD22 LEU 85 2HD2 LEU 85 -10.373 -3.556 -0.643 675 HD23 LEU 85 3HD2 LEU 85 -11.480 -3.883 -1.978 676 H TYR 86 H TYR 86 -8.826 -1.933 1.686 677 HA TYR 86 HA TYR 86 -11.369 -1.569 2.361 678 HB2 TYR 86 2HB TYR 86 -8.947 -1.842 3.351 679 HB3 TYR 86 1HB TYR 86 -9.822 -1.043 4.615 680 HD1 TYR 86 1HD TYR 86 -9.765 -3.770 2.113 681 HD2 TYR 86 2HD TYR 86 -11.091 -2.622 5.992 682 HE1 TYR 86 1HE TYR 86 -10.506 -5.730 2.314 683 HE2 TYR 86 2HE TYR 86 -11.912 -4.893 6.352 684 HH TYR 86 HH TYR 86 -11.105 -7.453 4.210 685 H GLY 87 H GLY 87 -9.027 0.636 1.644 686 HA2 GLY 87 1HA GLY 87 -10.473 2.899 1.491 687 HA3 GLY 87 2HA GLY 87 -9.519 3.135 2.962 688 H VAL 88 H VAL 88 -9.619 2.169 -0.394 689 HA VAL 88 HA VAL 88 -7.341 3.861 -0.780 690 HB VAL 88 HB VAL 88 -7.675 1.223 -2.153 691 HG11 VAL 88 1HG1 VAL 88 -6.614 2.973 -3.546 692 HG12 VAL 88 2HG1 VAL 88 -5.437 1.735 -3.113 693 HG13 VAL 88 3HG1 VAL 88 -5.420 3.284 -2.279 694 HG21 VAL 88 1HG2 VAL 88 -5.570 2.074 -0.263 695 HG22 VAL 88 2HG2 VAL 88 -5.932 0.397 -0.880 696 HG23 VAL 88 3HG2 VAL 88 -7.070 1.283 0.159 697 H LYS 89 H LYS 89 -8.177 5.148 -2.463 698 HA LYS 89 HA LYS 89 -8.511 4.259 -4.966 699 HB2 LYS 89 1HB LYS 89 -10.805 3.460 -4.343 700 HB3 LYS 89 2HB LYS 89 -11.303 5.065 -3.923 701 HG2 LYS 89 1HG LYS 89 -11.251 5.796 -6.146 702 HG3 LYS 89 2HG LYS 89 -10.300 4.403 -6.663 703 HD2 LYS 89 1HD LYS 89 -13.050 4.072 -5.492 704 HD3 LYS 89 2HD LYS 89 -12.825 4.428 -7.201 705 HE2 LYS 89 1HE LYS 89 -13.084 2.009 -6.830 706 HE3 LYS 89 2HE LYS 89 -11.494 2.387 -7.471 707 HZ1 LYS 89 1HZ LYS 89 -12.078 1.839 -4.595 708 HZ2 LYS 89 2HZ LYS 89 -10.548 2.045 -5.252 709 HZ3 LYS 89 3HZ LYS 89 -11.476 0.705 -5.675 710 HA PRO 90 HA PRO 90 -8.007 8.816 -4.392 711 HB2 PRO 90 2HB PRO 90 -9.056 9.531 -1.895 712 HB3 PRO 90 1HB PRO 90 -9.681 10.169 -3.462 713 HG2 PRO 90 2HG PRO 90 -11.209 8.724 -1.808 714 HG3 PRO 90 1HG PRO 90 -11.283 8.459 -3.568 715 HD2 PRO 90 2HD PRO 90 -9.686 6.967 -1.543 716 HD3 PRO 90 1HD PRO 90 -10.817 6.321 -2.747 717 H GLY 91 H GLY 91 -7.515 10.169 -1.849 718 HA2 GLY 91 1HA GLY 91 -5.330 9.011 -1.392 719 HA3 GLY 91 2HA GLY 91 -5.559 10.534 -0.570 720 H ALA 92 H ALA 92 -7.147 8.016 -0.627 721 HA ALA 92 HA ALA 92 -7.586 7.023 2.006 722 HB1 ALA 92 1HB ALA 92 -8.314 4.940 0.627 723 HB2 ALA 92 2HB ALA 92 -7.892 6.059 -0.715 724 HB3 ALA 92 3HB ALA 92 -9.083 6.539 0.489 725 H THR 93 H THR 93 -5.369 6.296 -0.325 726 HA THR 93 HA THR 93 -3.732 4.291 0.423 727 HB THR 93 HB THR 93 -2.927 5.527 -1.293 728 HG1 THR 93 1HG THR 93 -1.385 5.165 0.546 729 HG21 THR 93 1HG2 THR 93 -2.552 7.998 -1.149 730 HG22 THR 93 2HG2 THR 93 -3.496 7.972 0.322 731 HG23 THR 93 3HG2 THR 93 -4.199 7.371 -1.168 732 H ARG 94 H ARG 94 -4.069 7.412 1.812 733 HA ARG 94 HA ARG 94 -3.375 8.508 3.520 734 HB2 ARG 94 1HB ARG 94 -2.738 5.858 4.639 735 HB3 ARG 94 2HB ARG 94 -2.706 7.475 5.399 736 HG2 ARG 94 1HG ARG 94 -5.066 5.749 4.476 737 HG3 ARG 94 2HG ARG 94 -4.781 6.327 6.109 738 HD2 ARG 94 1HD ARG 94 -5.901 7.809 3.724 739 HD3 ARG 94 2HD ARG 94 -6.555 7.557 5.301 740 HE ARG 94 HE ARG 94 -4.358 9.455 4.828 741 HH11 ARG 94 1HH1 ARG 94 -6.871 8.219 7.047 742 HH12 ARG 94 2HH1 ARG 94 -6.852 9.622 8.026 743 HH21 ARG 94 1HH2 ARG 94 -4.346 11.376 6.315 744 HH22 ARG 94 2HH2 ARG 94 -5.454 11.390 7.599 745 H VAL 95 H VAL 95 -1.186 6.948 1.617 746 HA VAL 95 HA VAL 95 0.976 8.218 2.955 747 HB VAL 95 HB VAL 95 2.261 6.454 3.475 748 HG11 VAL 95 1HG1 VAL 95 -0.300 5.075 3.137 749 HG12 VAL 95 2HG1 VAL 95 0.075 6.274 4.385 750 HG13 VAL 95 3HG1 VAL 95 0.953 4.713 4.440 751 HG21 VAL 95 1HG2 VAL 95 2.431 4.456 2.286 752 HG22 VAL 95 2HG2 VAL 95 2.455 5.924 1.252 753 HG23 VAL 95 3HG2 VAL 95 1.012 4.887 1.250 754 H ASP 96 H ASP 96 2.498 8.522 1.969 755 HA ASP 96 HA ASP 96 3.474 7.732 -0.827 756 HB2 ASP 96 1HB ASP 96 4.114 10.421 0.488 757 HB3 ASP 96 2HB ASP 96 4.594 9.912 -1.118 758 H LEU 97 H LEU 97 4.038 6.233 1.264 759 HA LEU 97 HA LEU 97 5.084 5.626 2.802 760 HB2 LEU 97 1HB LEU 97 7.656 5.802 1.386 761 HB3 LEU 97 2HB LEU 97 6.828 4.777 2.379 762 HG LEU 97 HG LEU 97 5.155 5.134 0.324 763 HD11 LEU 97 1HD1 LEU 97 7.452 5.817 -0.712 764 HD12 LEU 97 2HD1 LEU 97 6.741 4.354 -1.459 765 HD13 LEU 97 3HD1 LEU 97 7.979 4.208 -0.220 766 HD21 LEU 97 1HD2 LEU 97 5.409 3.356 1.837 767 HD22 LEU 97 2HD2 LEU 97 7.131 3.457 1.189 768 HD23 LEU 97 3HD2 LEU 97 5.776 2.882 0.098 769 H ASP 98 H ASP 98 5.045 8.659 2.650 770 HA ASP 98 HA ASP 98 6.684 9.300 4.892 771 HB2 ASP 98 1HB ASP 98 5.959 10.909 2.815 772 HB3 ASP 98 2HB ASP 98 4.452 10.862 3.704 773 H GLY 99 H GLY 99 3.451 9.302 3.641 774 HA2 GLY 99 1HA GLY 99 1.781 8.010 4.737 775 HA3 GLY 99 2HA GLY 99 2.226 8.592 6.224 776 H ASN 100 H ASN 100 1.867 10.329 3.076 777 HA ASN 100 HA ASN 100 -0.183 12.283 3.793 778 HB2 ASN 100 1HB ASN 100 2.010 11.663 1.920 779 HB3 ASN 100 2HB ASN 100 0.957 12.836 1.368 780 HD21 ASN 100 1HD2 ASN 100 3.870 14.116 2.652 781 HD22 ASN 100 2HD2 ASN 100 3.420 12.980 1.431 782 HA PRO 101 HA PRO 101 -2.730 9.354 1.733 783 HB2 PRO 101 2HB PRO 101 -4.329 11.642 0.779 784 HB3 PRO 101 1HB PRO 101 -4.609 10.342 1.903 785 HG2 PRO 101 2HG PRO 101 -4.197 12.851 2.862 786 HG3 PRO 101 1HG PRO 101 -3.358 11.479 3.677 787 HD2 PRO 101 2HD PRO 101 -2.573 12.844 1.320 788 HD3 PRO 101 1HD PRO 101 -1.605 13.229 2.622 789 H CYS 102 H CYS 102 -0.783 9.299 0.172 790 HA CYS 102 HA CYS 102 0.391 9.863 -1.670 791 HB2 CYS 102 2HB CYS 102 -0.664 8.338 -2.791 792 HB3 CYS 102 1HB CYS 102 -2.247 8.747 -2.792 793 HG CYS 102 HG CYS 102 -2.299 9.966 -5.035 794 H GLY 103 H GLY 103 -1.179 11.719 -0.237 795 HA2 GLY 103 1HA GLY 103 -1.143 14.048 0.264 796 HA3 GLY 103 2HA GLY 103 -0.127 14.209 -1.147 797 H GLU 104 H GLU 104 -2.611 12.555 -1.666 798 HA GLU 104 HA GLU 104 -3.830 14.280 -3.548 799 HB2 GLU 104 1HB GLU 104 -3.863 12.196 -4.514 800 HB3 GLU 104 2HB GLU 104 -3.449 11.571 -2.913 801 HG2 GLU 104 1HG GLU 104 -5.386 11.103 -2.278 802 HG3 GLU 104 2HG GLU 104 -6.252 12.094 -3.506 803 H LEU 105 H LEU 105 -4.836 12.722 -0.419 804 HA LEU 105 HA LEU 105 -7.154 14.513 -0.533 805 HB2 LEU 105 1HB LEU 105 -7.530 11.955 -1.300 806 HB3 LEU 105 2HB LEU 105 -7.351 11.735 0.321 807 HG LEU 105 HG LEU 105 -9.322 13.849 -0.333 808 HD11 LEU 105 1HD1 LEU 105 -10.348 12.404 -1.771 809 HD12 LEU 105 2HD1 LEU 105 -10.816 11.583 -0.174 810 HD13 LEU 105 3HD1 LEU 105 -9.360 11.121 -1.077 811 HD21 LEU 105 1HD2 LEU 105 -8.326 12.483 1.645 812 HD22 LEU 105 2HD2 LEU 105 -10.029 11.830 1.504 813 HD23 LEU 105 3HD2 LEU 105 -9.648 13.566 1.646 814 H ASP 106 H ASP 106 -8.169 14.809 1.280 815 HA ASP 106 HA ASP 106 -6.964 15.357 3.826 816 HB2 ASP 106 1HB ASP 106 -8.831 16.729 2.954 817 HB3 ASP 106 2HB ASP 106 -9.578 15.346 2.285 818 H GLU 107 H GLU 107 -9.103 14.135 5.162 819 HA GLU 107 HA GLU 107 -9.149 11.300 4.418 820 HB2 GLU 107 1HB GLU 107 -8.194 10.526 6.372 821 HB3 GLU 107 2HB GLU 107 -7.541 12.129 5.922 822 HG2 GLU 107 1HG GLU 107 -8.742 13.260 7.484 823 HG3 GLU 107 2HG GLU 107 -9.582 11.810 8.011 824 H GLN 108 H GLN 108 -11.044 13.752 4.921 825 HA GLN 108 HA GLN 108 -13.328 12.069 5.686 826 HB2 GLN 108 1HB GLN 108 -12.771 14.426 6.848 827 HB3 GLN 108 2HB GLN 108 -13.281 14.935 5.223 828 HG2 GLN 108 1HG GLN 108 -15.391 14.859 6.303 829 HG3 GLN 108 2HG GLN 108 -15.047 13.268 5.549 830 HE21 GLN 108 1HE2 GLN 108 -16.142 11.847 8.482 831 HE22 GLN 108 2HE2 GLN 108 -16.549 12.259 6.853 832 H HIS 109 H HIS 109 -11.356 12.586 3.302 833 HA HIS 109 HA HIS 109 -13.768 12.017 1.877 834 HB2 HIS 109 1HB HIS 109 -11.298 13.038 1.029 835 HB3 HIS 109 2HB HIS 109 -12.643 12.943 -0.163 836 HD1 HIS 109 HD1 HIS 109 -14.559 14.423 2.243 837 HD2 HIS 109 HD2 HIS 109 -11.096 15.925 0.500 838 HE1 HIS 109 HE1 HIS 109 -14.644 16.893 2.605 839 HE2 HIS 109 HE2 HIS 109 -12.323 17.592 2.027 840 H VAL 110 H VAL 110 -10.876 11.030 2.733 841 HA VAL 110 HA VAL 110 -11.316 9.013 0.967 842 HB VAL 110 HB VAL 110 -9.223 7.846 1.990 843 HG11 VAL 110 1HG1 VAL 110 -8.067 9.411 0.318 844 HG12 VAL 110 2HG1 VAL 110 -9.462 10.455 0.692 845 HG13 VAL 110 3HG1 VAL 110 -9.736 8.890 -0.089 846 HG21 VAL 110 1HG2 VAL 110 -9.149 9.373 3.914 847 HG22 VAL 110 2HG2 VAL 110 -9.047 10.686 2.692 848 HG23 VAL 110 3HG2 VAL 110 -7.706 9.542 2.860 849 H GLU 111 H GLU 111 -12.313 9.899 3.261 850 HA GLU 111 HA GLU 111 -13.023 8.036 5.264 851 HB2 GLU 111 1HB GLU 111 -13.138 10.398 5.320 852 HB3 GLU 111 2HB GLU 111 -14.225 10.689 4.292 853 HG2 GLU 111 1HG GLU 111 -15.003 8.590 6.005 854 HG3 GLU 111 2HG GLU 111 -14.994 10.193 6.824 855 H HIS 112 H HIS 112 -14.211 8.950 2.168 856 HA HIS 112 HA HIS 112 -16.290 6.997 2.291 857 HB2 HIS 112 1HB HIS 112 -15.161 8.685 0.308 858 HB3 HIS 112 2HB HIS 112 -16.716 7.864 -0.049 859 HD1 HIS 112 HD1 HIS 112 -18.874 8.867 1.324 860 HD2 HIS 112 HD2 HIS 112 -15.347 10.938 1.923 861 HE1 HIS 112 HE1 HIS 112 -19.527 10.919 2.589 862 HE2 HIS 112 HE2 HIS 112 -17.296 11.555 3.454 863 H ALA 113 H ALA 113 -13.144 7.075 1.499 864 HA ALA 113 HA ALA 113 -13.296 4.944 -0.209 865 HB1 ALA 113 1HB ALA 113 -11.037 5.611 1.317 866 HB2 ALA 113 2HB ALA 113 -11.799 6.905 0.322 867 HB3 ALA 113 3HB ALA 113 -11.126 5.398 -0.480 868 H ARG 114 H ARG 114 -12.724 5.785 2.974 869 HA ARG 114 HA ARG 114 -11.815 3.568 4.069 870 HB2 ARG 114 1HB ARG 114 -12.049 5.874 5.136 871 HB3 ARG 114 2HB ARG 114 -13.732 5.564 5.226 872 HG2 ARG 114 1HG ARG 114 -12.973 5.237 7.409 873 HG3 ARG 114 2HG ARG 114 -13.312 3.637 6.761 874 HD2 ARG 114 1HD ARG 114 -10.578 4.900 6.915 875 HD3 ARG 114 2HD ARG 114 -11.225 3.766 8.093 876 HE ARG 114 HE ARG 114 -11.439 2.469 5.730 877 HH11 ARG 114 1HH1 ARG 114 -8.758 4.003 7.443 878 HH12 ARG 114 2HH1 ARG 114 -7.553 2.957 6.840 879 HH21 ARG 114 1HH2 ARG 114 -9.859 1.055 4.919 880 HH22 ARG 114 2HH2 ARG 114 -8.205 1.178 5.326 881 H LYS 115 H LYS 115 -15.001 4.363 2.628 882 HA LYS 115 HA LYS 115 -16.397 2.442 4.181 883 HB2 LYS 115 1HB LYS 115 -18.055 4.155 4.404 884 HB3 LYS 115 2HB LYS 115 -16.576 5.103 4.132 885 HG2 LYS 115 1HG LYS 115 -17.953 6.129 2.778 886 HG3 LYS 115 2HG LYS 115 -17.046 5.013 1.742 887 HD2 LYS 115 1HD LYS 115 -19.034 3.444 2.068 888 HD3 LYS 115 2HD LYS 115 -19.900 4.888 2.623 889 HE2 LYS 115 1HE LYS 115 -19.267 6.038 0.611 890 HE3 LYS 115 2HE LYS 115 -18.370 4.565 0.156 891 HZ1 LYS 115 1HZ LYS 115 -21.398 4.839 0.390 892 HZ2 LYS 115 2HZ LYS 115 -20.579 3.409 0.319 893 HZ3 LYS 115 3HZ LYS 115 -20.543 4.332 -0.999 894 H GLN 116 H GLN 116 -15.081 3.462 1.060 895 HA GLN 116 HA GLN 116 -16.978 2.200 -0.127 896 HB2 GLN 116 1HB GLN 116 -15.555 2.081 -2.265 897 HB3 GLN 116 2HB GLN 116 -15.808 3.656 -1.523 898 HG2 GLN 116 1HG GLN 116 -13.639 3.804 -1.816 899 HG3 GLN 116 2HG GLN 116 -13.678 2.968 -0.241 900 HE21 GLN 116 1HE2 GLN 116 -12.308 -0.038 -1.624 901 HE22 GLN 116 2HE2 GLN 116 -13.341 0.548 -0.402 902 H LEU 117 H LEU 117 -14.528 0.691 1.560 903 HA LEU 117 HA LEU 117 -15.060 -1.889 0.584 904 HB2 LEU 117 1HB LEU 117 -13.114 -0.422 1.343 905 HB3 LEU 117 2HB LEU 117 -13.136 -1.422 2.694 906 HG LEU 117 HG LEU 117 -12.049 -1.894 0.658 907 HD11 LEU 117 1HD1 LEU 117 -12.383 -3.571 2.355 908 HD12 LEU 117 2HD1 LEU 117 -12.516 -4.488 0.867 909 HD13 LEU 117 3HD1 LEU 117 -14.002 -3.890 1.716 910 HD21 LEU 117 1HD2 LEU 117 -13.072 -3.115 -1.237 911 HD22 LEU 117 2HD2 LEU 117 -13.744 -1.513 -1.098 912 HD23 LEU 117 3HD2 LEU 117 -14.645 -2.936 -0.635 913 H GLU 118 H GLU 118 -16.736 0.220 2.577 914 HA GLU 118 HA GLU 118 -17.747 -2.048 3.750 915 HB2 GLU 118 1HB GLU 118 -18.207 0.880 4.218 916 HB3 GLU 118 2HB GLU 118 -19.522 -0.203 4.623 917 HG2 GLU 118 1HG GLU 118 -16.738 -0.346 5.767 918 HG3 GLU 118 2HG GLU 118 -18.125 0.403 6.554 919 H GLU 119 H GLU 119 -17.697 -0.874 0.982 920 HA GLU 119 HA GLU 119 -20.439 -0.945 0.325 921 HB2 GLU 119 1HB GLU 119 -18.000 -0.771 -1.355 922 HB3 GLU 119 2HB GLU 119 -19.641 -0.618 -2.051 923 HG2 GLU 119 1HG GLU 119 -18.471 0.877 0.085 924 HG3 GLU 119 2HG GLU 119 -18.273 1.473 -1.592 925 H ALA 120 H ALA 120 -17.269 -2.456 -0.166 926 HA ALA 120 HA ALA 120 -18.267 -4.636 -1.532 927 HB1 ALA 120 1HB ALA 120 -15.732 -4.242 -0.208 928 HB2 ALA 120 2HB ALA 120 -16.208 -3.437 -1.691 929 HB3 ALA 120 3HB ALA 120 -16.029 -5.207 -1.703 930 H LYS 121 H LYS 121 -17.125 -4.254 1.598 931 HA LYS 121 HA LYS 121 -17.409 -6.782 2.640 932 HB2 LYS 121 1HB LYS 121 -17.163 -4.082 3.401 933 HB3 LYS 121 2HB LYS 121 -17.867 -5.143 4.695 934 HG2 LYS 121 1HG LYS 121 -16.098 -6.424 4.330 935 HG3 LYS 121 2HG LYS 121 -15.556 -5.478 2.989 936 HD2 LYS 121 1HD LYS 121 -14.295 -4.926 5.261 937 HD3 LYS 121 2HD LYS 121 -14.919 -3.850 3.972 938 HE2 LYS 121 1HE LYS 121 -15.420 -2.826 6.125 939 HE3 LYS 121 2HE LYS 121 -16.784 -3.342 5.118 940 HZ1 LYS 121 1HZ LYS 121 -17.274 -5.117 6.588 941 HZ2 LYS 121 2HZ LYS 121 -17.172 -3.634 7.352 942 HZ3 LYS 121 3HZ LYS 121 -15.917 -4.743 7.594 943 H ALA 122 H ALA 122 -19.480 -4.347 2.975 944 HA ALA 122 HA ALA 122 -21.476 -5.653 4.047 945 HB1 ALA 122 1HB ALA 122 -21.006 -3.425 3.909 946 HB2 ALA 122 2HB ALA 122 -22.750 -3.811 3.575 947 HB3 ALA 122 3HB ALA 122 -21.582 -3.435 2.235 948 H ARG 123 H ARG 123 -20.387 -5.885 0.747 949 HA ARG 123 HA ARG 123 -22.910 -6.450 -0.224 950 HB2 ARG 123 1HB ARG 123 -22.022 -5.832 -2.266 951 HB3 ARG 123 2HB ARG 123 -20.613 -5.458 -1.229 952 HG2 ARG 123 1HG ARG 123 -19.827 -7.730 -1.560 953 HG3 ARG 123 2HG ARG 123 -21.023 -7.970 -2.850 954 HD2 ARG 123 1HD ARG 123 -20.003 -5.962 -3.997 955 HD3 ARG 123 2HD ARG 123 -18.898 -5.985 -2.596 956 HE ARG 123 HE ARG 123 -18.852 -8.456 -4.004 957 HH11 ARG 123 1HH1 ARG 123 -17.506 -5.183 -4.138 958 HH12 ARG 123 2HH1 ARG 123 -16.050 -5.684 -4.893 959 HH21 ARG 123 1HH2 ARG 123 -16.916 -9.099 -5.015 960 HH22 ARG 123 2HH2 ARG 123 -15.683 -8.056 -5.391 961 H VAL 124 H VAL 124 -20.259 -7.627 0.987 962 HA VAL 124 HA VAL 124 -20.120 -10.125 -0.376 963 HB VAL 124 HB VAL 124 -18.540 -8.997 1.817 964 HG11 VAL 124 1HG1 VAL 124 -18.526 -11.304 2.036 965 HG12 VAL 124 2HG1 VAL 124 -16.930 -10.834 1.339 966 HG13 VAL 124 3HG1 VAL 124 -18.248 -11.515 0.301 967 HG21 VAL 124 1HG2 VAL 124 -16.754 -8.873 0.157 968 HG22 VAL 124 2HG2 VAL 124 -18.226 -7.918 -0.089 969 HG23 VAL 124 3HG2 VAL 124 -17.960 -9.381 -1.071 970 H GLN 125 H GLN 125 -20.157 -8.906 2.520 971 HA GLN 125 HA GLN 125 -20.611 -9.315 4.603 972 HB2 GLN 125 1HB GLN 125 -21.689 -8.574 2.905 973 HB3 GLN 125 2HB GLN 125 -22.020 -7.883 3.974 974 HG2 GLN 125 1HG GLN 125 -23.976 -8.354 2.475 975 HG3 GLN 125 2HG GLN 125 -23.055 -9.837 2.100 976 HE21 GLN 125 1HE2 GLN 125 -25.418 -10.474 5.321 977 HE22 GLN 125 2HE2 GLN 125 -24.161 -9.281 5.338 978 H ALA 126 H ALA 126 -22.043 -11.888 2.753 979 HA ALA 126 HA ALA 126 -22.906 -13.170 4.968 980 HB1 ALA 126 1HB ALA 126 -23.892 -12.579 2.744 981 HB2 ALA 126 2HB ALA 126 -24.387 -13.982 3.731 982 HB3 ALA 126 3HB ALA 126 -23.345 -14.227 2.281 983 H GLN 127 H GLN 127 -21.544 -14.632 1.808 984 HA GLN 127 HA GLN 127 -19.545 -15.935 3.128 985 HB2 GLN 127 1HB GLN 127 -21.671 -16.219 1.293 986 HB3 GLN 127 2HB GLN 127 -20.157 -16.640 0.584 987 HG2 GLN 127 1HG GLN 127 -21.488 -17.543 3.059 988 HG3 GLN 127 2HG GLN 127 -21.340 -18.588 1.628 989 HE21 GLN 127 1HE2 GLN 127 -18.771 -19.458 4.272 990 HE22 GLN 127 2HE2 GLN 127 -20.486 -19.235 4.317 991 H ARG 128 H ARG 128 -17.576 -15.378 2.364 992 HA ARG 128 HA ARG 128 -17.015 -13.335 0.941 993 HB2 ARG 128 1HB ARG 128 -15.488 -15.828 1.356 994 HB3 ARG 128 2HB ARG 128 -15.106 -14.678 0.047 995 HG2 ARG 128 1HG ARG 128 -15.539 -13.612 2.692 996 HG3 ARG 128 2HG ARG 128 -13.914 -14.309 2.335 997 HD2 ARG 128 1HD ARG 128 -15.502 -12.158 1.068 998 HD3 ARG 128 2HD ARG 128 -13.934 -11.938 1.848 999 HE ARG 128 HE ARG 128 -12.984 -13.281 -0.043 1000 HH11 ARG 128 1HH1 ARG 128 -16.109 -11.582 -0.699 1001 HH12 ARG 128 2HH1 ARG 128 -15.808 -11.567 -2.380 1002 HH21 ARG 128 1HH2 ARG 128 -12.717 -13.108 -2.400 1003 HH22 ARG 128 2HH2 ARG 128 -13.989 -12.339 -3.278 1004 H ALA 129 H ALA 129 -16.672 -16.530 -0.526 1005 HA ALA 129 HA ALA 129 -16.409 -17.135 -2.639 1006 HB1 ALA 129 1HB ALA 129 -18.365 -17.624 -3.449 1007 HB2 ALA 129 2HB ALA 129 -19.154 -16.100 -2.891 1008 HB3 ALA 129 3HB ALA 129 -18.629 -17.348 -1.712 1009 H GLU 130 H GLU 130 -17.271 -16.569 -5.001 1010 HA GLU 130 HA GLU 130 -17.504 -15.318 -6.820 1011 HB2 GLU 130 1HB GLU 130 -18.026 -12.810 -6.711 1012 HB3 GLU 130 2HB GLU 130 -19.158 -13.900 -5.944 1013 HG2 GLU 130 1HG GLU 130 -19.014 -12.382 -4.204 1014 HG3 GLU 130 2HG GLU 130 -17.564 -13.390 -3.957 1015 H GLN 131 H GLN 131 -15.364 -13.374 -4.890 1016 HA GLN 131 HA GLN 131 -13.519 -13.756 -7.142 1017 HB2 GLN 131 1HB GLN 131 -13.258 -11.897 -4.781 1018 HB3 GLN 131 2HB GLN 131 -11.798 -12.448 -5.587 1019 HG2 GLN 131 1HG GLN 131 -12.241 -10.430 -6.631 1020 HG3 GLN 131 2HG GLN 131 -12.925 -11.603 -7.744 1021 HE21 GLN 131 1HE2 GLN 131 -16.222 -10.519 -7.248 1022 HE22 GLN 131 2HE2 GLN 131 -15.207 -11.777 -7.864 1023 H GLN 132 H GLN 132 -14.569 -15.555 -5.002 1024 HA GLN 132 HA GLN 132 -12.125 -16.775 -4.179 1025 HB2 GLN 132 1HB GLN 132 -14.952 -17.511 -3.708 1026 HB3 GLN 132 2HB GLN 132 -13.591 -18.491 -3.090 1027 HG2 GLN 132 1HG GLN 132 -14.256 -15.720 -2.643 1028 HG3 GLN 132 2HG GLN 132 -14.505 -16.948 -1.387 1029 HE21 GLN 132 1HE2 GLN 132 -10.623 -17.017 -1.476 1030 HE22 GLN 132 2HE2 GLN 132 -11.768 -18.070 -2.220 1031 H ALA 133 H ALA 133 -15.148 -17.542 -5.647 1032 HA ALA 133 HA ALA 133 -14.525 -18.816 -7.941 1033 HB1 ALA 133 1HB ALA 133 -15.424 -21.051 -7.240 1034 HB2 ALA 133 2HB ALA 133 -15.251 -20.557 -5.549 1035 HB3 ALA 133 3HB ALA 133 -13.824 -20.715 -6.584 Start of MODEL 16 1 H1 MET 1 1H MET 1 26.093 12.954 3.725 2 H2 MET 1 2H MET 1 26.663 11.488 4.429 3 H3 MET 1 3H MET 1 25.762 12.602 5.329 4 HA MET 1 HA MET 1 24.621 11.261 3.003 5 HB2 MET 1 1HB MET 1 24.353 10.619 5.967 6 HB3 MET 1 2HB MET 1 23.345 9.933 4.708 7 HG2 MET 1 1HG MET 1 25.030 8.339 5.421 8 HG3 MET 1 2HG MET 1 25.315 8.817 3.750 9 HE1 MET 1 1HE MET 1 27.463 7.309 5.634 10 HE2 MET 1 2HE MET 1 28.935 8.181 5.208 11 HE3 MET 1 3HE MET 1 27.782 7.731 3.950 12 H GLY 2 H GLY 2 22.446 11.889 2.705 13 HA2 GLY 2 1HA GLY 2 21.887 14.491 3.838 14 HA3 GLY 2 2HA GLY 2 20.999 13.688 2.551 15 H SER 3 H SER 3 19.369 12.198 3.086 16 HA SER 3 HA SER 3 18.299 12.663 5.734 17 HB2 SER 3 1HB SER 3 16.860 13.086 3.718 18 HB3 SER 3 2HB SER 3 16.967 11.371 3.329 19 HG SER 3 HG SER 3 15.096 12.273 4.659 20 H SER 4 H SER 4 16.952 10.643 6.410 21 HA SER 4 HA SER 4 17.210 8.889 7.769 22 HB2 SER 4 1HB SER 4 17.472 6.702 6.596 23 HB3 SER 4 2HB SER 4 16.321 7.774 5.813 24 HG SER 4 HG SER 4 18.735 8.213 4.790 25 H HIS 5 H HIS 5 18.803 9.712 9.055 26 HA HIS 5 HA HIS 5 21.556 9.030 8.515 27 HB2 HIS 5 1HB HIS 5 20.284 10.359 10.934 28 HB3 HIS 5 2HB HIS 5 22.006 10.046 10.787 29 HD1 HIS 5 HD1 HIS 5 23.238 12.095 10.118 30 HD2 HIS 5 HD2 HIS 5 19.415 12.008 8.495 31 HE1 HIS 5 HE1 HIS 5 23.023 14.209 8.772 32 HE2 HIS 5 HE2 HIS 5 20.881 13.840 7.496 33 H HIS 6 H HIS 6 21.573 6.886 8.414 34 HA HIS 6 HA HIS 6 21.940 4.774 9.138 35 HB2 HIS 6 1HB HIS 6 23.181 5.632 11.069 36 HB3 HIS 6 2HB HIS 6 21.695 6.033 11.902 37 HD1 HIS 6 HD1 HIS 6 23.935 3.104 11.071 38 HD2 HIS 6 HD2 HIS 6 20.580 3.970 13.363 39 HE1 HIS 6 HE1 HIS 6 23.570 1.091 12.527 40 HE2 HIS 6 HE2 HIS 6 21.331 1.553 13.613 41 H HIS 7 H HIS 7 20.471 3.258 8.695 42 HA HIS 7 HA HIS 7 17.698 3.851 9.081 43 HB2 HIS 7 1HB HIS 7 19.005 1.398 7.819 44 HB3 HIS 7 2HB HIS 7 17.264 1.552 7.977 45 HD1 HIS 7 HD1 HIS 7 17.635 1.305 5.057 46 HD2 HIS 7 HD2 HIS 7 18.628 4.931 6.939 47 HE1 HIS 7 HE1 HIS 7 17.686 2.985 3.284 48 HE2 HIS 7 HE2 HIS 7 18.204 5.192 4.412 49 H HIS 8 H HIS 8 18.179 3.998 11.387 50 HA HIS 8 HA HIS 8 18.165 3.378 13.495 51 HB2 HIS 8 1HB HIS 8 15.499 2.399 12.527 52 HB3 HIS 8 2HB HIS 8 15.913 2.378 14.240 53 HD1 HIS 8 HD1 HIS 8 14.221 4.551 11.891 54 HD2 HIS 8 HD2 HIS 8 16.934 5.156 15.016 55 HE1 HIS 8 HE1 HIS 8 14.022 6.935 12.503 56 HE2 HIS 8 HE2 HIS 8 15.751 7.329 14.281 57 H HIS 9 H HIS 9 16.469 0.358 13.408 58 HA HIS 9 HA HIS 9 18.941 -0.813 14.583 59 HB2 HIS 9 1HB HIS 9 17.535 -2.524 15.632 60 HB3 HIS 9 2HB HIS 9 16.811 -0.963 15.961 61 HD1 HIS 9 HD1 HIS 9 14.334 -0.628 15.125 62 HD2 HIS 9 HD2 HIS 9 16.001 -4.238 13.868 63 HE1 HIS 9 HE1 HIS 9 12.456 -1.947 14.164 64 HE2 HIS 9 HE2 HIS 9 13.507 -3.933 13.137 65 H HIS 10 H HIS 10 17.068 -0.675 12.019 66 HA HIS 10 HA HIS 10 17.804 -1.934 9.947 67 HB2 HIS 10 1HB HIS 10 18.106 -4.198 10.887 68 HB3 HIS 10 2HB HIS 10 16.661 -4.043 11.869 69 HD1 HIS 10 HD1 HIS 10 14.394 -4.770 10.791 70 HD2 HIS 10 HD2 HIS 10 17.575 -4.789 8.094 71 HE1 HIS 10 HE1 HIS 10 13.609 -6.020 8.882 72 HE2 HIS 10 HE2 HIS 10 15.167 -5.405 7.184 73 H SER 11 H SER 11 16.468 -0.112 9.641 74 HA SER 11 HA SER 11 14.429 1.133 9.696 75 HB2 SER 11 1HB SER 11 12.654 -0.167 8.516 76 HB3 SER 11 2HB SER 11 14.142 0.035 7.656 77 HG SER 11 HG SER 11 13.273 -2.355 8.948 78 H GLN 12 H GLN 12 11.819 -0.329 10.194 79 HA GLN 12 HA GLN 12 12.151 0.219 13.035 80 HB2 GLN 12 1HB GLN 12 10.321 1.721 11.177 81 HB3 GLN 12 2HB GLN 12 10.294 1.834 12.940 82 HG2 GLN 12 1HG GLN 12 12.482 2.753 13.012 83 HG3 GLN 12 2HG GLN 12 12.765 2.360 11.316 84 HE21 GLN 12 1HE2 GLN 12 10.049 5.330 11.678 85 HE22 GLN 12 2HE2 GLN 12 9.759 3.772 12.368 86 H ASP 13 H ASP 13 11.641 -2.128 11.605 87 HA ASP 13 HA ASP 13 9.043 -2.764 11.610 88 HB2 ASP 13 1HB ASP 13 10.280 -4.977 11.351 89 HB3 ASP 13 2HB ASP 13 10.060 -3.754 10.079 90 HA PRO 14 HA PRO 14 9.166 -5.025 15.594 91 HB2 PRO 14 2HB PRO 14 6.360 -5.528 15.344 92 HB3 PRO 14 1HB PRO 14 7.108 -4.208 16.271 93 HG2 PRO 14 2HG PRO 14 5.531 -3.803 14.056 94 HG3 PRO 14 1HG PRO 14 6.758 -2.659 14.645 95 HD2 PRO 14 2HD PRO 14 7.034 -4.777 12.563 96 HD3 PRO 14 1HD PRO 14 7.533 -3.100 12.378 97 H MET 15 H MET 15 6.552 -6.471 13.415 98 HA MET 15 HA MET 15 8.089 -8.800 13.416 99 HB2 MET 15 1HB MET 15 5.132 -8.347 13.478 100 HB3 MET 15 2HB MET 15 5.741 -9.932 12.907 101 HG2 MET 15 1HG MET 15 6.122 -8.497 15.439 102 HG3 MET 15 2HG MET 15 4.773 -9.544 15.099 103 HE1 MET 15 1HE MET 15 8.668 -9.433 15.806 104 HE2 MET 15 2HE MET 15 8.775 -10.355 14.288 105 HE3 MET 15 3HE MET 15 9.119 -11.129 15.818 106 H GLU 16 H GLU 16 7.606 -6.258 11.704 107 HA GLU 16 HA GLU 16 6.670 -7.068 9.161 108 HB2 GLU 16 1HB GLU 16 8.271 -4.648 10.028 109 HB3 GLU 16 2HB GLU 16 7.546 -4.835 8.428 110 HG2 GLU 16 1HG GLU 16 5.389 -4.809 9.304 111 HG3 GLU 16 2HG GLU 16 5.930 -4.949 10.969 112 H ASN 17 H ASN 17 9.490 -7.742 10.703 113 HA ASN 17 HA ASN 17 11.255 -7.748 8.381 114 HB2 ASN 17 1HB ASN 17 12.099 -7.095 10.726 115 HB3 ASN 17 2HB ASN 17 11.712 -8.699 11.107 116 HD21 ASN 17 1HD2 ASN 17 15.109 -9.414 10.561 117 HD22 ASN 17 2HD2 ASN 17 13.890 -9.025 11.725 118 H GLN 18 H GLN 18 9.495 -9.138 7.805 119 HA GLN 18 HA GLN 18 9.496 -11.891 8.260 120 HB2 GLN 18 1HB GLN 18 8.637 -10.014 6.125 121 HB3 GLN 18 2HB GLN 18 8.297 -11.720 6.060 122 HG2 GLN 18 1HG GLN 18 7.394 -9.812 8.216 123 HG3 GLN 18 2HG GLN 18 6.379 -10.440 6.919 124 HE21 GLN 18 1HE2 GLN 18 6.073 -12.360 10.162 125 HE22 GLN 18 2HE2 GLN 18 6.190 -10.665 9.845 126 HA PRO 19 HA PRO 19 12.867 -13.388 5.609 127 HB2 PRO 19 2HB PRO 19 10.886 -14.586 3.730 128 HB3 PRO 19 1HB PRO 19 12.238 -15.368 4.579 129 HG2 PRO 19 2HG PRO 19 9.787 -15.822 5.380 130 HG3 PRO 19 1HG PRO 19 11.087 -15.562 6.562 131 HD2 PRO 19 2HD PRO 19 8.948 -13.678 5.693 132 HD3 PRO 19 1HD PRO 19 9.611 -13.961 7.317 133 H LYS 20 H LYS 20 14.122 -12.709 3.718 134 HA LYS 20 HA LYS 20 13.433 -10.524 2.624 135 HB2 LYS 20 1HB LYS 20 15.352 -12.592 1.852 136 HB3 LYS 20 2HB LYS 20 15.305 -10.941 1.265 137 HG2 LYS 20 1HG LYS 20 15.646 -11.786 4.076 138 HG3 LYS 20 2HG LYS 20 16.943 -11.008 3.131 139 HD2 LYS 20 1HD LYS 20 16.124 -8.972 4.114 140 HD3 LYS 20 2HD LYS 20 14.714 -9.385 3.101 141 HE2 LYS 20 1HE LYS 20 13.559 -10.382 4.664 142 HE3 LYS 20 2HE LYS 20 14.862 -10.536 5.846 143 HZ1 LYS 20 1HZ LYS 20 14.638 -7.978 6.080 144 HZ2 LYS 20 2HZ LYS 20 13.338 -8.863 6.584 145 HZ3 LYS 20 3HZ LYS 20 13.220 -8.047 5.186 146 H LEU 21 H LEU 21 13.523 -9.991 0.336 147 HA LEU 21 HA LEU 21 11.051 -10.158 -0.276 148 HB2 LEU 21 1HB LEU 21 13.441 -9.238 -1.729 149 HB3 LEU 21 2HB LEU 21 11.900 -8.560 -2.019 150 HG LEU 21 HG LEU 21 13.924 -8.074 -0.229 151 HD11 LEU 21 1HD1 LEU 21 13.087 -6.044 -0.279 152 HD12 LEU 21 2HD1 LEU 21 11.535 -6.823 -0.207 153 HD13 LEU 21 3HD1 LEU 21 12.503 -6.847 -1.829 154 HD21 LEU 21 1HD2 LEU 21 12.680 -8.984 1.425 155 HD22 LEU 21 2HD2 LEU 21 11.286 -8.172 0.571 156 HD23 LEU 21 3HD2 LEU 21 12.648 -7.162 1.354 157 H ASN 22 H ASN 22 13.490 -10.877 -2.704 158 HA ASN 22 HA ASN 22 13.744 -12.447 -4.274 159 HB2 ASN 22 1HB ASN 22 11.806 -14.178 -2.684 160 HB3 ASN 22 2HB ASN 22 13.160 -14.677 -3.684 161 HD21 ASN 22 1HD2 ASN 22 13.883 -14.425 -0.159 162 HD22 ASN 22 2HD2 ASN 22 12.408 -14.930 -0.888 163 H SER 23 H SER 23 11.458 -10.585 -4.060 164 HA SER 23 HA SER 23 10.243 -9.642 -5.640 165 HB2 SER 23 1HB SER 23 11.066 -10.786 -7.551 166 HB3 SER 23 2HB SER 23 10.193 -12.278 -7.145 167 HG SER 23 HG SER 23 8.942 -11.362 -8.612 168 H SER 24 H SER 24 8.470 -8.894 -5.468 169 HA SER 24 HA SER 24 6.501 -8.435 -5.081 170 HB2 SER 24 1HB SER 24 5.813 -11.314 -5.582 171 HB3 SER 24 2HB SER 24 4.693 -9.949 -5.645 172 HG SER 24 HG SER 24 7.019 -10.273 -7.220 173 H LYS 25 H LYS 25 5.790 -11.527 -3.250 174 HA LYS 25 HA LYS 25 4.167 -10.195 -1.570 175 HB2 LYS 25 1HB LYS 25 3.993 -12.405 -2.123 176 HB3 LYS 25 2HB LYS 25 5.636 -12.727 -1.699 177 HG2 LYS 25 1HG LYS 25 5.287 -13.009 0.296 178 HG3 LYS 25 2HG LYS 25 4.400 -11.502 0.436 179 HD2 LYS 25 1HD LYS 25 2.997 -13.313 1.151 180 HD3 LYS 25 2HD LYS 25 2.532 -12.646 -0.450 181 HE2 LYS 25 1HE LYS 25 2.548 -15.198 -0.487 182 HE3 LYS 25 2HE LYS 25 3.591 -14.241 -1.585 183 HZ1 LYS 25 1HZ LYS 25 4.743 -15.295 0.950 184 HZ2 LYS 25 2HZ LYS 25 5.538 -14.761 -0.334 185 HZ3 LYS 25 3HZ LYS 25 4.768 -16.261 -0.428 186 H GLU 26 H GLU 26 7.094 -11.793 -0.953 187 HA GLU 26 HA GLU 26 7.195 -10.854 1.567 188 HB2 GLU 26 1HB GLU 26 9.252 -12.305 -0.039 189 HB3 GLU 26 2HB GLU 26 9.758 -11.646 1.499 190 HG2 GLU 26 1HG GLU 26 9.167 -14.019 1.657 191 HG3 GLU 26 2HG GLU 26 8.140 -13.024 2.667 192 H VAL 27 H VAL 27 7.831 -9.044 -1.078 193 HA VAL 27 HA VAL 27 9.770 -7.201 0.229 194 HB VAL 27 HB VAL 27 10.436 -6.577 -1.724 195 HG11 VAL 27 1HG1 VAL 27 10.069 -8.808 -1.971 196 HG12 VAL 27 2HG1 VAL 27 10.167 -7.844 -3.514 197 HG13 VAL 27 3HG1 VAL 27 8.539 -8.428 -2.864 198 HG21 VAL 27 1HG2 VAL 27 9.087 -5.618 -3.375 199 HG22 VAL 27 2HG2 VAL 27 8.582 -5.210 -1.672 200 HG23 VAL 27 3HG2 VAL 27 7.655 -6.400 -2.617 201 H ILE 28 H ILE 28 6.225 -7.564 -0.228 202 HA ILE 28 HA ILE 28 5.727 -4.982 0.412 203 HB ILE 28 HB ILE 28 4.582 -7.595 1.115 204 HG12 ILE 28 1HG1 ILE 28 3.557 -7.362 -1.057 205 HG13 ILE 28 2HG1 ILE 28 2.811 -6.346 0.031 206 HG21 ILE 28 1HG2 ILE 28 2.495 -6.475 2.017 207 HG22 ILE 28 2HG2 ILE 28 3.218 -4.911 1.804 208 HG23 ILE 28 3HG2 ILE 28 3.929 -6.063 2.956 209 HD11 ILE 28 1HD1 ILE 28 3.725 -4.319 -0.537 210 HD12 ILE 28 2HD1 ILE 28 3.553 -5.227 -2.097 211 HD13 ILE 28 3HD1 ILE 28 5.086 -5.203 -1.222 212 H ALA 29 H ALA 29 6.441 -7.845 2.056 213 HA ALA 29 HA ALA 29 6.473 -6.991 4.463 214 HB1 ALA 29 1HB ALA 29 8.486 -8.857 3.536 215 HB2 ALA 29 2HB ALA 29 6.759 -9.120 3.383 216 HB3 ALA 29 3HB ALA 29 7.481 -8.904 5.039 217 H PHE 30 H PHE 30 9.257 -6.680 2.211 218 HA PHE 30 HA PHE 30 10.909 -5.533 4.128 219 HB2 PHE 30 2HB PHE 30 12.185 -5.861 2.493 220 HB3 PHE 30 1HB PHE 30 10.820 -5.887 1.331 221 HD1 PHE 30 1HD PHE 30 10.707 -4.345 -0.243 222 HD2 PHE 30 2HD PHE 30 12.958 -3.423 3.310 223 HE1 PHE 30 1HE PHE 30 11.514 -2.332 -1.192 224 HE2 PHE 30 2HE PHE 30 13.739 -1.424 2.284 225 HZ PHE 30 HZ PHE 30 13.039 -0.870 0.044 226 H LEU 31 H LEU 31 8.688 -4.373 1.715 227 HA LEU 31 HA LEU 31 9.050 -1.728 1.900 228 HB2 LEU 31 1HB LEU 31 6.930 -3.580 1.333 229 HB3 LEU 31 2HB LEU 31 6.427 -1.906 1.217 230 HG LEU 31 HG LEU 31 8.382 -3.495 -0.269 231 HD11 LEU 31 1HD1 LEU 31 6.552 -1.536 -1.539 232 HD12 LEU 31 2HD1 LEU 31 5.913 -2.987 -0.676 233 HD13 LEU 31 3HD1 LEU 31 7.223 -3.161 -1.903 234 HD21 LEU 31 1HD2 LEU 31 9.727 -1.849 0.086 235 HD22 LEU 31 2HD2 LEU 31 8.439 -0.615 0.241 236 HD23 LEU 31 3HD2 LEU 31 8.927 -1.208 -1.364 237 H ALA 32 H ALA 32 7.370 -3.901 3.815 238 HA ALA 32 HA ALA 32 6.011 -1.962 5.431 239 HB1 ALA 32 1HB ALA 32 6.475 -4.846 5.776 240 HB2 ALA 32 2HB ALA 32 5.248 -4.072 4.744 241 HB3 ALA 32 3HB ALA 32 5.133 -3.865 6.459 242 H GLU 33 H GLU 33 9.025 -3.803 5.695 243 HA GLU 33 HA GLU 33 9.137 -3.402 8.425 244 HB2 GLU 33 1HB GLU 33 11.186 -4.691 8.318 245 HB3 GLU 33 2HB GLU 33 9.908 -4.985 7.075 246 HG2 GLU 33 1HG GLU 33 11.019 -4.083 5.403 247 HG3 GLU 33 2HG GLU 33 12.150 -3.235 6.358 248 H ARG 34 H ARG 34 9.972 -2.029 5.724 249 HA ARG 34 HA ARG 34 11.782 0.035 6.487 250 HB2 ARG 34 1HB ARG 34 11.593 -1.482 4.400 251 HB3 ARG 34 2HB ARG 34 10.429 -0.331 3.838 252 HG2 ARG 34 1HG ARG 34 12.538 0.193 3.025 253 HG3 ARG 34 2HG ARG 34 11.945 1.334 4.350 254 HD2 ARG 34 1HD ARG 34 13.877 0.847 5.561 255 HD3 ARG 34 2HD ARG 34 13.115 -0.765 5.477 256 HE ARG 34 HE ARG 34 14.993 0.033 3.478 257 HH11 ARG 34 1HH1 ARG 34 13.759 -2.242 5.923 258 HH12 ARG 34 2HH1 ARG 34 14.779 -3.496 5.573 259 HH21 ARG 34 1HH2 ARG 34 16.608 -1.530 3.144 260 HH22 ARG 34 2HH2 ARG 34 16.594 -3.075 3.908 261 H PHE 35 H PHE 35 8.387 -0.179 5.200 262 HA PHE 35 HA PHE 35 7.973 2.542 6.118 263 HB2 PHE 35 2HB PHE 35 7.234 0.716 4.175 264 HB3 PHE 35 1HB PHE 35 6.064 1.910 4.151 265 HD1 PHE 35 1HD PHE 35 7.958 0.662 2.222 266 HD2 PHE 35 2HD PHE 35 8.471 4.126 4.587 267 HE1 PHE 35 1HE PHE 35 9.564 1.334 0.763 268 HE2 PHE 35 2HE PHE 35 10.213 4.910 3.023 269 HZ PHE 35 HZ PHE 35 10.808 3.477 1.055 270 HA PRO 36 HA PRO 36 5.307 -0.189 9.115 271 HB2 PRO 36 2HB PRO 36 5.775 2.368 10.494 272 HB3 PRO 36 1HB PRO 36 5.970 0.696 11.111 273 HG2 PRO 36 2HG PRO 36 7.920 2.516 10.205 274 HG3 PRO 36 1HG PRO 36 8.137 0.855 10.776 275 HD2 PRO 36 2HD PRO 36 8.623 1.681 8.239 276 HD3 PRO 36 1HD PRO 36 8.268 0.026 8.715 277 H HIS 37 H HIS 37 4.906 2.695 7.232 278 HA HIS 37 HA HIS 37 2.224 3.132 8.368 279 HB2 HIS 37 1HB HIS 37 3.851 5.331 7.426 280 HB3 HIS 37 2HB HIS 37 3.127 4.709 6.022 281 HD1 HIS 37 HD1 HIS 37 2.501 7.252 8.313 282 HD2 HIS 37 HD2 HIS 37 0.272 4.403 6.336 283 HE1 HIS 37 HE1 HIS 37 0.188 8.205 8.263 284 HE2 HIS 37 HE2 HIS 37 -0.948 6.704 6.617 285 H CYS 38 H CYS 38 3.660 3.180 5.222 286 HA CYS 38 HA CYS 38 1.632 2.707 3.598 287 HB2 CYS 38 2HB CYS 38 4.460 1.758 3.080 288 HB3 CYS 38 1HB CYS 38 3.345 2.680 2.076 289 HG CYS 38 HG CYS 38 5.726 3.966 3.367 290 H PHE 39 H PHE 39 3.857 0.321 4.944 291 HA PHE 39 HA PHE 39 2.260 -1.729 3.627 292 HB2 PHE 39 2HB PHE 39 4.802 -0.842 4.114 293 HB3 PHE 39 1HB PHE 39 5.099 -2.363 3.800 294 HD1 PHE 39 1HD PHE 39 6.017 0.091 2.825 295 HD2 PHE 39 2HD PHE 39 2.866 -2.324 1.432 296 HE1 PHE 39 1HE PHE 39 6.332 0.989 0.926 297 HE2 PHE 39 2HE PHE 39 3.135 -1.372 -0.773 298 HZ PHE 39 HZ PHE 39 4.861 0.352 -1.130 299 H SER 40 H SER 40 1.924 -3.606 4.837 300 HA SER 40 HA SER 40 2.212 -3.473 7.805 301 HB2 SER 40 1HB SER 40 0.901 -5.342 6.000 302 HB3 SER 40 2HB SER 40 0.965 -5.431 7.757 303 HG SER 40 HG SER 40 0.189 -3.004 7.171 304 H ALA 41 H ALA 41 2.139 -6.527 6.511 305 HA ALA 41 HA ALA 41 3.786 -8.014 5.803 306 HB1 ALA 41 1HB ALA 41 5.353 -6.341 7.571 307 HB2 ALA 41 2HB ALA 41 5.273 -6.358 5.805 308 HB3 ALA 41 3HB ALA 41 6.076 -7.756 6.674 309 H GLU 42 H GLU 42 3.356 -6.377 8.622 310 HA GLU 42 HA GLU 42 3.143 -8.084 10.766 311 HB2 GLU 42 1HB GLU 42 1.916 -5.982 9.532 312 HB3 GLU 42 2HB GLU 42 1.138 -6.409 10.872 313 HG2 GLU 42 1HG GLU 42 3.888 -5.352 10.415 314 HG3 GLU 42 2HG GLU 42 2.657 -4.463 11.315 315 H GLY 43 H GLY 43 1.358 -7.030 8.346 316 HA2 GLY 43 1HA GLY 43 -0.648 -8.860 8.939 317 HA3 GLY 43 2HA GLY 43 -1.194 -7.204 8.790 318 H GLU 44 H GLU 44 -2.529 -8.706 7.150 319 HA GLU 44 HA GLU 44 -1.909 -9.484 4.719 320 HB2 GLU 44 1HB GLU 44 -4.154 -9.219 6.010 321 HB3 GLU 44 2HB GLU 44 -4.175 -7.643 5.238 322 HG2 GLU 44 1HG GLU 44 -4.124 -8.636 3.110 323 HG3 GLU 44 2HG GLU 44 -4.224 -10.264 3.817 324 H ALA 45 H ALA 45 -2.877 -6.125 5.553 325 HA ALA 45 HA ALA 45 -0.981 -4.829 3.944 326 HB1 ALA 45 1HB ALA 45 -3.758 -5.165 2.879 327 HB2 ALA 45 2HB ALA 45 -2.223 -5.643 2.071 328 HB3 ALA 45 3HB ALA 45 -2.639 -3.934 2.256 329 H ARG 46 H ARG 46 -1.995 -2.505 3.519 330 HA ARG 46 HA ARG 46 -3.872 -1.571 5.416 331 HB2 ARG 46 1HB ARG 46 -0.913 -0.744 5.430 332 HB3 ARG 46 2HB ARG 46 -2.151 0.399 5.933 333 HG2 ARG 46 1HG ARG 46 -2.867 -1.194 7.696 334 HG3 ARG 46 2HG ARG 46 -1.583 -2.283 7.213 335 HD2 ARG 46 1HD ARG 46 -1.019 0.538 8.157 336 HD3 ARG 46 2HD ARG 46 -1.232 -0.780 9.292 337 HE ARG 46 HE ARG 46 0.925 -0.686 7.260 338 HH11 ARG 46 1HH1 ARG 46 -0.100 -1.434 10.635 339 HH12 ARG 46 2HH1 ARG 46 1.484 -1.873 11.119 340 HH21 ARG 46 1HH2 ARG 46 3.114 -1.374 8.105 341 HH22 ARG 46 2HH2 ARG 46 3.357 -1.851 9.649 342 HA PRO 47 HA PRO 47 -4.825 0.607 1.702 343 HB2 PRO 47 2HB PRO 47 -4.993 3.237 3.107 344 HB3 PRO 47 1HB PRO 47 -6.337 2.459 2.231 345 HG2 PRO 47 2HG PRO 47 -6.310 2.552 4.864 346 HG3 PRO 47 1HG PRO 47 -6.876 1.105 4.009 347 HD2 PRO 47 2HD PRO 47 -4.314 1.529 5.481 348 HD3 PRO 47 1HD PRO 47 -5.333 0.080 5.370 349 H LEU 48 H LEU 48 -3.738 1.613 0.047 350 HA LEU 48 HA LEU 48 -1.328 3.094 0.577 351 HB2 LEU 48 1HB LEU 48 -0.412 1.036 0.704 352 HB3 LEU 48 2HB LEU 48 -1.546 0.218 -0.303 353 HG LEU 48 HG LEU 48 -0.462 1.793 -1.967 354 HD11 LEU 48 1HD1 LEU 48 1.318 2.706 -0.773 355 HD12 LEU 48 2HD1 LEU 48 2.052 1.214 -1.489 356 HD13 LEU 48 3HD1 LEU 48 1.422 1.194 0.158 357 HD21 LEU 48 1HD2 LEU 48 1.178 -0.189 -2.370 358 HD22 LEU 48 2HD2 LEU 48 -0.511 -0.107 -2.780 359 HD23 LEU 48 3HD2 LEU 48 -0.016 -0.922 -1.257 360 H LYS 49 H LYS 49 -0.443 3.828 -1.758 361 HA LYS 49 HA LYS 49 -2.590 4.343 -3.554 362 HB2 LYS 49 1HB LYS 49 -0.863 5.822 -4.416 363 HB3 LYS 49 2HB LYS 49 -1.394 6.390 -2.837 364 HG2 LYS 49 1HG LYS 49 0.711 5.243 -2.000 365 HG3 LYS 49 2HG LYS 49 1.124 5.042 -3.701 366 HD2 LYS 49 1HD LYS 49 0.740 7.697 -2.256 367 HD3 LYS 49 2HD LYS 49 2.255 6.963 -2.658 368 HE2 LYS 49 1HE LYS 49 1.961 7.277 -5.000 369 HE3 LYS 49 2HE LYS 49 0.270 7.724 -4.807 370 HZ1 LYS 49 1HZ LYS 49 0.858 9.828 -3.943 371 HZ2 LYS 49 2HZ LYS 49 2.089 9.647 -5.093 372 HZ3 LYS 49 3HZ LYS 49 2.355 9.331 -3.476 373 H ILE 50 H ILE 50 -1.819 3.817 -5.726 374 HA ILE 50 HA ILE 50 0.277 1.831 -5.639 375 HB ILE 50 HB ILE 50 -2.026 2.131 -7.336 376 HG12 ILE 50 1HG1 ILE 50 -0.245 -0.027 -6.211 377 HG13 ILE 50 2HG1 ILE 50 -1.776 0.589 -5.585 378 HG21 ILE 50 1HG2 ILE 50 -0.915 1.013 -9.249 379 HG22 ILE 50 2HG2 ILE 50 0.564 1.157 -8.207 380 HG23 ILE 50 3HG2 ILE 50 -0.171 2.619 -8.824 381 HD11 ILE 50 1HD1 ILE 50 -1.937 -1.608 -6.629 382 HD12 ILE 50 2HD1 ILE 50 -1.324 -0.884 -8.118 383 HD13 ILE 50 3HD1 ILE 50 -2.896 -0.319 -7.434 384 H GLY 51 H GLY 51 0.011 4.743 -7.072 385 HA2 GLY 51 1HA GLY 51 2.546 4.634 -8.555 386 HA3 GLY 51 2HA GLY 51 1.695 6.094 -8.059 387 H ILE 52 H ILE 52 2.021 4.820 -5.073 388 HA ILE 52 HA ILE 52 4.212 5.901 -4.006 389 HB ILE 52 HB ILE 52 2.699 4.735 -2.613 390 HG12 ILE 52 1HG1 ILE 52 5.233 3.424 -3.099 391 HG13 ILE 52 2HG1 ILE 52 4.916 4.689 -2.017 392 HG21 ILE 52 1HG2 ILE 52 2.366 2.411 -2.811 393 HG22 ILE 52 2HG2 ILE 52 3.465 2.340 -4.199 394 HG23 ILE 52 3HG2 ILE 52 1.874 3.129 -4.368 395 HD11 ILE 52 1HD1 ILE 52 3.528 2.097 -1.990 396 HD12 ILE 52 2HD1 ILE 52 3.892 3.079 -0.521 397 HD13 ILE 52 3HD1 ILE 52 5.138 2.204 -1.525 398 H PHE 53 H PHE 53 4.021 2.921 -5.884 399 HA PHE 53 HA PHE 53 6.098 1.595 -5.075 400 HB2 PHE 53 2HB PHE 53 4.817 0.764 -6.547 401 HB3 PHE 53 1HB PHE 53 4.832 2.088 -7.684 402 HD1 PHE 53 1HD PHE 53 6.643 -0.253 -6.063 403 HD2 PHE 53 2HD PHE 53 6.582 2.047 -9.454 404 HE1 PHE 53 1HE PHE 53 8.286 -1.625 -6.910 405 HE2 PHE 53 2HE PHE 53 8.593 0.726 -10.376 406 HZ PHE 53 HZ PHE 53 9.394 -1.187 -8.980 407 H GLN 54 H GLN 54 6.005 4.021 -7.386 408 HA GLN 54 HA GLN 54 8.611 4.509 -8.253 409 HB2 GLN 54 1HB GLN 54 6.483 5.261 -9.100 410 HB3 GLN 54 2HB GLN 54 6.239 5.593 -7.602 411 HG2 GLN 54 1HG GLN 54 8.135 7.162 -7.768 412 HG3 GLN 54 2HG GLN 54 7.149 7.866 -9.197 413 HE21 GLN 54 1HE2 GLN 54 7.026 7.180 -5.378 414 HE22 GLN 54 2HE2 GLN 54 6.128 6.180 -6.217 415 H ASP 55 H ASP 55 7.468 4.979 -5.448 416 HA ASP 55 HA ASP 55 9.147 7.155 -4.605 417 HB2 ASP 55 1HB ASP 55 6.415 6.626 -3.732 418 HB3 ASP 55 2HB ASP 55 7.309 5.863 -2.891 419 H LEU 56 H LEU 56 7.979 4.247 -3.770 420 HA LEU 56 HA LEU 56 9.482 3.243 -1.746 421 HB2 LEU 56 1HB LEU 56 8.164 2.483 -4.261 422 HB3 LEU 56 2HB LEU 56 8.099 2.924 -2.619 423 HG LEU 56 HG LEU 56 8.687 0.304 -2.801 424 HD11 LEU 56 1HD1 LEU 56 7.405 0.650 -0.835 425 HD12 LEU 56 2HD1 LEU 56 6.950 2.195 -1.574 426 HD13 LEU 56 3HD1 LEU 56 8.585 2.012 -0.819 427 HD21 LEU 56 1HD2 LEU 56 6.624 2.060 -3.317 428 HD22 LEU 56 2HD2 LEU 56 6.331 0.614 -2.388 429 HD23 LEU 56 3HD2 LEU 56 6.970 0.445 -4.100 430 H VAL 57 H VAL 57 9.697 3.133 -5.013 431 HA VAL 57 HA VAL 57 12.025 1.827 -5.021 432 HB VAL 57 HB VAL 57 12.277 2.287 -7.349 433 HG11 VAL 57 1HG1 VAL 57 9.476 2.065 -7.110 434 HG12 VAL 57 2HG1 VAL 57 10.246 1.421 -5.708 435 HG13 VAL 57 3HG1 VAL 57 10.690 0.669 -7.337 436 HG21 VAL 57 1HG2 VAL 57 10.036 4.232 -6.840 437 HG22 VAL 57 2HG2 VAL 57 10.503 3.548 -8.413 438 HG23 VAL 57 3HG2 VAL 57 11.695 4.474 -7.398 439 H ASP 58 H ASP 58 11.514 5.276 -4.977 440 HA ASP 58 HA ASP 58 13.848 6.376 -5.689 441 HB2 ASP 58 1HB ASP 58 11.703 7.118 -4.230 442 HB3 ASP 58 2HB ASP 58 12.861 6.812 -3.072 443 H ARG 59 H ARG 59 12.772 4.733 -2.911 444 HA ARG 59 HA ARG 59 14.856 5.161 -1.096 445 HB2 ARG 59 1HB ARG 59 12.164 4.649 -1.364 446 HB3 ARG 59 2HB ARG 59 12.820 4.223 0.256 447 HG2 ARG 59 1HG ARG 59 13.298 6.571 0.600 448 HG3 ARG 59 2HG ARG 59 13.043 6.949 -1.101 449 HD2 ARG 59 1HD ARG 59 10.860 7.220 -0.803 450 HD3 ARG 59 2HD ARG 59 10.742 5.671 0.039 451 HE ARG 59 HE ARG 59 11.673 7.091 1.990 452 HH11 ARG 59 1HH1 ARG 59 9.236 8.487 -0.389 453 HH12 ARG 59 2HH1 ARG 59 8.659 9.546 0.781 454 HH21 ARG 59 1HH2 ARG 59 10.720 8.729 3.477 455 HH22 ARG 59 2HH2 ARG 59 9.495 9.737 2.892 456 H VAL 60 H VAL 60 12.512 2.573 -2.046 457 HA VAL 60 HA VAL 60 13.313 0.837 -0.273 458 HB VAL 60 HB VAL 60 11.982 -0.683 -1.701 459 HG11 VAL 60 1HG1 VAL 60 10.936 0.455 -0.219 460 HG12 VAL 60 2HG1 VAL 60 10.295 0.969 -1.958 461 HG13 VAL 60 3HG1 VAL 60 11.396 2.036 -0.998 462 HG21 VAL 60 1HG2 VAL 60 12.039 -0.256 -3.808 463 HG22 VAL 60 2HG2 VAL 60 12.394 1.401 -3.379 464 HG23 VAL 60 3HG2 VAL 60 10.718 0.901 -3.357 465 H ALA 61 H ALA 61 14.068 1.060 -3.534 466 HA ALA 61 HA ALA 61 13.831 -1.478 -4.022 467 HB1 ALA 61 1HB ALA 61 14.601 -1.202 -6.093 468 HB2 ALA 61 2HB ALA 61 15.463 0.312 -5.618 469 HB3 ALA 61 3HB ALA 61 13.683 0.160 -5.466 470 H GLY 62 H GLY 62 16.757 -0.530 -4.555 471 HA2 GLY 62 1HA GLY 62 17.381 -3.275 -4.036 472 HA3 GLY 62 2HA GLY 62 18.374 -2.362 -5.102 473 H GLU 63 H GLU 63 17.206 -1.476 -2.154 474 HA GLU 63 HA GLU 63 19.406 -1.015 -0.649 475 HB2 GLU 63 1HB GLU 63 16.694 -1.812 -0.191 476 HB3 GLU 63 2HB GLU 63 17.653 -2.064 1.210 477 HG2 GLU 63 1HG GLU 63 18.280 0.563 0.504 478 HG3 GLU 63 2HG GLU 63 16.694 0.306 -0.268 479 H MET 64 H MET 64 17.470 -3.819 -1.215 480 HA MET 64 HA MET 64 19.481 -5.604 -0.151 481 HB2 MET 64 1HB MET 64 16.682 -6.382 0.147 482 HB3 MET 64 2HB MET 64 18.108 -6.935 0.869 483 HG2 MET 64 1HG MET 64 18.190 -5.523 2.437 484 HG3 MET 64 2HG MET 64 17.496 -4.171 1.527 485 HE1 MET 64 1HE MET 64 15.101 -5.569 0.152 486 HE2 MET 64 2HE MET 64 14.955 -3.976 0.879 487 HE3 MET 64 3HE MET 64 13.772 -5.200 1.248 488 H ASN 65 H ASN 65 16.533 -5.948 -1.367 489 HA ASN 65 HA ASN 65 17.545 -7.758 -3.303 490 HB2 ASN 65 1HB ASN 65 15.429 -7.768 -1.389 491 HB3 ASN 65 2HB ASN 65 15.398 -9.081 -2.461 492 HD21 ASN 65 1HD2 ASN 65 16.881 -9.793 0.620 493 HD22 ASN 65 2HD2 ASN 65 15.401 -9.147 0.262 494 H LEU 66 H LEU 66 16.548 -5.132 -4.224 495 HA LEU 66 HA LEU 66 14.111 -5.919 -5.864 496 HB2 LEU 66 1HB LEU 66 14.822 -4.152 -4.026 497 HB3 LEU 66 2HB LEU 66 13.964 -3.157 -5.077 498 HG LEU 66 HG LEU 66 13.578 -4.783 -2.769 499 HD11 LEU 66 1HD1 LEU 66 13.067 -2.602 -2.777 500 HD12 LEU 66 2HD1 LEU 66 11.494 -3.456 -2.671 501 HD13 LEU 66 3HD1 LEU 66 12.070 -2.729 -4.203 502 HD21 LEU 66 1HD2 LEU 66 12.983 -6.232 -4.198 503 HD22 LEU 66 2HD2 LEU 66 11.666 -5.309 -4.994 504 HD23 LEU 66 3HD2 LEU 66 11.501 -5.881 -3.268 505 H SER 67 H SER 67 14.223 -5.647 -7.665 506 HA SER 67 HA SER 67 16.000 -3.760 -9.028 507 HB2 SER 67 1HB SER 67 16.241 -6.071 -9.553 508 HB3 SER 67 2HB SER 67 14.497 -6.254 -9.684 509 HG SER 67 HG SER 67 14.833 -4.627 -11.526 510 H LYS 68 H LYS 68 13.549 -2.911 -7.655 511 HA LYS 68 HA LYS 68 11.485 -1.878 -7.731 512 HB2 LYS 68 1HB LYS 68 11.548 -1.271 -10.500 513 HB3 LYS 68 2HB LYS 68 11.009 -0.220 -9.248 514 HG2 LYS 68 1HG LYS 68 13.728 -0.535 -10.428 515 HG3 LYS 68 2HG LYS 68 12.785 0.939 -10.156 516 HD2 LYS 68 1HD LYS 68 13.100 0.694 -7.745 517 HD3 LYS 68 2HD LYS 68 13.521 -0.896 -8.228 518 HE2 LYS 68 1HE LYS 68 15.611 0.479 -7.618 519 HE3 LYS 68 2HE LYS 68 15.624 0.012 -9.316 520 HZ1 LYS 68 1HZ LYS 68 16.200 2.347 -9.070 521 HZ2 LYS 68 2HZ LYS 68 14.773 2.656 -8.242 522 HZ3 LYS 68 3HZ LYS 68 14.716 2.215 -9.875 523 H THR 69 H THR 69 11.766 -4.017 -10.600 524 HA THR 69 HA THR 69 9.014 -3.668 -10.892 525 HB THR 69 HB THR 69 9.192 -5.104 -12.447 526 HG1 THR 69 1HG THR 69 11.442 -6.140 -12.928 527 HG21 THR 69 1HG2 THR 69 10.945 -3.976 -13.936 528 HG22 THR 69 2HG2 THR 69 11.501 -3.308 -12.384 529 HG23 THR 69 3HG2 THR 69 9.883 -2.898 -12.978 530 H GLN 70 H GLN 70 11.118 -5.785 -9.469 531 HA GLN 70 HA GLN 70 9.215 -7.896 -8.915 532 HB2 GLN 70 1HB GLN 70 10.955 -8.715 -7.366 533 HB3 GLN 70 2HB GLN 70 11.666 -8.396 -8.917 534 HG2 GLN 70 1HG GLN 70 12.472 -6.321 -8.190 535 HG3 GLN 70 2HG GLN 70 11.516 -6.691 -6.732 536 HE21 GLN 70 1HE2 GLN 70 13.570 -8.613 -5.277 537 HE22 GLN 70 2HE2 GLN 70 11.954 -8.037 -5.412 538 H LEU 71 H LEU 71 9.697 -4.849 -7.781 539 HA LEU 71 HA LEU 71 8.395 -5.147 -5.152 540 HB2 LEU 71 1HB LEU 71 10.567 -3.843 -5.711 541 HB3 LEU 71 2HB LEU 71 9.671 -2.763 -6.575 542 HG LEU 71 HG LEU 71 10.252 -2.941 -3.897 543 HD11 LEU 71 1HD1 LEU 71 8.879 -0.792 -5.367 544 HD12 LEU 71 2HD1 LEU 71 10.637 -1.056 -5.364 545 HD13 LEU 71 3HD1 LEU 71 9.858 -0.600 -3.875 546 HD21 LEU 71 1HD2 LEU 71 8.121 -1.988 -3.132 547 HD22 LEU 71 2HD2 LEU 71 8.290 -3.747 -3.372 548 HD23 LEU 71 3HD2 LEU 71 7.450 -2.773 -4.576 549 H ARG 72 H ARG 72 8.048 -3.691 -8.346 550 HA ARG 72 HA ARG 72 5.802 -2.268 -7.589 551 HB2 ARG 72 1HB ARG 72 5.385 -1.934 -10.118 552 HB3 ARG 72 2HB ARG 72 7.091 -1.817 -9.648 553 HG2 ARG 72 1HG ARG 72 7.280 -3.019 -11.471 554 HG3 ARG 72 2HG ARG 72 7.246 -4.105 -10.015 555 HD2 ARG 72 1HD ARG 72 5.877 -5.235 -11.654 556 HD3 ARG 72 2HD ARG 72 4.901 -4.346 -10.441 557 HE ARG 72 HE ARG 72 5.042 -2.579 -12.420 558 HH11 ARG 72 1HH1 ARG 72 4.077 -6.008 -12.453 559 HH12 ARG 72 2HH1 ARG 72 3.064 -5.889 -13.800 560 HH21 ARG 72 1HH2 ARG 72 3.607 -2.396 -14.354 561 HH22 ARG 72 2HH2 ARG 72 2.792 -3.771 -14.904 562 H SER 73 H SER 73 6.335 -5.395 -8.361 563 HA SER 73 HA SER 73 3.785 -6.180 -9.083 564 HB2 SER 73 1HB SER 73 5.535 -6.779 -9.995 565 HB3 SER 73 2HB SER 73 6.422 -7.200 -8.648 566 HG SER 73 HG SER 73 5.273 -9.201 -8.515 567 H ALA 74 H ALA 74 5.531 -5.689 -6.451 568 HA ALA 74 HA ALA 74 4.081 -7.416 -4.509 569 HB1 ALA 74 1HB ALA 74 5.371 -6.129 -2.822 570 HB2 ALA 74 2HB ALA 74 5.988 -5.103 -4.112 571 HB3 ALA 74 3HB ALA 74 6.432 -6.790 -4.051 572 H LEU 75 H LEU 75 3.929 -4.622 -6.008 573 HA LEU 75 HA LEU 75 2.232 -3.327 -4.081 574 HB2 LEU 75 1HB LEU 75 4.286 -3.267 -5.157 575 HB3 LEU 75 2HB LEU 75 4.003 -2.228 -6.301 576 HG LEU 75 HG LEU 75 3.880 -2.101 -3.268 577 HD11 LEU 75 1HD1 LEU 75 5.259 -0.328 -4.969 578 HD12 LEU 75 2HD1 LEU 75 5.866 -2.001 -5.054 579 HD13 LEU 75 3HD1 LEU 75 5.828 -1.095 -3.505 580 HD21 LEU 75 1HD2 LEU 75 3.853 0.352 -4.803 581 HD22 LEU 75 2HD2 LEU 75 3.329 0.004 -3.136 582 HD23 LEU 75 3HD2 LEU 75 2.258 -0.418 -4.497 583 H ARG 76 H ARG 76 1.900 -5.200 -6.706 584 HA ARG 76 HA ARG 76 -0.750 -4.127 -7.164 585 HB2 ARG 76 1HB ARG 76 0.907 -5.980 -8.841 586 HB3 ARG 76 2HB ARG 76 -0.838 -6.060 -8.967 587 HG2 ARG 76 1HG ARG 76 0.003 -4.721 -10.769 588 HG3 ARG 76 2HG ARG 76 -0.826 -3.651 -9.636 589 HD2 ARG 76 1HD ARG 76 1.750 -4.162 -8.929 590 HD3 ARG 76 2HD ARG 76 1.821 -3.338 -10.552 591 HE ARG 76 HE ARG 76 0.561 -2.415 -8.028 592 HH11 ARG 76 1HH1 ARG 76 2.365 -1.465 -10.875 593 HH12 ARG 76 2HH1 ARG 76 3.040 -0.046 -10.181 594 HH21 ARG 76 1HH2 ARG 76 1.513 -0.600 -7.025 595 HH22 ARG 76 2HH2 ARG 76 2.509 0.497 -7.857 596 H LEU 77 H LEU 77 1.212 -6.443 -5.764 597 HA LEU 77 HA LEU 77 -0.340 -8.796 -5.708 598 HB2 LEU 77 1HB LEU 77 2.271 -8.417 -5.176 599 HB3 LEU 77 2HB LEU 77 1.734 -7.894 -3.806 600 HG LEU 77 HG LEU 77 0.448 -10.275 -3.866 601 HD11 LEU 77 1HD1 LEU 77 3.343 -10.014 -4.118 602 HD12 LEU 77 2HD1 LEU 77 2.416 -10.666 -5.504 603 HD13 LEU 77 3HD1 LEU 77 2.586 -11.608 -3.966 604 HD21 LEU 77 1HD2 LEU 77 1.085 -8.922 -2.029 605 HD22 LEU 77 2HD2 LEU 77 2.704 -8.986 -2.750 606 HD23 LEU 77 3HD2 LEU 77 2.056 -10.455 -1.944 607 H TYR 78 H TYR 78 0.714 -6.704 -3.125 608 HA TYR 78 HA TYR 78 -1.249 -7.926 -1.538 609 HB2 TYR 78 2HB TYR 78 -0.270 -7.120 0.411 610 HB3 TYR 78 1HB TYR 78 1.101 -7.067 -0.638 611 HD1 TYR 78 1HD TYR 78 0.789 -4.681 -2.095 612 HD2 TYR 78 2HD TYR 78 -0.063 -5.618 1.883 613 HE1 TYR 78 1HE TYR 78 0.999 -2.390 -1.583 614 HE2 TYR 78 2HE TYR 78 0.187 -3.346 2.530 615 HH TYR 78 HH TYR 78 0.829 -1.280 1.876 616 H THR 79 H THR 79 -1.070 -5.477 -3.572 617 HA THR 79 HA THR 79 -3.061 -3.699 -2.361 618 HB THR 79 HB THR 79 -2.836 -2.281 -4.223 619 HG1 THR 79 1HG THR 79 -2.902 -3.846 -5.903 620 HG21 THR 79 1HG2 THR 79 -1.080 -2.376 -2.693 621 HG22 THR 79 2HG2 THR 79 -0.417 -2.039 -4.316 622 HG23 THR 79 3HG2 THR 79 -0.285 -3.653 -3.596 623 H SER 80 H SER 80 -3.087 -6.527 -4.120 624 HA SER 80 HA SER 80 -5.843 -6.208 -4.900 625 HB2 SER 80 1HB SER 80 -3.973 -8.594 -5.082 626 HB3 SER 80 2HB SER 80 -5.623 -8.560 -5.706 627 HG SER 80 HG SER 80 -3.362 -7.105 -6.580 628 H SER 81 H SER 81 -4.330 -6.467 -2.027 629 HA SER 81 HA SER 81 -6.004 -8.487 -0.883 630 HB2 SER 81 1HB SER 81 -4.158 -8.355 0.399 631 HB3 SER 81 2HB SER 81 -3.926 -6.602 0.069 632 HG SER 81 HG SER 81 -5.593 -7.906 1.991 633 H TRP 82 H TRP 82 -7.401 -7.924 0.591 634 HA TRP 82 HA TRP 82 -9.203 -5.636 -0.218 635 HB2 TRP 82 2HB TRP 82 -9.872 -8.211 0.895 636 HB3 TRP 82 1HB TRP 82 -10.002 -7.031 2.134 637 HD1 TRP 82 1HD TRP 82 -10.631 -5.899 -1.251 638 HE1 TRP 82 1HE TRP 82 -13.077 -5.477 -1.534 639 HE3 TRP 82 3HE TRP 82 -12.205 -8.109 2.949 640 HZ2 TRP 82 2HZ TRP 82 -15.378 -5.938 -0.161 641 HZ3 TRP 82 3HZ TRP 82 -14.559 -8.137 3.395 642 HH2 TRP 82 2HH TRP 82 -16.174 -7.042 1.747 643 H ARG 83 H ARG 83 -7.553 -6.696 2.389 644 HA ARG 83 HA ARG 83 -8.321 -4.585 4.046 645 HB2 ARG 83 1HB ARG 83 -7.486 -6.166 5.149 646 HB3 ARG 83 2HB ARG 83 -6.005 -6.479 4.208 647 HG2 ARG 83 1HG ARG 83 -5.173 -4.469 5.090 648 HG3 ARG 83 2HG ARG 83 -6.703 -4.219 5.921 649 HD2 ARG 83 1HD ARG 83 -4.441 -6.094 6.448 650 HD3 ARG 83 2HD ARG 83 -5.502 -5.276 7.571 651 HE ARG 83 HE ARG 83 -6.276 -7.685 6.018 652 HH11 ARG 83 1HH1 ARG 83 -6.627 -5.874 9.033 653 HH12 ARG 83 2HH1 ARG 83 -7.586 -7.079 9.772 654 HH21 ARG 83 1HH2 ARG 83 -7.437 -9.206 6.903 655 HH22 ARG 83 2HH2 ARG 83 -8.098 -9.135 8.486 656 H TYR 84 H TYR 84 -6.105 -4.726 1.708 657 HA TYR 84 HA TYR 84 -4.748 -2.281 1.916 658 HB2 TYR 84 2HB TYR 84 -4.204 -3.995 0.225 659 HB3 TYR 84 1HB TYR 84 -5.799 -3.866 -0.364 660 HD1 TYR 84 1HD TYR 84 -6.497 -2.522 -1.815 661 HD2 TYR 84 2HD TYR 84 -2.548 -1.730 -0.355 662 HE1 TYR 84 1HE TYR 84 -6.118 -0.865 -3.621 663 HE2 TYR 84 2HE TYR 84 -2.233 -0.181 -2.030 664 HH TYR 84 HH TYR 84 -3.006 0.381 -4.240 665 H LEU 85 H LEU 85 -7.623 -3.019 0.050 666 HA LEU 85 HA LEU 85 -8.193 -0.266 -0.164 667 HB2 LEU 85 1HB LEU 85 -10.174 -0.781 -1.352 668 HB3 LEU 85 2HB LEU 85 -8.514 -1.005 -2.097 669 HG LEU 85 HG LEU 85 -10.344 -2.541 -2.942 670 HD11 LEU 85 1HD1 LEU 85 -8.531 -3.818 -1.052 671 HD12 LEU 85 2HD1 LEU 85 -8.152 -3.437 -2.742 672 HD13 LEU 85 3HD1 LEU 85 -9.397 -4.668 -2.337 673 HD21 LEU 85 1HD2 LEU 85 -10.585 -3.233 -0.075 674 HD22 LEU 85 2HD2 LEU 85 -11.467 -4.028 -1.390 675 HD23 LEU 85 3HD2 LEU 85 -11.773 -2.315 -0.988 676 H TYR 86 H TYR 86 -8.800 -1.674 2.220 677 HA TYR 86 HA TYR 86 -11.465 -1.548 2.815 678 HB2 TYR 86 2HB TYR 86 -9.030 -1.400 3.827 679 HB3 TYR 86 1HB TYR 86 -10.089 -0.849 5.073 680 HD1 TYR 86 1HD TYR 86 -9.841 -2.917 6.677 681 HD2 TYR 86 2HD TYR 86 -10.486 -3.415 2.516 682 HE1 TYR 86 1HE TYR 86 -10.314 -5.256 7.034 683 HE2 TYR 86 2HE TYR 86 -10.962 -5.543 2.769 684 HH TYR 86 HH TYR 86 -10.431 -7.469 4.481 685 H GLY 87 H GLY 87 -9.040 0.619 2.218 686 HA2 GLY 87 1HA GLY 87 -10.554 2.847 1.840 687 HA3 GLY 87 2HA GLY 87 -9.632 3.236 3.278 688 H VAL 88 H VAL 88 -9.733 2.144 -0.011 689 HA VAL 88 HA VAL 88 -7.434 3.794 -0.463 690 HB VAL 88 HB VAL 88 -7.847 1.106 -1.762 691 HG11 VAL 88 1HG1 VAL 88 -5.664 3.184 -2.182 692 HG12 VAL 88 2HG1 VAL 88 -6.934 2.785 -3.338 693 HG13 VAL 88 3HG1 VAL 88 -5.707 1.585 -2.930 694 HG21 VAL 88 1HG2 VAL 88 -5.888 0.449 -0.641 695 HG22 VAL 88 2HG2 VAL 88 -7.046 1.217 0.485 696 HG23 VAL 88 3HG2 VAL 88 -5.640 2.132 -0.069 697 H LYS 89 H LYS 89 -8.416 5.231 -2.063 698 HA LYS 89 HA LYS 89 -9.176 4.282 -4.494 699 HB2 LYS 89 1HB LYS 89 -11.343 3.774 -3.482 700 HB3 LYS 89 2HB LYS 89 -11.592 5.366 -2.865 701 HG2 LYS 89 1HG LYS 89 -12.786 5.660 -4.760 702 HG3 LYS 89 2HG LYS 89 -11.231 5.787 -5.569 703 HD2 LYS 89 1HD LYS 89 -12.943 3.298 -5.297 704 HD3 LYS 89 2HD LYS 89 -12.684 4.229 -6.757 705 HE2 LYS 89 1HE LYS 89 -11.318 2.340 -7.037 706 HE3 LYS 89 2HE LYS 89 -10.194 3.576 -6.487 707 HZ1 LYS 89 1HZ LYS 89 -10.179 2.589 -4.285 708 HZ2 LYS 89 2HZ LYS 89 -9.960 1.320 -5.360 709 HZ3 LYS 89 3HZ LYS 89 -11.465 1.616 -4.657 710 HA PRO 90 HA PRO 90 -8.053 8.915 -4.246 711 HB2 PRO 90 2HB PRO 90 -9.089 9.785 -1.739 712 HB3 PRO 90 1HB PRO 90 -9.384 10.597 -3.318 713 HG2 PRO 90 2HG PRO 90 -11.364 9.518 -1.990 714 HG3 PRO 90 1HG PRO 90 -11.220 9.192 -3.734 715 HD2 PRO 90 2HD PRO 90 -10.377 7.447 -1.452 716 HD3 PRO 90 1HD PRO 90 -11.356 7.120 -2.917 717 H GLY 91 H GLY 91 -7.521 10.311 -1.640 718 HA2 GLY 91 1HA GLY 91 -5.370 9.079 -1.174 719 HA3 GLY 91 2HA GLY 91 -5.599 10.582 -0.306 720 H ALA 92 H ALA 92 -7.166 8.051 -0.505 721 HA ALA 92 HA ALA 92 -7.844 7.033 2.083 722 HB1 ALA 92 1HB ALA 92 -9.046 6.641 0.110 723 HB2 ALA 92 2HB ALA 92 -8.520 5.010 0.765 724 HB3 ALA 92 3HB ALA 92 -7.660 5.826 -0.544 725 H THR 93 H THR 93 -5.555 6.250 -0.110 726 HA THR 93 HA THR 93 -4.034 4.276 0.759 727 HB THR 93 HB THR 93 -3.338 5.462 -1.072 728 HG1 THR 93 1HG THR 93 -1.198 6.371 -0.422 729 HG21 THR 93 1HG2 THR 93 -3.546 7.921 0.550 730 HG22 THR 93 2HG2 THR 93 -4.438 7.386 -0.851 731 HG23 THR 93 3HG2 THR 93 -2.722 7.847 -0.988 732 H ARG 94 H ARG 94 -4.175 7.526 2.074 733 HA ARG 94 HA ARG 94 -3.200 8.645 3.707 734 HB2 ARG 94 1HB ARG 94 -3.414 5.966 4.945 735 HB3 ARG 94 2HB ARG 94 -2.468 7.337 5.601 736 HG2 ARG 94 1HG ARG 94 -4.612 7.363 6.741 737 HG3 ARG 94 2HG ARG 94 -4.697 8.626 5.519 738 HD2 ARG 94 1HD ARG 94 -6.044 7.081 4.044 739 HD3 ARG 94 2HD ARG 94 -5.762 5.839 5.239 740 HE ARG 94 HE ARG 94 -6.936 7.882 6.624 741 HH11 ARG 94 1HH1 ARG 94 -7.737 5.738 3.966 742 HH12 ARG 94 2HH1 ARG 94 -9.420 5.722 4.259 743 HH21 ARG 94 1HH2 ARG 94 -9.071 7.858 7.134 744 HH22 ARG 94 2HH2 ARG 94 -10.262 7.045 6.188 745 H VAL 95 H VAL 95 -1.401 6.744 1.752 746 HA VAL 95 HA VAL 95 0.927 7.636 3.027 747 HB VAL 95 HB VAL 95 1.938 5.721 3.444 748 HG11 VAL 95 1HG1 VAL 95 0.043 5.589 4.541 749 HG12 VAL 95 2HG1 VAL 95 0.436 3.914 4.091 750 HG13 VAL 95 3HG1 VAL 95 -0.830 4.892 3.188 751 HG21 VAL 95 1HG2 VAL 95 2.359 5.189 1.390 752 HG22 VAL 95 2HG2 VAL 95 0.710 4.686 0.946 753 HG23 VAL 95 3HG2 VAL 95 1.728 3.666 2.035 754 H ASP 96 H ASP 96 2.349 7.873 2.006 755 HA ASP 96 HA ASP 96 3.517 7.011 -0.560 756 HB2 ASP 96 1HB ASP 96 3.870 9.663 0.963 757 HB3 ASP 96 2HB ASP 96 4.801 9.140 -0.433 758 H LEU 97 H LEU 97 5.824 6.732 0.267 759 HA LEU 97 HA LEU 97 5.371 5.564 2.480 760 HB2 LEU 97 1HB LEU 97 8.030 5.539 1.216 761 HB3 LEU 97 2HB LEU 97 7.133 4.530 2.227 762 HG LEU 97 HG LEU 97 5.411 5.051 0.139 763 HD11 LEU 97 1HD1 LEU 97 7.591 5.620 -1.022 764 HD12 LEU 97 2HD1 LEU 97 6.701 4.233 -1.656 765 HD13 LEU 97 3HD1 LEU 97 8.085 3.974 -0.611 766 HD21 LEU 97 1HD2 LEU 97 7.279 3.320 0.911 767 HD22 LEU 97 2HD2 LEU 97 5.795 2.868 -0.110 768 HD23 LEU 97 3HD2 LEU 97 5.622 3.277 1.669 769 H ASP 98 H ASP 98 5.543 8.584 2.632 770 HA ASP 98 HA ASP 98 7.093 8.949 4.984 771 HB2 ASP 98 1HB ASP 98 5.516 10.612 3.063 772 HB3 ASP 98 2HB ASP 98 6.136 11.319 4.524 773 H GLY 99 H GLY 99 4.122 8.210 3.638 774 HA2 GLY 99 1HA GLY 99 2.300 7.406 4.494 775 HA3 GLY 99 2HA GLY 99 2.592 7.814 6.038 776 H ASN 100 H ASN 100 2.201 9.750 2.973 777 HA ASN 100 HA ASN 100 0.264 11.730 3.958 778 HB2 ASN 100 1HB ASN 100 2.359 11.239 1.930 779 HB3 ASN 100 2HB ASN 100 1.189 12.351 1.464 780 HD21 ASN 100 1HD2 ASN 100 3.936 13.989 2.677 781 HD22 ASN 100 2HD2 ASN 100 3.704 12.730 1.516 782 HA PRO 101 HA PRO 101 -2.613 9.079 1.925 783 HB2 PRO 101 2HB PRO 101 -4.153 11.513 1.239 784 HB3 PRO 101 1HB PRO 101 -4.463 10.197 2.298 785 HG2 PRO 101 2HG PRO 101 -3.782 12.572 3.379 786 HG3 PRO 101 1HG PRO 101 -2.977 11.099 4.041 787 HD2 PRO 101 2HD PRO 101 -2.274 12.574 1.722 788 HD3 PRO 101 1HD PRO 101 -1.193 12.815 2.968 789 H CYS 102 H CYS 102 -0.812 9.000 0.289 790 HA CYS 102 HA CYS 102 0.306 9.559 -1.580 791 HB2 CYS 102 2HB CYS 102 -0.810 8.368 -3.031 792 HB3 CYS 102 1HB CYS 102 -2.395 8.686 -2.584 793 HG CYS 102 HG CYS 102 -2.914 10.067 -4.574 794 H GLY 103 H GLY 103 -1.064 11.473 0.037 795 HA2 GLY 103 1HA GLY 103 -0.754 13.749 0.660 796 HA3 GLY 103 2HA GLY 103 0.177 13.897 -0.813 797 H GLU 104 H GLU 104 -2.476 12.468 -1.224 798 HA GLU 104 HA GLU 104 -3.659 14.411 -2.921 799 HB2 GLU 104 1HB GLU 104 -3.786 12.427 -4.060 800 HB3 GLU 104 2HB GLU 104 -3.405 11.626 -2.531 801 HG2 GLU 104 1HG GLU 104 -5.344 11.232 -1.926 802 HG3 GLU 104 2HG GLU 104 -6.171 12.395 -3.026 803 H LEU 105 H LEU 105 -4.636 12.613 0.115 804 HA LEU 105 HA LEU 105 -6.872 14.498 0.234 805 HB2 LEU 105 1HB LEU 105 -7.347 12.016 -0.826 806 HB3 LEU 105 2HB LEU 105 -7.224 11.666 0.769 807 HG LEU 105 HG LEU 105 -9.066 13.928 0.286 808 HD11 LEU 105 1HD1 LEU 105 -10.108 12.713 -1.342 809 HD12 LEU 105 2HD1 LEU 105 -10.688 11.750 0.135 810 HD13 LEU 105 3HD1 LEU 105 -9.219 11.305 -0.771 811 HD21 LEU 105 1HD2 LEU 105 -8.191 12.324 2.120 812 HD22 LEU 105 2HD2 LEU 105 -9.913 11.740 1.863 813 HD23 LEU 105 3HD2 LEU 105 -9.493 13.436 2.217 814 H ASP 106 H ASP 106 -7.887 14.485 2.135 815 HA ASP 106 HA ASP 106 -6.587 14.575 4.724 816 HB2 ASP 106 1HB ASP 106 -8.339 16.235 4.082 817 HB3 ASP 106 2HB ASP 106 -9.198 15.012 3.256 818 H GLU 107 H GLU 107 -8.818 13.327 5.900 819 HA GLU 107 HA GLU 107 -9.037 10.654 4.668 820 HB2 GLU 107 1HB GLU 107 -8.293 9.525 6.483 821 HB3 GLU 107 2HB GLU 107 -7.637 11.163 6.787 822 HG2 GLU 107 1HG GLU 107 -9.141 11.719 8.317 823 HG3 GLU 107 2HG GLU 107 -10.327 10.674 7.669 824 H GLN 108 H GLN 108 -10.723 13.188 5.513 825 HA GLN 108 HA GLN 108 -13.194 11.705 6.050 826 HB2 GLN 108 1HB GLN 108 -12.321 13.767 7.431 827 HB3 GLN 108 2HB GLN 108 -12.793 14.587 5.935 828 HG2 GLN 108 1HG GLN 108 -14.998 13.899 6.099 829 HG3 GLN 108 2HG GLN 108 -14.535 12.700 7.321 830 HE21 GLN 108 1HE2 GLN 108 -14.012 15.721 9.586 831 HE22 GLN 108 2HE2 GLN 108 -12.908 14.634 8.819 832 H HIS 109 H HIS 109 -11.236 12.351 3.694 833 HA HIS 109 HA HIS 109 -13.674 12.118 2.192 834 HB2 HIS 109 1HB HIS 109 -11.132 13.081 1.541 835 HB3 HIS 109 2HB HIS 109 -12.445 13.259 0.307 836 HD1 HIS 109 HD1 HIS 109 -14.429 14.614 2.626 837 HD2 HIS 109 HD2 HIS 109 -10.585 15.900 1.699 838 HE1 HIS 109 HE1 HIS 109 -14.292 16.962 3.454 839 HE2 HIS 109 HE2 HIS 109 -11.837 17.386 3.372 840 H VAL 110 H VAL 110 -10.863 10.881 2.958 841 HA VAL 110 HA VAL 110 -11.469 9.121 1.006 842 HB VAL 110 HB VAL 110 -9.503 7.684 1.842 843 HG11 VAL 110 1HG1 VAL 110 -8.199 9.355 0.381 844 HG12 VAL 110 2HG1 VAL 110 -9.522 10.433 0.855 845 HG13 VAL 110 3HG1 VAL 110 -9.887 8.987 -0.107 846 HG21 VAL 110 1HG2 VAL 110 -9.072 10.382 2.892 847 HG22 VAL 110 2HG2 VAL 110 -7.828 9.100 2.882 848 HG23 VAL 110 3HG2 VAL 110 -9.286 8.947 3.920 849 H GLU 111 H GLU 111 -12.384 9.824 3.349 850 HA GLU 111 HA GLU 111 -13.268 7.878 5.182 851 HB2 GLU 111 1HB GLU 111 -13.359 10.105 5.485 852 HB3 GLU 111 2HB GLU 111 -14.225 10.692 4.422 853 HG2 GLU 111 1HG GLU 111 -15.311 8.437 5.802 854 HG3 GLU 111 2HG GLU 111 -15.436 10.015 6.665 855 H HIS 112 H HIS 112 -14.297 9.015 2.111 856 HA HIS 112 HA HIS 112 -16.386 7.085 1.941 857 HB2 HIS 112 1HB HIS 112 -15.021 8.798 0.132 858 HB3 HIS 112 2HB HIS 112 -16.554 8.030 -0.403 859 HD1 HIS 112 HD1 HIS 112 -18.795 9.002 0.891 860 HD2 HIS 112 HD2 HIS 112 -15.290 11.047 1.680 861 HE1 HIS 112 HE1 HIS 112 -19.503 11.055 2.117 862 HE2 HIS 112 HE2 HIS 112 -17.320 11.623 3.121 863 H ALA 113 H ALA 113 -13.205 7.034 1.474 864 HA ALA 113 HA ALA 113 -13.276 4.983 -0.356 865 HB1 ALA 113 1HB ALA 113 -11.064 5.501 1.283 866 HB2 ALA 113 2HB ALA 113 -11.774 6.896 0.384 867 HB3 ALA 113 3HB ALA 113 -11.115 5.453 -0.529 868 H ARG 114 H ARG 114 -13.096 5.683 2.878 869 HA ARG 114 HA ARG 114 -12.118 3.375 3.849 870 HB2 ARG 114 1HB ARG 114 -12.314 5.751 4.892 871 HB3 ARG 114 2HB ARG 114 -13.926 5.277 5.310 872 HG2 ARG 114 1HG ARG 114 -13.035 3.476 6.734 873 HG3 ARG 114 2HG ARG 114 -11.397 4.041 6.366 874 HD2 ARG 114 1HD ARG 114 -12.497 6.382 7.059 875 HD3 ARG 114 2HD ARG 114 -13.511 5.317 8.021 876 HE ARG 114 HE ARG 114 -11.154 4.446 8.748 877 HH11 ARG 114 1HH1 ARG 114 -12.351 7.833 8.483 878 HH12 ARG 114 2HH1 ARG 114 -11.055 8.442 9.432 879 HH21 ARG 114 1HH2 ARG 114 -9.388 5.509 10.146 880 HH22 ARG 114 2HH2 ARG 114 -9.475 7.210 10.287 881 H LYS 115 H LYS 115 -15.146 4.363 2.348 882 HA LYS 115 HA LYS 115 -16.751 2.508 3.770 883 HB2 LYS 115 1HB LYS 115 -18.351 4.282 3.866 884 HB3 LYS 115 2HB LYS 115 -16.823 5.179 3.714 885 HG2 LYS 115 1HG LYS 115 -18.057 6.240 2.244 886 HG3 LYS 115 2HG LYS 115 -17.108 5.086 1.289 887 HD2 LYS 115 1HD LYS 115 -19.184 3.584 1.493 888 HD3 LYS 115 2HD LYS 115 -20.035 5.081 1.916 889 HE2 LYS 115 1HE LYS 115 -19.180 6.127 -0.071 890 HE3 LYS 115 2HE LYS 115 -18.298 4.610 -0.390 891 HZ1 LYS 115 1HZ LYS 115 -20.388 4.630 -1.744 892 HZ2 LYS 115 2HZ LYS 115 -21.324 4.921 -0.365 893 HZ3 LYS 115 3HZ LYS 115 -20.512 3.498 -0.556 894 H GLN 116 H GLN 116 -15.136 3.527 0.804 895 HA GLN 116 HA GLN 116 -16.910 2.236 -0.529 896 HB2 GLN 116 1HB GLN 116 -15.345 2.101 -2.544 897 HB3 GLN 116 2HB GLN 116 -15.605 3.684 -1.829 898 HG2 GLN 116 1HG GLN 116 -13.402 3.751 -2.034 899 HG3 GLN 116 2HG GLN 116 -13.602 3.002 -0.424 900 HE21 GLN 116 1HE2 GLN 116 -12.241 -0.114 -1.484 901 HE22 GLN 116 2HE2 GLN 116 -13.238 0.645 -0.333 902 H LEU 117 H LEU 117 -14.742 0.785 1.496 903 HA LEU 117 HA LEU 117 -15.031 -1.841 0.430 904 HB2 LEU 117 1HB LEU 117 -13.215 -1.686 1.329 905 HB3 LEU 117 2HB LEU 117 -13.098 -0.829 2.674 906 HG LEU 117 HG LEU 117 -15.015 -2.863 2.747 907 HD11 LEU 117 1HD1 LEU 117 -12.239 -3.153 2.097 908 HD12 LEU 117 2HD1 LEU 117 -13.617 -3.692 1.073 909 HD13 LEU 117 3HD1 LEU 117 -13.090 -4.680 2.457 910 HD21 LEU 117 1HD2 LEU 117 -14.229 -1.933 4.820 911 HD22 LEU 117 2HD2 LEU 117 -12.555 -2.328 4.424 912 HD23 LEU 117 3HD2 LEU 117 -13.708 -3.614 4.765 913 H GLU 118 H GLU 118 -17.108 0.335 2.112 914 HA GLU 118 HA GLU 118 -18.522 -1.863 2.975 915 HB2 GLU 118 1HB GLU 118 -18.902 1.094 3.302 916 HB3 GLU 118 2HB GLU 118 -20.346 0.108 3.381 917 HG2 GLU 118 1HG GLU 118 -17.940 -0.208 5.168 918 HG3 GLU 118 2HG GLU 118 -19.398 0.688 5.584 919 H GLU 119 H GLU 119 -17.876 -0.621 0.313 920 HA GLU 119 HA GLU 119 -20.420 -0.750 -0.916 921 HB2 GLU 119 1HB GLU 119 -17.697 -0.503 -2.044 922 HB3 GLU 119 2HB GLU 119 -19.148 -0.355 -3.084 923 HG2 GLU 119 1HG GLU 119 -18.498 1.141 -0.707 924 HG3 GLU 119 2HG GLU 119 -17.969 1.774 -2.300 925 H ALA 120 H ALA 120 -17.314 -2.145 -0.664 926 HA ALA 120 HA ALA 120 -17.581 -4.430 -2.243 927 HB1 ALA 120 1HB ALA 120 -15.577 -3.063 -1.632 928 HB2 ALA 120 2HB ALA 120 -15.470 -4.817 -1.717 929 HB3 ALA 120 3HB ALA 120 -15.597 -3.998 -0.121 930 H LYS 121 H LYS 121 -17.390 -4.081 1.076 931 HA LYS 121 HA LYS 121 -17.970 -6.601 1.954 932 HB2 LYS 121 1HB LYS 121 -17.892 -3.920 2.774 933 HB3 LYS 121 2HB LYS 121 -18.982 -4.949 3.805 934 HG2 LYS 121 1HG LYS 121 -17.207 -6.305 3.907 935 HG3 LYS 121 2HG LYS 121 -16.264 -5.300 2.851 936 HD2 LYS 121 1HD LYS 121 -15.811 -4.873 5.438 937 HD3 LYS 121 2HD LYS 121 -15.954 -3.776 4.033 938 HE2 LYS 121 1HE LYS 121 -17.067 -2.734 5.915 939 HE3 LYS 121 2HE LYS 121 -18.063 -3.182 4.524 940 HZ1 LYS 121 1HZ LYS 121 -18.094 -4.738 7.065 941 HZ2 LYS 121 2HZ LYS 121 -19.196 -4.780 5.717 942 HZ3 LYS 121 3HZ LYS 121 -19.054 -3.412 6.637 943 H ALA 122 H ALA 122 -20.019 -4.128 1.663 944 HA ALA 122 HA ALA 122 -22.256 -5.407 2.152 945 HB1 ALA 122 1HB ALA 122 -23.338 -3.525 1.373 946 HB2 ALA 122 2HB ALA 122 -21.879 -3.226 0.353 947 HB3 ALA 122 3HB ALA 122 -21.730 -3.176 2.132 948 H ARG 123 H ARG 123 -20.281 -5.652 -0.717 949 HA ARG 123 HA ARG 123 -22.421 -6.242 -2.357 950 HB2 ARG 123 1HB ARG 123 -20.935 -5.729 -4.061 951 HB3 ARG 123 2HB ARG 123 -19.896 -5.330 -2.661 952 HG2 ARG 123 1HG ARG 123 -19.110 -7.624 -2.644 953 HG3 ARG 123 2HG ARG 123 -19.878 -7.916 -4.217 954 HD2 ARG 123 1HD ARG 123 -18.483 -6.004 -5.093 955 HD3 ARG 123 2HD ARG 123 -17.829 -5.988 -3.427 956 HE ARG 123 HE ARG 123 -17.192 -8.429 -3.980 957 HH11 ARG 123 1HH1 ARG 123 -16.927 -5.780 -6.300 958 HH12 ARG 123 2HH1 ARG 123 -15.631 -6.489 -7.164 959 HH21 ARG 123 1HH2 ARG 123 -15.516 -9.346 -5.041 960 HH22 ARG 123 2HH2 ARG 123 -14.757 -8.672 -6.421 961 H VAL 124 H VAL 124 -20.296 -7.411 -0.368 962 HA VAL 124 HA VAL 124 -19.741 -9.957 -1.543 963 HB VAL 124 HB VAL 124 -18.887 -8.719 0.977 964 HG11 VAL 124 1HG1 VAL 124 -18.919 -11.021 1.278 965 HG12 VAL 124 2HG1 VAL 124 -17.201 -10.521 1.060 966 HG13 VAL 124 3HG1 VAL 124 -18.136 -11.277 -0.288 967 HG21 VAL 124 1HG2 VAL 124 -18.058 -7.699 -0.812 968 HG22 VAL 124 2HG2 VAL 124 -17.490 -9.201 -1.593 969 HG23 VAL 124 3HG2 VAL 124 -16.713 -8.592 -0.093 970 H GLN 125 H GLN 125 -20.668 -8.671 1.152 971 HA GLN 125 HA GLN 125 -21.714 -9.142 3.009 972 HB2 GLN 125 1HB GLN 125 -22.200 -8.292 1.087 973 HB3 GLN 125 2HB GLN 125 -22.836 -7.629 2.029 974 HG2 GLN 125 1HG GLN 125 -24.176 -7.946 -0.042 975 HG3 GLN 125 2HG GLN 125 -23.319 -9.503 -0.164 976 HE21 GLN 125 1HE2 GLN 125 -26.645 -9.857 2.138 977 HE22 GLN 125 2HE2 GLN 125 -25.355 -8.783 2.567 978 H ALA 126 H ALA 126 -23.111 -11.323 0.628 979 HA ALA 126 HA ALA 126 -24.566 -12.820 2.253 980 HB1 ALA 126 1HB ALA 126 -25.242 -13.717 0.426 981 HB2 ALA 126 2HB ALA 126 -23.628 -13.687 -0.360 982 HB3 ALA 126 3HB ALA 126 -24.545 -12.163 -0.133 983 H GLN 127 H GLN 127 -21.673 -14.003 0.105 984 HA GLN 127 HA GLN 127 -20.832 -15.606 2.124 985 HB2 GLN 127 1HB GLN 127 -21.663 -15.545 -0.564 986 HB3 GLN 127 2HB GLN 127 -20.144 -16.293 -0.340 987 HG2 GLN 127 1HG GLN 127 -22.862 -16.827 0.784 988 HG3 GLN 127 2HG GLN 127 -21.978 -17.976 -0.239 989 HE21 GLN 127 1HE2 GLN 127 -21.492 -17.933 3.790 990 HE22 GLN 127 2HE2 GLN 127 -22.437 -16.733 2.981 991 H ARG 128 H ARG 128 -18.760 -15.142 2.592 992 HA ARG 128 HA ARG 128 -17.463 -13.156 1.538 993 HB2 ARG 128 1HB ARG 128 -16.398 -15.413 3.135 994 HB3 ARG 128 2HB ARG 128 -15.393 -14.230 2.263 995 HG2 ARG 128 1HG ARG 128 -17.544 -13.260 4.029 996 HG3 ARG 128 2HG ARG 128 -15.952 -13.666 4.766 997 HD2 ARG 128 1HD ARG 128 -16.714 -11.826 2.589 998 HD3 ARG 128 2HD ARG 128 -16.288 -11.298 4.209 999 HE ARG 128 HE ARG 128 -13.999 -12.095 3.744 1000 HH11 ARG 128 1HH1 ARG 128 -15.965 -11.659 0.812 1001 HH12 ARG 128 2HH1 ARG 128 -14.781 -11.033 -0.163 1002 HH21 ARG 128 1HH2 ARG 128 -12.217 -11.164 2.381 1003 HH22 ARG 128 2HH2 ARG 128 -12.565 -10.698 0.789 1004 H ALA 129 H ALA 129 -17.509 -16.385 0.508 1005 HA ALA 129 HA ALA 129 -15.446 -16.496 -1.149 1006 HB1 ALA 129 1HB ALA 129 -16.664 -18.186 -2.366 1007 HB2 ALA 129 2HB ALA 129 -18.082 -17.848 -1.301 1008 HB3 ALA 129 3HB ALA 129 -16.485 -18.332 -0.629 1009 H GLU 130 H GLU 130 -15.024 -15.346 -2.885 1010 HA GLU 130 HA GLU 130 -16.366 -14.750 -5.046 1011 HB2 GLU 130 1HB GLU 130 -16.876 -12.228 -4.813 1012 HB3 GLU 130 2HB GLU 130 -17.990 -13.312 -4.010 1013 HG2 GLU 130 1HG GLU 130 -17.726 -11.783 -2.316 1014 HG3 GLU 130 2HG GLU 130 -16.355 -12.862 -2.006 1015 H GLN 131 H GLN 131 -14.205 -13.548 -2.701 1016 HA GLN 131 HA GLN 131 -12.126 -13.439 -4.816 1017 HB2 GLN 131 1HB GLN 131 -10.858 -11.846 -3.421 1018 HB3 GLN 131 2HB GLN 131 -12.453 -11.212 -3.791 1019 HG2 GLN 131 1HG GLN 131 -13.214 -11.924 -1.561 1020 HG3 GLN 131 2HG GLN 131 -11.574 -12.460 -1.201 1021 HE21 GLN 131 1HE2 GLN 131 -12.572 -8.545 -1.125 1022 HE22 GLN 131 2HE2 GLN 131 -13.640 -9.794 -1.717 1023 H GLN 132 H GLN 132 -13.157 -15.677 -3.313 1024 HA GLN 132 HA GLN 132 -10.930 -16.317 -1.616 1025 HB2 GLN 132 1HB GLN 132 -13.731 -17.355 -1.570 1026 HB3 GLN 132 2HB GLN 132 -12.444 -17.960 -0.520 1027 HG2 GLN 132 1HG GLN 132 -13.323 -15.181 -0.752 1028 HG3 GLN 132 2HG GLN 132 -13.962 -16.243 0.524 1029 HE21 GLN 132 1HE2 GLN 132 -11.029 -14.116 1.635 1030 HE22 GLN 132 2HE2 GLN 132 -12.516 -13.735 0.802 1031 H ALA 133 H ALA 133 -13.475 -17.728 -3.484 1032 HA ALA 133 HA ALA 133 -12.012 -19.150 -5.338 1033 HB1 ALA 133 1HB ALA 133 -13.087 -21.312 -4.653 1034 HB2 ALA 133 2HB ALA 133 -13.516 -20.570 -3.103 1035 HB3 ALA 133 3HB ALA 133 -11.817 -20.790 -3.547 Start of MODEL 17 1 H1 MET 1 1H MET 1 27.054 18.768 7.527 2 H2 MET 1 2H MET 1 26.427 19.246 9.053 3 H3 MET 1 3H MET 1 25.377 18.759 7.857 4 HA MET 1 HA MET 1 26.172 16.524 8.004 5 HB2 MET 1 1HB MET 1 28.519 17.166 8.643 6 HB3 MET 1 2HB MET 1 27.925 17.676 10.212 7 HG2 MET 1 1HG MET 1 27.291 15.376 10.728 8 HG3 MET 1 2HG MET 1 27.850 14.860 9.137 9 HE1 MET 1 1HE MET 1 28.840 13.519 11.869 10 HE2 MET 1 2HE MET 1 30.566 13.363 11.537 11 HE3 MET 1 3HE MET 1 29.390 13.009 10.272 12 H GLY 2 H GLY 2 25.146 15.130 9.740 13 HA2 GLY 2 1HA GLY 2 24.253 15.732 12.124 14 HA3 GLY 2 2HA GLY 2 23.143 16.663 11.115 15 H SER 3 H SER 3 21.330 15.509 11.359 16 HA SER 3 HA SER 3 19.771 13.975 10.927 17 HB2 SER 3 1HB SER 3 20.735 13.755 8.652 18 HB3 SER 3 2HB SER 3 21.901 12.584 9.249 19 HG SER 3 HG SER 3 19.265 12.290 8.556 20 H SER 4 H SER 4 19.434 13.310 12.967 21 HA SER 4 HA SER 4 21.118 11.512 14.345 22 HB2 SER 4 1HB SER 4 19.577 13.036 15.539 23 HB3 SER 4 2HB SER 4 18.199 12.177 14.851 24 HG SER 4 HG SER 4 19.281 11.656 17.080 25 H HIS 5 H HIS 5 21.241 9.399 14.213 26 HA HIS 5 HA HIS 5 19.161 7.994 12.681 27 HB2 HIS 5 1HB HIS 5 22.108 7.291 12.896 28 HB3 HIS 5 2HB HIS 5 20.909 6.364 12.002 29 HD1 HIS 5 HD1 HIS 5 23.533 8.516 11.247 30 HD2 HIS 5 HD2 HIS 5 19.527 8.506 10.139 31 HE1 HIS 5 HE1 HIS 5 23.402 9.928 9.189 32 HE2 HIS 5 HE2 HIS 5 20.931 10.283 8.961 33 H HIS 6 H HIS 6 19.828 8.554 15.670 34 HA HIS 6 HA HIS 6 19.998 5.835 16.682 35 HB2 HIS 6 1HB HIS 6 21.240 7.704 17.815 36 HB3 HIS 6 2HB HIS 6 19.702 8.448 18.215 37 HD1 HIS 6 HD1 HIS 6 18.360 7.400 20.177 38 HD2 HIS 6 HD2 HIS 6 21.974 5.493 19.412 39 HE1 HIS 6 HE1 HIS 6 18.808 5.972 22.203 40 HE2 HIS 6 HE2 HIS 6 21.079 4.967 21.784 41 H HIS 7 H HIS 7 17.922 5.554 15.357 42 HA HIS 7 HA HIS 7 15.784 5.108 17.113 43 HB2 HIS 7 1HB HIS 7 14.037 6.560 16.014 44 HB3 HIS 7 2HB HIS 7 15.218 7.467 16.942 45 HD1 HIS 7 HD1 HIS 7 14.048 6.873 13.412 46 HD2 HIS 7 HD2 HIS 7 16.796 9.223 15.456 47 HE1 HIS 7 HE1 HIS 7 14.840 8.580 11.754 48 HE2 HIS 7 HE2 HIS 7 16.751 9.722 12.951 49 H HIS 8 H HIS 8 14.291 3.704 16.261 50 HA HIS 8 HA HIS 8 13.947 3.132 13.558 51 HB2 HIS 8 1HB HIS 8 14.921 0.812 13.526 52 HB3 HIS 8 2HB HIS 8 16.178 2.017 13.703 53 HD1 HIS 8 HD1 HIS 8 14.998 -1.177 15.174 54 HD2 HIS 8 HD2 HIS 8 17.151 2.144 16.528 55 HE1 HIS 8 HE1 HIS 8 16.245 -1.955 17.139 56 HE2 HIS 8 HE2 HIS 8 17.397 0.062 18.063 57 H HIS 9 H HIS 9 12.959 0.496 13.911 58 HA HIS 9 HA HIS 9 10.627 0.956 15.529 59 HB2 HIS 9 1HB HIS 9 11.768 -1.672 14.510 60 HB3 HIS 9 2HB HIS 9 10.193 -1.481 15.230 61 HD1 HIS 9 HD1 HIS 9 8.611 -2.004 13.427 62 HD2 HIS 9 HD2 HIS 9 11.781 0.268 12.008 63 HE1 HIS 9 HE1 HIS 9 8.158 -1.687 10.997 64 HE2 HIS 9 HE2 HIS 9 10.378 -0.942 10.207 65 H HIS 10 H HIS 10 10.177 -0.929 17.300 66 HA HIS 10 HA HIS 10 12.376 -0.860 19.163 67 HB2 HIS 10 1HB HIS 10 9.992 -0.910 19.969 68 HB3 HIS 10 2HB HIS 10 9.841 -2.543 19.326 69 HD1 HIS 10 HD1 HIS 10 10.639 -4.453 20.823 70 HD2 HIS 10 HD2 HIS 10 11.835 -0.712 22.206 71 HE1 HIS 10 HE1 HIS 10 11.617 -4.857 23.091 72 HE2 HIS 10 HE2 HIS 10 12.550 -2.628 23.786 73 H SER 11 H SER 11 11.299 -2.826 16.613 74 HA SER 11 HA SER 11 12.995 -5.123 17.169 75 HB2 SER 11 1HB SER 11 11.832 -5.719 15.067 76 HB3 SER 11 2HB SER 11 10.821 -5.678 16.514 77 HG SER 11 HG SER 11 10.507 -4.225 14.246 78 H GLN 12 H GLN 12 13.790 -5.908 14.952 79 HA GLN 12 HA GLN 12 15.652 -3.876 13.945 80 HB2 GLN 12 1HB GLN 12 16.289 -6.755 14.449 81 HB3 GLN 12 2HB GLN 12 17.361 -5.362 14.305 82 HG2 GLN 12 1HG GLN 12 16.865 -4.615 16.473 83 HG3 GLN 12 2HG GLN 12 15.453 -5.666 16.615 84 HE21 GLN 12 1HE2 GLN 12 17.311 -8.525 17.440 85 HE22 GLN 12 2HE2 GLN 12 15.857 -7.932 16.712 86 H ASP 13 H ASP 13 13.223 -4.659 12.952 87 HA ASP 13 HA ASP 13 12.306 -6.618 11.779 88 HB2 ASP 13 1HB ASP 13 12.465 -4.308 10.101 89 HB3 ASP 13 2HB ASP 13 11.163 -5.314 10.520 90 HA PRO 14 HA PRO 14 14.801 -6.374 7.489 91 HB2 PRO 14 2HB PRO 14 17.350 -5.419 8.743 92 HB3 PRO 14 1HB PRO 14 16.752 -5.176 7.085 93 HG2 PRO 14 2HG PRO 14 16.612 -3.199 8.790 94 HG3 PRO 14 1HG PRO 14 15.255 -3.538 7.694 95 HD2 PRO 14 2HD PRO 14 15.478 -4.085 10.612 96 HD3 PRO 14 1HD PRO 14 14.062 -3.627 9.649 97 H MET 15 H MET 15 16.150 -6.983 10.676 98 HA MET 15 HA MET 15 17.266 -9.364 9.795 99 HB2 MET 15 1HB MET 15 17.690 -7.751 12.302 100 HB3 MET 15 2HB MET 15 18.297 -9.427 12.166 101 HG2 MET 15 1HG MET 15 18.778 -6.996 10.613 102 HG3 MET 15 2HG MET 15 19.761 -7.668 11.907 103 HE1 MET 15 1HE MET 15 21.970 -8.320 8.624 104 HE2 MET 15 2HE MET 15 21.942 -7.568 10.219 105 HE3 MET 15 3HE MET 15 20.920 -6.935 8.927 106 H GLU 16 H GLU 16 14.396 -8.157 11.449 107 HA GLU 16 HA GLU 16 13.965 -10.565 13.045 108 HB2 GLU 16 1HB GLU 16 11.868 -8.582 12.090 109 HB3 GLU 16 2HB GLU 16 11.663 -9.780 13.339 110 HG2 GLU 16 1HG GLU 16 13.439 -7.357 13.503 111 HG3 GLU 16 2HG GLU 16 11.849 -7.544 14.231 112 H ASN 17 H ASN 17 12.847 -9.177 10.076 113 HA ASN 17 HA ASN 17 11.484 -11.599 9.159 114 HB2 ASN 17 1HB ASN 17 10.636 -9.122 8.916 115 HB3 ASN 17 2HB ASN 17 11.965 -9.008 7.876 116 HD21 ASN 17 1HD2 ASN 17 9.818 -9.767 5.247 117 HD22 ASN 17 2HD2 ASN 17 10.732 -8.529 6.053 118 H GLN 18 H GLN 18 14.016 -12.018 9.494 119 HA GLN 18 HA GLN 18 16.079 -11.399 8.003 120 HB2 GLN 18 1HB GLN 18 15.149 -13.475 9.562 121 HB3 GLN 18 2HB GLN 18 15.984 -14.195 8.224 122 HG2 GLN 18 1HG GLN 18 16.943 -12.094 10.158 123 HG3 GLN 18 2HG GLN 18 17.424 -13.785 10.260 124 HE21 GLN 18 1HE2 GLN 18 20.357 -12.725 8.675 125 HE22 GLN 18 2HE2 GLN 18 19.608 -13.312 10.128 126 HA PRO 19 HA PRO 19 15.126 -14.299 4.260 127 HB2 PRO 19 2HB PRO 19 12.220 -14.776 4.594 128 HB3 PRO 19 1HB PRO 19 13.457 -15.936 4.008 129 HG2 PRO 19 2HG PRO 19 12.375 -16.161 6.395 130 HG3 PRO 19 1HG PRO 19 14.111 -16.450 6.156 131 HD2 PRO 19 2HD PRO 19 12.805 -14.056 7.405 132 HD3 PRO 19 1HD PRO 19 14.295 -14.895 7.785 133 H LYS 20 H LYS 20 15.536 -12.530 3.018 134 HA LYS 20 HA LYS 20 13.969 -10.580 2.553 135 HB2 LYS 20 1HB LYS 20 16.207 -11.840 1.149 136 HB3 LYS 20 2HB LYS 20 15.580 -10.236 0.833 137 HG2 LYS 20 1HG LYS 20 16.676 -11.223 3.418 138 HG3 LYS 20 2HG LYS 20 17.525 -10.102 2.341 139 HD2 LYS 20 1HD LYS 20 16.497 -8.411 3.725 140 HD3 LYS 20 2HD LYS 20 15.251 -9.064 2.613 141 HE2 LYS 20 1HE LYS 20 13.920 -9.767 4.118 142 HE3 LYS 20 2HE LYS 20 15.154 -10.647 5.005 143 HZ1 LYS 20 1HZ LYS 20 15.477 -8.424 6.210 144 HZ2 LYS 20 2HZ LYS 20 13.958 -9.089 6.304 145 HZ3 LYS 20 3HZ LYS 20 14.157 -7.760 5.349 146 H LEU 21 H LEU 21 13.875 -9.942 0.045 147 HA LEU 21 HA LEU 21 11.315 -10.336 -0.265 148 HB2 LEU 21 1HB LEU 21 13.491 -9.213 -1.834 149 HB3 LEU 21 2HB LEU 21 11.908 -8.648 -2.074 150 HG LEU 21 HG LEU 21 13.962 -8.048 -0.380 151 HD11 LEU 21 1HD1 LEU 21 13.001 -6.063 -0.312 152 HD12 LEU 21 2HD1 LEU 21 11.482 -6.922 -0.211 153 HD13 LEU 21 3HD1 LEU 21 12.435 -6.909 -1.843 154 HD21 LEU 21 1HD2 LEU 21 11.375 -8.250 0.611 155 HD22 LEU 21 2HD2 LEU 21 12.800 -7.303 1.371 156 HD23 LEU 21 3HD2 LEU 21 12.814 -9.138 1.281 157 H ASN 22 H ASN 22 13.669 -10.839 -2.839 158 HA ASN 22 HA ASN 22 13.914 -12.188 -4.531 159 HB2 ASN 22 1HB ASN 22 12.195 -13.770 -2.812 160 HB3 ASN 22 2HB ASN 22 13.039 -14.576 -4.139 161 HD21 ASN 22 1HD2 ASN 22 14.486 -14.289 -0.756 162 HD22 ASN 22 2HD2 ASN 22 12.839 -13.974 -1.136 163 H SER 23 H SER 23 11.585 -10.435 -4.099 164 HA SER 23 HA SER 23 10.334 -9.411 -5.634 165 HB2 SER 23 1HB SER 23 11.178 -10.516 -7.597 166 HB3 SER 23 2HB SER 23 10.251 -11.981 -7.246 167 HG SER 23 HG SER 23 9.021 -10.985 -8.665 168 H SER 24 H SER 24 8.506 -8.759 -5.500 169 HA SER 24 HA SER 24 6.517 -8.396 -5.083 170 HB2 SER 24 1HB SER 24 5.971 -11.287 -5.671 171 HB3 SER 24 2HB SER 24 4.793 -9.969 -5.707 172 HG SER 24 HG SER 24 7.158 -10.104 -7.246 173 H LYS 25 H LYS 25 5.915 -11.576 -3.401 174 HA LYS 25 HA LYS 25 4.241 -10.448 -1.634 175 HB2 LYS 25 1HB LYS 25 4.204 -12.601 -2.332 176 HB3 LYS 25 2HB LYS 25 5.867 -12.850 -1.954 177 HG2 LYS 25 1HG LYS 25 5.583 -13.268 0.056 178 HG3 LYS 25 2HG LYS 25 4.507 -11.887 0.265 179 HD2 LYS 25 1HD LYS 25 3.340 -13.924 0.813 180 HD3 LYS 25 2HD LYS 25 2.815 -13.142 -0.720 181 HE2 LYS 25 1HE LYS 25 3.098 -15.672 -1.024 182 HE3 LYS 25 2HE LYS 25 4.010 -14.498 -2.015 183 HZ1 LYS 25 1HZ LYS 25 6.014 -14.947 -0.897 184 HZ2 LYS 25 2HZ LYS 25 5.433 -16.480 -1.121 185 HZ3 LYS 25 3HZ LYS 25 5.318 -15.711 0.374 186 H GLU 26 H GLU 26 7.267 -11.905 -1.089 187 HA GLU 26 HA GLU 26 7.155 -10.815 1.374 188 HB2 GLU 26 1HB GLU 26 9.787 -11.789 1.505 189 HB3 GLU 26 2HB GLU 26 8.328 -12.584 2.041 190 HG2 GLU 26 1HG GLU 26 9.472 -12.871 -0.737 191 HG3 GLU 26 2HG GLU 26 9.864 -13.947 0.599 192 H VAL 27 H VAL 27 7.872 -9.110 -1.122 193 HA VAL 27 HA VAL 27 9.826 -7.291 0.216 194 HB VAL 27 HB VAL 27 10.442 -6.528 -1.702 195 HG11 VAL 27 1HG1 VAL 27 10.349 -7.783 -3.488 196 HG12 VAL 27 2HG1 VAL 27 8.663 -8.335 -2.983 197 HG13 VAL 27 3HG1 VAL 27 10.140 -8.771 -1.973 198 HG21 VAL 27 1HG2 VAL 27 7.654 -6.431 -2.596 199 HG22 VAL 27 2HG2 VAL 27 9.078 -5.543 -3.293 200 HG23 VAL 27 3HG2 VAL 27 8.524 -5.279 -1.586 201 H ILE 28 H ILE 28 6.324 -7.680 -0.257 202 HA ILE 28 HA ILE 28 5.730 -5.152 0.479 203 HB ILE 28 HB ILE 28 4.711 -7.837 1.069 204 HG12 ILE 28 1HG1 ILE 28 3.590 -7.516 -1.064 205 HG13 ILE 28 2HG1 ILE 28 2.880 -6.565 0.097 206 HG21 ILE 28 1HG2 ILE 28 2.595 -6.853 2.084 207 HG22 ILE 28 2HG2 ILE 28 3.281 -5.256 1.947 208 HG23 ILE 28 3HG2 ILE 28 4.037 -6.446 3.028 209 HD11 ILE 28 1HD1 ILE 28 5.091 -5.286 -1.179 210 HD12 ILE 28 2HD1 ILE 28 3.768 -4.513 -0.368 211 HD13 ILE 28 3HD1 ILE 28 3.539 -5.316 -2.002 212 H ALA 29 H ALA 29 6.669 -7.952 1.965 213 HA ALA 29 HA ALA 29 6.517 -7.240 4.472 214 HB1 ALA 29 1HB ALA 29 6.693 -9.383 3.858 215 HB2 ALA 29 2HB ALA 29 8.181 -9.046 4.844 216 HB3 ALA 29 3HB ALA 29 8.200 -9.036 3.030 217 H PHE 30 H PHE 30 9.299 -6.803 2.235 218 HA PHE 30 HA PHE 30 11.009 -5.693 4.142 219 HB2 PHE 30 2HB PHE 30 12.218 -5.979 2.417 220 HB3 PHE 30 1HB PHE 30 10.808 -5.919 1.311 221 HD1 PHE 30 1HD PHE 30 10.677 -4.312 -0.140 222 HD2 PHE 30 2HD PHE 30 13.061 -3.569 3.359 223 HE1 PHE 30 1HE PHE 30 11.405 -2.206 -0.992 224 HE2 PHE 30 2HE PHE 30 13.755 -1.500 2.456 225 HZ PHE 30 HZ PHE 30 12.954 -0.797 0.287 226 H LEU 31 H LEU 31 8.678 -4.491 1.829 227 HA LEU 31 HA LEU 31 9.021 -1.845 2.096 228 HB2 LEU 31 1HB LEU 31 6.916 -3.703 1.470 229 HB3 LEU 31 2HB LEU 31 6.372 -2.038 1.418 230 HG LEU 31 HG LEU 31 8.381 -3.518 -0.122 231 HD11 LEU 31 1HD1 LEU 31 6.478 -1.578 -1.321 232 HD12 LEU 31 2HD1 LEU 31 5.895 -3.103 -0.550 233 HD13 LEU 31 3HD1 LEU 31 7.216 -3.143 -1.783 234 HD21 LEU 31 1HD2 LEU 31 9.663 -1.834 0.272 235 HD22 LEU 31 2HD2 LEU 31 8.338 -0.639 0.453 236 HD23 LEU 31 3HD2 LEU 31 8.843 -1.184 -1.160 237 H ALA 32 H ALA 32 7.348 -4.101 3.942 238 HA ALA 32 HA ALA 32 5.991 -2.201 5.653 239 HB1 ALA 32 1HB ALA 32 6.308 -5.131 5.751 240 HB2 ALA 32 2HB ALA 32 5.079 -4.190 4.850 241 HB3 ALA 32 3HB ALA 32 5.010 -4.177 6.557 242 H GLU 33 H GLU 33 8.915 -4.233 5.904 243 HA GLU 33 HA GLU 33 9.055 -3.875 8.610 244 HB2 GLU 33 1HB GLU 33 10.929 -5.382 8.397 245 HB3 GLU 33 2HB GLU 33 9.699 -5.417 7.089 246 HG2 GLU 33 1HG GLU 33 10.883 -4.483 5.580 247 HG3 GLU 33 2HG GLU 33 12.124 -3.911 6.598 248 H ARG 34 H ARG 34 9.838 -2.381 5.937 249 HA ARG 34 HA ARG 34 11.770 -0.417 6.773 250 HB2 ARG 34 1HB ARG 34 11.799 -1.765 4.707 251 HB3 ARG 34 2HB ARG 34 10.396 -0.902 4.155 252 HG2 ARG 34 1HG ARG 34 12.293 -0.021 3.203 253 HG3 ARG 34 2HG ARG 34 11.534 1.034 4.484 254 HD2 ARG 34 1HD ARG 34 13.176 0.661 6.015 255 HD3 ARG 34 2HD ARG 34 13.612 -0.814 5.128 256 HE ARG 34 HE ARG 34 14.694 0.432 3.587 257 HH11 ARG 34 1HH1 ARG 34 13.572 2.415 6.300 258 HH12 ARG 34 2HH1 ARG 34 14.856 3.547 6.259 259 HH21 ARG 34 1HH2 ARG 34 16.469 1.927 3.541 260 HH22 ARG 34 2HH2 ARG 34 16.621 3.284 4.564 261 H PHE 35 H PHE 35 8.389 -0.333 5.329 262 HA PHE 35 HA PHE 35 8.121 2.360 6.310 263 HB2 PHE 35 2HB PHE 35 7.250 0.593 4.361 264 HB3 PHE 35 1HB PHE 35 6.057 1.769 4.482 265 HD1 PHE 35 1HD PHE 35 8.289 4.076 4.807 266 HD2 PHE 35 2HD PHE 35 7.969 0.614 2.406 267 HE1 PHE 35 1HE PHE 35 9.902 5.006 3.223 268 HE2 PHE 35 2HE PHE 35 9.442 1.425 0.915 269 HZ PHE 35 HZ PHE 35 10.532 3.644 1.187 270 HA PRO 36 HA PRO 36 5.524 0.021 9.578 271 HB2 PRO 36 2HB PRO 36 5.968 2.753 10.537 272 HB3 PRO 36 1HB PRO 36 6.263 1.199 11.402 273 HG2 PRO 36 2HG PRO 36 8.035 2.971 10.063 274 HG3 PRO 36 1HG PRO 36 8.406 1.487 10.957 275 HD2 PRO 36 2HD PRO 36 8.785 1.722 8.325 276 HD3 PRO 36 1HD PRO 36 8.400 0.208 9.127 277 H HIS 37 H HIS 37 5.104 2.793 7.442 278 HA HIS 37 HA HIS 37 2.480 3.367 8.670 279 HB2 HIS 37 1HB HIS 37 4.154 5.496 7.710 280 HB3 HIS 37 2HB HIS 37 3.387 4.909 6.308 281 HD1 HIS 37 HD1 HIS 37 2.912 7.416 8.707 282 HD2 HIS 37 HD2 HIS 37 0.560 4.804 6.562 283 HE1 HIS 37 HE1 HIS 37 0.651 8.498 8.700 284 HE2 HIS 37 HE2 HIS 37 -0.522 7.177 6.928 285 H CYS 38 H CYS 38 3.891 3.013 5.614 286 HA CYS 38 HA CYS 38 1.707 2.770 3.966 287 HB2 CYS 38 2HB CYS 38 4.433 1.625 3.507 288 HB3 CYS 38 1HB CYS 38 3.387 2.557 2.449 289 HG CYS 38 HG CYS 38 5.860 3.753 3.713 290 H PHE 39 H PHE 39 3.898 0.324 5.304 291 HA PHE 39 HA PHE 39 2.289 -1.477 3.835 292 HB2 PHE 39 2HB PHE 39 4.917 -0.850 4.471 293 HB3 PHE 39 1HB PHE 39 4.908 -2.449 4.103 294 HD1 PHE 39 1HD PHE 39 2.847 -2.338 1.846 295 HD2 PHE 39 2HD PHE 39 6.012 0.114 3.084 296 HE1 PHE 39 1HE PHE 39 3.118 -1.519 -0.435 297 HE2 PHE 39 2HE PHE 39 6.339 0.911 1.094 298 HZ PHE 39 HZ PHE 39 4.886 0.178 -0.897 299 H SER 40 H SER 40 1.932 -3.446 4.516 300 HA SER 40 HA SER 40 1.068 -4.061 7.153 301 HB2 SER 40 1HB SER 40 1.400 -5.512 4.589 302 HB3 SER 40 2HB SER 40 0.273 -5.785 5.937 303 HG SER 40 HG SER 40 -0.305 -3.468 5.383 304 H ALA 41 H ALA 41 1.746 -6.633 6.189 305 HA ALA 41 HA ALA 41 3.594 -7.987 5.305 306 HB1 ALA 41 1HB ALA 41 4.452 -6.642 7.691 307 HB2 ALA 41 2HB ALA 41 5.232 -6.670 6.066 308 HB3 ALA 41 3HB ALA 41 5.386 -8.112 7.177 309 H GLU 42 H GLU 42 2.130 -6.869 7.886 310 HA GLU 42 HA GLU 42 1.444 -8.736 9.675 311 HB2 GLU 42 1HB GLU 42 -0.698 -7.229 9.436 312 HB3 GLU 42 2HB GLU 42 0.576 -7.230 10.493 313 HG2 GLU 42 1HG GLU 42 1.732 -5.557 9.402 314 HG3 GLU 42 2HG GLU 42 0.862 -5.873 7.934 315 H GLY 43 H GLY 43 -0.716 -7.348 7.720 316 HA2 GLY 43 1HA GLY 43 -1.968 -9.438 8.811 317 HA3 GLY 43 2HA GLY 43 -2.890 -7.957 8.686 318 H GLU 44 H GLU 44 -1.910 -8.121 6.090 319 HA GLU 44 HA GLU 44 -2.757 -9.875 4.258 320 HB2 GLU 44 1HB GLU 44 -5.093 -9.222 5.456 321 HB3 GLU 44 2HB GLU 44 -4.820 -7.782 4.469 322 HG2 GLU 44 1HG GLU 44 -4.843 -9.058 2.496 323 HG3 GLU 44 2HG GLU 44 -5.156 -10.562 3.387 324 H ALA 45 H ALA 45 -3.768 -6.467 4.696 325 HA ALA 45 HA ALA 45 -1.435 -5.431 3.509 326 HB1 ALA 45 1HB ALA 45 -2.554 -4.433 1.581 327 HB2 ALA 45 2HB ALA 45 -3.998 -5.411 1.978 328 HB3 ALA 45 3HB ALA 45 -2.463 -6.196 1.516 329 H ARG 46 H ARG 46 -2.393 -2.966 2.718 330 HA ARG 46 HA ARG 46 -4.074 -1.848 4.735 331 HB2 ARG 46 1HB ARG 46 -1.778 -2.111 5.789 332 HB3 ARG 46 2HB ARG 46 -1.131 -1.111 4.503 333 HG2 ARG 46 1HG ARG 46 -2.471 0.759 5.276 334 HG3 ARG 46 2HG ARG 46 -3.156 -0.251 6.554 335 HD2 ARG 46 1HD ARG 46 -0.244 0.431 6.209 336 HD3 ARG 46 2HD ARG 46 -1.339 1.184 7.360 337 HE ARG 46 HE ARG 46 -1.407 -1.545 7.886 338 HH11 ARG 46 1HH1 ARG 46 0.984 0.991 7.851 339 HH12 ARG 46 2HH1 ARG 46 1.957 0.358 9.101 340 HH21 ARG 46 1HH2 ARG 46 -0.072 -2.502 9.695 341 HH22 ARG 46 2HH2 ARG 46 1.313 -1.673 10.131 342 HA PRO 47 HA PRO 47 -4.977 0.554 1.110 343 HB2 PRO 47 2HB PRO 47 -5.113 2.975 2.856 344 HB3 PRO 47 1HB PRO 47 -6.406 2.352 1.798 345 HG2 PRO 47 2HG PRO 47 -6.556 2.045 4.387 346 HG3 PRO 47 1HG PRO 47 -7.048 0.747 3.283 347 HD2 PRO 47 2HD PRO 47 -4.633 0.934 4.997 348 HD3 PRO 47 1HD PRO 47 -5.610 -0.476 4.546 349 H LEU 48 H LEU 48 -3.633 1.321 -0.539 350 HA LEU 48 HA LEU 48 -1.355 3.094 0.134 351 HB2 LEU 48 1HB LEU 48 -1.521 0.794 -1.758 352 HB3 LEU 48 2HB LEU 48 -0.387 2.080 -1.997 353 HG LEU 48 HG LEU 48 0.121 -0.208 -0.645 354 HD11 LEU 48 1HD1 LEU 48 2.063 0.970 0.113 355 HD12 LEU 48 2HD1 LEU 48 1.360 2.442 -0.587 356 HD13 LEU 48 3HD1 LEU 48 1.698 0.995 -1.585 357 HD21 LEU 48 1HD2 LEU 48 0.527 0.424 1.649 358 HD22 LEU 48 2HD2 LEU 48 -1.196 0.493 1.216 359 HD23 LEU 48 3HD2 LEU 48 -0.243 1.993 1.312 360 H LYS 49 H LYS 49 -0.447 4.066 -1.909 361 HA LYS 49 HA LYS 49 -2.585 5.155 -3.563 362 HB2 LYS 49 1HB LYS 49 -0.566 6.221 -4.425 363 HB3 LYS 49 2HB LYS 49 -1.233 7.042 -2.960 364 HG2 LYS 49 1HG LYS 49 0.655 5.562 -1.885 365 HG3 LYS 49 2HG LYS 49 1.152 5.307 -3.552 366 HD2 LYS 49 1HD LYS 49 1.192 7.980 -2.053 367 HD3 LYS 49 2HD LYS 49 2.547 6.953 -2.407 368 HE2 LYS 49 1HE LYS 49 2.231 7.309 -4.829 369 HE3 LYS 49 2HE LYS 49 0.906 8.415 -4.492 370 HZ1 LYS 49 1HZ LYS 49 3.800 8.820 -3.732 371 HZ2 LYS 49 2HZ LYS 49 2.572 9.832 -3.234 372 HZ3 LYS 49 3HZ LYS 49 2.931 9.686 -4.862 373 H ILE 50 H ILE 50 -0.492 2.639 -3.847 374 HA ILE 50 HA ILE 50 0.497 1.569 -5.395 375 HB ILE 50 HB ILE 50 -1.981 2.452 -6.649 376 HG12 ILE 50 1HG1 ILE 50 -0.806 0.233 -5.158 377 HG13 ILE 50 2HG1 ILE 50 -2.418 0.957 -5.167 378 HG21 ILE 50 1HG2 ILE 50 -1.466 1.077 -8.588 379 HG22 ILE 50 2HG2 ILE 50 0.146 0.852 -7.758 380 HG23 ILE 50 3HG2 ILE 50 -0.363 2.481 -8.243 381 HD11 ILE 50 1HD1 ILE 50 -1.201 -1.129 -6.997 382 HD12 ILE 50 2HD1 ILE 50 -2.785 -0.378 -7.303 383 HD13 ILE 50 3HD1 ILE 50 -2.504 -1.373 -5.849 384 H GLY 51 H GLY 51 -0.007 4.565 -6.731 385 HA2 GLY 51 1HA GLY 51 2.381 4.506 -8.395 386 HA3 GLY 51 2HA GLY 51 1.498 5.949 -7.851 387 H ILE 52 H ILE 52 1.846 4.734 -4.978 388 HA ILE 52 HA ILE 52 3.986 5.796 -3.830 389 HB ILE 52 HB ILE 52 2.465 4.590 -2.426 390 HG12 ILE 52 1HG1 ILE 52 5.032 3.376 -2.937 391 HG13 ILE 52 2HG1 ILE 52 4.692 4.618 -1.863 392 HG21 ILE 52 1HG2 ILE 52 1.643 2.416 -2.911 393 HG22 ILE 52 2HG2 ILE 52 3.294 2.062 -3.230 394 HG23 ILE 52 3HG2 ILE 52 2.360 2.656 -4.582 395 HD11 ILE 52 1HD1 ILE 52 4.884 2.074 -1.356 396 HD12 ILE 52 2HD1 ILE 52 3.156 2.208 -1.681 397 HD13 ILE 52 3HD1 ILE 52 3.874 3.166 -0.337 398 H PHE 53 H PHE 53 3.864 2.818 -5.704 399 HA PHE 53 HA PHE 53 5.970 1.530 -4.890 400 HB2 PHE 53 2HB PHE 53 4.681 0.730 -6.315 401 HB3 PHE 53 1HB PHE 53 4.678 2.029 -7.483 402 HD1 PHE 53 1HD PHE 53 6.481 2.059 -9.261 403 HD2 PHE 53 2HD PHE 53 6.540 -0.307 -5.902 404 HE1 PHE 53 1HE PHE 53 8.560 0.793 -10.151 405 HE2 PHE 53 2HE PHE 53 8.201 -1.607 -6.754 406 HZ PHE 53 HZ PHE 53 9.322 -1.116 -8.802 407 H GLN 54 H GLN 54 5.822 3.955 -7.261 408 HA GLN 54 HA GLN 54 8.425 4.486 -8.115 409 HB2 GLN 54 1HB GLN 54 6.235 5.118 -8.978 410 HB3 GLN 54 2HB GLN 54 6.040 5.578 -7.439 411 HG2 GLN 54 1HG GLN 54 7.938 7.069 -7.842 412 HG3 GLN 54 2HG GLN 54 6.925 7.629 -9.318 413 HE21 GLN 54 1HE2 GLN 54 6.900 7.437 -5.470 414 HE22 GLN 54 2HE2 GLN 54 5.949 6.286 -5.995 415 H ASP 55 H ASP 55 7.178 4.961 -5.336 416 HA ASP 55 HA ASP 55 8.774 7.211 -4.598 417 HB2 ASP 55 1HB ASP 55 6.210 6.248 -3.759 418 HB3 ASP 55 2HB ASP 55 7.176 6.496 -2.414 419 H LEU 56 H LEU 56 7.694 4.251 -3.647 420 HA LEU 56 HA LEU 56 9.222 3.386 -1.575 421 HB2 LEU 56 1HB LEU 56 7.942 2.495 -4.073 422 HB3 LEU 56 2HB LEU 56 7.873 2.950 -2.438 423 HG LEU 56 HG LEU 56 8.697 0.392 -2.565 424 HD11 LEU 56 1HD1 LEU 56 7.334 0.660 -0.629 425 HD12 LEU 56 2HD1 LEU 56 6.747 2.144 -1.409 426 HD13 LEU 56 3HD1 LEU 56 8.385 2.122 -0.641 427 HD21 LEU 56 1HD2 LEU 56 6.345 0.249 -2.304 428 HD22 LEU 56 2HD2 LEU 56 7.023 0.426 -3.960 429 HD23 LEU 56 3HD2 LEU 56 6.420 1.873 -2.951 430 H VAL 57 H VAL 57 9.503 3.272 -4.825 431 HA VAL 57 HA VAL 57 11.882 2.024 -4.808 432 HB VAL 57 HB VAL 57 12.159 2.462 -7.147 433 HG11 VAL 57 1HG1 VAL 57 10.028 1.621 -5.577 434 HG12 VAL 57 2HG1 VAL 57 10.680 0.802 -7.080 435 HG13 VAL 57 3HG1 VAL 57 9.419 2.199 -7.087 436 HG21 VAL 57 1HG2 VAL 57 11.568 4.684 -7.225 437 HG22 VAL 57 2HG2 VAL 57 9.927 4.412 -6.678 438 HG23 VAL 57 3HG2 VAL 57 10.462 3.731 -8.263 439 H ASP 58 H ASP 58 11.226 5.452 -4.795 440 HA ASP 58 HA ASP 58 13.447 6.757 -5.299 441 HB2 ASP 58 1HB ASP 58 11.248 7.220 -3.795 442 HB3 ASP 58 2HB ASP 58 12.401 6.868 -2.675 443 H ARG 59 H ARG 59 12.521 4.852 -2.626 444 HA ARG 59 HA ARG 59 14.647 5.298 -0.842 445 HB2 ARG 59 1HB ARG 59 11.960 4.766 -0.958 446 HB3 ARG 59 2HB ARG 59 12.697 4.175 0.578 447 HG2 ARG 59 1HG ARG 59 12.667 6.398 1.302 448 HG3 ARG 59 2HG ARG 59 13.060 7.015 -0.316 449 HD2 ARG 59 1HD ARG 59 10.904 6.727 -1.084 450 HD3 ARG 59 2HD ARG 59 10.417 5.721 0.250 451 HE ARG 59 HE ARG 59 10.716 7.950 1.543 452 HH11 ARG 59 1HH1 ARG 59 9.811 7.866 -1.861 453 HH12 ARG 59 2HH1 ARG 59 8.591 9.029 -1.795 454 HH21 ARG 59 1HH2 ARG 59 8.925 9.694 1.720 455 HH22 ARG 59 2HH2 ARG 59 8.117 10.060 0.296 456 H VAL 60 H VAL 60 12.313 2.684 -1.859 457 HA VAL 60 HA VAL 60 13.178 0.898 -0.137 458 HB VAL 60 HB VAL 60 11.856 -0.580 -1.587 459 HG11 VAL 60 1HG1 VAL 60 11.221 2.132 -0.780 460 HG12 VAL 60 2HG1 VAL 60 10.683 0.477 -0.130 461 HG13 VAL 60 3HG1 VAL 60 10.188 1.123 -1.831 462 HG21 VAL 60 1HG2 VAL 60 10.601 1.048 -3.193 463 HG22 VAL 60 2HG2 VAL 60 11.879 -0.132 -3.635 464 HG23 VAL 60 3HG2 VAL 60 12.287 1.550 -3.214 465 H ALA 61 H ALA 61 13.967 1.290 -3.375 466 HA ALA 61 HA ALA 61 13.843 -1.222 -4.012 467 HB1 ALA 61 1HB ALA 61 13.678 0.559 -5.372 468 HB2 ALA 61 2HB ALA 61 14.503 -0.852 -6.053 469 HB3 ALA 61 3HB ALA 61 15.450 0.631 -5.618 470 H GLY 62 H GLY 62 16.810 -0.058 -4.222 471 HA2 GLY 62 1HA GLY 62 17.442 -2.858 -4.033 472 HA3 GLY 62 2HA GLY 62 18.416 -1.882 -5.044 473 H GLU 63 H GLU 63 17.170 -1.584 -2.053 474 HA GLU 63 HA GLU 63 19.426 -1.024 -0.458 475 HB2 GLU 63 1HB GLU 63 16.696 -1.984 0.042 476 HB3 GLU 63 2HB GLU 63 17.773 -1.843 1.386 477 HG2 GLU 63 1HG GLU 63 18.005 0.644 0.308 478 HG3 GLU 63 2HG GLU 63 16.437 0.175 -0.369 479 H MET 64 H MET 64 17.273 -3.815 -0.558 480 HA MET 64 HA MET 64 19.470 -5.477 0.289 481 HB2 MET 64 1HB MET 64 16.752 -6.482 0.015 482 HB3 MET 64 2HB MET 64 18.089 -7.185 0.824 483 HG2 MET 64 1HG MET 64 16.427 -6.567 2.159 484 HG3 MET 64 2HG MET 64 17.862 -5.602 2.663 485 HE1 MET 64 1HE MET 64 14.147 -5.646 1.225 486 HE2 MET 64 2HE MET 64 15.252 -5.438 -0.155 487 HE3 MET 64 3HE MET 64 14.150 -4.130 0.347 488 H ASN 65 H ASN 65 16.957 -5.337 -1.743 489 HA ASN 65 HA ASN 65 18.308 -6.901 -3.679 490 HB2 ASN 65 1HB ASN 65 16.449 -8.700 -3.389 491 HB3 ASN 65 2HB ASN 65 17.784 -8.576 -2.156 492 HD21 ASN 65 1HD2 ASN 65 15.627 -8.734 0.131 493 HD22 ASN 65 2HD2 ASN 65 16.998 -9.256 -0.678 494 H LEU 66 H LEU 66 16.582 -4.603 -4.103 495 HA LEU 66 HA LEU 66 14.302 -5.587 -5.862 496 HB2 LEU 66 1HB LEU 66 14.885 -3.823 -4.001 497 HB3 LEU 66 2HB LEU 66 13.960 -2.850 -5.016 498 HG LEU 66 HG LEU 66 13.733 -4.518 -2.707 499 HD11 LEU 66 1HD1 LEU 66 13.130 -2.343 -2.714 500 HD12 LEU 66 2HD1 LEU 66 11.586 -3.257 -2.504 501 HD13 LEU 66 3HD1 LEU 66 12.059 -2.529 -4.069 502 HD21 LEU 66 1HD2 LEU 66 11.737 -5.157 -4.861 503 HD22 LEU 66 2HD2 LEU 66 11.673 -5.720 -3.143 504 HD23 LEU 66 3HD2 LEU 66 13.141 -5.981 -4.189 505 H SER 67 H SER 67 14.289 -5.198 -7.607 506 HA SER 67 HA SER 67 15.955 -3.162 -8.890 507 HB2 SER 67 1HB SER 67 16.351 -5.432 -9.480 508 HB3 SER 67 2HB SER 67 14.629 -5.702 -9.715 509 HG SER 67 HG SER 67 16.106 -5.332 -11.642 510 H LYS 68 H LYS 68 13.409 -2.522 -7.523 511 HA LYS 68 HA LYS 68 11.380 -1.476 -7.694 512 HB2 LYS 68 1HB LYS 68 11.708 -0.974 -10.570 513 HB3 LYS 68 2HB LYS 68 10.583 -0.317 -9.661 514 HG2 LYS 68 1HG LYS 68 12.451 1.281 -10.172 515 HG3 LYS 68 2HG LYS 68 11.766 1.274 -8.557 516 HD2 LYS 68 1HD LYS 68 13.847 1.041 -7.856 517 HD3 LYS 68 2HD LYS 68 13.433 -0.559 -8.434 518 HE2 LYS 68 1HE LYS 68 14.937 1.530 -10.109 519 HE3 LYS 68 2HE LYS 68 15.720 0.157 -9.347 520 HZ1 LYS 68 1HZ LYS 68 15.365 -0.288 -11.672 521 HZ2 LYS 68 2HZ LYS 68 13.733 0.075 -11.564 522 HZ3 LYS 68 3HZ LYS 68 14.323 -1.312 -10.824 523 H THR 69 H THR 69 11.752 -3.718 -10.524 524 HA THR 69 HA THR 69 8.995 -3.529 -10.818 525 HB THR 69 HB THR 69 9.255 -4.968 -12.357 526 HG1 THR 69 1HG THR 69 11.419 -6.030 -12.768 527 HG21 THR 69 1HG2 THR 69 10.922 -3.726 -13.854 528 HG22 THR 69 2HG2 THR 69 11.436 -3.022 -12.303 529 HG23 THR 69 3HG2 THR 69 9.793 -2.719 -12.893 530 H GLN 70 H GLN 70 11.200 -5.534 -9.379 531 HA GLN 70 HA GLN 70 9.414 -7.744 -8.847 532 HB2 GLN 70 1HB GLN 70 11.194 -8.455 -7.274 533 HB3 GLN 70 2HB GLN 70 11.876 -8.119 -8.837 534 HG2 GLN 70 1HG GLN 70 12.561 -5.991 -8.144 535 HG3 GLN 70 2HG GLN 70 11.661 -6.411 -6.662 536 HE21 GLN 70 1HE2 GLN 70 13.884 -8.166 -5.239 537 HE22 GLN 70 2HE2 GLN 70 12.242 -7.641 -5.291 538 H LEU 71 H LEU 71 9.759 -4.680 -7.661 539 HA LEU 71 HA LEU 71 8.427 -5.084 -5.060 540 HB2 LEU 71 1HB LEU 71 10.587 -3.730 -5.555 541 HB3 LEU 71 2HB LEU 71 9.684 -2.647 -6.427 542 HG LEU 71 HG LEU 71 10.247 -2.839 -3.743 543 HD11 LEU 71 1HD1 LEU 71 9.761 -0.493 -3.739 544 HD12 LEU 71 2HD1 LEU 71 8.849 -0.738 -5.266 545 HD13 LEU 71 3HD1 LEU 71 10.605 -0.914 -5.227 546 HD21 LEU 71 1HD2 LEU 71 8.222 -3.694 -3.282 547 HD22 LEU 71 2HD2 LEU 71 7.473 -2.685 -4.499 548 HD23 LEU 71 3HD2 LEU 71 8.070 -1.938 -2.993 549 H ARG 72 H ARG 72 8.054 -3.626 -8.248 550 HA ARG 72 HA ARG 72 5.778 -2.260 -7.480 551 HB2 ARG 72 1HB ARG 72 5.336 -1.916 -10.004 552 HB3 ARG 72 2HB ARG 72 7.039 -1.752 -9.541 553 HG2 ARG 72 1HG ARG 72 7.253 -2.941 -11.382 554 HG3 ARG 72 2HG ARG 72 7.253 -4.040 -9.932 555 HD2 ARG 72 1HD ARG 72 5.913 -5.192 -11.568 556 HD3 ARG 72 2HD ARG 72 4.914 -4.335 -10.352 557 HE ARG 72 HE ARG 72 4.992 -2.558 -12.323 558 HH11 ARG 72 1HH1 ARG 72 4.154 -6.020 -12.366 559 HH12 ARG 72 2HH1 ARG 72 3.158 -5.944 -13.728 560 HH21 ARG 72 1HH2 ARG 72 3.577 -2.432 -14.280 561 HH22 ARG 72 2HH2 ARG 72 2.824 -3.838 -14.841 562 H SER 73 H SER 73 6.384 -5.357 -8.279 563 HA SER 73 HA SER 73 3.859 -6.187 -9.042 564 HB2 SER 73 1HB SER 73 5.653 -6.685 -9.950 565 HB3 SER 73 2HB SER 73 6.515 -7.169 -8.608 566 HG SER 73 HG SER 73 5.369 -9.172 -8.582 567 H ALA 74 H ALA 74 5.573 -5.677 -6.383 568 HA ALA 74 HA ALA 74 4.154 -7.475 -4.470 569 HB1 ALA 74 1HB ALA 74 5.412 -6.213 -2.782 570 HB2 ALA 74 2HB ALA 74 5.947 -5.094 -4.032 571 HB3 ALA 74 3HB ALA 74 6.499 -6.747 -4.057 572 H LEU 75 H LEU 75 3.942 -4.677 -5.954 573 HA LEU 75 HA LEU 75 2.239 -3.462 -3.983 574 HB2 LEU 75 1HB LEU 75 4.272 -3.333 -5.079 575 HB3 LEU 75 2HB LEU 75 3.935 -2.269 -6.196 576 HG LEU 75 HG LEU 75 3.830 -2.222 -3.157 577 HD11 LEU 75 1HD1 LEU 75 5.220 -0.371 -4.754 578 HD12 LEU 75 2HD1 LEU 75 5.800 -2.036 -4.985 579 HD13 LEU 75 3HD1 LEU 75 5.806 -1.271 -3.374 580 HD21 LEU 75 1HD2 LEU 75 2.157 -0.556 -4.270 581 HD22 LEU 75 2HD2 LEU 75 3.750 0.286 -4.625 582 HD23 LEU 75 3HD2 LEU 75 3.297 -0.117 -2.995 583 H ARG 76 H ARG 76 1.950 -5.198 -6.709 584 HA ARG 76 HA ARG 76 -0.736 -4.207 -7.131 585 HB2 ARG 76 1HB ARG 76 0.969 -5.971 -8.875 586 HB3 ARG 76 2HB ARG 76 -0.774 -6.086 -8.991 587 HG2 ARG 76 1HG ARG 76 0.054 -4.681 -10.747 588 HG3 ARG 76 2HG ARG 76 -0.822 -3.671 -9.594 589 HD2 ARG 76 1HD ARG 76 1.770 -4.132 -8.886 590 HD3 ARG 76 2HD ARG 76 1.812 -3.233 -10.470 591 HE ARG 76 HE ARG 76 0.544 -2.481 -7.895 592 HH11 ARG 76 1HH1 ARG 76 2.206 -1.318 -10.754 593 HH12 ARG 76 2HH1 ARG 76 2.798 0.118 -10.028 594 HH21 ARG 76 1HH2 ARG 76 1.392 -0.652 -6.866 595 HH22 ARG 76 2HH2 ARG 76 2.289 0.547 -7.684 596 H LEU 77 H LEU 77 1.299 -6.616 -5.869 597 HA LEU 77 HA LEU 77 -0.220 -8.973 -5.909 598 HB2 LEU 77 1HB LEU 77 2.381 -8.564 -5.298 599 HB3 LEU 77 2HB LEU 77 1.805 -8.113 -3.927 600 HG LEU 77 HG LEU 77 0.566 -10.513 -4.094 601 HD11 LEU 77 1HD1 LEU 77 2.675 -11.826 -4.234 602 HD12 LEU 77 2HD1 LEU 77 3.456 -10.235 -4.169 603 HD13 LEU 77 3HD1 LEU 77 2.655 -10.737 -5.687 604 HD21 LEU 77 1HD2 LEU 77 1.135 -9.204 -2.205 605 HD22 LEU 77 2HD2 LEU 77 2.772 -9.218 -2.889 606 HD23 LEU 77 3HD2 LEU 77 2.131 -10.723 -2.145 607 H TYR 78 H TYR 78 0.743 -6.955 -3.263 608 HA TYR 78 HA TYR 78 -1.186 -8.265 -1.673 609 HB2 TYR 78 2HB TYR 78 -0.080 -7.543 0.213 610 HB3 TYR 78 1HB TYR 78 1.206 -7.334 -0.931 611 HD1 TYR 78 1HD TYR 78 0.803 -4.924 -2.213 612 HD2 TYR 78 2HD TYR 78 -0.010 -6.077 1.722 613 HE1 TYR 78 1HE TYR 78 0.970 -2.617 -1.551 614 HE2 TYR 78 2HE TYR 78 0.189 -3.828 2.460 615 HH TYR 78 HH TYR 78 0.893 -1.815 1.878 616 H THR 79 H THR 79 -1.017 -5.713 -3.638 617 HA THR 79 HA THR 79 -3.064 -4.129 -2.311 618 HB THR 79 HB THR 79 -2.933 -2.557 -4.082 619 HG1 THR 79 1HG THR 79 -2.865 -4.095 -5.835 620 HG21 THR 79 1HG2 THR 79 -0.221 -3.719 -3.709 621 HG22 THR 79 2HG2 THR 79 -1.163 -2.928 -2.480 622 HG23 THR 79 3HG2 THR 79 -0.656 -1.996 -3.922 623 H SER 80 H SER 80 -3.053 -6.842 -4.157 624 HA SER 80 HA SER 80 -5.755 -6.535 -5.087 625 HB2 SER 80 1HB SER 80 -3.894 -8.933 -5.105 626 HB3 SER 80 2HB SER 80 -5.504 -8.910 -5.825 627 HG SER 80 HG SER 80 -3.242 -7.357 -6.571 628 H SER 81 H SER 81 -4.387 -6.849 -2.070 629 HA SER 81 HA SER 81 -6.185 -8.783 -1.038 630 HB2 SER 81 1HB SER 81 -4.494 -8.591 0.463 631 HB3 SER 81 2HB SER 81 -4.108 -6.956 -0.101 632 HG SER 81 HG SER 81 -6.113 -7.746 1.730 633 H TRP 82 H TRP 82 -7.684 -8.060 0.414 634 HA TRP 82 HA TRP 82 -9.468 -5.858 -0.706 635 HB2 TRP 82 2HB TRP 82 -10.303 -8.358 0.062 636 HB3 TRP 82 1HB TRP 82 -10.282 -7.485 1.587 637 HD1 TRP 82 1HD TRP 82 -11.063 -5.978 -1.653 638 HE1 TRP 82 1HE TRP 82 -13.519 -5.491 -1.719 639 HE3 TRP 82 3HE TRP 82 -12.249 -8.159 2.607 640 HZ2 TRP 82 2HZ TRP 82 -15.711 -5.912 -0.022 641 HZ3 TRP 82 3HZ TRP 82 -14.502 -8.036 3.332 642 HH2 TRP 82 2HH TRP 82 -16.242 -6.943 1.923 643 H ARG 83 H ARG 83 -8.255 -6.995 2.160 644 HA ARG 83 HA ARG 83 -8.998 -4.740 3.623 645 HB2 ARG 83 1HB ARG 83 -8.417 -5.955 5.126 646 HB3 ARG 83 2HB ARG 83 -7.318 -7.015 4.211 647 HG2 ARG 83 1HG ARG 83 -5.549 -5.337 4.682 648 HG3 ARG 83 2HG ARG 83 -6.711 -4.392 5.604 649 HD2 ARG 83 1HD ARG 83 -6.953 -6.246 7.187 650 HD3 ARG 83 2HD ARG 83 -5.869 -7.230 6.202 651 HE ARG 83 HE ARG 83 -4.371 -5.072 6.750 652 HH11 ARG 83 1HH1 ARG 83 -6.193 -7.300 8.784 653 HH12 ARG 83 2HH1 ARG 83 -5.191 -7.165 10.158 654 HH21 ARG 83 1HH2 ARG 83 -2.850 -4.916 8.643 655 HH22 ARG 83 2HH2 ARG 83 -3.233 -5.719 10.051 656 H TYR 84 H TYR 84 -6.538 -5.141 1.505 657 HA TYR 84 HA TYR 84 -5.101 -2.855 1.864 658 HB2 TYR 84 2HB TYR 84 -4.542 -4.551 0.211 659 HB3 TYR 84 1HB TYR 84 -6.044 -4.234 -0.612 660 HD1 TYR 84 1HD TYR 84 -6.341 -2.595 -2.018 661 HD2 TYR 84 2HD TYR 84 -2.782 -2.757 0.239 662 HE1 TYR 84 1HE TYR 84 -5.436 -0.812 -3.399 663 HE2 TYR 84 2HE TYR 84 -1.830 -0.983 -1.056 664 HH TYR 84 HH TYR 84 -2.175 -0.062 -3.380 665 H LEU 85 H LEU 85 -7.810 -3.284 -0.353 666 HA LEU 85 HA LEU 85 -8.093 -0.521 -0.644 667 HB2 LEU 85 1HB LEU 85 -10.069 -0.963 -1.922 668 HB3 LEU 85 2HB LEU 85 -8.374 -1.261 -2.554 669 HG LEU 85 HG LEU 85 -10.262 -2.741 -3.449 670 HD11 LEU 85 1HD1 LEU 85 -9.299 -4.812 -2.975 671 HD12 LEU 85 2HD1 LEU 85 -8.684 -4.125 -1.467 672 HD13 LEU 85 3HD1 LEU 85 -7.977 -3.590 -3.010 673 HD21 LEU 85 1HD2 LEU 85 -11.626 -2.451 -1.452 674 HD22 LEU 85 2HD2 LEU 85 -10.526 -3.469 -0.584 675 HD23 LEU 85 3HD2 LEU 85 -11.481 -4.116 -1.934 676 H TYR 86 H TYR 86 -9.173 -1.880 1.716 677 HA TYR 86 HA TYR 86 -11.756 -1.433 2.124 678 HB2 TYR 86 2HB TYR 86 -9.425 -1.568 3.325 679 HB3 TYR 86 1HB TYR 86 -10.411 -0.737 4.468 680 HD1 TYR 86 1HD TYR 86 -11.124 -2.460 6.100 681 HD2 TYR 86 2HD TYR 86 -10.616 -3.495 2.011 682 HE1 TYR 86 1HE TYR 86 -11.894 -4.704 6.569 683 HE2 TYR 86 2HE TYR 86 -11.308 -5.518 2.347 684 HH TYR 86 HH TYR 86 -11.501 -7.236 4.395 685 H GLY 87 H GLY 87 -9.219 0.638 1.614 686 HA2 GLY 87 1HA GLY 87 -10.551 2.974 1.161 687 HA3 GLY 87 2HA GLY 87 -9.760 3.220 2.735 688 H VAL 88 H VAL 88 -9.649 2.304 -0.608 689 HA VAL 88 HA VAL 88 -7.174 3.797 -0.894 690 HB VAL 88 HB VAL 88 -7.696 1.174 -2.240 691 HG11 VAL 88 1HG1 VAL 88 -5.298 1.432 -2.963 692 HG12 VAL 88 2HG1 VAL 88 -5.262 3.019 -2.190 693 HG13 VAL 88 3HG1 VAL 88 -6.332 2.727 -3.560 694 HG21 VAL 88 1HG2 VAL 88 -7.254 1.078 0.139 695 HG22 VAL 88 2HG2 VAL 88 -5.692 1.816 -0.184 696 HG23 VAL 88 3HG2 VAL 88 -6.092 0.179 -0.839 697 H LYS 89 H LYS 89 -7.828 5.197 -2.521 698 HA LYS 89 HA LYS 89 -8.131 4.389 -5.075 699 HB2 LYS 89 1HB LYS 89 -10.585 3.860 -4.314 700 HB3 LYS 89 2HB LYS 89 -10.863 5.576 -4.270 701 HG2 LYS 89 1HG LYS 89 -11.672 4.592 -6.312 702 HG3 LYS 89 2HG LYS 89 -10.396 5.767 -6.621 703 HD2 LYS 89 1HD LYS 89 -10.245 3.667 -7.992 704 HD3 LYS 89 2HD LYS 89 -8.798 4.034 -7.067 705 HE2 LYS 89 1HE LYS 89 -9.387 1.625 -7.023 706 HE3 LYS 89 2HE LYS 89 -9.381 2.340 -5.418 707 HZ1 LYS 89 1HZ LYS 89 -11.257 0.817 -5.916 708 HZ2 LYS 89 2HZ LYS 89 -11.909 1.984 -6.969 709 HZ3 LYS 89 3HZ LYS 89 -11.689 2.299 -5.319 710 HA PRO 90 HA PRO 90 -7.394 9.016 -4.377 711 HB2 PRO 90 2HB PRO 90 -8.699 9.742 -1.992 712 HB3 PRO 90 1HB PRO 90 -9.149 10.384 -3.616 713 HG2 PRO 90 2HG PRO 90 -10.869 8.963 -2.164 714 HG3 PRO 90 1HG PRO 90 -10.711 8.645 -3.910 715 HD2 PRO 90 2HD PRO 90 -9.288 7.284 -1.679 716 HD3 PRO 90 1HD PRO 90 -10.341 6.513 -2.870 717 H GLY 91 H GLY 91 -7.176 10.327 -1.713 718 HA2 GLY 91 1HA GLY 91 -5.032 9.171 -1.096 719 HA3 GLY 91 2HA GLY 91 -5.371 10.639 -0.222 720 H ALA 92 H ALA 92 -6.884 8.074 -0.585 721 HA ALA 92 HA ALA 92 -7.709 6.994 1.922 722 HB1 ALA 92 1HB ALA 92 -7.465 6.012 -0.801 723 HB2 ALA 92 2HB ALA 92 -8.913 6.542 0.048 724 HB3 ALA 92 3HB ALA 92 -8.167 4.943 0.422 725 H THR 93 H THR 93 -5.255 6.341 -0.124 726 HA THR 93 HA THR 93 -3.761 4.343 0.791 727 HB THR 93 HB THR 93 -3.035 5.499 -0.974 728 HG1 THR 93 1HG THR 93 -1.457 5.009 0.803 729 HG21 THR 93 1HG2 THR 93 -4.107 7.434 -0.826 730 HG22 THR 93 2HG2 THR 93 -2.395 7.990 -0.875 731 HG23 THR 93 3HG2 THR 93 -3.308 7.997 0.604 732 H ARG 94 H ARG 94 -3.992 7.571 2.109 733 HA ARG 94 HA ARG 94 -3.047 8.662 3.770 734 HB2 ARG 94 1HB ARG 94 -3.321 5.981 4.955 735 HB3 ARG 94 2HB ARG 94 -2.421 7.361 5.660 736 HG2 ARG 94 1HG ARG 94 -4.660 7.337 6.672 737 HG3 ARG 94 2HG ARG 94 -4.648 8.633 5.484 738 HD2 ARG 94 1HD ARG 94 -5.925 7.149 3.870 739 HD3 ARG 94 2HD ARG 94 -5.693 5.860 5.021 740 HE ARG 94 HE ARG 94 -6.962 7.926 6.354 741 HH11 ARG 94 1HH1 ARG 94 -7.564 5.564 3.818 742 HH12 ARG 94 2HH1 ARG 94 -9.222 5.370 4.156 743 HH21 ARG 94 1HH2 ARG 94 -9.105 7.674 6.934 744 HH22 ARG 94 2HH2 ARG 94 -10.178 6.667 6.048 745 H VAL 95 H VAL 95 -1.067 6.842 1.857 746 HA VAL 95 HA VAL 95 1.142 7.872 3.241 747 HB VAL 95 HB VAL 95 2.272 5.995 3.720 748 HG11 VAL 95 1HG1 VAL 95 0.868 4.198 4.436 749 HG12 VAL 95 2HG1 VAL 95 -0.398 4.882 3.294 750 HG13 VAL 95 3HG1 VAL 95 0.216 5.835 4.663 751 HG21 VAL 95 1HG2 VAL 95 2.470 5.656 1.443 752 HG22 VAL 95 2HG2 VAL 95 1.049 4.557 1.399 753 HG23 VAL 95 3HG2 VAL 95 2.533 4.184 2.399 754 H ASP 96 H ASP 96 2.664 8.172 2.183 755 HA ASP 96 HA ASP 96 3.275 7.541 -0.663 756 HB2 ASP 96 1HB ASP 96 4.217 9.826 -0.887 757 HB3 ASP 96 2HB ASP 96 2.517 9.929 -0.436 758 H LEU 97 H LEU 97 4.027 6.132 1.587 759 HA LEU 97 HA LEU 97 5.182 5.459 2.843 760 HB2 LEU 97 1HB LEU 97 7.636 5.657 1.258 761 HB3 LEU 97 2HB LEU 97 6.919 4.589 2.334 762 HG LEU 97 HG LEU 97 5.056 5.012 0.403 763 HD11 LEU 97 1HD1 LEU 97 7.766 4.051 -0.383 764 HD12 LEU 97 2HD1 LEU 97 7.266 5.697 -0.799 765 HD13 LEU 97 3HD1 LEU 97 6.456 4.283 -1.526 766 HD21 LEU 97 1HD2 LEU 97 5.383 3.208 1.831 767 HD22 LEU 97 2HD2 LEU 97 7.071 3.325 1.093 768 HD23 LEU 97 3HD2 LEU 97 5.677 2.763 0.061 769 H ASP 98 H ASP 98 5.552 8.693 2.863 770 HA ASP 98 HA ASP 98 7.009 8.563 5.288 771 HB2 ASP 98 1HB ASP 98 5.921 10.680 3.464 772 HB3 ASP 98 2HB ASP 98 6.047 11.114 5.138 773 H GLY 99 H GLY 99 3.928 8.863 3.811 774 HA2 GLY 99 1HA GLY 99 2.257 7.480 4.895 775 HA3 GLY 99 2HA GLY 99 2.673 8.080 6.351 776 H ASN 100 H ASN 100 2.338 10.048 3.411 777 HA ASN 100 HA ASN 100 0.190 11.823 4.342 778 HB2 ASN 100 1HB ASN 100 2.326 11.449 2.383 779 HB3 ASN 100 2HB ASN 100 1.199 12.569 1.891 780 HD21 ASN 100 1HD2 ASN 100 3.998 13.967 3.341 781 HD22 ASN 100 2HD2 ASN 100 3.761 12.745 2.152 782 HA PRO 101 HA PRO 101 -2.496 9.120 2.041 783 HB2 PRO 101 2HB PRO 101 -4.081 11.546 1.398 784 HB3 PRO 101 1HB PRO 101 -4.415 10.168 2.370 785 HG2 PRO 101 2HG PRO 101 -3.882 12.484 3.618 786 HG3 PRO 101 1HG PRO 101 -3.055 11.007 4.234 787 HD2 PRO 101 2HD PRO 101 -2.285 12.657 2.058 788 HD3 PRO 101 1HD PRO 101 -1.284 12.834 3.392 789 H CYS 102 H CYS 102 -0.649 9.133 0.536 790 HA CYS 102 HA CYS 102 0.630 9.792 -1.143 791 HB2 CYS 102 2HB CYS 102 -0.302 8.814 -2.863 792 HB3 CYS 102 1HB CYS 102 -1.923 9.029 -2.380 793 HG CYS 102 HG CYS 102 -2.469 10.497 -4.303 794 H GLY 103 H GLY 103 -0.886 11.635 0.468 795 HA2 GLY 103 1HA GLY 103 -0.617 13.884 1.220 796 HA3 GLY 103 2HA GLY 103 0.392 14.101 -0.199 797 H GLU 104 H GLU 104 -2.189 12.638 -0.880 798 HA GLU 104 HA GLU 104 -3.284 14.637 -2.564 799 HB2 GLU 104 1HB GLU 104 -3.349 12.686 -3.786 800 HB3 GLU 104 2HB GLU 104 -3.048 11.837 -2.264 801 HG2 GLU 104 1HG GLU 104 -4.980 11.360 -1.793 802 HG3 GLU 104 2HG GLU 104 -5.795 12.598 -2.822 803 H LEU 105 H LEU 105 -4.481 12.668 0.278 804 HA LEU 105 HA LEU 105 -6.745 14.517 0.284 805 HB2 LEU 105 1HB LEU 105 -7.054 12.035 -0.870 806 HB3 LEU 105 2HB LEU 105 -7.080 11.668 0.717 807 HG LEU 105 HG LEU 105 -8.894 13.906 0.088 808 HD11 LEU 105 1HD1 LEU 105 -10.460 11.738 -0.221 809 HD12 LEU 105 2HD1 LEU 105 -8.917 11.303 -1.058 810 HD13 LEU 105 3HD1 LEU 105 -9.825 12.748 -1.591 811 HD21 LEU 105 1HD2 LEU 105 -9.865 11.713 1.561 812 HD22 LEU 105 2HD2 LEU 105 -9.425 13.411 1.974 813 HD23 LEU 105 3HD2 LEU 105 -8.193 12.201 1.984 814 H ASP 106 H ASP 106 -7.884 14.492 2.045 815 HA ASP 106 HA ASP 106 -6.853 14.565 4.748 816 HB2 ASP 106 1HB ASP 106 -8.538 16.211 3.943 817 HB3 ASP 106 2HB ASP 106 -9.312 14.994 3.029 818 H GLU 107 H GLU 107 -9.169 13.291 5.693 819 HA GLU 107 HA GLU 107 -9.278 10.632 4.418 820 HB2 GLU 107 1HB GLU 107 -8.644 9.475 6.265 821 HB3 GLU 107 2HB GLU 107 -8.045 11.119 6.644 822 HG2 GLU 107 1HG GLU 107 -9.687 11.632 8.039 823 HG3 GLU 107 2HG GLU 107 -10.780 10.514 7.335 824 H GLN 108 H GLN 108 -10.996 13.152 5.139 825 HA GLN 108 HA GLN 108 -13.511 11.682 5.415 826 HB2 GLN 108 1HB GLN 108 -12.772 13.668 6.977 827 HB3 GLN 108 2HB GLN 108 -13.070 14.562 5.479 828 HG2 GLN 108 1HG GLN 108 -15.294 13.974 5.405 829 HG3 GLN 108 2HG GLN 108 -14.984 12.644 6.541 830 HE21 GLN 108 1HE2 GLN 108 -14.682 16.238 8.407 831 HE22 GLN 108 2HE2 GLN 108 -13.639 15.785 7.103 832 H HIS 109 H HIS 109 -11.347 12.306 3.277 833 HA HIS 109 HA HIS 109 -13.629 12.150 1.545 834 HB2 HIS 109 1HB HIS 109 -11.023 13.074 1.149 835 HB3 HIS 109 2HB HIS 109 -12.198 13.261 -0.211 836 HD1 HIS 109 HD1 HIS 109 -14.343 14.654 1.987 837 HD2 HIS 109 HD2 HIS 109 -10.455 15.903 1.218 838 HE1 HIS 109 HE1 HIS 109 -14.248 17.034 2.730 839 HE2 HIS 109 HE2 HIS 109 -11.790 17.481 2.737 840 H VAL 110 H VAL 110 -10.901 10.874 2.567 841 HA VAL 110 HA VAL 110 -11.317 9.111 0.555 842 HB VAL 110 HB VAL 110 -9.415 7.658 1.570 843 HG11 VAL 110 1HG1 VAL 110 -9.622 8.965 -0.395 844 HG12 VAL 110 2HG1 VAL 110 -7.985 9.356 0.263 845 HG13 VAL 110 3HG1 VAL 110 -9.395 10.403 0.565 846 HG21 VAL 110 1HG2 VAL 110 -9.094 10.355 2.658 847 HG22 VAL 110 2HG2 VAL 110 -7.857 9.073 2.768 848 HG23 VAL 110 3HG2 VAL 110 -9.403 8.926 3.673 849 H GLU 111 H GLU 111 -12.478 9.822 2.769 850 HA GLU 111 HA GLU 111 -13.591 7.896 4.497 851 HB2 GLU 111 1HB GLU 111 -13.660 10.100 4.821 852 HB3 GLU 111 2HB GLU 111 -14.368 10.736 3.659 853 HG2 GLU 111 1HG GLU 111 -15.679 8.520 4.905 854 HG3 GLU 111 2HG GLU 111 -15.856 10.109 5.734 855 H HIS 112 H HIS 112 -14.267 9.079 1.340 856 HA HIS 112 HA HIS 112 -16.397 7.238 0.964 857 HB2 HIS 112 1HB HIS 112 -14.791 8.884 -0.714 858 HB3 HIS 112 2HB HIS 112 -16.270 8.141 -1.409 859 HD1 HIS 112 HD1 HIS 112 -18.613 9.162 -0.392 860 HD2 HIS 112 HD2 HIS 112 -15.179 11.136 0.787 861 HE1 HIS 112 HE1 HIS 112 -19.413 11.231 0.750 862 HE2 HIS 112 HE2 HIS 112 -17.342 11.752 1.993 863 H ALA 113 H ALA 113 -13.166 7.076 0.763 864 HA ALA 113 HA ALA 113 -13.154 4.969 -0.999 865 HB1 ALA 113 1HB ALA 113 -11.089 5.573 0.815 866 HB2 ALA 113 2HB ALA 113 -11.660 6.892 -0.243 867 HB3 ALA 113 3HB ALA 113 -10.946 5.369 -0.977 868 H ARG 114 H ARG 114 -13.144 5.759 2.220 869 HA ARG 114 HA ARG 114 -12.322 3.459 3.324 870 HB2 ARG 114 1HB ARG 114 -12.489 5.835 4.292 871 HB3 ARG 114 2HB ARG 114 -14.167 5.491 4.548 872 HG2 ARG 114 1HG ARG 114 -13.550 3.690 6.117 873 HG3 ARG 114 2HG ARG 114 -11.849 4.152 5.915 874 HD2 ARG 114 1HD ARG 114 -12.844 6.572 6.396 875 HD3 ARG 114 2HD ARG 114 -14.071 5.635 7.233 876 HE ARG 114 HE ARG 114 -11.913 4.616 8.318 877 HH11 ARG 114 1HH1 ARG 114 -12.819 8.069 7.786 878 HH12 ARG 114 2HH1 ARG 114 -11.649 8.613 8.917 879 HH21 ARG 114 1HH2 ARG 114 -10.310 5.620 9.955 880 HH22 ARG 114 2HH2 ARG 114 -10.312 7.330 10.027 881 H LYS 115 H LYS 115 -15.230 4.520 1.629 882 HA LYS 115 HA LYS 115 -16.951 2.812 3.069 883 HB2 LYS 115 1HB LYS 115 -18.502 4.616 2.962 884 HB3 LYS 115 2HB LYS 115 -16.946 5.465 2.833 885 HG2 LYS 115 1HG LYS 115 -18.090 6.460 1.249 886 HG3 LYS 115 2HG LYS 115 -17.134 5.234 0.399 887 HD2 LYS 115 1HD LYS 115 -19.266 3.791 0.660 888 HD3 LYS 115 2HD LYS 115 -20.075 5.350 0.889 889 HE2 LYS 115 1HE LYS 115 -19.108 6.161 -1.150 890 HE3 LYS 115 2HE LYS 115 -18.245 4.602 -1.266 891 HZ1 LYS 115 1HZ LYS 115 -21.258 5.006 -1.498 892 HZ2 LYS 115 2HZ LYS 115 -20.490 3.550 -1.307 893 HZ3 LYS 115 3HZ LYS 115 -20.245 4.323 -2.690 894 H GLN 116 H GLN 116 -15.185 3.632 0.062 895 HA GLN 116 HA GLN 116 -16.952 2.338 -1.289 896 HB2 GLN 116 1HB GLN 116 -15.279 2.081 -3.213 897 HB3 GLN 116 2HB GLN 116 -15.546 3.703 -2.583 898 HG2 GLN 116 1HG GLN 116 -13.360 3.755 -2.585 899 HG3 GLN 116 2HG GLN 116 -13.622 2.967 -1.008 900 HE21 GLN 116 1HE2 GLN 116 -12.246 -0.140 -2.169 901 HE22 GLN 116 2HE2 GLN 116 -13.414 0.492 -1.099 902 H LEU 117 H LEU 117 -14.715 0.918 0.762 903 HA LEU 117 HA LEU 117 -15.273 -1.720 -0.038 904 HB2 LEU 117 1HB LEU 117 -13.322 -0.267 0.711 905 HB3 LEU 117 2HB LEU 117 -13.505 -1.112 2.159 906 HG LEU 117 HG LEU 117 -12.298 -1.857 0.302 907 HD11 LEU 117 1HD1 LEU 117 -14.443 -3.629 1.376 908 HD12 LEU 117 2HD1 LEU 117 -12.822 -3.307 2.106 909 HD13 LEU 117 3HD1 LEU 117 -12.945 -4.425 0.789 910 HD21 LEU 117 1HD2 LEU 117 -14.847 -2.863 -1.183 911 HD22 LEU 117 2HD2 LEU 117 -13.262 -3.280 -1.550 912 HD23 LEU 117 3HD2 LEU 117 -13.714 -1.591 -1.622 913 H GLU 118 H GLU 118 -17.031 0.585 1.507 914 HA GLU 118 HA GLU 118 -18.163 -1.525 2.852 915 HB2 GLU 118 1HB GLU 118 -18.675 1.446 3.001 916 HB3 GLU 118 2HB GLU 118 -19.905 0.338 3.575 917 HG2 GLU 118 1HG GLU 118 -17.083 0.464 4.614 918 HG3 GLU 118 2HG GLU 118 -18.474 1.236 5.369 919 H GLU 119 H GLU 119 -17.880 -0.645 0.002 920 HA GLU 119 HA GLU 119 -20.547 -0.732 -0.856 921 HB2 GLU 119 1HB GLU 119 -17.968 -0.926 -2.335 922 HB3 GLU 119 2HB GLU 119 -19.541 -0.789 -3.170 923 HG2 GLU 119 1HG GLU 119 -18.453 0.946 -1.182 924 HG3 GLU 119 2HG GLU 119 -18.059 1.282 -2.894 925 H ALA 120 H ALA 120 -17.426 -2.408 -0.619 926 HA ALA 120 HA ALA 120 -18.507 -4.783 -1.578 927 HB1 ALA 120 1HB ALA 120 -16.311 -5.445 -1.704 928 HB2 ALA 120 2HB ALA 120 -15.892 -4.154 -0.495 929 HB3 ALA 120 3HB ALA 120 -16.414 -3.718 -2.100 930 H LYS 121 H LYS 121 -17.225 -3.870 1.404 931 HA LYS 121 HA LYS 121 -17.577 -6.169 2.906 932 HB2 LYS 121 1HB LYS 121 -17.186 -3.392 3.178 933 HB3 LYS 121 2HB LYS 121 -17.792 -4.206 4.684 934 HG2 LYS 121 1HG LYS 121 -16.007 -5.558 4.353 935 HG3 LYS 121 2HG LYS 121 -15.616 -4.785 2.858 936 HD2 LYS 121 1HD LYS 121 -14.203 -3.906 4.962 937 HD3 LYS 121 2HD LYS 121 -14.905 -3.057 3.551 938 HE2 LYS 121 1HE LYS 121 -15.246 -1.718 5.600 939 HE3 LYS 121 2HE LYS 121 -16.647 -2.278 4.667 940 HZ1 LYS 121 1HZ LYS 121 -17.077 -2.305 6.921 941 HZ2 LYS 121 2HZ LYS 121 -15.840 -3.398 7.317 942 HZ3 LYS 121 3HZ LYS 121 -17.184 -3.862 6.338 943 H ALA 122 H ALA 122 -19.456 -3.552 3.071 944 HA ALA 122 HA ALA 122 -21.476 -4.555 4.364 945 HB1 ALA 122 1HB ALA 122 -20.920 -2.394 3.863 946 HB2 ALA 122 2HB ALA 122 -22.693 -2.750 3.658 947 HB3 ALA 122 3HB ALA 122 -21.570 -2.653 2.235 948 H ARG 123 H ARG 123 -20.623 -5.372 1.067 949 HA ARG 123 HA ARG 123 -23.228 -5.938 0.386 950 HB2 ARG 123 1HB ARG 123 -22.434 -5.804 -1.776 951 HB3 ARG 123 2HB ARG 123 -20.930 -5.375 -0.904 952 HG2 ARG 123 1HG ARG 123 -20.351 -7.706 -0.809 953 HG3 ARG 123 2HG ARG 123 -21.665 -8.110 -1.933 954 HD2 ARG 123 1HD ARG 123 -20.588 -6.547 -3.574 955 HD3 ARG 123 2HD ARG 123 -19.396 -6.307 -2.259 956 HE ARG 123 HE ARG 123 -19.217 -8.927 -2.575 957 HH11 ARG 123 1HH1 ARG 123 -19.136 -6.452 -5.099 958 HH12 ARG 123 2HH1 ARG 123 -18.032 -7.323 -6.078 959 HH21 ARG 123 1HH2 ARG 123 -17.790 -10.018 -3.790 960 HH22 ARG 123 2HH2 ARG 123 -17.180 -9.479 -5.296 961 H VAL 124 H VAL 124 -20.599 -7.103 1.682 962 HA VAL 124 HA VAL 124 -20.704 -9.823 0.777 963 HB VAL 124 HB VAL 124 -18.916 -8.446 2.636 964 HG11 VAL 124 1HG1 VAL 124 -18.991 -10.693 3.194 965 HG12 VAL 124 2HG1 VAL 124 -17.421 -10.388 2.364 966 HG13 VAL 124 3HG1 VAL 124 -18.805 -11.169 1.495 967 HG21 VAL 124 1HG2 VAL 124 -18.497 -9.292 -0.193 968 HG22 VAL 124 2HG2 VAL 124 -17.237 -8.609 0.886 969 HG23 VAL 124 3HG2 VAL 124 -18.695 -7.684 0.527 970 H GLN 125 H GLN 125 -20.417 -8.122 3.399 971 HA GLN 125 HA GLN 125 -20.674 -8.288 5.561 972 HB2 GLN 125 1HB GLN 125 -21.696 -7.496 3.975 973 HB3 GLN 125 2HB GLN 125 -21.943 -6.703 4.899 974 HG2 GLN 125 1HG GLN 125 -23.557 -7.013 3.192 975 HG3 GLN 125 2HG GLN 125 -23.428 -8.754 3.278 976 HE21 GLN 125 1HE2 GLN 125 -26.384 -6.570 5.009 977 HE22 GLN 125 2HE2 GLN 125 -25.032 -5.893 4.149 978 H ALA 126 H ALA 126 -23.494 -10.130 4.487 979 HA ALA 126 HA ALA 126 -24.138 -11.474 6.613 980 HB1 ALA 126 1HB ALA 126 -25.601 -12.318 5.335 981 HB2 ALA 126 2HB ALA 126 -24.459 -12.666 3.998 982 HB3 ALA 126 3HB ALA 126 -25.013 -10.990 4.283 983 H GLN 127 H GLN 127 -22.516 -13.189 3.649 984 HA GLN 127 HA GLN 127 -21.180 -14.783 5.384 985 HB2 GLN 127 1HB GLN 127 -22.986 -14.763 3.242 986 HB3 GLN 127 2HB GLN 127 -21.605 -15.729 2.945 987 HG2 GLN 127 1HG GLN 127 -23.658 -15.733 5.105 988 HG3 GLN 127 2HG GLN 127 -23.434 -17.082 3.971 989 HE21 GLN 127 1HE2 GLN 127 -21.315 -16.852 7.430 990 HE22 GLN 127 2HE2 GLN 127 -22.358 -15.572 6.918 991 H ARG 128 H ARG 128 -19.052 -14.433 5.116 992 HA ARG 128 HA ARG 128 -17.895 -13.004 3.311 993 HB2 ARG 128 1HB ARG 128 -16.846 -15.218 4.958 994 HB3 ARG 128 2HB ARG 128 -15.999 -14.554 3.538 995 HG2 ARG 128 1HG ARG 128 -17.033 -12.691 5.534 996 HG3 ARG 128 2HG ARG 128 -15.443 -13.472 5.861 997 HD2 ARG 128 1HD ARG 128 -16.440 -11.825 3.629 998 HD3 ARG 128 2HD ARG 128 -15.164 -11.329 4.749 999 HE ARG 128 HE ARG 128 -13.853 -13.257 3.692 1000 HH11 ARG 128 1HH1 ARG 128 -16.190 -11.359 1.804 1001 HH12 ARG 128 2HH1 ARG 128 -15.599 -11.791 0.293 1002 HH21 ARG 128 1HH2 ARG 128 -12.963 -13.831 1.589 1003 HH22 ARG 128 2HH2 ARG 128 -13.640 -13.209 0.176 1004 H ALA 129 H ALA 129 -18.997 -16.214 2.957 1005 HA ALA 129 HA ALA 129 -17.565 -17.051 0.886 1006 HB1 ALA 129 1HB ALA 129 -20.356 -17.771 1.551 1007 HB2 ALA 129 2HB ALA 129 -18.777 -18.483 2.080 1008 HB3 ALA 129 3HB ALA 129 -19.239 -18.516 0.365 1009 H GLU 130 H GLU 130 -17.357 -15.970 -0.862 1010 HA GLU 130 HA GLU 130 -19.140 -15.674 -2.786 1011 HB2 GLU 130 1HB GLU 130 -19.254 -13.081 -3.026 1012 HB3 GLU 130 2HB GLU 130 -20.277 -13.808 -1.814 1013 HG2 GLU 130 1HG GLU 130 -19.476 -12.024 -0.591 1014 HG3 GLU 130 2HG GLU 130 -18.212 -13.214 -0.273 1015 H GLN 131 H GLN 131 -16.462 -13.583 -1.791 1016 HA GLN 131 HA GLN 131 -14.936 -14.805 -3.979 1017 HB2 GLN 131 1HB GLN 131 -14.443 -12.172 -2.560 1018 HB3 GLN 131 2HB GLN 131 -13.483 -12.809 -3.886 1019 HG2 GLN 131 1HG GLN 131 -15.351 -12.580 -5.405 1020 HG3 GLN 131 2HG GLN 131 -16.396 -12.071 -4.083 1021 HE21 GLN 131 1HE2 GLN 131 -14.189 -9.020 -3.852 1022 HE22 GLN 131 2HE2 GLN 131 -14.377 -10.423 -2.859 1023 H GLN 132 H GLN 132 -14.732 -16.566 -2.533 1024 HA GLN 132 HA GLN 132 -12.968 -16.145 -0.273 1025 HB2 GLN 132 1HB GLN 132 -15.354 -17.797 -0.610 1026 HB3 GLN 132 2HB GLN 132 -13.883 -18.535 0.079 1027 HG2 GLN 132 1HG GLN 132 -15.272 -16.098 1.142 1028 HG3 GLN 132 2HG GLN 132 -15.380 -17.720 1.820 1029 HE21 GLN 132 1HE2 GLN 132 -12.129 -17.721 3.201 1030 HE22 GLN 132 2HE2 GLN 132 -13.403 -18.702 2.637 1031 H ALA 133 H ALA 133 -11.799 -18.254 0.323 1032 HA ALA 133 HA ALA 133 -11.036 -19.943 -1.780 1033 HB1 ALA 133 1HB ALA 133 -9.130 -18.063 -0.348 1034 HB2 ALA 133 2HB ALA 133 -9.455 -18.112 -2.086 1035 HB3 ALA 133 3HB ALA 133 -8.647 -19.469 -1.303
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