NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
1612 | 1aqs | cing | 1-original | 8 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H GLN 1 2H GLN 1 13.472 6.494 -9.627 2 2H GLN 1 1H GLN 1 13.299 7.949 -10.487 3 3H GLN 1 3H GLN 1 14.845 7.308 -10.208 4 HA GLN 1 HA GLN 1 14.817 7.855 -7.946 5 1HB GLN 1 2HB GLN 1 14.331 10.259 -8.077 6 2HB GLN 1 1HB GLN 1 15.059 9.716 -9.589 7 1HG GLN 1 2HG GLN 1 13.135 10.032 -10.787 8 2HG GLN 1 1HG GLN 1 12.099 9.553 -9.442 9 1HE2 GLN 1 2HE2 GLN 1 11.359 13.069 -9.433 10 2HE2 GLN 1 1HE2 GLN 1 10.826 11.574 -10.036 11 H ASN 2 H ASN 2 11.658 7.517 -9.359 12 HA ASN 2 HA ASN 2 10.429 7.753 -6.630 13 1HB ASN 2 2HB ASN 2 9.807 9.531 -8.259 14 2HB ASN 2 1HB ASN 2 9.225 8.286 -9.366 15 1HD2 ASN 2 2HD2 ASN 2 6.292 7.570 -7.426 16 2HD2 ASN 2 1HD2 ASN 2 7.378 6.903 -8.548 17 H GLU 3 H GLU 3 9.927 5.715 -5.923 18 HA GLU 3 HA GLU 3 8.622 3.837 -7.845 19 1HB GLU 3 2HB GLU 3 11.277 3.694 -7.048 20 2HB GLU 3 1HB GLU 3 10.470 2.575 -5.948 21 1HG GLU 3 2HG GLU 3 9.372 1.507 -7.935 22 2HG GLU 3 1HG GLU 3 10.349 2.543 -8.976 23 H GLY 4 H GLY 4 9.762 3.716 -4.453 24 1HA GLY 4 2HA GLY 4 7.025 2.825 -3.669 25 2HA GLY 4 1HA GLY 4 8.497 2.522 -2.743 26 H HIS 5 H HIS 5 6.367 3.623 -1.386 27 HA HIS 5 HA HIS 5 7.453 6.324 -0.770 28 1HB HIS 5 2HB HIS 5 4.800 6.846 -0.587 29 2HB HIS 5 1HB HIS 5 5.732 7.152 -2.048 30 HD1 HIS 5 HD1 HIS 5 2.873 5.237 -0.786 31 HD2 HIS 5 HD2 HIS 5 5.495 4.930 -4.013 32 HE1 HIS 5 HE1 HIS 5 1.784 3.679 -2.462 33 H GLU 6 H GLU 6 4.346 5.167 0.339 34 HA GLU 6 HA GLU 6 5.439 3.958 2.783 35 1HB GLU 6 2HB GLU 6 4.767 6.780 2.537 36 2HB GLU 6 1HB GLU 6 3.802 6.000 3.791 37 1HG GLU 6 2HG GLU 6 5.984 4.987 4.651 38 2HG GLU 6 1HG GLU 6 6.816 6.106 3.571 39 H CYS 7 HN CNP 7 4.044 2.168 2.273 40 HA CYS 7 HA CNP 7 1.243 2.558 1.759 41 1HB CYS 7 2HB CNP 7 1.992 0.703 0.731 42 2HB CYS 7 1HB CNP 7 3.226 0.351 1.876 43 H GLN 8 H GLN 8 0.561 3.699 3.639 44 HA GLN 8 HA GLN 8 0.840 2.365 6.259 45 1HB GLN 8 2HB GLN 8 -0.236 4.926 5.126 46 2HB GLN 8 1HB GLN 8 -0.949 4.353 6.635 47 1HG GLN 8 2HG GLN 8 2.016 4.777 6.150 48 2HG GLN 8 1HG GLN 8 0.966 5.861 7.063 49 1HE2 GLN 8 2HE2 GLN 8 2.231 2.363 8.766 50 2HE2 GLN 8 1HE2 GLN 8 2.503 2.655 7.116 51 H CYS 9 HN CCU 9 -0.532 1.380 3.619 52 HA CYS 9 HA CCU 9 -3.299 1.290 3.774 53 1HB CYS 9 2HB CCU 9 -1.271 -0.816 3.017 54 2HB CYS 9 1HB CCU 9 -2.952 -0.797 2.560 55 H GLN 10 H GLN 10 -4.699 0.435 5.058 56 HA GLN 10 HA GLN 10 -3.836 -1.523 7.154 57 1HB GLN 10 2HB GLN 10 -4.728 0.885 7.682 58 2HB GLN 10 1HB GLN 10 -6.300 0.230 7.223 59 1HG GLN 10 2HG GLN 10 -5.431 -1.733 8.886 60 2HG GLN 10 1HG GLN 10 -4.643 -0.333 9.616 61 1HE2 GLN 10 2HE2 GLN 10 -8.347 -0.852 10.673 62 2HE2 GLN 10 1HE2 GLN 10 -7.176 -2.036 10.349 63 H CYS 11 HN CNP 11 -4.947 -1.583 4.209 64 HA CYS 11 HA CNP 11 -7.530 -2.636 4.085 65 1HB CYS 11 2HB CNP 11 -5.011 -3.351 2.562 66 2HB CYS 11 1HB CNP 11 -6.648 -3.547 1.994 67 H GLY 12 H GLY 12 -6.938 -5.212 2.860 68 1HA GLY 12 2HA GLY 12 -6.496 -6.829 5.332 69 2HA GLY 12 1HA GLY 12 -7.521 -7.337 3.985 70 H SER 13 H SER 13 -5.394 -6.121 2.148 71 HA SER 13 HA SER 13 -3.602 -8.510 2.169 72 1HB SER 13 2HB SER 13 -4.884 -8.355 0.158 73 2HB SER 13 1HB SER 13 -4.625 -6.616 0.047 74 HG SER 13 HG SER 13 -3.054 -8.699 -0.782 75 H CYS 14 HN CCU 14 -3.594 -5.402 3.185 76 HA CYS 14 HA CCU 14 -0.831 -4.801 2.356 77 1HB CYS 14 2HB CCU 14 -3.269 -3.358 3.222 78 2HB CYS 14 1HB CCU 14 -1.727 -2.635 3.602 79 H LYS 15 H LYS 15 -2.928 -5.290 5.012 80 HA LYS 15 HA LYS 15 -1.048 -4.691 7.143 81 1HB LYS 15 2HB LYS 15 -3.779 -5.827 6.798 82 2HB LYS 15 1HB LYS 15 -2.947 -6.227 8.301 83 1HG LYS 15 2HG LYS 15 -2.465 -3.487 7.899 84 2HG LYS 15 1HG LYS 15 -4.168 -3.722 7.506 85 1HD LYS 15 2HD LYS 15 -4.440 -3.533 9.766 86 2HD LYS 15 1HD LYS 15 -3.982 -5.236 9.752 87 1HE LYS 15 2HE LYS 15 -1.574 -3.685 9.696 88 2HE LYS 15 1HE LYS 15 -2.600 -3.080 11.013 89 1HZ LYS 15 3HZ LYS 15 -2.217 -5.974 10.519 90 2HZ LYS 15 2HZ LYS 15 -1.175 -5.096 11.533 91 3HZ LYS 15 1HZ LYS 15 -2.828 -5.219 11.910 92 H ASN 16 H ASN 16 -1.862 -7.586 5.301 93 HA ASN 16 HA ASN 16 -0.269 -9.302 7.131 94 1HB ASN 16 2HB ASN 16 -2.007 -9.768 4.693 95 2HB ASN 16 1HB ASN 16 -1.134 -11.066 5.511 96 1HD2 ASN 16 2HD2 ASN 16 -3.988 -11.420 7.574 97 2HD2 ASN 16 1HD2 ASN 16 -2.984 -12.142 6.412 98 H ASN 17 H ASN 17 0.106 -7.510 4.214 99 HA ASN 17 HA ASN 17 2.503 -9.121 3.426 100 1HB ASN 17 2HB ASN 17 0.474 -7.408 2.071 101 2HB ASN 17 1HB ASN 17 2.107 -7.377 1.403 102 1HD2 ASN 17 2HD2 ASN 17 -0.223 -10.645 0.846 103 2HD2 ASN 17 1HD2 ASN 17 -0.793 -9.281 1.681 104 H GLU 18 H GLU 18 4.062 -8.232 4.874 105 HA GLU 18 HA GLU 18 4.337 -5.310 5.113 106 1HB GLU 18 2HB GLU 18 5.995 -5.900 6.769 107 2HB GLU 18 1HB GLU 18 4.634 -7.008 6.963 108 1HG GLU 18 2HG GLU 18 6.030 -8.457 5.218 109 2HG GLU 18 1HG GLU 18 7.375 -7.539 5.896 110 H GLN 19 H GLN 19 5.136 -7.364 2.728 111 HA GLN 19 HA GLN 19 7.899 -6.441 2.266 112 1HB GLN 19 2HB GLN 19 6.076 -8.536 1.332 113 2HB GLN 19 1HB GLN 19 7.016 -7.819 0.022 114 1HG GLN 19 2HG GLN 19 9.000 -8.630 0.819 115 2HG GLN 19 1HG GLN 19 8.520 -8.434 2.505 116 1HE2 GLN 19 2HE2 GLN 19 7.809 -11.973 0.600 117 2HE2 GLN 19 1HE2 GLN 19 8.387 -10.633 -0.267 118 H CYS 20 HN CCU 20 4.929 -5.107 1.820 119 HA CYS 20 HA CCU 20 5.855 -3.513 -0.519 120 1HB CYS 20 2HB CCU 20 3.576 -3.609 -1.320 121 2HB CYS 20 1HB CCU 20 4.099 -5.252 -1.000 122 H GLN 21 H GLN 21 5.391 -3.363 2.673 123 HA GLN 21 HA GLN 21 3.639 -1.045 2.918 124 1HB GLN 21 2HB GLN 21 4.155 -1.256 5.247 125 2HB GLN 21 1HB GLN 21 4.132 -2.903 4.618 126 1HG GLN 21 2HG GLN 21 6.683 -2.521 4.208 127 2HG GLN 21 1HG GLN 21 6.501 -1.207 5.371 128 1HE2 GLN 21 2HE2 GLN 21 5.077 -4.077 7.586 129 2HE2 GLN 21 1HE2 GLN 21 4.211 -2.994 6.610 130 H LYS 22 H LYS 22 6.603 -1.337 1.590 131 HA LYS 22 HA LYS 22 7.392 1.440 2.360 132 1HB LYS 22 2HB LYS 22 8.777 -1.114 2.637 133 2HB LYS 22 1HB LYS 22 9.726 0.045 1.706 134 1HG LYS 22 2HG LYS 22 8.603 1.472 3.888 135 2HG LYS 22 1HG LYS 22 9.270 -0.024 4.543 136 1HD LYS 22 2HD LYS 22 11.352 0.797 4.341 137 2HD LYS 22 1HD LYS 22 11.111 1.006 2.606 138 1HE LYS 22 2HE LYS 22 9.963 3.196 3.086 139 2HE LYS 22 1HE LYS 22 10.422 3.003 4.789 140 1HZ LYS 22 3HZ LYS 22 12.713 2.419 3.472 141 2HZ LYS 22 2HZ LYS 22 12.066 3.667 2.515 142 3HZ LYS 22 1HZ LYS 22 12.353 3.923 4.169 143 H SER 23 H SER 23 6.316 -0.484 -0.050 144 HA SER 23 HA SER 23 7.249 1.344 -2.147 145 1HB SER 23 2HB SER 23 8.565 -1.162 -1.540 146 2HB SER 23 1HB SER 23 7.887 -1.211 -3.166 147 HG SER 23 HG SER 23 9.997 0.205 -2.188 148 H CYS 24 HN CNP 24 4.647 0.755 -1.172 149 HA CYS 24 HA CNP 24 3.358 -1.216 -2.870 150 1HB CYS 24 2HB CNP 24 1.685 -0.790 -1.332 151 2HB CYS 24 1HB CNP 24 2.999 -0.092 -0.463 152 H SER 25 H SER 25 1.423 -0.316 -4.305 153 HA SER 25 HA SER 25 2.526 2.016 -5.836 154 1HB SER 25 2HB SER 25 0.753 -0.310 -6.650 155 2HB SER 25 1HB SER 25 1.321 0.954 -7.739 156 HG SER 25 HG SER 25 3.174 -0.434 -6.157 157 H CYS 26 HN CCU 26 0.835 2.496 -3.552 158 HA CYS 26 HA CCU 26 -1.706 3.382 -4.865 159 1HB CYS 26 2HB CCU 26 -1.090 2.907 -1.937 160 2HB CYS 26 1HB CCU 26 -2.674 3.126 -2.669 161 HA PRO 27 HA PRO 27 -0.448 7.515 -3.959 162 1HB PRO 27 2HB PRO 27 -2.892 8.727 -4.061 163 2HB PRO 27 1HB PRO 27 -2.049 8.147 -5.510 164 1HG PRO 27 2HG PRO 27 -4.344 6.973 -4.064 165 2HG PRO 27 1HG PRO 27 -3.938 6.911 -5.783 166 1HD PRO 27 2HD PRO 27 -3.533 4.862 -3.938 167 2HD PRO 27 1HD PRO 27 -2.780 4.982 -5.541 168 H THR 28 H THR 28 -1.755 9.420 -2.487 169 HA THR 28 HA THR 28 -1.620 8.281 0.235 170 HB THR 28 HB THR 28 -0.560 10.474 -0.605 171 HG1 THR 28 HG1 THR 28 -2.320 10.834 1.573 172 1HG2 THR 28 2HG2 THR 28 -2.966 11.016 -1.638 173 2HG2 THR 28 1HG2 THR 28 -3.191 11.770 -0.061 174 3HG2 THR 28 3HG2 THR 28 -1.875 12.297 -1.110 175 H GLY 29 H GLY 29 -3.756 7.289 -1.146 176 1HA GLY 29 2HA GLY 29 -6.019 8.365 0.439 177 2HA GLY 29 1HA GLY 29 -6.247 8.113 -1.298 178 H CYS 30 HN CCU 30 -4.012 5.999 0.188 179 HA CYS 30 HA CCU 30 -5.942 3.745 -0.123 180 1HB CYS 30 2HB CCU 30 -3.535 4.069 -1.140 181 2HB CYS 30 1HB CCU 30 -3.005 3.496 0.439 182 H ASN 31 H ASN 31 -6.506 5.177 2.125 183 HA ASN 31 HA ASN 31 -5.172 3.764 4.398 184 1HB ASN 31 2HB ASN 31 -6.307 5.616 5.701 185 2HB ASN 31 1HB ASN 31 -5.143 6.183 4.502 186 1HD2 ASN 31 2HD2 ASN 31 -7.656 8.272 3.182 187 2HD2 ASN 31 1HD2 ASN 31 -6.082 8.143 3.803 188 H SER 32 H SER 32 -7.566 2.960 2.476 189 HA SER 32 HA SER 32 -9.170 1.739 4.652 190 1HB SER 32 2HB SER 32 -9.902 4.102 3.227 191 2HB SER 32 1HB SER 32 -10.972 2.809 2.696 192 HG SER 32 HG SER 32 -11.497 4.078 4.705 193 H ASP 33 H ASP 33 -10.103 -0.223 3.991 194 HA ASP 33 HA ASP 33 -9.031 -1.559 1.699 195 1HB ASP 33 2HB ASP 33 -10.564 -3.331 2.396 196 2HB ASP 33 1HB ASP 33 -9.866 -2.575 3.828 197 H ASP 34 H ASP 34 -9.526 -0.720 -0.330 198 HA ASP 34 HA ASP 34 -12.335 -0.720 -1.172 199 1HB ASP 34 2HB ASP 34 -12.049 1.527 -2.126 200 2HB ASP 34 1HB ASP 34 -11.821 1.542 -0.380 201 H LYS 35 H LYS 35 -10.973 0.778 -3.421 202 HA LYS 35 HA LYS 35 -10.408 -1.613 -5.011 203 1HB LYS 35 2HB LYS 35 -10.864 1.313 -5.485 204 2HB LYS 35 1HB LYS 35 -9.963 0.420 -6.711 205 1HG LYS 35 2HG LYS 35 -11.880 -1.300 -6.614 206 2HG LYS 35 1HG LYS 35 -12.785 -0.055 -5.751 207 1HD LYS 35 2HD LYS 35 -13.066 1.215 -7.618 208 2HD LYS 35 1HD LYS 35 -11.436 0.884 -8.205 209 1HE LYS 35 2HE LYS 35 -12.725 -0.273 -9.784 210 2HE LYS 35 1HE LYS 35 -12.431 -1.556 -8.595 211 1HZ LYS 35 2HZ LYS 35 -14.573 -0.071 -7.645 212 2HZ LYS 35 1HZ LYS 35 -14.886 -0.331 -9.294 213 3HZ LYS 35 3HZ LYS 35 -14.614 -1.651 -8.267 214 H CYS 36 HN CCU 36 -8.806 -0.868 -2.778 215 HA CYS 36 HA CCU 36 -6.386 0.457 -3.231 216 1HB CYS 36 2HB CCU 36 -6.815 -0.390 -1.079 217 2HB CYS 36 1HB CCU 36 -7.226 -1.990 -1.687 218 HA PRO 37 HA PRO 37 -4.910 -2.313 -6.478 219 1HB PRO 37 2HB PRO 37 -3.688 -0.350 -7.932 220 2HB PRO 37 1HB PRO 37 -5.427 -0.680 -8.041 221 1HG PRO 37 2HG PRO 37 -4.034 1.576 -6.804 222 2HG PRO 37 1HG PRO 37 -5.713 1.442 -7.337 223 1HD PRO 37 2HD PRO 37 -4.680 1.237 -4.670 224 2HD PRO 37 1HD PRO 37 -6.369 1.115 -5.205 225 H CYS 38 HN CCU 38 -3.582 -2.462 -4.107 226 HA CYS 38 HA CCU 38 -0.984 -1.255 -3.991 227 1HB CYS 38 2HB CCU 38 -2.568 -2.553 -2.307 228 2HB CYS 38 1HB CCU 38 -1.618 -3.933 -2.827 229 H GLY 39 H GLY 39 0.761 -3.331 -3.621 230 1HA GLY 39 2HA GLY 39 1.744 -3.884 -6.204 231 2HA GLY 39 1HA GLY 39 2.198 -4.796 -4.764 232 H ASN 40 HN ASN 40 0.317 -6.346 -4.018 233 HA ASN 40 HA ASN 40 -1.241 -7.453 -6.278 234 1HB ASN 40 2HB ASN 40 1.360 -8.295 -5.765 235 2HB ASN 40 1HB ASN 40 0.372 -9.507 -4.950 236 1HD2 ASN 40 2HD2 ASN 40 0.001 -9.106 -9.033 237 2HD2 ASN 40 1HD2 ASN 40 0.531 -7.778 -8.118 Start of MODEL 2 1 1H GLN 1 1H GLN 1 12.679 7.508 -10.837 2 2H GLN 1 3H GLN 1 13.205 7.013 -12.371 3 3H GLN 1 2H GLN 1 12.244 8.405 -12.212 4 HA GLN 1 HA GLN 1 10.639 6.926 -12.869 5 1HB GLN 1 2HB GLN 1 10.860 4.526 -12.334 6 2HB GLN 1 1HB GLN 1 12.361 5.143 -13.027 7 1HG GLN 1 2HG GLN 1 12.174 5.382 -10.090 8 2HG GLN 1 1HG GLN 1 12.222 3.724 -10.693 9 1HE2 GLN 1 2HE2 GLN 1 15.600 5.910 -10.702 10 2HE2 GLN 1 1HE2 GLN 1 14.176 6.431 -9.941 11 H ASN 2 H ASN 2 8.844 5.707 -11.588 12 HA ASN 2 HA ASN 2 8.771 6.668 -8.746 13 1HB ASN 2 2HB ASN 2 7.440 7.823 -10.800 14 2HB ASN 2 1HB ASN 2 6.270 6.580 -10.357 15 1HD2 ASN 2 2HD2 ASN 2 6.130 7.954 -6.896 16 2HD2 ASN 2 1HD2 ASN 2 6.510 6.452 -7.589 17 H GLU 3 H GLU 3 8.985 4.652 -7.734 18 HA GLU 3 HA GLU 3 7.361 2.364 -8.712 19 1HB GLU 3 2HB GLU 3 9.775 2.849 -7.065 20 2HB GLU 3 1HB GLU 3 8.773 1.492 -6.544 21 1HG GLU 3 2HG GLU 3 9.273 0.252 -8.386 22 2HG GLU 3 1HG GLU 3 9.212 1.650 -9.460 23 H GLY 4 H GLY 4 8.133 2.778 -5.323 24 1HA GLY 4 2HA GLY 4 5.244 3.275 -4.747 25 2HA GLY 4 1HA GLY 4 6.125 2.004 -3.907 26 H HIS 5 H HIS 5 5.652 3.133 -1.874 27 HA HIS 5 HA HIS 5 7.759 5.073 -1.215 28 1HB HIS 5 2HB HIS 5 5.730 6.594 -0.335 29 2HB HIS 5 1HB HIS 5 6.359 6.748 -1.972 30 HD1 HIS 5 HD1 HIS 5 3.934 4.162 -0.515 31 HD2 HIS 5 HD2 HIS 5 4.136 6.983 -3.563 32 HE1 HIS 5 HE1 HIS 5 1.789 3.944 -1.841 33 H GLU 6 H GLU 6 4.833 5.287 0.609 34 HA GLU 6 HA GLU 6 5.890 3.275 2.568 35 1HB GLU 6 2HB GLU 6 5.177 4.950 4.319 36 2HB GLU 6 1HB GLU 6 6.502 5.506 3.296 37 1HG GLU 6 2HG GLU 6 4.030 6.199 2.025 38 2HG GLU 6 1HG GLU 6 3.968 6.744 3.701 39 H CYS 7 HN CNP 7 4.275 1.697 2.234 40 HA CYS 7 HA CNP 7 1.514 2.333 1.875 41 1HB CYS 7 2HB CNP 7 2.068 0.341 0.892 42 2HB CYS 7 1HB CNP 7 3.302 -0.042 2.004 43 H GLN 8 H GLN 8 0.937 3.552 3.706 44 HA GLN 8 HA GLN 8 1.234 2.317 6.380 45 1HB GLN 8 2HB GLN 8 0.966 4.925 5.310 46 2HB GLN 8 1HB GLN 8 -0.560 4.607 6.136 47 1HG GLN 8 2HG GLN 8 0.676 5.392 7.922 48 2HG GLN 8 1HG GLN 8 1.077 3.678 8.026 49 1HE2 GLN 8 2HE2 GLN 8 4.477 4.155 7.194 50 2HE2 GLN 8 1HE2 GLN 8 3.251 3.047 7.575 51 H CYS 9 HN CCU 9 -0.290 1.307 3.867 52 HA CYS 9 HA CCU 9 -3.067 1.484 4.123 53 1HB CYS 9 2HB CCU 9 -1.220 -0.746 3.290 54 2HB CYS 9 1HB CCU 9 -2.917 -0.662 2.927 55 H GLN 10 H GLN 10 -4.489 0.712 5.450 56 HA GLN 10 HA GLN 10 -3.683 -1.284 7.532 57 1HB GLN 10 2HB GLN 10 -4.595 1.191 7.953 58 2HB GLN 10 1HB GLN 10 -6.156 0.422 7.658 59 1HG GLN 10 2HG GLN 10 -5.269 -1.380 9.356 60 2HG GLN 10 1HG GLN 10 -4.187 -0.084 9.868 61 1HE2 GLN 10 2HE2 GLN 10 -6.701 1.555 11.699 62 2HE2 GLN 10 1HE2 GLN 10 -5.046 1.353 11.382 63 H CYS 11 HN CNP 11 -4.861 -1.286 4.574 64 HA CYS 11 HA CNP 11 -7.457 -2.320 4.524 65 1HB CYS 11 2HB CNP 11 -5.031 -3.068 2.874 66 2HB CYS 11 1HB CNP 11 -6.699 -3.168 2.382 67 H GLY 12 H GLY 12 -7.047 -4.867 3.274 68 1HA GLY 12 2HA GLY 12 -6.446 -6.540 5.671 69 2HA GLY 12 1HA GLY 12 -7.583 -6.996 4.400 70 H SER 13 H SER 13 -5.651 -5.869 2.365 71 HA SER 13 HA SER 13 -3.934 -8.297 2.197 72 1HB SER 13 2HB SER 13 -5.054 -8.125 0.181 73 2HB SER 13 1HB SER 13 -5.233 -6.379 0.322 74 HG SER 13 HG SER 13 -3.737 -6.840 -1.285 75 H CYS 14 HN CCU 14 -3.712 -5.251 3.370 76 HA CYS 14 HA CCU 14 -0.967 -4.746 2.434 77 1HB CYS 14 2HB CCU 14 -3.283 -3.234 3.476 78 2HB CYS 14 1HB CCU 14 -1.694 -2.612 3.846 79 H LYS 15 H LYS 15 -2.937 -5.292 5.179 80 HA LYS 15 HA LYS 15 -0.980 -4.868 7.253 81 1HB LYS 15 2HB LYS 15 -2.639 -5.957 8.651 82 2HB LYS 15 1HB LYS 15 -3.499 -4.977 7.464 83 1HG LYS 15 2HG LYS 15 -3.746 -7.016 6.032 84 2HG LYS 15 1HG LYS 15 -3.012 -7.966 7.325 85 1HD LYS 15 2HD LYS 15 -5.592 -6.382 7.478 86 2HD LYS 15 1HD LYS 15 -5.423 -8.136 7.537 87 1HE LYS 15 2HE LYS 15 -4.206 -7.992 9.657 88 2HE LYS 15 1HE LYS 15 -4.253 -6.219 9.587 89 1HZ LYS 15 3HZ LYS 15 -6.789 -7.586 9.206 90 2HZ LYS 15 2HZ LYS 15 -6.142 -7.667 10.775 91 3HZ LYS 15 1HZ LYS 15 -6.447 -6.159 10.056 92 H ASN 16 H ASN 16 -1.924 -7.711 5.341 93 HA ASN 16 HA ASN 16 -0.083 -9.488 6.803 94 1HB ASN 16 2HB ASN 16 -1.936 -9.719 4.420 95 2HB ASN 16 1HB ASN 16 -0.899 -11.053 4.926 96 1HD2 ASN 16 2HD2 ASN 16 -4.323 -10.394 6.914 97 2HD2 ASN 16 1HD2 ASN 16 -3.945 -9.626 5.448 98 H ASN 17 H ASN 17 -0.390 -8.585 3.339 99 HA ASN 17 HA ASN 17 2.239 -9.437 2.603 100 1HB ASN 17 2HB ASN 17 -0.072 -8.123 1.479 101 2HB ASN 17 1HB ASN 17 1.389 -7.286 0.951 102 1HD2 ASN 17 2HD2 ASN 17 2.627 -10.078 -0.922 103 2HD2 ASN 17 1HD2 ASN 17 3.096 -8.660 -0.115 104 H GLU 18 H GLU 18 3.665 -8.550 4.259 105 HA GLU 18 HA GLU 18 3.842 -5.625 4.543 106 1HB GLU 18 2HB GLU 18 5.509 -6.229 6.246 107 2HB GLU 18 1HB GLU 18 4.057 -7.212 6.438 108 1HG GLU 18 2HG GLU 18 5.566 -8.687 4.646 109 2HG GLU 18 1HG GLU 18 6.781 -8.038 5.749 110 H GLN 19 H GLN 19 4.850 -7.641 2.206 111 HA GLN 19 HA GLN 19 7.638 -6.818 1.930 112 1HB GLN 19 2HB GLN 19 5.701 -8.109 -0.018 113 2HB GLN 19 1HB GLN 19 7.456 -8.070 -0.187 114 1HG GLN 19 2HG GLN 19 7.780 -9.689 1.396 115 2HG GLN 19 1HG GLN 19 6.426 -9.139 2.383 116 1HE2 GLN 19 2HE2 GLN 19 5.729 -11.831 -0.643 117 2HE2 GLN 19 1HE2 GLN 19 7.159 -10.916 -0.653 118 H CYS 20 HN CCU 20 4.861 -5.119 1.592 119 HA CYS 20 HA CCU 20 6.036 -3.344 -0.496 120 1HB CYS 20 2HB CCU 20 3.746 -3.109 -1.347 121 2HB CYS 20 1HB CCU 20 4.225 -4.797 -1.369 122 H GLN 21 H GLN 21 5.814 -3.322 2.596 123 HA GLN 21 HA GLN 21 3.915 -1.191 3.188 124 1HB GLN 21 2HB GLN 21 6.287 -2.184 4.799 125 2HB GLN 21 1HB GLN 21 4.842 -1.389 5.422 126 1HG GLN 21 2HG GLN 21 4.332 -3.816 3.809 127 2HG GLN 21 1HG GLN 21 5.166 -4.095 5.336 128 1HE2 GLN 21 2HE2 GLN 21 1.568 -2.143 5.706 129 2HE2 GLN 21 1HE2 GLN 21 2.671 -1.635 4.521 130 H LYS 22 H LYS 22 6.702 -1.120 1.482 131 HA LYS 22 HA LYS 22 7.169 1.747 2.130 132 1HB LYS 22 2HB LYS 22 9.583 1.326 2.290 133 2HB LYS 22 1HB LYS 22 8.729 0.317 3.456 134 1HG LYS 22 2HG LYS 22 9.524 -1.553 2.493 135 2HG LYS 22 1HG LYS 22 8.895 -1.052 0.923 136 1HD LYS 22 2HD LYS 22 10.888 -0.079 0.275 137 2HD LYS 22 1HD LYS 22 11.368 0.290 1.932 138 1HE LYS 22 2HE LYS 22 11.122 -2.601 1.210 139 2HE LYS 22 1HE LYS 22 12.522 -1.713 0.575 140 1HZ LYS 22 1HZ LYS 22 11.663 -1.499 3.402 141 2HZ LYS 22 3HZ LYS 22 12.770 -2.676 2.890 142 3HZ LYS 22 2HZ LYS 22 13.145 -1.029 2.716 143 H SER 23 H SER 23 6.305 -0.336 -0.150 144 HA SER 23 HA SER 23 7.523 1.271 -2.332 145 1HB SER 23 2HB SER 23 8.348 -1.356 -1.521 146 2HB SER 23 1HB SER 23 7.593 -1.474 -3.108 147 HG SER 23 HG SER 23 8.998 0.574 -3.421 148 H CYS 24 HN CNP 24 4.784 0.740 -1.079 149 HA CYS 24 HA CNP 24 3.278 -0.737 -3.080 150 1HB CYS 24 2HB CNP 24 1.730 -0.591 -1.378 151 2HB CYS 24 1HB CNP 24 3.124 -0.153 -0.462 152 H SER 25 H SER 25 2.109 0.217 -4.807 153 HA SER 25 HA SER 25 2.753 3.063 -5.386 154 1HB SER 25 2HB SER 25 1.533 0.784 -6.976 155 2HB SER 25 1HB SER 25 1.838 2.388 -7.636 156 HG SER 25 HG SER 25 3.881 0.977 -6.313 157 H CYS 26 HN CCU 26 0.980 3.139 -3.350 158 HA CYS 26 HA CCU 26 -1.726 3.463 -4.589 159 1HB CYS 26 2HB CCU 26 -0.767 3.191 -1.723 160 2HB CYS 26 1HB CCU 26 -2.454 3.352 -2.205 161 HA PRO 27 HA PRO 27 -1.277 7.824 -4.155 162 1HB PRO 27 2HB PRO 27 -3.917 8.537 -4.110 163 2HB PRO 27 1HB PRO 27 -3.089 8.004 -5.587 164 1HG PRO 27 2HG PRO 27 -4.936 6.507 -3.807 165 2HG PRO 27 1HG PRO 27 -4.754 6.435 -5.565 166 1HD PRO 27 2HD PRO 27 -3.732 4.573 -3.818 167 2HD PRO 27 1HD PRO 27 -3.101 4.872 -5.452 168 H THR 28 H THR 28 -2.585 9.637 -2.685 169 HA THR 28 HA THR 28 -2.232 8.662 0.087 170 HB THR 28 HB THR 28 -1.201 10.781 -0.747 171 HG1 THR 28 HG1 THR 28 -1.730 10.603 1.449 172 1HG2 THR 28 3HG2 THR 28 -4.078 11.367 -1.327 173 2HG2 THR 28 2HG2 THR 28 -3.017 12.702 -0.875 174 3HG2 THR 28 1HG2 THR 28 -2.646 11.722 -2.293 175 H GLY 29 H GLY 29 -4.406 7.579 -1.191 176 1HA GLY 29 2HA GLY 29 -6.616 8.638 0.483 177 2HA GLY 29 1HA GLY 29 -6.922 8.321 -1.232 178 H CYS 30 HN CCU 30 -4.559 6.328 0.227 179 HA CYS 30 HA CCU 30 -6.353 3.979 -0.031 180 1HB CYS 30 2HB CCU 30 -3.875 4.448 -0.848 181 2HB CYS 30 1HB CCU 30 -3.473 3.892 0.774 182 H ASN 31 H ASN 31 -7.190 5.434 2.107 183 HA ASN 31 HA ASN 31 -5.895 4.333 4.553 184 1HB ASN 31 2HB ASN 31 -8.002 6.441 4.000 185 2HB ASN 31 1HB ASN 31 -7.497 5.983 5.627 186 1HD2 ASN 31 2HD2 ASN 31 -4.152 7.350 5.162 187 2HD2 ASN 31 1HD2 ASN 31 -4.920 5.999 5.844 188 H SER 32 H SER 32 -7.918 3.030 2.470 189 HA SER 32 HA SER 32 -9.373 1.494 4.527 190 1HB SER 32 2HB SER 32 -11.467 2.123 2.901 191 2HB SER 32 1HB SER 32 -11.087 3.005 4.377 192 HG SER 32 HG SER 32 -10.429 3.628 1.698 193 H ASP 33 H ASP 33 -10.613 -0.332 3.438 194 HA ASP 33 HA ASP 33 -8.988 -1.529 1.330 195 1HB ASP 33 2HB ASP 33 -10.723 -3.352 1.614 196 2HB ASP 33 1HB ASP 33 -9.924 -2.872 3.113 197 H ASP 34 H ASP 34 -9.268 -0.352 -0.620 198 HA ASP 34 HA ASP 34 -11.986 -0.338 -1.788 199 1HB ASP 34 2HB ASP 34 -10.844 1.850 -0.918 200 2HB ASP 34 1HB ASP 34 -9.886 1.684 -2.389 201 H LYS 35 H LYS 35 -10.385 0.882 -3.993 202 HA LYS 35 HA LYS 35 -9.838 -1.630 -5.391 203 1HB LYS 35 2HB LYS 35 -9.455 1.235 -6.320 204 2HB LYS 35 1HB LYS 35 -9.623 -0.189 -7.346 205 1HG LYS 35 2HG LYS 35 -11.879 -0.181 -5.645 206 2HG LYS 35 1HG LYS 35 -11.692 1.476 -6.221 207 1HD LYS 35 2HD LYS 35 -12.727 0.772 -8.106 208 2HD LYS 35 1HD LYS 35 -11.204 -0.028 -8.495 209 1HE LYS 35 2HE LYS 35 -12.830 -1.763 -8.643 210 2HE LYS 35 1HE LYS 35 -12.114 -1.989 -7.035 211 1HZ LYS 35 2HZ LYS 35 -13.879 -0.373 -6.245 212 2HZ LYS 35 1HZ LYS 35 -14.654 -0.637 -7.734 213 3HZ LYS 35 3HZ LYS 35 -14.416 -1.930 -6.662 214 H CYS 36 HN CCU 36 -8.363 -0.765 -3.088 215 HA CYS 36 HA CCU 36 -5.824 0.340 -3.465 216 1HB CYS 36 2HB CCU 36 -6.699 -0.297 -1.314 217 2HB CYS 36 1HB CCU 36 -6.842 -1.982 -1.806 218 HA PRO 37 HA PRO 37 -4.397 -2.807 -6.393 219 1HB PRO 37 2HB PRO 37 -2.654 -1.156 -7.689 220 2HB PRO 37 1HB PRO 37 -4.394 -1.177 -8.032 221 1HG PRO 37 2HG PRO 37 -2.791 0.800 -6.538 222 2HG PRO 37 1HG PRO 37 -4.284 1.017 -7.460 223 1HD PRO 37 2HD PRO 37 -4.055 0.843 -4.666 224 2HD PRO 37 1HD PRO 37 -5.555 0.761 -5.613 225 H CYS 38 HN CCU 38 -3.416 -2.931 -3.783 226 HA CYS 38 HA CCU 38 -0.485 -2.576 -3.907 227 1HB CYS 38 2HB CCU 38 -2.370 -2.117 -2.110 228 2HB CYS 38 1HB CCU 38 -1.965 -3.742 -1.626 229 H GLY 39 H GLY 39 -2.337 -4.598 -5.096 230 1HA GLY 39 2HA GLY 39 -0.548 -6.920 -4.832 231 2HA GLY 39 1HA GLY 39 -2.199 -7.194 -4.277 232 H ASN 40 HN ASN 40 -3.806 -6.049 -6.062 233 HA ASN 40 HA ASN 40 -3.233 -7.555 -8.557 234 1HB ASN 40 2HB ASN 40 -5.390 -7.589 -7.109 235 2HB ASN 40 1HB ASN 40 -5.735 -6.024 -7.845 236 1HD2 ASN 40 2HD2 ASN 40 -6.495 -7.385 -11.041 237 2HD2 ASN 40 1HD2 ASN 40 -6.146 -5.967 -10.174 Start of MODEL 3 1 1H GLN 1 1H GLN 1 9.474 4.681 -12.266 2 2H GLN 1 3H GLN 1 10.658 5.881 -12.075 3 3H GLN 1 2H GLN 1 10.450 5.128 -13.583 4 HA GLN 1 HA GLN 1 11.448 3.161 -12.910 5 1HB GLN 1 2HB GLN 1 12.862 5.292 -13.012 6 2HB GLN 1 1HB GLN 1 12.813 5.292 -11.249 7 1HG GLN 1 2HG GLN 1 14.814 4.137 -11.789 8 2HG GLN 1 1HG GLN 1 13.658 2.865 -11.396 9 1HE2 GLN 1 2HE2 GLN 1 15.067 3.212 -15.209 10 2HE2 GLN 1 1HE2 GLN 1 15.451 4.380 -14.039 11 H ASN 2 H ASN 2 11.252 5.145 -9.920 12 HA ASN 2 HA ASN 2 10.377 2.674 -8.462 13 1HB ASN 2 2HB ASN 2 12.527 4.703 -7.815 14 2HB ASN 2 1HB ASN 2 11.860 3.623 -6.591 15 1HD2 ASN 2 2HD2 ASN 2 13.889 0.943 -7.605 16 2HD2 ASN 2 1HD2 ASN 2 12.951 1.667 -6.389 17 H GLU 3 H GLU 3 8.386 3.099 -7.600 18 HA GLU 3 HA GLU 3 7.821 5.893 -6.651 19 1HB GLU 3 2HB GLU 3 6.588 4.317 -8.634 20 2HB GLU 3 1HB GLU 3 5.487 4.270 -7.255 21 1HG GLU 3 2HG GLU 3 4.816 6.371 -7.688 22 2HG GLU 3 1HG GLU 3 6.477 6.948 -7.553 23 H GLY 4 H GLY 4 9.010 4.314 -4.800 24 1HA GLY 4 2HA GLY 4 6.843 3.002 -3.232 25 2HA GLY 4 1HA GLY 4 8.573 2.768 -2.974 26 H HIS 5 H HIS 5 6.897 3.439 -0.814 27 HA HIS 5 HA HIS 5 8.171 5.955 0.027 28 1HB HIS 5 2HB HIS 5 5.656 6.668 0.685 29 2HB HIS 5 1HB HIS 5 6.379 7.105 -0.860 30 HD1 HIS 5 HD1 HIS 5 3.559 5.261 0.598 31 HD2 HIS 5 HD2 HIS 5 5.605 5.236 -3.035 32 HE1 HIS 5 HE1 HIS 5 2.094 4.013 -1.050 33 H GLU 6 H GLU 6 5.155 4.967 1.442 34 HA GLU 6 HA GLU 6 6.446 3.221 3.447 35 1HB GLU 6 2HB GLU 6 6.076 6.053 3.760 36 2HB GLU 6 1HB GLU 6 5.004 5.220 4.886 37 1HG GLU 6 2HG GLU 6 6.977 3.822 5.607 38 2HG GLU 6 1HG GLU 6 8.001 4.869 4.622 39 H CYS 7 HN CNP 7 4.890 1.609 2.846 40 HA CYS 7 HA CNP 7 2.091 2.201 2.664 41 1HB CYS 7 2HB CNP 7 2.723 0.459 1.335 42 2HB CYS 7 1HB CNP 7 3.918 -0.140 2.401 43 H GLN 8 H GLN 8 1.791 3.185 4.760 44 HA GLN 8 HA GLN 8 2.075 1.473 7.147 45 1HB GLN 8 2HB GLN 8 1.675 4.262 6.480 46 2HB GLN 8 1HB GLN 8 0.377 3.738 7.553 47 1HG GLN 8 2HG GLN 8 3.358 3.546 8.050 48 2HG GLN 8 1HG GLN 8 2.181 4.500 8.953 49 1HE2 GLN 8 2HE2 GLN 8 2.715 0.591 9.870 50 2HE2 GLN 8 1HE2 GLN 8 3.633 1.354 8.662 51 H CYS 9 HN CCU 9 0.389 1.072 4.515 52 HA CYS 9 HA CCU 9 -2.345 1.238 4.897 53 1HB CYS 9 2HB CCU 9 -0.619 -0.904 3.657 54 2HB CYS 9 1HB CCU 9 -2.312 -0.636 3.334 55 H GLN 10 H GLN 10 -3.754 0.324 6.118 56 HA GLN 10 HA GLN 10 -3.024 -2.073 7.759 57 1HB GLN 10 2HB GLN 10 -4.485 0.486 8.251 58 2HB GLN 10 1HB GLN 10 -5.155 -0.955 9.019 59 1HG GLN 10 2HG GLN 10 -3.459 -1.070 10.513 60 2HG GLN 10 1HG GLN 10 -2.242 -0.793 9.267 61 1HE2 GLN 10 2HE2 GLN 10 -1.750 2.523 10.306 62 2HE2 GLN 10 1HE2 GLN 10 -1.115 1.121 9.591 63 H CYS 11 HN CNP 11 -4.224 -1.522 4.949 64 HA CYS 11 HA CNP 11 -6.944 -2.124 4.785 65 1HB CYS 11 2HB CNP 11 -4.646 -3.043 3.037 66 2HB CYS 11 1HB CNP 11 -6.299 -2.804 2.546 67 H GLY 12 H GLY 12 -6.750 -4.567 3.164 68 1HA GLY 12 2HA GLY 12 -6.640 -6.563 5.379 69 2HA GLY 12 1HA GLY 12 -7.639 -6.729 3.932 70 H SER 13 H SER 13 -5.255 -5.577 2.394 71 HA SER 13 HA SER 13 -3.762 -8.161 2.178 72 1HB SER 13 2HB SER 13 -4.646 -6.028 0.251 73 2HB SER 13 1HB SER 13 -3.285 -7.065 -0.165 74 HG SER 13 HG SER 13 -5.709 -8.143 0.792 75 H CYS 14 HN CCU 14 -3.452 -5.195 3.509 76 HA CYS 14 HA CCU 14 -0.623 -4.809 2.769 77 1HB CYS 14 2HB CCU 14 -2.918 -3.194 3.713 78 2HB CYS 14 1HB CCU 14 -1.322 -2.679 4.193 79 H LYS 15 H LYS 15 -2.818 -5.306 5.346 80 HA LYS 15 HA LYS 15 -1.104 -4.983 7.604 81 1HB LYS 15 2HB LYS 15 -3.749 -5.851 6.974 82 2HB LYS 15 1HB LYS 15 -3.031 -7.061 8.038 83 1HG LYS 15 2HG LYS 15 -2.492 -4.265 8.819 84 2HG LYS 15 1HG LYS 15 -4.188 -4.744 8.919 85 1HD LYS 15 2HD LYS 15 -2.651 -6.896 9.965 86 2HD LYS 15 1HD LYS 15 -2.041 -5.413 10.703 87 1HE LYS 15 2HE LYS 15 -4.465 -4.791 11.194 88 2HE LYS 15 1HE LYS 15 -4.890 -6.449 10.728 89 1HZ LYS 15 1HZ LYS 15 -2.619 -6.119 12.526 90 2HZ LYS 15 3HZ LYS 15 -4.153 -5.826 13.188 91 3HZ LYS 15 2HZ LYS 15 -3.804 -7.335 12.490 92 H ASN 16 H ASN 16 -1.798 -7.865 5.610 93 HA ASN 16 HA ASN 16 0.201 -9.423 7.173 94 1HB ASN 16 2HB ASN 16 -2.283 -9.973 6.092 95 2HB ASN 16 1HB ASN 16 -1.186 -10.687 4.909 96 1HD2 ASN 16 2HD2 ASN 16 -1.906 -12.936 7.984 97 2HD2 ASN 16 1HD2 ASN 16 -2.967 -11.896 7.163 98 H ASN 17 H ASN 17 -0.386 -8.134 3.921 99 HA ASN 17 HA ASN 17 1.993 -9.426 2.788 100 1HB ASN 17 2HB ASN 17 -0.354 -8.547 1.790 101 2HB ASN 17 1HB ASN 17 0.636 -7.120 1.477 102 1HD2 ASN 17 2HD2 ASN 17 1.158 -9.166 -1.518 103 2HD2 ASN 17 1HD2 ASN 17 -0.031 -8.156 -0.851 104 H GLU 18 H GLU 18 3.678 -8.558 4.197 105 HA GLU 18 HA GLU 18 4.090 -5.633 4.243 106 1HB GLU 18 2HB GLU 18 6.004 -6.322 5.702 107 2HB GLU 18 1HB GLU 18 4.459 -6.976 6.248 108 1HG GLU 18 2HG GLU 18 5.017 -9.133 5.691 109 2HG GLU 18 1HG GLU 18 6.006 -8.631 4.319 110 H GLN 19 H GLN 19 4.572 -7.859 1.954 111 HA GLN 19 HA GLN 19 7.336 -7.555 1.228 112 1HB GLN 19 2HB GLN 19 4.955 -8.876 0.333 113 2HB GLN 19 1HB GLN 19 5.696 -8.063 -1.046 114 1HG GLN 19 2HG GLN 19 7.845 -9.148 -0.555 115 2HG GLN 19 1HG GLN 19 7.136 -9.937 0.855 116 1HE2 GLN 19 2HE2 GLN 19 4.863 -11.837 -1.457 117 2HE2 GLN 19 1HE2 GLN 19 4.609 -10.695 -0.228 118 H CYS 20 HN CCU 20 4.829 -5.373 1.205 119 HA CYS 20 HA CCU 20 6.218 -3.646 -0.794 120 1HB CYS 20 2HB CCU 20 3.880 -2.907 -1.374 121 2HB CYS 20 1HB CCU 20 4.205 -4.589 -1.773 122 H GLN 21 H GLN 21 6.030 -3.888 2.325 123 HA GLN 21 HA GLN 21 4.588 -1.549 3.200 124 1HB GLN 21 2HB GLN 21 5.711 -3.814 4.298 125 2HB GLN 21 1HB GLN 21 6.798 -2.544 4.864 126 1HG GLN 21 2HG GLN 21 5.280 -1.973 6.410 127 2HG GLN 21 1HG GLN 21 4.160 -1.542 5.117 128 1HE2 GLN 21 2HE2 GLN 21 2.051 -4.269 5.786 129 2HE2 GLN 21 1HE2 GLN 21 2.255 -2.740 5.077 130 H LYS 22 H LYS 22 7.283 -1.678 1.341 131 HA LYS 22 HA LYS 22 8.265 0.939 2.395 132 1HB LYS 22 2HB LYS 22 9.665 -1.650 2.024 133 2HB LYS 22 1HB LYS 22 10.545 -0.224 1.473 134 1HG LYS 22 2HG LYS 22 9.874 0.797 3.774 135 2HG LYS 22 1HG LYS 22 9.568 -0.875 4.246 136 1HD LYS 22 2HD LYS 22 12.116 -0.550 2.840 137 2HD LYS 22 1HD LYS 22 12.034 0.393 4.329 138 1HE LYS 22 2HE LYS 22 11.769 -1.503 5.676 139 2HE LYS 22 1HE LYS 22 11.125 -2.480 4.342 140 1HZ LYS 22 3HZ LYS 22 13.877 -1.376 4.367 141 2HZ LYS 22 2HZ LYS 22 13.504 -2.939 4.919 142 3HZ LYS 22 1HZ LYS 22 13.234 -2.521 3.294 143 H SER 23 H SER 23 6.891 -0.604 -0.120 144 HA SER 23 HA SER 23 7.698 1.459 -2.045 145 1HB SER 23 2HB SER 23 8.977 -1.123 -1.908 146 2HB SER 23 1HB SER 23 8.103 -0.985 -3.430 147 HG SER 23 HG SER 23 10.370 0.262 -2.597 148 H CYS 24 HN CNP 24 5.192 0.788 -0.865 149 HA CYS 24 HA CNP 24 3.647 -0.906 -2.639 150 1HB CYS 24 2HB CNP 24 2.173 -0.641 -0.878 151 2HB CYS 24 1HB CNP 24 3.604 -0.100 -0.086 152 H SER 25 H SER 25 1.766 0.001 -3.895 153 HA SER 25 HA SER 25 2.497 2.649 -5.091 154 1HB SER 25 2HB SER 25 0.989 0.206 -6.065 155 2HB SER 25 1HB SER 25 1.029 1.715 -6.973 156 HG SER 25 HG SER 25 2.975 1.232 -7.588 157 H CYS 26 HN CCU 26 1.162 2.883 -2.699 158 HA CYS 26 HA CCU 26 -1.740 2.948 -3.066 159 1HB CYS 26 2HB CCU 26 0.275 3.656 -0.965 160 2HB CYS 26 1HB CCU 26 -1.374 4.258 -0.797 161 HA PRO 27 HA PRO 27 -1.438 7.072 -4.852 162 1HB PRO 27 2HB PRO 27 -4.020 7.128 -5.748 163 2HB PRO 27 1HB PRO 27 -2.722 6.297 -6.627 164 1HG PRO 27 2HG PRO 27 -4.855 5.175 -4.896 165 2HG PRO 27 1HG PRO 27 -4.119 4.507 -6.359 166 1HD PRO 27 2HD PRO 27 -3.506 3.709 -3.793 167 2HD PRO 27 1HD PRO 27 -2.438 3.503 -5.197 168 H THR 28 H THR 28 -3.397 8.923 -4.590 169 HA THR 28 HA THR 28 -3.778 9.062 -1.656 170 HB THR 28 HB THR 28 -2.850 10.969 -2.976 171 HG1 THR 28 HG1 THR 28 -3.838 11.710 -1.218 172 1HG2 THR 28 1HG2 THR 28 -4.840 10.254 -4.793 173 2HG2 THR 28 3HG2 THR 28 -5.394 11.791 -4.131 174 3HG2 THR 28 2HG2 THR 28 -3.807 11.679 -4.890 175 H GLY 29 H GLY 29 -5.277 7.103 -2.809 176 1HA GLY 29 2HA GLY 29 -8.010 8.069 -2.219 177 2HA GLY 29 1HA GLY 29 -7.755 7.197 -3.738 178 H CYS 30 HN CCU 30 -5.667 6.353 -1.147 179 HA CYS 30 HA CCU 30 -7.014 3.694 -0.955 180 1HB CYS 30 2HB CCU 30 -4.488 4.400 -1.442 181 2HB CYS 30 1HB CCU 30 -4.402 4.397 0.315 182 H ASN 31 H ASN 31 -8.480 5.555 0.385 183 HA ASN 31 HA ASN 31 -7.625 5.650 3.219 184 1HB ASN 31 2HB ASN 31 -8.830 7.439 1.665 185 2HB ASN 31 1HB ASN 31 -10.281 6.585 2.193 186 1HD2 ASN 31 2HD2 ASN 31 -8.555 9.184 4.704 187 2HD2 ASN 31 1HD2 ASN 31 -8.168 9.085 3.054 188 H SER 32 H SER 32 -9.246 3.456 1.250 189 HA SER 32 HA SER 32 -10.652 2.289 3.627 190 1HB SER 32 2HB SER 32 -11.616 2.709 0.787 191 2HB SER 32 1HB SER 32 -12.433 1.636 1.919 192 HG SER 32 HG SER 32 -12.774 3.394 3.274 193 H ASP 33 H ASP 33 -11.201 -0.102 3.146 194 HA ASP 33 HA ASP 33 -8.775 -1.435 2.151 195 1HB ASP 33 2HB ASP 33 -9.867 -2.180 4.196 196 2HB ASP 33 1HB ASP 33 -11.401 -2.379 3.346 197 H ASP 34 H ASP 34 -11.209 -0.103 0.508 198 HA ASP 34 HA ASP 34 -11.242 -2.283 -1.537 199 1HB ASP 34 2HB ASP 34 -13.378 -1.871 -0.112 200 2HB ASP 34 1HB ASP 34 -13.531 -0.373 -1.029 201 H LYS 35 H LYS 35 -9.434 -0.195 -1.374 202 HA LYS 35 HA LYS 35 -9.768 1.023 -4.001 203 1HB LYS 35 2HB LYS 35 -10.362 2.425 -1.481 204 2HB LYS 35 1HB LYS 35 -9.168 3.269 -2.468 205 1HG LYS 35 2HG LYS 35 -10.782 2.932 -4.434 206 2HG LYS 35 1HG LYS 35 -11.986 2.481 -3.226 207 1HD LYS 35 2HD LYS 35 -12.363 4.643 -2.736 208 2HD LYS 35 1HD LYS 35 -10.652 4.888 -2.381 209 1HE LYS 35 2HE LYS 35 -10.209 5.207 -4.814 210 2HE LYS 35 1HE LYS 35 -11.950 5.045 -5.127 211 1HZ LYS 35 2HZ LYS 35 -10.972 6.919 -3.071 212 2HZ LYS 35 1HZ LYS 35 -10.992 7.388 -4.704 213 3HZ LYS 35 3HZ LYS 35 -12.437 6.947 -3.933 214 H CYS 36 HN CCU 36 -8.082 -0.816 -2.680 215 HA CYS 36 HA CCU 36 -5.489 0.655 -2.407 216 1HB CYS 36 2HB CCU 36 -6.368 -0.719 -0.536 217 2HB CYS 36 1HB CCU 36 -6.355 -2.133 -1.585 218 HA PRO 37 HA PRO 37 -4.860 -1.564 -6.347 219 1HB PRO 37 2HB PRO 37 -3.620 0.502 -7.635 220 2HB PRO 37 1HB PRO 37 -5.386 0.344 -7.561 221 1HG PRO 37 2HG PRO 37 -3.602 2.189 -6.116 222 2HG PRO 37 1HG PRO 37 -5.302 2.375 -6.565 223 1HD PRO 37 2HD PRO 37 -4.286 1.694 -4.022 224 2HD PRO 37 1HD PRO 37 -5.983 1.654 -4.541 225 H CYS 38 HN CCU 38 -3.297 -1.926 -4.032 226 HA CYS 38 HA CCU 38 -0.550 -1.091 -4.322 227 1HB CYS 38 2HB CCU 38 -2.120 -1.998 -2.366 228 2HB CYS 38 1HB CCU 38 -1.410 -3.530 -2.840 229 H GLY 39 H GLY 39 0.856 -3.413 -3.919 230 1HA GLY 39 2HA GLY 39 1.289 -4.384 -6.575 231 2HA GLY 39 1HA GLY 39 1.960 -5.110 -5.113 232 H ASN 40 HN ASN 40 0.036 -6.193 -3.739 233 HA ASN 40 HA ASN 40 -1.323 -8.055 -5.644 234 1HB ASN 40 2HB ASN 40 0.186 -8.288 -3.209 235 2HB ASN 40 1HB ASN 40 -1.435 -8.924 -2.931 236 1HD2 ASN 40 2HD2 ASN 40 -1.040 -11.661 -5.192 237 2HD2 ASN 40 1HD2 ASN 40 -2.178 -10.694 -4.386 Start of MODEL 4 1 1H GLN 1 3H GLN 1 15.036 -0.868 -10.502 2 2H GLN 1 2H GLN 1 16.714 -0.786 -10.253 3 3H GLN 1 1H GLN 1 15.910 -2.281 -10.162 4 HA GLN 1 HA GLN 1 15.053 -1.875 -8.088 5 1HB GLN 1 2HB GLN 1 17.742 -1.209 -8.662 6 2HB GLN 1 1HB GLN 1 17.186 -0.018 -7.485 7 1HG GLN 1 2HG GLN 1 16.196 -2.074 -6.224 8 2HG GLN 1 1HG GLN 1 17.311 -3.015 -7.217 9 1HE2 GLN 1 2HE2 GLN 1 20.064 -0.819 -5.747 10 2HE2 GLN 1 1HE2 GLN 1 19.362 -0.851 -7.292 11 H ASN 2 H ASN 2 13.417 -0.633 -7.267 12 HA ASN 2 HA ASN 2 13.635 2.337 -7.415 13 1HB ASN 2 2HB ASN 2 12.407 1.557 -9.403 14 2HB ASN 2 1HB ASN 2 11.301 0.648 -8.372 15 1HD2 ASN 2 2HD2 ASN 2 9.271 3.445 -7.724 16 2HD2 ASN 2 1HD2 ASN 2 9.469 1.761 -7.648 17 H GLU 3 H GLU 3 11.822 3.337 -6.033 18 HA GLU 3 HA GLU 3 10.918 1.508 -3.849 19 1HB GLU 3 2HB GLU 3 12.410 4.136 -3.558 20 2HB GLU 3 1HB GLU 3 11.755 3.191 -2.220 21 1HG GLU 3 2HG GLU 3 13.191 1.292 -2.841 22 2HG GLU 3 1HG GLU 3 13.835 2.214 -4.200 23 H GLY 4 H GLY 4 8.781 1.881 -3.435 24 1HA GLY 4 2HA GLY 4 7.316 3.978 -4.754 25 2HA GLY 4 1HA GLY 4 6.671 2.914 -3.502 26 H HIS 5 H HIS 5 6.715 3.608 -1.328 27 HA HIS 5 HA HIS 5 8.073 6.120 -0.606 28 1HB HIS 5 2HB HIS 5 5.522 6.782 0.174 29 2HB HIS 5 1HB HIS 5 6.274 7.358 -1.309 30 HD1 HIS 5 HD1 HIS 5 3.514 5.212 -0.060 31 HD2 HIS 5 HD2 HIS 5 5.509 5.823 -3.661 32 HE1 HIS 5 HE1 HIS 5 2.110 4.103 -1.857 33 H GLU 6 H GLU 6 5.083 5.018 0.803 34 HA GLU 6 HA GLU 6 6.370 3.357 2.854 35 1HB GLU 6 2HB GLU 6 5.622 4.948 4.672 36 2HB GLU 6 1HB GLU 6 6.914 5.586 3.654 37 1HG GLU 6 2HG GLU 6 5.618 7.327 3.066 38 2HG GLU 6 1HG GLU 6 4.397 6.221 2.434 39 H CYS 7 HN CNP 7 4.762 1.761 2.346 40 HA CYS 7 HA CNP 7 1.984 2.449 2.167 41 1HB CYS 7 2HB CNP 7 2.447 0.660 0.899 42 2HB CYS 7 1HB CNP 7 3.729 0.066 1.881 43 H GLN 8 H GLN 8 1.644 3.474 4.189 44 HA GLN 8 HA GLN 8 1.988 1.925 6.665 45 1HB GLN 8 2HB GLN 8 1.288 3.931 7.695 46 2HB GLN 8 1HB GLN 8 2.004 4.545 6.207 47 1HG GLN 8 2HG GLN 8 -0.950 3.990 6.640 48 2HG GLN 8 1HG GLN 8 -0.199 5.586 6.623 49 1HE2 GLN 8 2HE2 GLN 8 -1.097 3.762 3.119 50 2HE2 GLN 8 1HE2 GLN 8 -1.503 3.073 4.616 51 H CYS 9 HN CCU 9 0.290 1.244 4.087 52 HA CYS 9 HA CCU 9 -2.444 1.341 4.575 53 1HB CYS 9 2HB CCU 9 -0.742 -0.814 3.329 54 2HB CYS 9 1HB CCU 9 -2.443 -0.555 3.075 55 H GLN 10 H GLN 10 -3.734 0.465 5.923 56 HA GLN 10 HA GLN 10 -2.878 -1.885 7.573 57 1HB GLN 10 2HB GLN 10 -4.284 0.698 8.132 58 2HB GLN 10 1HB GLN 10 -4.845 -0.722 9.014 59 1HG GLN 10 2HG GLN 10 -2.550 -1.151 9.803 60 2HG GLN 10 1HG GLN 10 -1.976 0.257 8.910 61 1HE2 GLN 10 2HE2 GLN 10 -2.793 1.168 12.512 62 2HE2 GLN 10 1HE2 GLN 10 -1.861 -0.086 11.847 63 H CYS 11 HN CNP 11 -4.284 -1.426 4.874 64 HA CYS 11 HA CNP 11 -7.026 -1.930 4.927 65 1HB CYS 11 2HB CNP 11 -4.885 -3.021 3.081 66 2HB CYS 11 1HB CNP 11 -6.560 -2.751 2.688 67 H GLY 12 H GLY 12 -6.922 -4.460 3.379 68 1HA GLY 12 2HA GLY 12 -6.828 -6.348 5.687 69 2HA GLY 12 1HA GLY 12 -7.857 -6.557 4.264 70 H SER 13 H SER 13 -5.430 -5.513 2.674 71 HA SER 13 HA SER 13 -3.992 -8.137 2.574 72 1HB SER 13 2HB SER 13 -5.324 -6.444 0.612 73 2HB SER 13 1HB SER 13 -3.657 -6.770 0.148 74 HG SER 13 HG SER 13 -5.825 -8.438 0.250 75 H CYS 14 HN CCU 14 -3.610 -5.102 3.686 76 HA CYS 14 HA CCU 14 -0.816 -4.786 2.787 77 1HB CYS 14 2HB CCU 14 -3.056 -3.080 3.700 78 2HB CYS 14 1HB CCU 14 -1.437 -2.550 4.072 79 H LYS 15 H LYS 15 -2.917 -5.065 5.471 80 HA LYS 15 HA LYS 15 -1.021 -4.643 7.601 81 1HB LYS 15 2HB LYS 15 -3.792 -5.401 7.201 82 2HB LYS 15 1HB LYS 15 -3.065 -6.377 8.478 83 1HG LYS 15 2HG LYS 15 -2.181 -3.671 8.799 84 2HG LYS 15 1HG LYS 15 -3.937 -3.668 8.632 85 1HD LYS 15 2HD LYS 15 -3.026 -5.847 10.339 86 2HD LYS 15 1HD LYS 15 -2.507 -4.276 10.953 87 1HE LYS 15 2HE LYS 15 -4.732 -3.478 11.128 88 2HE LYS 15 1HE LYS 15 -5.360 -4.746 10.057 89 1HZ LYS 15 2HZ LYS 15 -4.340 -6.326 11.794 90 2HZ LYS 15 1HZ LYS 15 -4.391 -4.983 12.834 91 3HZ LYS 15 3HZ LYS 15 -5.824 -5.582 12.153 92 H ASN 16 H ASN 16 -1.744 -7.397 5.566 93 HA ASN 16 HA ASN 16 -0.092 -9.161 7.331 94 1HB ASN 16 2HB ASN 16 -1.205 -10.977 6.110 95 2HB ASN 16 1HB ASN 16 -2.411 -9.849 6.727 96 1HD2 ASN 16 2HD2 ASN 16 -1.998 -10.359 2.721 97 2HD2 ASN 16 1HD2 ASN 16 -1.023 -11.206 3.822 98 H ASN 17 H ASN 17 -0.518 -8.181 3.914 99 HA ASN 17 HA ASN 17 1.958 -9.525 3.093 100 1HB ASN 17 2HB ASN 17 -0.389 -8.297 1.932 101 2HB ASN 17 1HB ASN 17 1.063 -7.680 1.143 102 1HD2 ASN 17 2HD2 ASN 17 0.490 -10.685 -0.795 103 2HD2 ASN 17 1HD2 ASN 17 0.041 -9.051 -0.723 104 H GLU 18 H GLU 18 3.657 -8.512 4.254 105 HA GLU 18 HA GLU 18 3.920 -5.577 4.211 106 1HB GLU 18 2HB GLU 18 4.569 -7.603 5.961 107 2HB GLU 18 1HB GLU 18 6.129 -7.246 5.216 108 1HG GLU 18 2HG GLU 18 6.305 -5.300 6.340 109 2HG GLU 18 1HG GLU 18 4.686 -4.803 5.843 110 H GLN 19 H GLN 19 4.401 -7.771 1.901 111 HA GLN 19 HA GLN 19 7.142 -7.311 1.114 112 1HB GLN 19 2HB GLN 19 5.162 -9.074 0.481 113 2HB GLN 19 1HB GLN 19 5.110 -8.009 -0.924 114 1HG GLN 19 2HG GLN 19 6.890 -9.111 -1.751 115 2HG GLN 19 1HG GLN 19 7.846 -8.464 -0.416 116 1HE2 GLN 19 2HE2 GLN 19 7.902 -12.249 -0.342 117 2HE2 GLN 19 1HE2 GLN 19 8.256 -11.116 -1.556 118 H CYS 20 HN CCU 20 4.498 -5.307 1.156 119 HA CYS 20 HA CCU 20 5.706 -3.528 -0.911 120 1HB CYS 20 2HB CCU 20 3.376 -3.043 -1.591 121 2HB CYS 20 1HB CCU 20 3.767 -4.740 -1.814 122 H GLN 21 H GLN 21 5.624 -3.678 2.178 123 HA GLN 21 HA GLN 21 3.993 -1.360 2.931 124 1HB GLN 21 2HB GLN 21 5.324 -3.606 4.139 125 2HB GLN 21 1HB GLN 21 5.835 -2.128 4.955 126 1HG GLN 21 2HG GLN 21 3.812 -3.045 6.010 127 2HG GLN 21 1HG GLN 21 3.472 -1.484 5.261 128 1HE2 GLN 21 2HE2 GLN 21 0.687 -3.242 3.862 129 2HE2 GLN 21 1HE2 GLN 21 1.157 -2.187 5.107 130 H LYS 22 H LYS 22 6.754 -1.504 1.232 131 HA LYS 22 HA LYS 22 7.757 1.061 2.389 132 1HB LYS 22 2HB LYS 22 9.029 -1.555 2.317 133 2HB LYS 22 1HB LYS 22 10.010 -0.341 1.493 134 1HG LYS 22 2HG LYS 22 8.916 0.751 3.938 135 2HG LYS 22 1HG LYS 22 9.795 -0.741 4.274 136 1HD LYS 22 2HD LYS 22 11.724 0.150 2.955 137 2HD LYS 22 1HD LYS 22 10.851 1.671 2.771 138 1HE LYS 22 2HE LYS 22 10.695 1.250 5.497 139 2HE LYS 22 1HE LYS 22 12.317 0.643 5.105 140 1HZ LYS 22 2HZ LYS 22 11.231 3.219 4.103 141 2HZ LYS 22 1HZ LYS 22 12.222 3.091 5.478 142 3HZ LYS 22 3HZ LYS 22 12.825 2.649 3.955 143 H SER 23 H SER 23 6.555 -0.442 -0.249 144 HA SER 23 HA SER 23 7.547 1.629 -2.078 145 1HB SER 23 2HB SER 23 8.392 -0.204 -3.666 146 2HB SER 23 1HB SER 23 9.382 0.095 -2.238 147 HG SER 23 HG SER 23 8.938 -2.145 -2.608 148 H CYS 24 HN CNP 24 4.954 0.943 -1.097 149 HA CYS 24 HA CNP 24 3.541 -0.706 -3.018 150 1HB CYS 24 2HB CNP 24 1.959 -0.486 -1.356 151 2HB CYS 24 1HB CNP 24 3.330 0.046 -0.465 152 H SER 25 H SER 25 1.953 0.142 -4.556 153 HA SER 25 HA SER 25 2.696 2.849 -5.563 154 1HB SER 25 2HB SER 25 1.128 1.748 -7.473 155 2HB SER 25 1HB SER 25 2.852 1.412 -7.347 156 HG SER 25 HG SER 25 1.661 -0.514 -7.442 157 H CYS 26 HN CCU 26 1.113 3.097 -3.326 158 HA CYS 26 HA CCU 26 -1.654 3.534 -4.383 159 1HB CYS 26 2HB CCU 26 -0.557 3.180 -1.579 160 2HB CYS 26 1HB CCU 26 -2.260 3.384 -1.985 161 HA PRO 27 HA PRO 27 -0.778 7.858 -3.866 162 1HB PRO 27 2HB PRO 27 -3.269 8.761 -4.510 163 2HB PRO 27 1HB PRO 27 -2.128 8.155 -5.727 164 1HG PRO 27 2HG PRO 27 -4.522 6.861 -4.578 165 2HG PRO 27 1HG PRO 27 -3.799 6.685 -6.182 166 1HD PRO 27 2HD PRO 27 -3.547 4.888 -4.056 167 2HD PRO 27 1HD PRO 27 -2.548 4.919 -5.523 168 H THR 28 H THR 28 -2.548 9.705 -2.870 169 HA THR 28 HA THR 28 -2.820 8.834 -0.056 170 HB THR 28 HB THR 28 -1.801 11.041 -0.886 171 HG1 THR 28 HG1 THR 28 -2.891 12.223 0.791 172 1HG2 THR 28 2HG2 THR 28 -3.878 11.278 -2.492 173 2HG2 THR 28 1HG2 THR 28 -4.626 12.030 -1.082 174 3HG2 THR 28 3HG2 THR 28 -3.154 12.715 -1.771 175 H GLY 29 H GLY 29 -4.543 7.515 -1.714 176 1HA GLY 29 2HA GLY 29 -7.160 8.479 -0.702 177 2HA GLY 29 1HA GLY 29 -7.017 8.053 -2.413 178 H CYS 30 HN CCU 30 -4.963 6.321 -0.297 179 HA CYS 30 HA CCU 30 -6.524 3.841 -0.811 180 1HB CYS 30 2HB CCU 30 -3.976 4.356 -1.134 181 2HB CYS 30 1HB CCU 30 -3.874 4.034 0.595 182 H ASN 31 H ASN 31 -7.903 5.345 0.965 183 HA ASN 31 HA ASN 31 -7.194 4.385 3.705 184 1HB ASN 31 2HB ASN 31 -8.945 6.550 2.531 185 2HB ASN 31 1HB ASN 31 -9.097 6.077 4.224 186 1HD2 ASN 31 2HD2 ASN 31 -5.635 7.148 4.919 187 2HD2 ASN 31 1HD2 ASN 31 -6.586 5.764 5.166 188 H SER 32 H SER 32 -8.532 2.811 1.407 189 HA SER 32 HA SER 32 -10.905 1.902 2.999 190 1HB SER 32 2HB SER 32 -10.681 2.999 0.283 191 2HB SER 32 1HB SER 32 -11.543 1.463 0.337 192 HG SER 32 HG SER 32 -12.526 3.779 0.893 193 H ASP 33 H ASP 33 -11.570 -0.374 2.265 194 HA ASP 33 HA ASP 33 -9.110 -1.998 1.831 195 1HB ASP 33 2HB ASP 33 -11.872 -2.464 2.963 196 2HB ASP 33 1HB ASP 33 -10.812 -3.820 2.572 197 H ASP 34 H ASP 34 -11.389 -0.642 -0.067 198 HA ASP 34 HA ASP 34 -11.245 -2.880 -2.040 199 1HB ASP 34 2HB ASP 34 -13.613 -1.134 -1.282 200 2HB ASP 34 1HB ASP 34 -13.602 -2.202 -2.686 201 H LYS 35 H LYS 35 -9.540 -0.705 -1.825 202 HA LYS 35 HA LYS 35 -9.762 0.430 -4.501 203 1HB LYS 35 2HB LYS 35 -10.603 1.864 -2.078 204 2HB LYS 35 1HB LYS 35 -9.362 2.737 -2.977 205 1HG LYS 35 2HG LYS 35 -10.751 2.391 -5.059 206 2HG LYS 35 1HG LYS 35 -12.032 1.765 -4.020 207 1HD LYS 35 2HD LYS 35 -10.977 4.283 -3.009 208 2HD LYS 35 1HD LYS 35 -11.590 4.451 -4.654 209 1HE LYS 35 2HE LYS 35 -13.739 4.272 -3.949 210 2HE LYS 35 1HE LYS 35 -13.366 2.825 -2.993 211 1HZ LYS 35 3HZ LYS 35 -12.196 4.391 -1.418 212 2HZ LYS 35 2HZ LYS 35 -12.971 5.663 -2.235 213 3HZ LYS 35 1HZ LYS 35 -13.889 4.482 -1.427 214 H CYS 36 HN CCU 36 -8.083 -1.287 -3.013 215 HA CYS 36 HA CCU 36 -5.584 0.319 -2.646 216 1HB CYS 36 2HB CCU 36 -6.533 -0.999 -0.765 217 2HB CYS 36 1HB CCU 36 -6.370 -2.462 -1.730 218 HA PRO 37 HA PRO 37 -4.548 -2.008 -6.407 219 1HB PRO 37 2HB PRO 37 -3.097 0.007 -7.551 220 2HB PRO 37 1HB PRO 37 -4.864 -0.092 -7.678 221 1HG PRO 37 2HG PRO 37 -3.195 1.711 -6.061 222 2HG PRO 37 1HG PRO 37 -4.836 1.935 -6.675 223 1HD PRO 37 2HD PRO 37 -4.083 1.232 -4.041 224 2HD PRO 37 1HD PRO 37 -5.726 1.265 -4.715 225 H CYS 38 HN CCU 38 -3.267 -2.573 -4.033 226 HA CYS 38 HA CCU 38 -0.404 -1.915 -4.281 227 1HB CYS 38 2HB CCU 38 -2.173 -2.093 -2.308 228 2HB CYS 38 1HB CCU 38 -1.562 -3.727 -2.251 229 H GLY 39 H GLY 39 -2.173 -3.813 -5.783 230 1HA GLY 39 2HA GLY 39 -0.586 -6.324 -5.527 231 2HA GLY 39 1HA GLY 39 -2.169 -6.222 -6.296 232 H ASN 40 HN ASN 40 -1.335 -3.697 -7.708 233 HA ASN 40 HA ASN 40 -0.049 -5.038 -10.010 234 1HB ASN 40 2HB ASN 40 -1.932 -2.940 -9.515 235 2HB ASN 40 1HB ASN 40 -0.582 -2.257 -10.423 236 1HD2 ASN 40 2HD2 ASN 40 -2.402 -3.503 -13.239 237 2HD2 ASN 40 1HD2 ASN 40 -2.069 -2.111 -12.325 Start of MODEL 5 1 1H GLN 1 3H GLN 1 6.682 1.171 -9.299 2 2H GLN 1 2H GLN 1 6.316 0.244 -10.676 3 3H GLN 1 1H GLN 1 5.748 -0.237 -9.148 4 HA GLN 1 HA GLN 1 7.819 -0.970 -8.441 5 1HB GLN 1 2HB GLN 1 7.096 -1.444 -11.300 6 2HB GLN 1 1HB GLN 1 8.657 -2.057 -10.753 7 1HG GLN 1 2HG GLN 1 7.695 -3.513 -9.204 8 2HG GLN 1 1HG GLN 1 6.209 -2.569 -9.090 9 1HE2 GLN 1 2HE2 GLN 1 5.386 -5.546 -11.148 10 2HE2 GLN 1 1HE2 GLN 1 5.829 -5.253 -9.535 11 H ASN 2 H ASN 2 8.487 1.634 -8.427 12 HA ASN 2 HA ASN 2 11.189 1.652 -9.646 13 1HB ASN 2 2HB ASN 2 9.124 3.822 -10.141 14 2HB ASN 2 1HB ASN 2 10.759 3.764 -10.800 15 1HD2 ASN 2 2HD2 ASN 2 7.806 1.776 -12.686 16 2HD2 ASN 2 1HD2 ASN 2 7.509 2.824 -11.382 17 H GLU 3 H GLU 3 8.753 3.390 -7.708 18 HA GLU 3 HA GLU 3 10.835 4.017 -5.691 19 1HB GLU 3 2HB GLU 3 9.612 5.893 -7.628 20 2HB GLU 3 1HB GLU 3 9.639 6.461 -5.958 21 1HG GLU 3 2HG GLU 3 12.050 6.058 -5.829 22 2HG GLU 3 1HG GLU 3 12.048 5.405 -7.467 23 H GLY 4 H GLY 4 9.772 3.143 -3.929 24 1HA GLY 4 2HA GLY 4 6.871 3.214 -3.677 25 2HA GLY 4 1HA GLY 4 8.004 2.633 -2.454 26 H HIS 5 H HIS 5 6.264 3.956 -1.155 27 HA HIS 5 HA HIS 5 7.469 6.643 -0.689 28 1HB HIS 5 2HB HIS 5 4.801 7.160 -0.331 29 2HB HIS 5 1HB HIS 5 5.676 7.512 -1.816 30 HD1 HIS 5 HD1 HIS 5 2.932 5.459 -0.462 31 HD2 HIS 5 HD2 HIS 5 5.349 5.404 -3.855 32 HE1 HIS 5 HE1 HIS 5 1.796 3.930 -2.138 33 H GLU 6 H GLU 6 4.461 5.325 0.582 34 HA GLU 6 HA GLU 6 5.714 4.379 3.068 35 1HB GLU 6 2HB GLU 6 4.557 7.075 2.694 36 2HB GLU 6 1HB GLU 6 3.978 6.223 4.127 37 1HG GLU 6 2HG GLU 6 6.517 5.682 4.501 38 2HG GLU 6 1HG GLU 6 6.780 7.056 3.427 39 H CYS 7 HN CNP 7 4.505 2.418 2.751 40 HA CYS 7 HA CNP 7 1.619 2.633 2.379 41 1HB CYS 7 2HB CNP 7 2.535 1.017 1.044 42 2HB CYS 7 1HB CNP 7 3.679 0.454 2.201 43 H GLN 8 H GLN 8 1.420 3.669 4.523 44 HA GLN 8 HA GLN 8 1.810 1.945 6.874 45 1HB GLN 8 2HB GLN 8 1.146 3.875 8.055 46 2HB GLN 8 1HB GLN 8 1.810 4.597 6.592 47 1HG GLN 8 2HG GLN 8 -1.117 4.055 7.179 48 2HG GLN 8 1HG GLN 8 -0.339 5.633 7.052 49 1HE2 GLN 8 2HE2 GLN 8 -1.617 3.784 3.703 50 2HE2 GLN 8 1HE2 GLN 8 -1.951 3.181 5.254 51 H CYS 9 HN CCU 9 0.047 1.581 4.246 52 HA CYS 9 HA CCU 9 -2.641 1.558 4.600 53 1HB CYS 9 2HB CCU 9 -0.782 -0.554 3.510 54 2HB CYS 9 1HB CCU 9 -2.493 -0.452 3.192 55 H GLN 10 H GLN 10 -4.029 0.684 5.875 56 HA GLN 10 HA GLN 10 -3.223 -1.546 7.704 57 1HB GLN 10 2HB GLN 10 -5.319 0.650 7.945 58 2HB GLN 10 1HB GLN 10 -5.024 -0.595 9.159 59 1HG GLN 10 2HG GLN 10 -2.711 0.202 9.433 60 2HG GLN 10 1HG GLN 10 -2.984 1.436 8.203 61 1HE2 GLN 10 2HE2 GLN 10 -3.653 3.366 11.188 62 2HE2 GLN 10 1HE2 GLN 10 -2.377 2.885 10.176 63 H CYS 11 HN CNP 11 -4.394 -1.272 4.830 64 HA CYS 11 HA CNP 11 -7.063 -2.078 4.662 65 1HB CYS 11 2HB CNP 11 -4.670 -2.961 3.026 66 2HB CYS 11 1HB CNP 11 -6.325 -2.864 2.490 67 H GLY 12 H GLY 12 -6.689 -4.585 3.221 68 1HA GLY 12 2HA GLY 12 -6.420 -6.436 5.548 69 2HA GLY 12 1HA GLY 12 -7.435 -6.750 4.137 70 H SER 13 H SER 13 -5.192 -5.554 2.450 71 HA SER 13 HA SER 13 -3.547 -8.047 2.336 72 1HB SER 13 2HB SER 13 -4.761 -6.172 0.386 73 2HB SER 13 1HB SER 13 -3.160 -6.770 -0.038 74 HG SER 13 HG SER 13 -3.918 -8.799 -0.085 75 H CYS 14 HN CCU 14 -3.372 -5.002 3.520 76 HA CYS 14 HA CCU 14 -0.569 -4.525 2.744 77 1HB CYS 14 2HB CCU 14 -2.924 -2.975 3.650 78 2HB CYS 14 1HB CCU 14 -1.349 -2.370 4.094 79 H LYS 15 H LYS 15 -2.713 -4.998 5.379 80 HA LYS 15 HA LYS 15 -0.782 -4.657 7.523 81 1HB LYS 15 2HB LYS 15 -3.593 -5.255 7.130 82 2HB LYS 15 1HB LYS 15 -2.908 -6.309 8.367 83 1HG LYS 15 2HG LYS 15 -1.883 -4.220 9.404 84 2HG LYS 15 1HG LYS 15 -2.898 -3.286 8.305 85 1HD LYS 15 2HD LYS 15 -4.351 -3.406 10.084 86 2HD LYS 15 1HD LYS 15 -4.780 -4.924 9.293 87 1HE LYS 15 2HE LYS 15 -3.760 -6.211 10.912 88 2HE LYS 15 1HE LYS 15 -2.495 -5.004 11.217 89 1HZ LYS 15 2HZ LYS 15 -4.562 -3.587 11.946 90 2HZ LYS 15 1HZ LYS 15 -5.237 -5.117 12.244 91 3HZ LYS 15 3HZ LYS 15 -3.810 -4.653 13.034 92 H ASN 16 H ASN 16 -1.974 -7.404 5.633 93 HA ASN 16 HA ASN 16 -0.449 -9.364 7.225 94 1HB ASN 16 2HB ASN 16 -2.549 -10.092 6.376 95 2HB ASN 16 1HB ASN 16 -2.234 -9.401 4.784 96 1HD2 ASN 16 2HD2 ASN 16 -1.459 -12.812 3.990 97 2HD2 ASN 16 1HD2 ASN 16 -2.694 -11.649 3.937 98 H ASN 17 H ASN 17 -0.533 -8.859 3.686 99 HA ASN 17 HA ASN 17 2.100 -9.857 3.218 100 1HB ASN 17 2HB ASN 17 -0.125 -8.821 1.791 101 2HB ASN 17 1HB ASN 17 1.279 -7.883 1.281 102 1HD2 ASN 17 2HD2 ASN 17 1.290 -11.942 0.583 103 2HD2 ASN 17 1HD2 ASN 17 0.374 -11.329 1.873 104 H GLU 18 H GLU 18 3.733 -8.870 4.436 105 HA GLU 18 HA GLU 18 3.870 -5.932 4.625 106 1HB GLU 18 2HB GLU 18 5.236 -8.319 5.822 107 2HB GLU 18 1HB GLU 18 6.028 -6.745 5.925 108 1HG GLU 18 2HG GLU 18 4.430 -5.876 7.332 109 2HG GLU 18 1HG GLU 18 3.137 -6.856 6.637 110 H GLN 19 H GLN 19 4.564 -7.910 2.186 111 HA GLN 19 HA GLN 19 7.328 -7.097 1.633 112 1HB GLN 19 2HB GLN 19 5.522 -9.131 0.856 113 2HB GLN 19 1HB GLN 19 5.902 -8.223 -0.609 114 1HG GLN 19 2HG GLN 19 8.372 -8.394 0.218 115 2HG GLN 19 1HG GLN 19 7.769 -9.710 1.224 116 1HE2 GLN 19 2HE2 GLN 19 8.809 -10.881 -2.280 117 2HE2 GLN 19 1HE2 GLN 19 9.584 -9.817 -1.208 118 H CYS 20 HN CCU 20 4.483 -5.476 1.498 119 HA CYS 20 HA CCU 20 5.409 -3.816 -0.803 120 1HB CYS 20 2HB CCU 20 3.113 -3.644 -1.470 121 2HB CYS 20 1HB CCU 20 3.438 -5.346 -1.224 122 H GLN 21 H GLN 21 5.493 -3.688 2.338 123 HA GLN 21 HA GLN 21 3.898 -1.263 2.859 124 1HB GLN 21 2HB GLN 21 5.954 -2.572 4.648 125 2HB GLN 21 1HB GLN 21 4.531 -1.646 5.126 126 1HG GLN 21 2HG GLN 21 4.522 -4.362 3.776 127 2HG GLN 21 1HG GLN 21 4.113 -4.034 5.459 128 1HE2 GLN 21 2HE2 GLN 21 1.091 -2.158 4.367 129 2HE2 GLN 21 1HE2 GLN 21 2.467 -1.808 5.296 130 H LYS 22 H LYS 22 6.691 -1.776 1.269 131 HA LYS 22 HA LYS 22 7.798 0.888 2.060 132 1HB LYS 22 2HB LYS 22 9.079 -1.817 1.898 133 2HB LYS 22 1HB LYS 22 10.050 -0.410 1.457 134 1HG LYS 22 2HG LYS 22 9.310 0.636 3.658 135 2HG LYS 22 1HG LYS 22 8.669 -0.948 4.095 136 1HD LYS 22 2HD LYS 22 10.790 -1.934 4.160 137 2HD LYS 22 1HD LYS 22 11.507 -0.690 3.135 138 1HE LYS 22 2HE LYS 22 12.140 0.459 4.980 139 2HE LYS 22 1HE LYS 22 10.443 0.575 5.488 140 1HZ LYS 22 2HZ LYS 22 12.211 -1.779 5.905 141 2HZ LYS 22 1HZ LYS 22 11.760 -0.668 7.107 142 3HZ LYS 22 3HZ LYS 22 10.586 -1.659 6.388 143 H SER 23 H SER 23 6.345 -0.799 -0.283 144 HA SER 23 HA SER 23 7.360 0.912 -2.440 145 1HB SER 23 2HB SER 23 8.151 -1.907 -2.035 146 2HB SER 23 1HB SER 23 7.590 -1.536 -3.662 147 HG SER 23 HG SER 23 9.623 -0.199 -2.193 148 H CYS 24 HN CNP 24 4.823 0.626 -1.152 149 HA CYS 24 HA CNP 24 3.074 -1.089 -2.721 150 1HB CYS 24 2HB CNP 24 1.729 -0.530 -0.912 151 2HB CYS 24 1HB CNP 24 3.199 0.084 -0.270 152 H SER 25 H SER 25 1.669 -0.302 -4.438 153 HA SER 25 HA SER 25 2.581 2.272 -5.631 154 1HB SER 25 2HB SER 25 1.409 1.327 -7.632 155 2HB SER 25 1HB SER 25 2.632 0.239 -6.983 156 HG SER 25 HG SER 25 0.371 -0.567 -7.475 157 H CYS 26 HN CCU 26 1.001 2.872 -3.464 158 HA CYS 26 HA CCU 26 -1.650 3.545 -4.687 159 1HB CYS 26 2HB CCU 26 -0.932 3.134 -1.775 160 2HB CYS 26 1HB CCU 26 -2.542 3.262 -2.470 161 HA PRO 27 HA PRO 27 -0.469 7.730 -3.881 162 1HB PRO 27 2HB PRO 27 -2.910 8.881 -4.282 163 2HB PRO 27 1HB PRO 27 -1.914 8.264 -5.613 164 1HG PRO 27 2HG PRO 27 -4.326 7.099 -4.365 165 2HG PRO 27 1HG PRO 27 -3.738 6.972 -6.027 166 1HD PRO 27 2HD PRO 27 -3.493 5.019 -4.045 167 2HD PRO 27 1HD PRO 27 -2.594 5.073 -5.575 168 H THR 28 H THR 28 -1.901 9.668 -2.614 169 HA THR 28 HA THR 28 -2.116 8.604 0.137 170 HB THR 28 HB THR 28 -0.822 10.630 -0.229 171 HG1 THR 28 HG1 THR 28 -1.888 11.976 1.182 172 1HG2 THR 28 3HG2 THR 28 -3.165 11.310 -1.917 173 2HG2 THR 28 2HG2 THR 28 -2.430 12.650 -1.038 174 3HG2 THR 28 1HG2 THR 28 -1.459 11.688 -2.153 175 H GLY 29 H GLY 29 -4.106 7.662 -1.481 176 1HA GLY 29 2HA GLY 29 -6.499 8.869 -0.204 177 2HA GLY 29 1HA GLY 29 -6.526 8.581 -1.951 178 H CYS 30 HN CCU 30 -4.588 6.423 -0.146 179 HA CYS 30 HA CCU 30 -6.450 4.199 -0.766 180 1HB CYS 30 2HB CCU 30 -3.896 4.426 -1.147 181 2HB CYS 30 1HB CCU 30 -3.754 4.020 0.558 182 H ASN 31 H ASN 31 -7.895 5.233 0.989 183 HA ASN 31 HA ASN 31 -7.098 4.307 3.724 184 1HB ASN 31 2HB ASN 31 -8.780 6.500 2.578 185 2HB ASN 31 1HB ASN 31 -9.223 5.868 4.164 186 1HD2 ASN 31 2HD2 ASN 31 -5.982 8.262 3.806 187 2HD2 ASN 31 1HD2 ASN 31 -6.980 7.906 2.479 188 H SER 32 H SER 32 -8.508 2.878 1.271 189 HA SER 32 HA SER 32 -10.765 1.757 2.906 190 1HB SER 32 2HB SER 32 -10.613 2.913 0.207 191 2HB SER 32 1HB SER 32 -11.418 1.347 0.248 192 HG SER 32 HG SER 32 -12.570 3.520 0.770 193 H ASP 33 H ASP 33 -11.137 -0.539 2.594 194 HA ASP 33 HA ASP 33 -8.690 -2.017 1.850 195 1HB ASP 33 2HB ASP 33 -9.981 -3.908 2.863 196 2HB ASP 33 1HB ASP 33 -9.854 -2.516 3.939 197 H ASP 34 H ASP 34 -11.223 -0.871 0.142 198 HA ASP 34 HA ASP 34 -11.106 -3.157 -1.779 199 1HB ASP 34 2HB ASP 34 -13.261 -3.174 -0.611 200 2HB ASP 34 1HB ASP 34 -13.483 -1.456 -0.944 201 H LYS 35 H LYS 35 -9.496 -0.895 -1.713 202 HA LYS 35 HA LYS 35 -9.892 0.109 -4.419 203 1HB LYS 35 2HB LYS 35 -10.957 1.527 -2.191 204 2HB LYS 35 1HB LYS 35 -9.525 2.417 -2.711 205 1HG LYS 35 2HG LYS 35 -10.826 1.703 -5.090 206 2HG LYS 35 1HG LYS 35 -12.120 2.207 -4.002 207 1HD LYS 35 2HD LYS 35 -11.073 4.337 -3.611 208 2HD LYS 35 1HD LYS 35 -9.601 3.828 -4.440 209 1HE LYS 35 2HE LYS 35 -10.456 4.416 -6.455 210 2HE LYS 35 1HE LYS 35 -11.946 3.502 -6.148 211 1HZ LYS 35 2HZ LYS 35 -12.383 5.412 -4.465 212 2HZ LYS 35 1HZ LYS 35 -11.300 6.284 -5.441 213 3HZ LYS 35 3HZ LYS 35 -12.723 5.653 -6.112 214 H CYS 36 HN CCU 36 -8.059 -1.477 -2.999 215 HA CYS 36 HA CCU 36 -5.630 0.257 -2.742 216 1HB CYS 36 2HB CCU 36 -6.419 -1.163 -0.842 217 2HB CYS 36 1HB CCU 36 -6.178 -2.588 -1.848 218 HA PRO 37 HA PRO 37 -4.702 -1.987 -6.604 219 1HB PRO 37 2HB PRO 37 -3.560 0.144 -7.877 220 2HB PRO 37 1HB PRO 37 -5.313 -0.131 -7.864 221 1HG PRO 37 2HG PRO 37 -3.705 1.839 -6.376 222 2HG PRO 37 1HG PRO 37 -5.394 1.914 -6.893 223 1HD PRO 37 2HD PRO 37 -4.449 1.334 -4.304 224 2HD PRO 37 1HD PRO 37 -6.114 1.160 -4.895 225 H CYS 38 HN CCU 38 -3.197 -2.226 -4.244 226 HA CYS 38 HA CCU 38 -0.523 -1.194 -4.403 227 1HB CYS 38 2HB CCU 38 -2.086 -2.300 -2.549 228 2HB CYS 38 1HB CCU 38 -1.238 -3.753 -3.050 229 H GLY 39 H GLY 39 1.053 -3.413 -4.031 230 1HA GLY 39 2HA GLY 39 1.601 -4.242 -6.733 231 2HA GLY 39 1HA GLY 39 2.388 -4.883 -5.291 232 H ASN 40 HN ASN 40 -0.676 -5.343 -4.482 233 HA ASN 40 HA ASN 40 -0.644 -8.176 -5.135 234 1HB ASN 40 2HB ASN 40 -2.846 -6.408 -4.021 235 2HB ASN 40 1HB ASN 40 -2.730 -8.161 -3.859 236 1HD2 ASN 40 2HD2 ASN 40 -1.119 -6.109 -0.961 237 2HD2 ASN 40 1HD2 ASN 40 -2.491 -5.708 -1.874 Start of MODEL 6 1 1H GLN 1 3H GLN 1 4.826 1.210 -10.095 2 2H GLN 1 2H GLN 1 4.538 0.992 -11.756 3 3H GLN 1 1H GLN 1 3.648 0.104 -10.612 4 HA GLN 1 HA GLN 1 5.260 -1.431 -10.332 5 1HB GLN 1 2HB GLN 1 4.894 -0.592 -12.892 6 2HB GLN 1 1HB GLN 1 6.638 -0.367 -12.739 7 1HG GLN 1 2HG GLN 1 7.008 -2.651 -12.250 8 2HG GLN 1 1HG GLN 1 5.309 -2.932 -11.869 9 1HE2 GLN 1 2HE2 GLN 1 5.309 -4.311 -15.183 10 2HE2 GLN 1 1HE2 GLN 1 5.459 -4.718 -13.542 11 H ASN 2 H ASN 2 6.962 1.511 -11.491 12 HA ASN 2 HA ASN 2 9.140 0.892 -9.524 13 1HB ASN 2 2HB ASN 2 9.485 0.878 -12.101 14 2HB ASN 2 1HB ASN 2 9.374 2.634 -11.976 15 1HD2 ASN 2 2HD2 ASN 2 12.970 1.776 -11.588 16 2HD2 ASN 2 1HD2 ASN 2 11.814 1.660 -12.826 17 H GLU 3 H GLU 3 6.923 2.251 -8.537 18 HA GLU 3 HA GLU 3 8.094 4.930 -7.990 19 1HB GLU 3 2HB GLU 3 5.612 4.283 -9.492 20 2HB GLU 3 1HB GLU 3 5.476 5.583 -8.306 21 1HG GLU 3 2HG GLU 3 7.793 5.536 -10.223 22 2HG GLU 3 1HG GLU 3 6.231 6.170 -10.742 23 H GLY 4 H GLY 4 7.633 2.369 -6.475 24 1HA GLY 4 2HA GLY 4 5.416 2.728 -4.682 25 2HA GLY 4 1HA GLY 4 6.813 1.694 -4.379 26 H HIS 5 H HIS 5 5.918 3.002 -2.196 27 HA HIS 5 HA HIS 5 8.137 4.859 -1.630 28 1HB HIS 5 2HB HIS 5 6.187 6.453 -0.710 29 2HB HIS 5 1HB HIS 5 6.760 6.565 -2.370 30 HD1 HIS 5 HD1 HIS 5 4.376 3.986 -0.868 31 HD2 HIS 5 HD2 HIS 5 4.420 6.953 -3.788 32 HE1 HIS 5 HE1 HIS 5 2.144 3.862 -2.052 33 H GLU 6 H GLU 6 5.255 5.147 0.265 34 HA GLU 6 HA GLU 6 6.330 3.152 2.225 35 1HB GLU 6 2HB GLU 6 5.886 4.824 3.978 36 2HB GLU 6 1HB GLU 6 6.977 5.493 2.765 37 1HG GLU 6 2HG GLU 6 4.717 6.288 1.639 38 2HG GLU 6 1HG GLU 6 4.097 6.135 3.283 39 H CYS 7 HN CNP 7 4.650 1.616 1.961 40 HA CYS 7 HA CNP 7 1.900 2.363 1.711 41 1HB CYS 7 2HB CNP 7 2.292 0.351 0.724 42 2HB CYS 7 1HB CNP 7 3.589 -0.079 1.751 43 H GLN 8 H GLN 8 1.455 3.611 3.539 44 HA GLN 8 HA GLN 8 1.850 2.438 6.214 45 1HB GLN 8 2HB GLN 8 0.484 4.542 6.830 46 2HB GLN 8 1HB GLN 8 2.053 4.832 6.093 47 1HG GLN 8 2HG GLN 8 0.263 6.278 5.143 48 2HG GLN 8 1HG GLN 8 1.002 5.252 3.923 49 1HE2 GLN 8 2HE2 GLN 8 -1.981 3.393 3.324 50 2HE2 GLN 8 1HE2 GLN 8 -0.308 3.469 3.052 51 H CYS 9 HN CCU 9 0.165 1.390 3.786 52 HA CYS 9 HA CCU 9 -2.584 1.549 4.305 53 1HB CYS 9 2HB CCU 9 -0.897 -0.728 3.270 54 2HB CYS 9 1HB CCU 9 -2.595 -0.478 2.994 55 H GLN 10 H GLN 10 -3.850 0.758 5.745 56 HA GLN 10 HA GLN 10 -2.901 -1.395 7.599 57 1HB GLN 10 2HB GLN 10 -4.446 -0.288 9.229 58 2HB GLN 10 1HB GLN 10 -3.187 0.815 8.675 59 1HG GLN 10 2HG GLN 10 -4.691 1.884 7.131 60 2HG GLN 10 1HG GLN 10 -5.931 0.658 7.403 61 1HE2 GLN 10 2HE2 GLN 10 -5.599 3.780 9.972 62 2HE2 GLN 10 1HE2 GLN 10 -4.568 3.629 8.631 63 H CYS 11 HN CNP 11 -4.432 -1.144 4.890 64 HA CYS 11 HA CNP 11 -7.140 -1.800 5.136 65 1HB CYS 11 2HB CNP 11 -5.106 -2.873 3.164 66 2HB CYS 11 1HB CNP 11 -6.806 -2.611 2.897 67 H GLY 12 H GLY 12 -7.118 -4.367 3.741 68 1HA GLY 12 2HA GLY 12 -6.572 -6.154 6.071 69 2HA GLY 12 1HA GLY 12 -7.806 -6.462 4.845 70 H SER 13 H SER 13 -5.792 -5.430 2.795 71 HA SER 13 HA SER 13 -4.341 -8.020 2.486 72 1HB SER 13 2HB SER 13 -5.206 -5.846 0.560 73 2HB SER 13 1HB SER 13 -4.235 -7.235 0.079 74 HG SER 13 HG SER 13 -6.598 -7.650 1.529 75 H CYS 14 HN CCU 14 -3.790 -5.004 3.640 76 HA CYS 14 HA CCU 14 -1.065 -4.748 2.540 77 1HB CYS 14 2HB CCU 14 -3.177 -3.015 3.677 78 2HB CYS 14 1HB CCU 14 -1.519 -2.538 3.934 79 H LYS 15 H LYS 15 -2.938 -5.075 5.379 80 HA LYS 15 HA LYS 15 -0.819 -4.823 7.338 81 1HB LYS 15 2HB LYS 15 -2.591 -5.870 8.805 82 2HB LYS 15 1HB LYS 15 -3.157 -4.468 7.897 83 1HG LYS 15 2HG LYS 15 -4.383 -5.776 6.388 84 2HG LYS 15 1HG LYS 15 -3.445 -7.228 6.738 85 1HD LYS 15 2HD LYS 15 -4.698 -6.267 9.156 86 2HD LYS 15 1HD LYS 15 -5.911 -6.472 7.891 87 1HE LYS 15 2HE LYS 15 -4.420 -8.747 7.550 88 2HE LYS 15 1HE LYS 15 -4.324 -8.523 9.308 89 1HZ LYS 15 1HZ LYS 15 -6.866 -7.887 8.869 90 2HZ LYS 15 3HZ LYS 15 -6.650 -9.029 7.633 91 3HZ LYS 15 2HZ LYS 15 -6.361 -9.464 9.251 92 H ASN 16 H ASN 16 -2.039 -7.448 5.361 93 HA ASN 16 HA ASN 16 -0.688 -9.545 6.929 94 1HB ASN 16 2HB ASN 16 -2.904 -9.499 5.432 95 2HB ASN 16 1HB ASN 16 -1.759 -9.927 4.160 96 1HD2 ASN 16 2HD2 ASN 16 -3.062 -12.905 6.323 97 2HD2 ASN 16 1HD2 ASN 16 -3.903 -11.490 5.909 98 H ASN 17 H ASN 17 -0.438 -8.408 3.531 99 HA ASN 17 HA ASN 17 2.211 -9.631 3.223 100 1HB ASN 17 2HB ASN 17 0.187 -8.163 1.592 101 2HB ASN 17 1HB ASN 17 1.852 -8.144 1.010 102 1HD2 ASN 17 2HD2 ASN 17 1.857 -11.570 0.093 103 2HD2 ASN 17 1HD2 ASN 17 2.791 -10.168 0.300 104 H GLU 18 H GLU 18 3.712 -8.546 4.536 105 HA GLU 18 HA GLU 18 3.803 -5.596 4.563 106 1HB GLU 18 2HB GLU 18 5.019 -7.899 6.035 107 2HB GLU 18 1HB GLU 18 5.888 -6.364 6.053 108 1HG GLU 18 2HG GLU 18 3.183 -5.711 6.509 109 2HG GLU 18 1HG GLU 18 3.511 -7.120 7.518 110 H GLN 19 H GLN 19 4.695 -7.702 2.305 111 HA GLN 19 HA GLN 19 7.501 -7.006 1.929 112 1HB GLN 19 2HB GLN 19 5.439 -8.733 0.766 113 2HB GLN 19 1HB GLN 19 6.527 -8.051 -0.444 114 1HG GLN 19 2HG GLN 19 8.261 -9.331 0.243 115 2HG GLN 19 1HG GLN 19 7.943 -8.982 1.942 116 1HE2 GLN 19 2HE2 GLN 19 5.680 -12.038 0.363 117 2HE2 GLN 19 1HE2 GLN 19 5.878 -10.608 -0.530 118 H CYS 20 HN CCU 20 4.716 -5.290 1.517 119 HA CYS 20 HA CCU 20 5.945 -3.589 -0.616 120 1HB CYS 20 2HB CCU 20 3.610 -3.214 -1.361 121 2HB CYS 20 1HB CCU 20 4.055 -4.907 -1.471 122 H GLN 21 H GLN 21 5.670 -3.553 2.513 123 HA GLN 21 HA GLN 21 3.984 -1.228 3.044 124 1HB GLN 21 2HB GLN 21 6.044 -2.797 4.621 125 2HB GLN 21 1HB GLN 21 5.089 -1.486 5.314 126 1HG GLN 21 2HG GLN 21 3.631 -3.642 3.847 127 2HG GLN 21 1HG GLN 21 4.267 -4.020 5.449 128 1HE2 GLN 21 2HE2 GLN 21 0.860 -1.998 5.256 129 2HE2 GLN 21 1HE2 GLN 21 1.491 -2.959 4.007 130 H LYS 22 H LYS 22 6.719 -1.303 1.324 131 HA LYS 22 HA LYS 22 7.549 1.401 2.248 132 1HB LYS 22 2HB LYS 22 9.128 -1.143 2.264 133 2HB LYS 22 1HB LYS 22 9.974 0.360 1.892 134 1HG LYS 22 2HG LYS 22 9.855 1.083 4.034 135 2HG LYS 22 1HG LYS 22 8.162 0.612 4.182 136 1HD LYS 22 2HD LYS 22 9.034 -0.937 5.629 137 2HD LYS 22 1HD LYS 22 9.292 -1.838 4.133 138 1HE LYS 22 2HE LYS 22 11.457 0.067 4.704 139 2HE LYS 22 1HE LYS 22 11.287 -1.197 5.938 140 1HZ LYS 22 1HZ LYS 22 11.030 -1.962 3.121 141 2HZ LYS 22 3HZ LYS 22 12.589 -1.654 3.714 142 3HZ LYS 22 2HZ LYS 22 11.632 -2.858 4.434 143 H SER 23 H SER 23 6.432 -0.293 -0.236 144 HA SER 23 HA SER 23 7.684 1.460 -2.241 145 1HB SER 23 2HB SER 23 8.334 -0.683 -3.562 146 2HB SER 23 1HB SER 23 9.369 -0.202 -2.221 147 HG SER 23 HG SER 23 7.180 -1.881 -1.726 148 H CYS 24 HN CNP 24 4.956 0.737 -1.155 149 HA CYS 24 HA CNP 24 3.585 -0.751 -3.238 150 1HB CYS 24 2HB CNP 24 1.962 -0.674 -1.602 151 2HB CYS 24 1HB CNP 24 3.303 -0.199 -0.624 152 H SER 25 H SER 25 1.949 0.295 -4.687 153 HA SER 25 HA SER 25 2.775 3.074 -5.422 154 1HB SER 25 2HB SER 25 2.734 0.894 -6.923 155 2HB SER 25 1HB SER 25 1.027 1.297 -7.090 156 HG SER 25 HG SER 25 2.930 3.327 -7.396 157 H CYS 26 HN CCU 26 1.021 2.953 -3.203 158 HA CYS 26 HA CCU 26 -1.653 3.638 -4.347 159 1HB CYS 26 2HB CCU 26 -0.746 3.067 -1.508 160 2HB CYS 26 1HB CCU 26 -2.413 3.253 -2.046 161 HA PRO 27 HA PRO 27 -0.735 7.850 -3.324 162 1HB PRO 27 2HB PRO 27 -3.222 8.868 -3.813 163 2HB PRO 27 1HB PRO 27 -2.113 8.381 -5.110 164 1HG PRO 27 2HG PRO 27 -4.531 7.035 -4.098 165 2HG PRO 27 1HG PRO 27 -3.789 6.975 -5.701 166 1HD PRO 27 2HD PRO 27 -3.603 5.017 -3.686 167 2HD PRO 27 1HD PRO 27 -2.656 5.092 -5.187 168 H THR 28 H THR 28 -2.334 9.637 -2.045 169 HA THR 28 HA THR 28 -2.649 8.420 0.632 170 HB THR 28 HB THR 28 -1.473 10.627 0.102 171 HG1 THR 28 HG1 THR 28 -2.581 11.704 1.884 172 1HG2 THR 28 3HG2 THR 28 -3.636 11.157 -1.416 173 2HG2 THR 28 2HG2 THR 28 -4.127 11.962 0.074 174 3HG2 THR 28 1HG2 THR 28 -2.624 12.424 -0.726 175 H GLY 29 H GLY 29 -4.485 7.458 -1.152 176 1HA GLY 29 2HA GLY 29 -7.016 8.500 0.007 177 2HA GLY 29 1HA GLY 29 -6.914 8.246 -1.742 178 H CYS 30 HN CCU 30 -5.020 6.166 0.219 179 HA CYS 30 HA CCU 30 -6.756 3.870 -0.542 180 1HB CYS 30 2HB CCU 30 -4.153 4.309 -0.820 181 2HB CYS 30 1HB CCU 30 -4.099 3.671 0.818 182 H ASN 31 H ASN 31 -7.977 5.285 1.432 183 HA ASN 31 HA ASN 31 -7.227 4.135 4.067 184 1HB ASN 31 2HB ASN 31 -8.103 6.577 3.267 185 2HB ASN 31 1HB ASN 31 -9.641 5.828 3.699 186 1HD2 ASN 31 2HD2 ASN 31 -8.608 7.188 6.903 187 2HD2 ASN 31 1HD2 ASN 31 -9.386 7.653 5.468 188 H SER 32 H SER 32 -9.127 3.222 1.446 189 HA SER 32 HA SER 32 -11.254 1.960 3.108 190 1HB SER 32 2HB SER 32 -10.960 1.874 0.107 191 2HB SER 32 1HB SER 32 -12.436 1.797 1.064 192 HG SER 32 HG SER 32 -11.072 3.950 0.127 193 H ASP 33 H ASP 33 -11.692 -0.210 1.227 194 HA ASP 33 HA ASP 33 -9.201 -1.837 1.517 195 1HB ASP 33 2HB ASP 33 -10.997 -2.014 3.401 196 2HB ASP 33 1HB ASP 33 -11.938 -2.903 2.200 197 H ASP 34 H ASP 34 -11.415 -0.666 -0.569 198 HA ASP 34 HA ASP 34 -11.154 -3.045 -2.355 199 1HB ASP 34 2HB ASP 34 -13.500 -2.427 -3.155 200 2HB ASP 34 1HB ASP 34 -13.419 -3.055 -1.508 201 H LYS 35 H LYS 35 -9.535 -0.785 -2.221 202 HA LYS 35 HA LYS 35 -9.615 0.075 -5.001 203 1HB LYS 35 2HB LYS 35 -10.896 1.623 -2.967 204 2HB LYS 35 1HB LYS 35 -9.427 2.485 -3.429 205 1HG LYS 35 2HG LYS 35 -10.081 2.394 -5.787 206 2HG LYS 35 1HG LYS 35 -11.519 1.460 -5.371 207 1HD LYS 35 2HD LYS 35 -12.540 3.490 -5.291 208 2HD LYS 35 1HD LYS 35 -11.782 3.614 -3.702 209 1HE LYS 35 2HE LYS 35 -9.863 4.795 -4.666 210 2HE LYS 35 1HE LYS 35 -10.539 4.602 -6.296 211 1HZ LYS 35 2HZ LYS 35 -12.641 5.593 -5.005 212 2HZ LYS 35 1HZ LYS 35 -11.395 6.354 -4.137 213 3HZ LYS 35 3HZ LYS 35 -11.510 6.569 -5.814 214 H CYS 36 HN CCU 36 -7.982 -1.426 -3.274 215 HA CYS 36 HA CCU 36 -5.584 0.311 -2.832 216 1HB CYS 36 2HB CCU 36 -6.612 -0.984 -0.963 217 2HB CYS 36 1HB CCU 36 -6.281 -2.471 -1.849 218 HA PRO 37 HA PRO 37 -4.181 -2.128 -6.401 219 1HB PRO 37 2HB PRO 37 -2.739 -0.110 -7.542 220 2HB PRO 37 1HB PRO 37 -4.488 -0.287 -7.779 221 1HG PRO 37 2HG PRO 37 -3.001 1.643 -6.124 222 2HG PRO 37 1HG PRO 37 -4.590 1.791 -6.884 223 1HD PRO 37 2HD PRO 37 -4.059 1.242 -4.169 224 2HD PRO 37 1HD PRO 37 -5.632 1.150 -4.988 225 H CYS 38 HN CCU 38 -3.048 -2.386 -3.835 226 HA CYS 38 HA CCU 38 -0.280 -1.535 -3.720 227 1HB CYS 38 2HB CCU 38 -2.138 -2.304 -1.972 228 2HB CYS 38 1HB CCU 38 -1.382 -3.866 -2.221 229 H GLY 39 H GLY 39 1.028 -3.819 -2.939 230 1HA GLY 39 2HA GLY 39 1.850 -4.975 -5.427 231 2HA GLY 39 1HA GLY 39 2.299 -5.585 -3.833 232 H ASN 40 HN ASN 40 0.105 -6.507 -2.690 233 HA ASN 40 HA ASN 40 -0.742 -8.718 -4.471 234 1HB ASN 40 2HB ASN 40 0.121 -9.055 -2.149 235 2HB ASN 40 1HB ASN 40 -1.259 -8.147 -1.532 236 1HD2 ASN 40 2HD2 ASN 40 -1.953 -11.906 -1.645 237 2HD2 ASN 40 1HD2 ASN 40 -0.611 -11.038 -1.070 Start of MODEL 7 1 1H GLN 1 2H GLN 1 11.506 1.661 -13.023 2 2H GLN 1 1H GLN 1 11.110 2.255 -14.565 3 3H GLN 1 3H GLN 1 11.441 3.336 -13.301 4 HA GLN 1 HA GLN 1 9.089 3.313 -13.541 5 1HB GLN 1 2HB GLN 1 7.983 1.015 -13.481 6 2HB GLN 1 1HB GLN 1 8.957 1.339 -14.916 7 1HG GLN 1 2HG GLN 1 10.618 -0.132 -14.295 8 2HG GLN 1 1HG GLN 1 10.332 0.109 -12.570 9 1HE2 GLN 1 2HE2 GLN 1 8.839 -3.164 -14.131 10 2HE2 GLN 1 1HE2 GLN 1 10.226 -2.334 -14.651 11 H ASN 2 H ASN 2 10.812 3.701 -11.340 12 HA ASN 2 HA ASN 2 9.928 2.021 -9.095 13 1HB ASN 2 2HB ASN 2 12.097 3.665 -9.751 14 2HB ASN 2 1HB ASN 2 11.266 4.536 -8.463 15 1HD2 ASN 2 2HD2 ASN 2 12.199 2.235 -5.949 16 2HD2 ASN 2 1HD2 ASN 2 11.342 3.649 -6.330 17 H GLU 3 H GLU 3 7.952 2.386 -8.150 18 HA GLU 3 HA GLU 3 7.045 5.222 -7.834 19 1HB GLU 3 2HB GLU 3 5.619 2.836 -9.015 20 2HB GLU 3 1HB GLU 3 4.718 4.204 -8.362 21 1HG GLU 3 2HG GLU 3 6.434 5.583 -9.869 22 2HG GLU 3 1HG GLU 3 6.472 4.070 -10.775 23 H GLY 4 H GLY 4 8.024 2.630 -6.190 24 1HA GLY 4 2HA GLY 4 5.792 2.377 -4.286 25 2HA GLY 4 1HA GLY 4 7.348 1.551 -4.175 26 H HIS 5 H HIS 5 6.149 2.873 -1.937 27 HA HIS 5 HA HIS 5 8.344 4.734 -1.301 28 1HB HIS 5 2HB HIS 5 6.361 6.366 -0.530 29 2HB HIS 5 1HB HIS 5 7.034 6.435 -2.155 30 HD1 HIS 5 HD1 HIS 5 4.479 3.980 -0.697 31 HD2 HIS 5 HD2 HIS 5 4.831 6.768 -3.766 32 HE1 HIS 5 HE1 HIS 5 2.317 3.887 -2.012 33 H GLU 6 H GLU 6 5.362 5.102 0.424 34 HA GLU 6 HA GLU 6 6.335 3.166 2.497 35 1HB GLU 6 2HB GLU 6 6.306 6.003 2.550 36 2HB GLU 6 1HB GLU 6 5.029 5.465 3.641 37 1HG GLU 6 2HG GLU 6 6.511 4.655 5.147 38 2HG GLU 6 1HG GLU 6 7.484 3.884 3.894 39 H CYS 7 HN CNP 7 4.680 1.614 2.189 40 HA CYS 7 HA CNP 7 1.919 2.395 1.888 41 1HB CYS 7 2HB CNP 7 2.286 0.462 0.781 42 2HB CYS 7 1HB CNP 7 3.594 -0.051 1.766 43 H GLN 8 H GLN 8 1.499 3.539 3.824 44 HA GLN 8 HA GLN 8 1.870 2.123 6.393 45 1HB GLN 8 2HB GLN 8 1.882 4.755 5.679 46 2HB GLN 8 1HB GLN 8 0.184 4.572 6.121 47 1HG GLN 8 2HG GLN 8 1.640 5.265 8.045 48 2HG GLN 8 1HG GLN 8 0.789 3.745 8.324 49 1HE2 GLN 8 2HE2 GLN 8 3.752 1.820 8.520 50 2HE2 GLN 8 1HE2 GLN 8 2.055 1.820 8.554 51 H CYS 9 HN CCU 9 0.179 1.306 3.918 52 HA CYS 9 HA CCU 9 -2.564 1.566 4.322 53 1HB CYS 9 2HB CCU 9 -0.864 -0.732 3.354 54 2HB CYS 9 1HB CCU 9 -2.579 -0.561 3.105 55 H GLN 10 H GLN 10 -3.910 0.900 5.750 56 HA GLN 10 HA GLN 10 -3.124 -1.215 7.719 57 1HB GLN 10 2HB GLN 10 -4.396 1.454 7.883 58 2HB GLN 10 1HB GLN 10 -5.217 0.204 8.819 59 1HG GLN 10 2HG GLN 10 -2.793 -0.392 9.632 60 2HG GLN 10 1HG GLN 10 -2.415 1.250 9.109 61 1HE2 GLN 10 2HE2 GLN 10 -4.870 0.687 12.350 62 2HE2 GLN 10 1HE2 GLN 10 -4.573 -0.604 11.289 63 H CYS 11 HN CNP 11 -4.530 -1.068 4.934 64 HA CYS 11 HA CNP 11 -7.262 -1.653 5.101 65 1HB CYS 11 2HB CNP 11 -5.144 -2.826 3.285 66 2HB CYS 11 1HB CNP 11 -6.835 -2.619 2.926 67 H GLY 12 H GLY 12 -7.012 -4.315 3.752 68 1HA GLY 12 2HA GLY 12 -6.674 -6.007 6.192 69 2HA GLY 12 1HA GLY 12 -7.928 -6.306 4.983 70 H SER 13 H SER 13 -5.736 -5.372 2.971 71 HA SER 13 HA SER 13 -4.427 -8.052 2.759 72 1HB SER 13 2HB SER 13 -5.787 -6.209 0.903 73 2HB SER 13 1HB SER 13 -4.275 -6.864 0.280 74 HG SER 13 HG SER 13 -5.114 -8.824 0.275 75 H CYS 14 HN CCU 14 -3.799 -4.973 3.690 76 HA CYS 14 HA CCU 14 -1.117 -4.804 2.488 77 1HB CYS 14 2HB CCU 14 -3.138 -3.019 3.708 78 2HB CYS 14 1HB CCU 14 -1.461 -2.572 3.905 79 H LYS 15 H LYS 15 -2.832 -5.067 5.439 80 HA LYS 15 HA LYS 15 -0.622 -4.797 7.276 81 1HB LYS 15 2HB LYS 15 -3.459 -5.579 7.269 82 2HB LYS 15 1HB LYS 15 -2.510 -6.392 8.515 83 1HG LYS 15 2HG LYS 15 -1.618 -3.743 8.586 84 2HG LYS 15 1HG LYS 15 -3.365 -3.612 8.377 85 1HD LYS 15 2HD LYS 15 -1.947 -5.233 10.514 86 2HD LYS 15 1HD LYS 15 -2.803 -3.710 10.766 87 1HE LYS 15 2HE LYS 15 -4.847 -4.944 9.705 88 2HE LYS 15 1HE LYS 15 -3.945 -6.421 10.103 89 1HZ LYS 15 1HZ LYS 15 -4.350 -4.222 12.049 90 2HZ LYS 15 3HZ LYS 15 -5.427 -5.526 11.920 91 3HZ LYS 15 2HZ LYS 15 -3.808 -5.802 12.356 92 H ASN 16 H ASN 16 -1.906 -7.484 5.404 93 HA ASN 16 HA ASN 16 -0.196 -9.447 6.828 94 1HB ASN 16 2HB ASN 16 -2.456 -9.444 4.868 95 2HB ASN 16 1HB ASN 16 -1.387 -10.848 4.881 96 1HD2 ASN 16 2HD2 ASN 16 -4.116 -10.439 7.807 97 2HD2 ASN 16 1HD2 ASN 16 -4.087 -9.436 6.438 98 H ASN 17 H ASN 17 -0.137 -7.423 4.032 99 HA ASN 17 HA ASN 17 2.001 -9.061 2.739 100 1HB ASN 17 2HB ASN 17 -0.131 -7.224 1.922 101 2HB ASN 17 1HB ASN 17 1.412 -6.849 1.154 102 1HD2 ASN 17 2HD2 ASN 17 0.489 -9.330 -1.217 103 2HD2 ASN 17 1HD2 ASN 17 0.692 -7.668 -0.941 104 H GLU 18 H GLU 18 3.621 -8.415 4.394 105 HA GLU 18 HA GLU 18 4.291 -5.575 4.682 106 1HB GLU 18 2HB GLU 18 6.095 -6.528 6.104 107 2HB GLU 18 1HB GLU 18 4.515 -7.196 6.514 108 1HG GLU 18 2HG GLU 18 4.991 -9.266 5.568 109 2HG GLU 18 1HG GLU 18 6.198 -8.600 4.469 110 H GLN 19 H GLN 19 4.698 -7.599 2.179 111 HA GLN 19 HA GLN 19 7.523 -7.079 1.580 112 1HB GLN 19 2HB GLN 19 5.395 -8.823 0.733 113 2HB GLN 19 1HB GLN 19 6.095 -8.036 -0.681 114 1HG GLN 19 2HG GLN 19 7.245 -10.182 -0.053 115 2HG GLN 19 1HG GLN 19 8.319 -8.782 -0.069 116 1HE2 GLN 19 2HE2 GLN 19 7.495 -10.659 3.467 117 2HE2 GLN 19 1HE2 GLN 19 6.636 -11.069 2.062 118 H CYS 20 HN CCU 20 4.822 -5.209 1.463 119 HA CYS 20 HA CCU 20 5.952 -3.508 -0.701 120 1HB CYS 20 2HB CCU 20 3.641 -3.210 -1.484 121 2HB CYS 20 1HB CCU 20 4.091 -4.904 -1.543 122 H GLN 21 H GLN 21 5.607 -3.591 2.441 123 HA GLN 21 HA GLN 21 3.909 -1.283 3.000 124 1HB GLN 21 2HB GLN 21 4.663 -1.679 5.278 125 2HB GLN 21 1HB GLN 21 4.341 -3.236 4.513 126 1HG GLN 21 2HG GLN 21 6.787 -3.374 3.936 127 2HG GLN 21 1HG GLN 21 7.042 -1.926 4.908 128 1HE2 GLN 21 2HE2 GLN 21 5.418 -4.555 7.460 129 2HE2 GLN 21 1HE2 GLN 21 4.510 -3.723 6.296 130 H LYS 22 H LYS 22 6.704 -1.357 1.379 131 HA LYS 22 HA LYS 22 7.532 1.325 2.373 132 1HB LYS 22 2HB LYS 22 9.906 0.513 2.326 133 2HB LYS 22 1HB LYS 22 8.922 -0.312 3.535 134 1HG LYS 22 2HG LYS 22 8.778 -2.281 2.262 135 2HG LYS 22 1HG LYS 22 9.193 -1.452 0.761 136 1HD LYS 22 2HD LYS 22 11.203 -1.430 2.975 137 2HD LYS 22 1HD LYS 22 10.994 -2.924 2.059 138 1HE LYS 22 2HE LYS 22 11.062 -1.000 0.063 139 2HE LYS 22 1HE LYS 22 12.261 -0.411 1.231 140 1HZ LYS 22 2HZ LYS 22 12.884 -2.923 1.339 141 2HZ LYS 22 1HZ LYS 22 12.172 -2.976 -0.204 142 3HZ LYS 22 3HZ LYS 22 13.495 -1.954 0.084 143 H SER 23 H SER 23 6.427 -0.328 -0.149 144 HA SER 23 HA SER 23 7.670 1.466 -2.121 145 1HB SER 23 2HB SER 23 8.466 -1.340 -1.684 146 2HB SER 23 1HB SER 23 8.095 -0.955 -3.362 147 HG SER 23 HG SER 23 10.296 -0.420 -2.063 148 H CYS 24 HN CNP 24 4.939 0.788 -1.084 149 HA CYS 24 HA CNP 24 3.581 -0.725 -3.153 150 1HB CYS 24 2HB CNP 24 1.939 -0.620 -1.538 151 2HB CYS 24 1HB CNP 24 3.267 -0.132 -0.554 152 H SER 25 H SER 25 1.875 0.326 -4.542 153 HA SER 25 HA SER 25 2.760 3.067 -5.374 154 1HB SER 25 2HB SER 25 1.224 2.077 -7.404 155 2HB SER 25 1HB SER 25 2.961 1.818 -7.278 156 HG SER 25 HG SER 25 0.828 0.113 -6.576 157 H CYS 26 HN CCU 26 1.045 3.020 -3.167 158 HA CYS 26 HA CCU 26 -1.663 3.606 -4.296 159 1HB CYS 26 2HB CCU 26 -0.661 3.099 -1.476 160 2HB CYS 26 1HB CCU 26 -2.350 3.322 -1.931 161 HA PRO 27 HA PRO 27 -0.756 7.881 -3.561 162 1HB PRO 27 2HB PRO 27 -3.264 8.845 -4.055 163 2HB PRO 27 1HB PRO 27 -2.169 8.313 -5.346 164 1HG PRO 27 2HG PRO 27 -4.511 6.933 -4.168 165 2HG PRO 27 1HG PRO 27 -3.895 6.903 -5.825 166 1HD PRO 27 2HD PRO 27 -3.517 4.904 -3.945 167 2HD PRO 27 1HD PRO 27 -2.529 5.139 -5.402 168 H THR 28 H THR 28 -2.365 9.705 -2.345 169 HA THR 28 HA THR 28 -2.599 8.616 0.395 170 HB THR 28 HB THR 28 -1.446 10.775 -0.126 171 HG1 THR 28 HG1 THR 28 -2.920 12.051 1.347 172 1HG2 THR 28 2HG2 THR 28 -3.921 11.196 -1.584 173 2HG2 THR 28 1HG2 THR 28 -3.595 12.534 -0.482 174 3HG2 THR 28 3HG2 THR 28 -2.398 12.078 -1.695 175 H GLY 29 H GLY 29 -4.454 7.536 -1.290 176 1HA GLY 29 2HA GLY 29 -6.972 8.556 -0.101 177 2HA GLY 29 1HA GLY 29 -6.913 8.281 -1.848 178 H CYS 30 HN CCU 30 -4.892 6.251 0.016 179 HA CYS 30 HA CCU 30 -6.612 3.917 -0.650 180 1HB CYS 30 2HB CCU 30 -4.066 4.321 -1.043 181 2HB CYS 30 1HB CCU 30 -3.900 3.849 0.644 182 H ASN 31 H ASN 31 -7.988 5.071 1.218 183 HA ASN 31 HA ASN 31 -7.158 3.979 3.879 184 1HB ASN 31 2HB ASN 31 -7.567 6.355 3.853 185 2HB ASN 31 1HB ASN 31 -9.083 6.139 2.977 186 1HD2 ASN 31 2HD2 ASN 31 -9.205 4.640 6.797 187 2HD2 ASN 31 1HD2 ASN 31 -7.927 4.206 5.768 188 H SER 32 H SER 32 -8.869 2.933 1.312 189 HA SER 32 HA SER 32 -11.164 1.867 2.912 190 1HB SER 32 2HB SER 32 -12.227 1.592 0.755 191 2HB SER 32 1HB SER 32 -11.506 3.199 0.786 192 HG SER 32 HG SER 32 -11.093 1.824 -1.127 193 H ASP 33 H ASP 33 -11.768 -0.377 1.439 194 HA ASP 33 HA ASP 33 -9.297 -2.067 1.639 195 1HB ASP 33 2HB ASP 33 -12.153 -2.589 2.518 196 2HB ASP 33 1HB ASP 33 -10.898 -3.827 2.498 197 H ASP 34 H ASP 34 -11.437 -0.824 -0.484 198 HA ASP 34 HA ASP 34 -11.175 -3.180 -2.294 199 1HB ASP 34 2HB ASP 34 -13.610 -1.706 -1.376 200 2HB ASP 34 1HB ASP 34 -13.582 -2.248 -3.054 201 H LYS 35 H LYS 35 -9.597 -0.892 -2.139 202 HA LYS 35 HA LYS 35 -9.733 0.021 -4.901 203 1HB LYS 35 2HB LYS 35 -11.157 1.456 -2.991 204 2HB LYS 35 1HB LYS 35 -9.622 2.322 -3.069 205 1HG LYS 35 2HG LYS 35 -10.097 1.937 -5.718 206 2HG LYS 35 1HG LYS 35 -11.750 2.064 -5.113 207 1HD LYS 35 2HD LYS 35 -10.028 4.068 -3.897 208 2HD LYS 35 1HD LYS 35 -10.015 4.194 -5.657 209 1HE LYS 35 2HE LYS 35 -12.005 5.277 -5.495 210 2HE LYS 35 1HE LYS 35 -12.716 3.742 -4.958 211 1HZ LYS 35 3HZ LYS 35 -11.189 5.448 -3.092 212 2HZ LYS 35 2HZ LYS 35 -12.841 5.732 -3.368 213 3HZ LYS 35 1HZ LYS 35 -12.327 4.241 -2.735 214 H CYS 36 HN CCU 36 -8.050 -1.461 -3.184 215 HA CYS 36 HA CCU 36 -5.668 0.309 -2.796 216 1HB CYS 36 2HB CCU 36 -6.641 -0.948 -0.892 217 2HB CYS 36 1HB CCU 36 -6.376 -2.453 -1.766 218 HA PRO 37 HA PRO 37 -4.301 -2.154 -6.370 219 1HB PRO 37 2HB PRO 37 -2.877 -0.138 -7.539 220 2HB PRO 37 1HB PRO 37 -4.629 -0.321 -7.756 221 1HG PRO 37 2HG PRO 37 -3.126 1.613 -6.112 222 2HG PRO 37 1HG PRO 37 -4.712 1.769 -6.876 223 1HD PRO 37 2HD PRO 37 -4.207 1.243 -4.161 224 2HD PRO 37 1HD PRO 37 -5.772 1.112 -4.993 225 H CYS 38 HN CCU 38 -3.128 -2.441 -3.844 226 HA CYS 38 HA CCU 38 -0.355 -1.570 -3.771 227 1HB CYS 38 2HB CCU 38 -2.198 -2.308 -1.988 228 2HB CYS 38 1HB CCU 38 -1.444 -3.875 -2.220 229 H GLY 39 H GLY 39 0.952 -3.845 -2.970 230 1HA GLY 39 2HA GLY 39 1.607 -5.103 -5.496 231 2HA GLY 39 1HA GLY 39 2.277 -5.547 -3.924 232 H ASN 40 HN ASN 40 -0.633 -5.792 -2.955 233 HA ASN 40 HA ASN 40 -0.880 -8.649 -3.370 234 1HB ASN 40 2HB ASN 40 -1.630 -6.956 -1.457 235 2HB ASN 40 1HB ASN 40 -3.119 -6.908 -2.402 236 1HD2 ASN 40 2HD2 ASN 40 -3.013 -10.747 -1.978 237 2HD2 ASN 40 1HD2 ASN 40 -2.527 -9.803 -3.303 Start of MODEL 8 1 1H GLN 1 1H GLN 1 16.014 4.358 -0.569 2 2H GLN 1 3H GLN 1 15.029 4.885 0.707 3 3H GLN 1 2H GLN 1 15.626 3.295 0.697 4 HA GLN 1 HA GLN 1 14.287 2.738 -1.219 5 1HB GLN 1 2HB GLN 1 13.305 2.388 0.938 6 2HB GLN 1 1HB GLN 1 12.986 4.112 1.145 7 1HG GLN 1 2HG GLN 1 11.763 3.162 -1.296 8 2HG GLN 1 1HG GLN 1 11.235 2.180 0.069 9 1HE2 GLN 1 2HE2 GLN 1 9.926 6.001 -0.277 10 2HE2 GLN 1 1HE2 GLN 1 10.958 5.311 -1.434 11 H ASN 2 H ASN 2 14.003 3.715 -3.197 12 HA ASN 2 HA ASN 2 12.639 6.386 -3.243 13 1HB ASN 2 2HB ASN 2 14.138 6.833 -5.243 14 2HB ASN 2 1HB ASN 2 14.990 6.710 -3.703 15 1HD2 ASN 2 2HD2 ASN 2 17.110 4.360 -5.284 16 2HD2 ASN 2 1HD2 ASN 2 16.987 5.875 -4.527 17 H GLU 3 H GLU 3 11.706 3.507 -3.627 18 HA GLU 3 HA GLU 3 10.974 3.485 -6.507 19 1HB GLU 3 2HB GLU 3 11.284 1.593 -4.286 20 2HB GLU 3 1HB GLU 3 9.834 1.293 -5.244 21 1HG GLU 3 2HG GLU 3 12.443 1.817 -6.637 22 2HG GLU 3 1HG GLU 3 12.115 0.214 -5.979 23 H GLY 4 H GLY 4 9.088 2.640 -3.587 24 1HA GLY 4 2HA GLY 4 6.738 3.972 -4.826 25 2HA GLY 4 1HA GLY 4 6.676 2.824 -3.488 26 H HIS 5 H HIS 5 6.369 3.698 -1.494 27 HA HIS 5 HA HIS 5 7.571 6.299 -0.790 28 1HB HIS 5 2HB HIS 5 4.983 6.813 -0.042 29 2HB HIS 5 1HB HIS 5 5.701 7.396 -1.540 30 HD1 HIS 5 HD1 HIS 5 3.084 5.102 -0.239 31 HD2 HIS 5 HD2 HIS 5 5.044 5.764 -3.848 32 HE1 HIS 5 HE1 HIS 5 1.775 3.843 -2.007 33 H GLU 6 H GLU 6 4.646 5.080 0.650 34 HA GLU 6 HA GLU 6 6.016 3.484 2.697 35 1HB GLU 6 2HB GLU 6 6.104 6.154 3.058 36 2HB GLU 6 1HB GLU 6 4.517 5.836 3.761 37 1HG GLU 6 2HG GLU 6 5.589 5.227 5.650 38 2HG GLU 6 1HG GLU 6 6.146 3.801 4.773 39 H CYS 7 HN CNP 7 4.450 1.839 2.187 40 HA CYS 7 HA CNP 7 1.666 2.366 1.987 41 1HB CYS 7 2HB CNP 7 2.263 0.467 0.892 42 2HB CYS 7 1HB CNP 7 3.528 0.046 1.962 43 H GLN 8 H GLN 8 1.236 3.552 3.898 44 HA GLN 8 HA GLN 8 1.569 2.212 6.506 45 1HB GLN 8 2HB GLN 8 1.706 4.736 6.057 46 2HB GLN 8 1HB GLN 8 -0.027 4.687 5.728 47 1HG GLN 8 2HG GLN 8 0.566 5.329 8.100 48 2HG GLN 8 1HG GLN 8 -0.503 3.932 7.970 49 1HE2 GLN 8 2HE2 GLN 8 1.898 1.633 9.236 50 2HE2 GLN 8 1HE2 GLN 8 0.419 1.792 8.419 51 H CYS 9 HN CCU 9 -0.054 1.370 3.928 52 HA CYS 9 HA CCU 9 -2.795 1.471 4.258 53 1HB CYS 9 2HB CCU 9 -0.963 -0.757 3.372 54 2HB CYS 9 1HB CCU 9 -2.667 -0.648 3.031 55 H GLN 10 H GLN 10 -4.190 0.689 5.603 56 HA GLN 10 HA GLN 10 -3.350 -1.319 7.659 57 1HB GLN 10 2HB GLN 10 -5.391 0.927 7.583 58 2HB GLN 10 1HB GLN 10 -5.382 -0.293 8.856 59 1HG GLN 10 2HG GLN 10 -3.210 0.361 9.603 60 2HG GLN 10 1HG GLN 10 -2.937 1.345 8.164 61 1HE2 GLN 10 2HE2 GLN 10 -4.019 3.578 11.000 62 2HE2 GLN 10 1HE2 GLN 10 -2.750 2.468 10.805 63 H CYS 11 HN CNP 11 -4.608 -1.272 4.731 64 HA CYS 11 HA CNP 11 -7.212 -2.280 4.737 65 1HB CYS 11 2HB CNP 11 -4.841 -3.068 3.021 66 2HB CYS 11 1HB CNP 11 -6.524 -3.113 2.568 67 H GLY 12 H GLY 12 -6.967 -4.818 3.518 68 1HA GLY 12 2HA GLY 12 -6.279 -6.502 5.878 69 2HA GLY 12 1HA GLY 12 -7.425 -6.958 4.612 70 H SER 13 H SER 13 -5.560 -5.857 2.538 71 HA SER 13 HA SER 13 -3.832 -8.264 2.339 72 1HB SER 13 2HB SER 13 -5.520 -6.960 0.595 73 2HB SER 13 1HB SER 13 -3.946 -6.329 0.120 74 HG SER 13 HG SER 13 -3.270 -8.347 -0.345 75 H CYS 14 HN CCU 14 -3.565 -5.238 3.564 76 HA CYS 14 HA CCU 14 -0.807 -4.781 2.623 77 1HB CYS 14 2HB CCU 14 -3.096 -3.198 3.636 78 2HB CYS 14 1HB CCU 14 -1.493 -2.612 3.987 79 H LYS 15 H LYS 15 -2.829 -5.223 5.348 80 HA LYS 15 HA LYS 15 -0.790 -4.899 7.403 81 1HB LYS 15 2HB LYS 15 -3.645 -5.465 7.136 82 2HB LYS 15 1HB LYS 15 -2.904 -6.419 8.423 83 1HG LYS 15 2HG LYS 15 -1.757 -4.058 8.971 84 2HG LYS 15 1HG LYS 15 -3.228 -3.463 8.201 85 1HD LYS 15 2HD LYS 15 -4.628 -4.530 9.786 86 2HD LYS 15 1HD LYS 15 -3.324 -5.572 10.358 87 1HE LYS 15 2HE LYS 15 -2.494 -3.968 11.764 88 2HE LYS 15 1HE LYS 15 -2.808 -2.659 10.606 89 1HZ LYS 15 3HZ LYS 15 -5.013 -4.122 11.926 90 2HZ LYS 15 2HZ LYS 15 -4.293 -2.769 12.658 91 3HZ LYS 15 1HZ LYS 15 -5.064 -2.613 11.152 92 H ASN 16 H ASN 16 -1.968 -7.541 5.423 93 HA ASN 16 HA ASN 16 -0.566 -9.585 7.052 94 1HB ASN 16 2HB ASN 16 -2.883 -9.763 5.914 95 2HB ASN 16 1HB ASN 16 -1.985 -9.929 4.403 96 1HD2 ASN 16 2HD2 ASN 16 -2.162 -13.411 5.242 97 2HD2 ASN 16 1HD2 ASN 16 -2.909 -12.191 4.329 98 H ASN 17 H ASN 17 -0.386 -8.056 3.838 99 HA ASN 17 HA ASN 17 2.111 -9.535 3.211 100 1HB ASN 17 2HB ASN 17 0.021 -7.966 1.803 101 2HB ASN 17 1HB ASN 17 1.647 -7.838 1.132 102 1HD2 ASN 17 2HD2 ASN 17 1.724 -11.563 0.753 103 2HD2 ASN 17 1HD2 ASN 17 2.639 -10.437 1.633 104 H GLU 18 H GLU 18 3.669 -8.566 4.587 105 HA GLU 18 HA GLU 18 3.925 -5.627 4.669 106 1HB GLU 18 2HB GLU 18 4.408 -7.769 6.388 107 2HB GLU 18 1HB GLU 18 6.022 -7.247 5.906 108 1HG GLU 18 2HG GLU 18 5.720 -5.084 6.764 109 2HG GLU 18 1HG GLU 18 3.961 -5.223 6.750 110 H GLN 19 H GLN 19 4.701 -7.765 2.384 111 HA GLN 19 HA GLN 19 7.528 -7.150 1.973 112 1HB GLN 19 2HB GLN 19 5.349 -8.719 0.678 113 2HB GLN 19 1HB GLN 19 6.708 -8.248 -0.343 114 1HG GLN 19 2HG GLN 19 7.154 -9.520 2.355 115 2HG GLN 19 1HG GLN 19 6.887 -10.503 0.914 116 1HE2 GLN 19 2HE2 GLN 19 10.405 -8.453 1.339 117 2HE2 GLN 19 1HE2 GLN 19 9.103 -8.124 2.376 118 H CYS 20 HN CCU 20 4.854 -5.292 1.675 119 HA CYS 20 HA CCU 20 6.057 -3.678 -0.528 120 1HB CYS 20 2HB CCU 20 3.752 -3.355 -1.329 121 2HB CYS 20 1HB CCU 20 4.172 -5.060 -1.327 122 H GLN 21 H GLN 21 5.912 -3.490 2.557 123 HA GLN 21 HA GLN 21 4.141 -1.203 3.039 124 1HB GLN 21 2HB GLN 21 6.315 -2.532 4.688 125 2HB GLN 21 1HB GLN 21 5.143 -1.368 5.305 126 1HG GLN 21 2HG GLN 21 3.916 -3.595 3.833 127 2HG GLN 21 1HG GLN 21 4.785 -4.099 5.283 128 1HE2 GLN 21 2HE2 GLN 21 1.210 -2.340 5.696 129 2HE2 GLN 21 1HE2 GLN 21 1.801 -2.905 4.209 130 H LYS 22 H LYS 22 6.824 -1.283 1.259 131 HA LYS 22 HA LYS 22 7.658 1.447 2.120 132 1HB LYS 22 2HB LYS 22 10.039 0.695 1.909 133 2HB LYS 22 1HB LYS 22 9.172 -0.141 3.197 134 1HG LYS 22 2HG LYS 22 9.528 -2.131 2.209 135 2HG LYS 22 1HG LYS 22 8.808 -1.552 0.706 136 1HD LYS 22 2HD LYS 22 10.907 -1.806 -0.134 137 2HD LYS 22 1HD LYS 22 11.221 -0.265 0.664 138 1HE LYS 22 2HE LYS 22 11.846 -1.616 2.748 139 2HE LYS 22 1HE LYS 22 11.841 -3.046 1.697 140 1HZ LYS 22 1HZ LYS 22 13.350 -1.880 0.190 141 2HZ LYS 22 3HZ LYS 22 13.395 -0.552 1.244 142 3HZ LYS 22 2HZ LYS 22 14.036 -2.047 1.735 143 H SER 23 H SER 23 6.459 -0.336 -0.290 144 HA SER 23 HA SER 23 7.426 1.496 -2.374 145 1HB SER 23 2HB SER 23 9.152 -0.355 -2.076 146 2HB SER 23 1HB SER 23 7.917 -1.486 -2.621 147 HG SER 23 HG SER 23 7.982 0.572 -4.311 148 H CYS 24 HN CNP 24 4.836 0.790 -1.178 149 HA CYS 24 HA CNP 24 3.406 -0.949 -3.006 150 1HB CYS 24 2HB CNP 24 1.861 -0.723 -1.310 151 2HB CYS 24 1HB CNP 24 3.239 -0.134 -0.457 152 H SER 25 H SER 25 2.212 -0.275 -4.817 153 HA SER 25 HA SER 25 2.678 2.455 -5.798 154 1HB SER 25 2HB SER 25 1.521 -0.122 -6.794 155 2HB SER 25 1HB SER 25 1.136 1.359 -7.664 156 HG SER 25 HG SER 25 3.024 0.464 -8.495 157 H CYS 26 HN CCU 26 1.215 2.959 -3.599 158 HA CYS 26 HA CCU 26 -1.591 3.319 -4.585 159 1HB CYS 26 2HB CCU 26 -0.450 2.942 -1.803 160 2HB CYS 26 1HB CCU 26 -2.150 3.222 -2.162 161 HA PRO 27 HA PRO 27 -0.718 7.622 -4.053 162 1HB PRO 27 2HB PRO 27 -3.275 8.542 -4.336 163 2HB PRO 27 1HB PRO 27 -2.307 7.964 -5.706 164 1HG PRO 27 2HG PRO 27 -4.526 6.639 -4.270 165 2HG PRO 27 1HG PRO 27 -4.029 6.503 -5.962 166 1HD PRO 27 2HD PRO 27 -3.492 4.650 -3.945 167 2HD PRO 27 1HD PRO 27 -2.685 4.735 -5.525 168 H THR 28 H THR 28 -2.164 9.491 -2.728 169 HA THR 28 HA THR 28 -2.177 8.452 0.045 170 HB THR 28 HB THR 28 -0.977 10.529 -0.473 171 HG1 THR 28 HG1 THR 28 -1.749 10.798 1.491 172 1HG2 THR 28 2HG2 THR 28 -3.644 11.325 -1.636 173 2HG2 THR 28 1HG2 THR 28 -2.446 12.530 -1.166 174 3HG2 THR 28 3HG2 THR 28 -2.060 11.344 -2.413 175 H GLY 29 H GLY 29 -4.209 7.430 -1.465 176 1HA GLY 29 2HA GLY 29 -6.573 8.545 -0.061 177 2HA GLY 29 1HA GLY 29 -6.682 8.266 -1.806 178 H CYS 30 HN CCU 30 -4.582 6.176 -0.096 179 HA CYS 30 HA CCU 30 -6.350 3.878 -0.683 180 1HB CYS 30 2HB CCU 30 -3.784 4.233 -1.026 181 2HB CYS 30 1HB CCU 30 -3.670 3.785 0.672 182 H ASN 31 H ASN 31 -7.588 5.325 1.245 183 HA ASN 31 HA ASN 31 -6.859 4.192 3.897 184 1HB ASN 31 2HB ASN 31 -8.446 6.457 2.799 185 2HB ASN 31 1HB ASN 31 -9.017 5.771 4.321 186 1HD2 ASN 31 2HD2 ASN 31 -6.223 8.406 4.747 187 2HD2 ASN 31 1HD2 ASN 31 -7.538 8.404 3.674 188 H SER 32 H SER 32 -8.849 3.438 1.262 189 HA SER 32 HA SER 32 -10.935 2.116 2.929 190 1HB SER 32 2HB SER 32 -11.078 3.599 0.674 191 2HB SER 32 1HB SER 32 -10.909 2.001 -0.049 192 HG SER 32 HG SER 32 -13.098 2.562 0.367 193 H ASP 33 H ASP 33 -11.465 -0.180 2.399 194 HA ASP 33 HA ASP 33 -8.984 -1.726 1.842 195 1HB ASP 33 2HB ASP 33 -10.391 -2.030 3.922 196 2HB ASP 33 1HB ASP 33 -11.679 -2.642 2.884 197 H ASP 34 H ASP 34 -11.395 -0.516 0.025 198 HA ASP 34 HA ASP 34 -11.325 -2.855 -1.832 199 1HB ASP 34 2HB ASP 34 -13.662 -1.086 -1.038 200 2HB ASP 34 1HB ASP 34 -13.720 -2.207 -2.398 201 H LYS 35 H LYS 35 -9.662 -0.623 -1.771 202 HA LYS 35 HA LYS 35 -9.943 0.304 -4.519 203 1HB LYS 35 2HB LYS 35 -10.956 1.837 -2.291 204 2HB LYS 35 1HB LYS 35 -9.589 2.694 -3.003 205 1HG LYS 35 2HG LYS 35 -10.618 2.835 -5.117 206 2HG LYS 35 1HG LYS 35 -11.762 1.544 -4.746 207 1HD LYS 35 2HD LYS 35 -12.829 3.012 -3.044 208 2HD LYS 35 1HD LYS 35 -11.728 4.311 -3.505 209 1HE LYS 35 2HE LYS 35 -12.608 4.060 -5.887 210 2HE LYS 35 1HE LYS 35 -13.876 3.020 -5.210 211 1HZ LYS 35 2HZ LYS 35 -13.305 5.561 -3.871 212 2HZ LYS 35 1HZ LYS 35 -14.183 5.614 -5.325 213 3HZ LYS 35 3HZ LYS 35 -14.775 4.719 -4.011 214 H CYS 36 HN CCU 36 -8.196 -1.271 -2.995 215 HA CYS 36 HA CCU 36 -5.746 0.410 -2.634 216 1HB CYS 36 2HB CCU 36 -6.607 -0.985 -0.789 217 2HB CYS 36 1HB CCU 36 -6.484 -2.413 -1.810 218 HA PRO 37 HA PRO 37 -4.652 -1.761 -6.485 219 1HB PRO 37 2HB PRO 37 -3.297 0.337 -7.591 220 2HB PRO 37 1HB PRO 37 -5.060 0.171 -7.701 221 1HG PRO 37 2HG PRO 37 -3.443 1.993 -6.045 222 2HG PRO 37 1HG PRO 37 -5.094 2.176 -6.651 223 1HD PRO 37 2HD PRO 37 -4.316 1.437 -4.038 224 2HD PRO 37 1HD PRO 37 -5.957 1.411 -4.716 225 H CYS 38 HN CCU 38 -3.319 -2.260 -4.087 226 HA CYS 38 HA CCU 38 -0.550 -1.394 -4.107 227 1HB CYS 38 2HB CCU 38 -2.265 -2.324 -2.293 228 2HB CYS 38 1HB CCU 38 -1.533 -3.854 -2.733 229 H GLY 39 H GLY 39 0.815 -3.728 -3.634 230 1HA GLY 39 2HA GLY 39 1.309 -4.702 -6.318 231 2HA GLY 39 1HA GLY 39 2.087 -5.298 -4.851 232 H ASN 40 HN ASN 40 -0.477 -5.907 -3.526 233 HA ASN 40 HA ASN 40 -1.807 -7.901 -5.238 234 1HB ASN 40 2HB ASN 40 0.209 -9.092 -4.656 235 2HB ASN 40 1HB ASN 40 0.070 -8.608 -2.966 236 1HD2 ASN 40 2HD2 ASN 40 -2.864 -11.214 -4.194 237 2HD2 ASN 40 1HD2 ASN 40 -2.500 -9.859 -5.151 Start of MODEL 9 1 1H GLN 1 3H GLN 1 6.261 -1.163 -10.063 2 2H GLN 1 2H GLN 1 6.080 -0.249 -11.484 3 3H GLN 1 1H GLN 1 7.034 -1.655 -11.490 4 HA GLN 1 HA GLN 1 8.530 0.187 -11.431 5 1HB GLN 1 2HB GLN 1 6.350 1.116 -9.664 6 2HB GLN 1 1HB GLN 1 7.967 1.588 -9.142 7 1HG GLN 1 2HG GLN 1 7.174 3.322 -10.608 8 2HG GLN 1 1HG GLN 1 8.383 2.404 -11.506 9 1HE2 GLN 1 2HE2 GLN 1 4.470 1.553 -12.465 10 2HE2 GLN 1 1HE2 GLN 1 4.899 1.738 -10.834 11 H ASN 2 H ASN 2 10.195 0.617 -9.561 12 HA ASN 2 HA ASN 2 10.516 -1.944 -8.070 13 1HB ASN 2 2HB ASN 2 12.326 0.307 -8.961 14 2HB ASN 2 1HB ASN 2 12.879 -0.926 -7.827 15 1HD2 ASN 2 2HD2 ASN 2 12.324 -1.899 -11.761 16 2HD2 ASN 2 1HD2 ASN 2 11.779 -0.404 -11.169 17 H GLU 3 H GLU 3 10.479 1.583 -7.582 18 HA GLU 3 HA GLU 3 10.465 1.123 -4.622 19 1HB GLU 3 2HB GLU 3 12.047 2.705 -6.207 20 2HB GLU 3 1HB GLU 3 10.789 3.846 -5.729 21 1HG GLU 3 2HG GLU 3 11.538 3.937 -3.597 22 2HG GLU 3 1HG GLU 3 11.712 2.184 -3.501 23 H GLY 4 H GLY 4 9.173 3.078 -3.541 24 1HA GLY 4 2HA GLY 4 6.818 3.953 -5.053 25 2HA GLY 4 1HA GLY 4 6.467 2.773 -3.788 26 H HIS 5 H HIS 5 6.272 3.515 -1.701 27 HA HIS 5 HA HIS 5 7.566 6.049 -0.906 28 1HB HIS 5 2HB HIS 5 5.020 6.609 -0.088 29 2HB HIS 5 1HB HIS 5 5.703 7.201 -1.599 30 HD1 HIS 5 HD1 HIS 5 3.055 4.981 -0.256 31 HD2 HIS 5 HD2 HIS 5 4.948 5.601 -3.910 32 HE1 HIS 5 HE1 HIS 5 1.659 3.783 -1.998 33 H GLU 6 H GLU 6 4.648 4.864 0.570 34 HA GLU 6 HA GLU 6 6.032 3.150 2.512 35 1HB GLU 6 2HB GLU 6 5.255 4.736 4.387 36 2HB GLU 6 1HB GLU 6 6.635 5.271 3.426 37 1HG GLU 6 2HG GLU 6 4.098 6.060 2.219 38 2HG GLU 6 1HG GLU 6 4.283 6.707 3.850 39 H CYS 7 HN CNP 7 4.380 1.579 1.963 40 HA CYS 7 HA CNP 7 1.613 2.201 1.906 41 1HB CYS 7 2HB CNP 7 2.073 0.348 0.732 42 2HB CYS 7 1HB CNP 7 3.384 -0.173 1.720 43 H GLN 8 H GLN 8 1.284 3.318 3.888 44 HA GLN 8 HA GLN 8 1.651 1.800 6.400 45 1HB GLN 8 2HB GLN 8 0.350 4.481 5.745 46 2HB GLN 8 1HB GLN 8 0.706 3.887 7.369 47 1HG GLN 8 2HG GLN 8 2.730 4.499 5.193 48 2HG GLN 8 1HG GLN 8 2.477 5.417 6.679 49 1HE2 GLN 8 2HE2 GLN 8 4.712 2.013 6.769 50 2HE2 GLN 8 1HE2 GLN 8 3.970 2.530 5.332 51 H CYS 9 HN CCU 9 -0.059 1.172 3.876 52 HA CYS 9 HA CCU 9 -2.781 1.444 4.176 53 1HB CYS 9 2HB CCU 9 -1.029 -0.848 3.314 54 2HB CYS 9 1HB CCU 9 -2.740 -0.766 3.023 55 H GLN 10 H GLN 10 -4.252 0.767 5.497 56 HA GLN 10 HA GLN 10 -3.573 -1.229 7.620 57 1HB GLN 10 2HB GLN 10 -4.957 1.342 7.497 58 2HB GLN 10 1HB GLN 10 -5.980 0.098 8.216 59 1HG GLN 10 2HG GLN 10 -4.457 -0.327 9.957 60 2HG GLN 10 1HG GLN 10 -3.112 0.410 9.084 61 1HE2 GLN 10 2HE2 GLN 10 -5.313 2.692 11.542 62 2HE2 GLN 10 1HE2 GLN 10 -5.427 0.999 11.502 63 H CYS 11 HN CNP 11 -4.682 -1.255 4.646 64 HA CYS 11 HA CNP 11 -7.319 -2.181 4.558 65 1HB CYS 11 2HB CNP 11 -4.888 -3.079 2.990 66 2HB CYS 11 1HB CNP 11 -6.545 -3.113 2.455 67 H GLY 12 H GLY 12 -7.035 -4.780 3.415 68 1HA GLY 12 2HA GLY 12 -6.513 -6.392 5.871 69 2HA GLY 12 1HA GLY 12 -7.645 -6.853 4.594 70 H SER 13 H SER 13 -5.667 -5.880 2.542 71 HA SER 13 HA SER 13 -4.031 -8.362 2.480 72 1HB SER 13 2HB SER 13 -4.996 -6.331 0.475 73 2HB SER 13 1HB SER 13 -3.703 -7.453 0.058 74 HG SER 13 HG SER 13 -6.372 -8.007 0.822 75 H CYS 14 HN CCU 14 -3.702 -5.272 3.544 76 HA CYS 14 HA CCU 14 -0.910 -4.934 2.671 77 1HB CYS 14 2HB CCU 14 -3.166 -3.276 3.620 78 2HB CYS 14 1HB CCU 14 -1.556 -2.732 4.012 79 H LYS 15 H LYS 15 -2.968 -5.332 5.363 80 HA LYS 15 HA LYS 15 -1.067 -4.935 7.494 81 1HB LYS 15 2HB LYS 15 -2.837 -5.969 8.845 82 2HB LYS 15 1HB LYS 15 -3.561 -4.874 7.666 83 1HG LYS 15 2HG LYS 15 -4.747 -6.567 6.783 84 2HG LYS 15 1HG LYS 15 -3.263 -7.464 6.462 85 1HD LYS 15 2HD LYS 15 -3.370 -8.632 8.475 86 2HD LYS 15 1HD LYS 15 -4.357 -7.396 9.257 87 1HE LYS 15 2HE LYS 15 -5.996 -8.186 7.187 88 2HE LYS 15 1HE LYS 15 -5.207 -9.709 7.641 89 1HZ LYS 15 1HZ LYS 15 -5.654 -9.064 10.005 90 2HZ LYS 15 3HZ LYS 15 -6.649 -7.822 9.420 91 3HZ LYS 15 2HZ LYS 15 -7.040 -9.444 9.097 92 H ASN 16 H ASN 16 -1.365 -7.431 5.194 93 HA ASN 16 HA ASN 16 0.100 -9.349 6.979 94 1HB ASN 16 2HB ASN 16 -1.999 -9.586 4.866 95 2HB ASN 16 1HB ASN 16 -0.826 -10.897 4.992 96 1HD2 ASN 16 2HD2 ASN 16 -1.924 -11.870 8.291 97 2HD2 ASN 16 1HD2 ASN 16 -0.538 -11.794 7.313 98 H ASN 17 H ASN 17 0.000 -7.791 3.807 99 HA ASN 17 HA ASN 17 2.372 -9.209 2.817 100 1HB ASN 17 2HB ASN 17 0.255 -8.142 1.620 101 2HB ASN 17 1HB ASN 17 1.258 -6.691 1.629 102 1HD2 ASN 17 2HD2 ASN 17 1.930 -8.920 -1.419 103 2HD2 ASN 17 1HD2 ASN 17 0.465 -8.433 -0.713 104 H GLU 18 H GLU 18 4.099 -8.657 4.229 105 HA GLU 18 HA GLU 18 4.669 -5.811 4.793 106 1HB GLU 18 2HB GLU 18 5.586 -8.512 5.685 107 2HB GLU 18 1HB GLU 18 6.707 -7.165 5.888 108 1HG GLU 18 2HG GLU 18 5.520 -6.328 7.613 109 2HG GLU 18 1HG GLU 18 4.011 -6.435 6.707 110 H GLN 19 H GLN 19 5.053 -7.511 2.094 111 HA GLN 19 HA GLN 19 7.912 -6.880 1.609 112 1HB GLN 19 2HB GLN 19 6.199 -8.938 0.893 113 2HB GLN 19 1HB GLN 19 6.290 -7.973 -0.581 114 1HG GLN 19 2HG GLN 19 8.602 -9.168 0.969 115 2HG GLN 19 1HG GLN 19 8.083 -9.585 -0.665 116 1HE2 GLN 19 2HE2 GLN 19 9.578 -6.700 -2.160 117 2HE2 GLN 19 1HE2 GLN 19 8.387 -7.891 -2.367 118 H CYS 20 HN CCU 20 5.107 -5.204 1.493 119 HA CYS 20 HA CCU 20 6.098 -3.416 -0.657 120 1HB CYS 20 2HB CCU 20 3.863 -3.399 -1.582 121 2HB CYS 20 1HB CCU 20 4.389 -5.067 -1.472 122 H GLN 21 H GLN 21 5.538 -3.606 2.491 123 HA GLN 21 HA GLN 21 3.645 -1.453 2.937 124 1HB GLN 21 2HB GLN 21 4.449 -1.691 5.304 125 2HB GLN 21 1HB GLN 21 3.920 -3.203 4.577 126 1HG GLN 21 2HG GLN 21 5.987 -3.611 5.764 127 2HG GLN 21 1HG GLN 21 6.327 -3.711 4.042 128 1HE2 GLN 21 2HE2 GLN 21 8.987 -1.482 4.657 129 2HE2 GLN 21 1HE2 GLN 21 8.528 -3.040 4.171 130 H LYS 22 H LYS 22 6.538 -1.208 1.521 131 HA LYS 22 HA LYS 22 6.955 1.544 2.581 132 1HB LYS 22 2HB LYS 22 8.654 -0.785 2.941 133 2HB LYS 22 1HB LYS 22 9.515 0.505 2.106 134 1HG LYS 22 2HG LYS 22 7.913 1.570 4.278 135 2HG LYS 22 1HG LYS 22 9.035 0.343 4.865 136 1HD LYS 22 2HD LYS 22 10.924 1.503 4.015 137 2HD LYS 22 1HD LYS 22 9.925 2.547 3.003 138 1HE LYS 22 2HE LYS 22 8.913 3.506 5.107 139 2HE LYS 22 1HE LYS 22 10.114 2.585 6.034 140 1HZ LYS 22 2HZ LYS 22 11.813 3.596 4.491 141 2HZ LYS 22 1HZ LYS 22 10.601 4.675 3.989 142 3HZ LYS 22 3HZ LYS 22 11.107 4.664 5.607 143 H SER 23 H SER 23 6.244 -0.218 -0.017 144 HA SER 23 HA SER 23 7.294 1.778 -1.906 145 1HB SER 23 2HB SER 23 8.686 0.249 -3.119 146 2HB SER 23 1HB SER 23 9.102 0.019 -1.423 147 HG SER 23 HG SER 23 7.629 -1.614 -3.164 148 H CYS 24 HN CNP 24 4.659 0.875 -1.068 149 HA CYS 24 HA CNP 24 3.569 -0.927 -3.056 150 1HB CYS 24 2HB CNP 24 1.814 -0.812 -1.562 151 2HB CYS 24 1HB CNP 24 3.083 -0.235 -0.550 152 H SER 25 H SER 25 1.835 -0.220 -4.583 153 HA SER 25 HA SER 25 2.543 2.385 -5.826 154 1HB SER 25 2HB SER 25 1.097 -0.127 -6.656 155 2HB SER 25 1HB SER 25 1.030 1.328 -7.647 156 HG SER 25 HG SER 25 2.819 0.429 -8.392 157 H CYS 26 HN CCU 26 1.094 2.836 -3.501 158 HA CYS 26 HA CCU 26 -1.678 3.401 -4.492 159 1HB CYS 26 2HB CCU 26 -0.533 2.933 -1.725 160 2HB CYS 26 1HB CCU 26 -2.217 3.332 -2.051 161 HA PRO 27 HA PRO 27 -0.628 7.659 -3.931 162 1HB PRO 27 2HB PRO 27 -3.142 8.680 -4.238 163 2HB PRO 27 1HB PRO 27 -2.192 8.048 -5.596 164 1HG PRO 27 2HG PRO 27 -4.499 6.862 -4.200 165 2HG PRO 27 1HG PRO 27 -3.937 6.628 -5.860 166 1HD PRO 27 2HD PRO 27 -3.554 4.878 -3.684 167 2HD PRO 27 1HD PRO 27 -2.788 4.773 -5.283 168 H THR 28 H THR 28 -2.024 9.602 -2.653 169 HA THR 28 HA THR 28 -2.100 8.620 0.139 170 HB THR 28 HB THR 28 -0.849 10.687 -0.622 171 HG1 THR 28 HG1 THR 28 -2.957 11.005 1.246 172 1HG2 THR 28 3HG2 THR 28 -3.462 11.254 -1.719 173 2HG2 THR 28 2HG2 THR 28 -2.960 12.552 -0.637 174 3HG2 THR 28 1HG2 THR 28 -1.936 12.094 -1.997 175 H GLY 29 H GLY 29 -4.152 7.666 -1.413 176 1HA GLY 29 2HA GLY 29 -6.495 8.898 -0.062 177 2HA GLY 29 1HA GLY 29 -6.586 8.563 -1.797 178 H CYS 30 HN CCU 30 -4.597 6.473 0.044 179 HA CYS 30 HA CCU 30 -6.408 4.202 -0.505 180 1HB CYS 30 2HB CCU 30 -3.794 4.554 -0.740 181 2HB CYS 30 1HB CCU 30 -3.794 4.035 0.941 182 H ASN 31 H ASN 31 -7.685 5.722 1.325 183 HA ASN 31 HA ASN 31 -7.019 4.727 4.049 184 1HB ASN 31 2HB ASN 31 -7.627 7.156 3.295 185 2HB ASN 31 1HB ASN 31 -9.286 6.559 3.287 186 1HD2 ASN 31 2HD2 ASN 31 -7.619 7.541 6.789 187 2HD2 ASN 31 1HD2 ASN 31 -6.954 7.966 5.287 188 H SER 32 H SER 32 -8.517 3.321 1.588 189 HA SER 32 HA SER 32 -10.805 2.305 3.247 190 1HB SER 32 2HB SER 32 -10.823 3.620 0.807 191 2HB SER 32 1HB SER 32 -10.927 1.927 0.335 192 HG SER 32 HG SER 32 -12.525 3.021 2.396 193 H ASP 33 H ASP 33 -11.467 0.052 1.864 194 HA ASP 33 HA ASP 33 -8.928 -1.539 1.734 195 1HB ASP 33 2HB ASP 33 -10.427 -1.700 3.839 196 2HB ASP 33 1HB ASP 33 -11.566 -2.554 2.797 197 H ASP 34 H ASP 34 -11.323 -0.395 -0.118 198 HA ASP 34 HA ASP 34 -11.330 -2.842 -1.831 199 1HB ASP 34 2HB ASP 34 -13.688 -2.363 -2.364 200 2HB ASP 34 1HB ASP 34 -13.497 -2.511 -0.617 201 H LYS 35 H LYS 35 -9.589 -0.678 -1.915 202 HA LYS 35 HA LYS 35 -9.869 0.101 -4.705 203 1HB LYS 35 2HB LYS 35 -11.242 1.731 -3.214 204 2HB LYS 35 1HB LYS 35 -9.676 2.297 -2.629 205 1HG LYS 35 2HG LYS 35 -8.997 2.961 -4.836 206 2HG LYS 35 1HG LYS 35 -10.392 2.165 -5.565 207 1HD LYS 35 2HD LYS 35 -11.366 3.969 -3.582 208 2HD LYS 35 1HD LYS 35 -10.206 4.844 -4.581 209 1HE LYS 35 2HE LYS 35 -11.846 5.049 -6.135 210 2HE LYS 35 1HE LYS 35 -11.734 3.295 -6.385 211 1HZ LYS 35 2HZ LYS 35 -13.292 4.560 -4.195 212 2HZ LYS 35 1HZ LYS 35 -13.975 4.063 -5.669 213 3HZ LYS 35 3HZ LYS 35 -13.281 2.917 -4.629 214 H CYS 36 HN CCU 36 -8.156 -1.449 -3.099 215 HA CYS 36 HA CCU 36 -5.643 0.179 -2.949 216 1HB CYS 36 2HB CCU 36 -6.549 -1.029 -0.945 217 2HB CYS 36 1HB CCU 36 -6.318 -2.547 -1.809 218 HA PRO 37 HA PRO 37 -4.741 -2.443 -6.553 219 1HB PRO 37 2HB PRO 37 -3.401 -0.513 -7.948 220 2HB PRO 37 1HB PRO 37 -5.168 -0.662 -7.974 221 1HG PRO 37 2HG PRO 37 -3.469 1.313 -6.604 222 2HG PRO 37 1HG PRO 37 -5.138 1.453 -7.169 223 1HD PRO 37 2HD PRO 37 -4.275 1.016 -4.516 224 2HD PRO 37 1HD PRO 37 -5.941 0.936 -5.127 225 H CYS 38 HN CCU 38 -3.327 -2.578 -4.110 226 HA CYS 38 HA CCU 38 -0.564 -1.794 -4.294 227 1HB CYS 38 2HB CCU 38 -2.249 -2.558 -2.375 228 2HB CYS 38 1HB CCU 38 -1.533 -4.125 -2.703 229 H GLY 39 H GLY 39 0.798 -4.094 -3.651 230 1HA GLY 39 2HA GLY 39 1.319 -5.253 -6.235 231 2HA GLY 39 1HA GLY 39 2.015 -5.805 -4.712 232 H ASN 40 HN ASN 40 0.299 -6.960 -3.252 233 HA ASN 40 HA ASN 40 -1.431 -8.699 -4.982 234 1HB ASN 40 2HB ASN 40 0.828 -9.273 -3.217 235 2HB ASN 40 1HB ASN 40 -0.602 -10.213 -2.788 236 1HD2 ASN 40 2HD2 ASN 40 1.521 -11.507 -5.845 237 2HD2 ASN 40 1HD2 ASN 40 2.104 -10.573 -4.552 Start of MODEL 10 1 1H GLN 1 1H GLN 1 6.209 -2.793 -10.857 2 2H GLN 1 3H GLN 1 6.656 -3.357 -12.392 3 3H GLN 1 2H GLN 1 6.678 -4.414 -11.062 4 HA GLN 1 HA GLN 1 8.632 -3.594 -10.238 5 1HB GLN 1 2HB GLN 1 8.642 -2.959 -13.208 6 2HB GLN 1 1HB GLN 1 10.079 -3.240 -12.224 7 1HG GLN 1 2HG GLN 1 8.164 -5.382 -11.854 8 2HG GLN 1 1HG GLN 1 8.551 -5.185 -13.564 9 1HE2 GLN 1 2HE2 GLN 1 11.814 -5.791 -11.132 10 2HE2 GLN 1 1HE2 GLN 1 10.612 -4.694 -10.647 11 H ASN 2 H ASN 2 7.330 -1.635 -9.196 12 HA ASN 2 HA ASN 2 8.628 0.877 -10.187 13 1HB ASN 2 2HB ASN 2 6.422 1.986 -9.565 14 2HB ASN 2 1HB ASN 2 6.343 0.909 -10.960 15 1HD2 ASN 2 2HD2 ASN 2 3.640 -0.711 -9.364 16 2HD2 ASN 2 1HD2 ASN 2 4.180 0.150 -10.723 17 H GLU 3 H GLU 3 9.282 2.284 -8.513 18 HA GLU 3 HA GLU 3 9.454 1.091 -5.823 19 1HB GLU 3 2HB GLU 3 10.700 3.257 -7.421 20 2HB GLU 3 1HB GLU 3 10.619 3.552 -5.685 21 1HG GLU 3 2HG GLU 3 11.427 0.895 -5.860 22 2HG GLU 3 1HG GLU 3 12.310 1.689 -7.165 23 H GLY 4 H GLY 4 7.692 1.374 -4.502 24 1HA GLY 4 2HA GLY 4 5.888 3.655 -4.839 25 2HA GLY 4 1HA GLY 4 5.731 2.379 -3.632 26 H HIS 5 H HIS 5 5.997 3.108 -1.581 27 HA HIS 5 HA HIS 5 8.239 4.902 -0.927 28 1HB HIS 5 2HB HIS 5 6.331 6.384 0.247 29 2HB HIS 5 1HB HIS 5 6.853 6.685 -1.407 30 HD1 HIS 5 HD1 HIS 5 4.469 3.983 -0.109 31 HD2 HIS 5 HD2 HIS 5 4.498 7.218 -2.726 32 HE1 HIS 5 HE1 HIS 5 2.204 4.016 -1.236 33 H GLU 6 H GLU 6 5.413 4.964 1.089 34 HA GLU 6 HA GLU 6 6.569 2.780 2.785 35 1HB GLU 6 2HB GLU 6 6.084 4.254 4.736 36 2HB GLU 6 1HB GLU 6 7.245 4.987 3.628 37 1HG GLU 6 2HG GLU 6 4.790 5.815 2.624 38 2HG GLU 6 1HG GLU 6 4.566 5.892 4.371 39 H CYS 7 HN CNP 7 4.905 1.256 2.432 40 HA CYS 7 HA CNP 7 2.138 2.027 2.348 41 1HB CYS 7 2HB CNP 7 2.503 0.188 1.054 42 2HB CYS 7 1HB CNP 7 3.805 -0.413 1.992 43 H GLN 8 H GLN 8 1.936 3.058 4.406 44 HA GLN 8 HA GLN 8 2.282 1.372 6.812 45 1HB GLN 8 2HB GLN 8 0.992 4.109 6.474 46 2HB GLN 8 1HB GLN 8 1.622 3.413 7.967 47 1HG GLN 8 2HG GLN 8 3.181 4.368 5.557 48 2HG GLN 8 1HG GLN 8 3.300 4.935 7.222 49 1HE2 GLN 8 2HE2 GLN 8 4.744 1.486 8.010 50 2HE2 GLN 8 1HE2 GLN 8 3.229 2.166 8.359 51 H CYS 9 HN CCU 9 0.467 0.966 4.322 52 HA CYS 9 HA CCU 9 -2.230 1.371 4.765 53 1HB CYS 9 2HB CCU 9 -0.652 -0.941 3.640 54 2HB CYS 9 1HB CCU 9 -2.372 -0.723 3.443 55 H GLN 10 H GLN 10 -3.655 0.692 6.122 56 HA GLN 10 HA GLN 10 -3.008 -1.523 8.028 57 1HB GLN 10 2HB GLN 10 -4.384 1.115 8.164 58 2HB GLN 10 1HB GLN 10 -5.132 -0.186 9.092 59 1HG GLN 10 2HG GLN 10 -2.804 -0.655 10.040 60 2HG GLN 10 1HG GLN 10 -2.317 0.888 9.337 61 1HE2 GLN 10 2HE2 GLN 10 -3.331 2.194 12.501 62 2HE2 GLN 10 1HE2 GLN 10 -1.993 1.736 11.564 63 H CYS 11 HN CNP 11 -4.296 -1.226 5.157 64 HA CYS 11 HA CNP 11 -7.016 -1.868 5.178 65 1HB CYS 11 2HB CNP 11 -4.797 -2.923 3.404 66 2HB CYS 11 1HB CNP 11 -6.475 -2.727 2.979 67 H GLY 12 H GLY 12 -7.000 -4.413 3.822 68 1HA GLY 12 2HA GLY 12 -6.586 -6.230 6.155 69 2HA GLY 12 1HA GLY 12 -7.786 -6.494 4.886 70 H SER 13 H SER 13 -5.697 -5.525 2.893 71 HA SER 13 HA SER 13 -4.302 -8.145 2.633 72 1HB SER 13 2HB SER 13 -4.529 -7.837 0.335 73 2HB SER 13 1HB SER 13 -5.938 -6.950 0.909 74 HG SER 13 HG SER 13 -4.686 -5.720 -0.559 75 H CYS 14 HN CCU 14 -3.704 -5.120 3.771 76 HA CYS 14 HA CCU 14 -0.940 -4.954 2.757 77 1HB CYS 14 2HB CCU 14 -3.016 -3.161 3.880 78 2HB CYS 14 1HB CCU 14 -1.352 -2.749 4.190 79 H LYS 15 H LYS 15 -2.885 -5.253 5.553 80 HA LYS 15 HA LYS 15 -0.846 -5.052 7.579 81 1HB LYS 15 2HB LYS 15 -2.601 -5.901 9.021 82 2HB LYS 15 1HB LYS 15 -3.356 -4.842 7.828 83 1HG LYS 15 2HG LYS 15 -4.757 -6.634 7.561 84 2HG LYS 15 1HG LYS 15 -3.473 -7.186 6.486 85 1HD LYS 15 2HD LYS 15 -3.239 -9.003 7.793 86 2HD LYS 15 1HD LYS 15 -2.676 -7.942 9.084 87 1HE LYS 15 2HE LYS 15 -4.506 -8.749 10.208 88 2HE LYS 15 1HE LYS 15 -5.399 -7.572 9.224 89 1HZ LYS 15 1HZ LYS 15 -4.711 -10.143 8.007 90 2HZ LYS 15 3HZ LYS 15 -5.976 -10.127 9.137 91 3HZ LYS 15 2HZ LYS 15 -6.067 -9.152 7.749 92 H ASN 16 H ASN 16 -1.446 -7.454 5.245 93 HA ASN 16 HA ASN 16 0.002 -9.501 6.895 94 1HB ASN 16 2HB ASN 16 -2.496 -9.693 5.924 95 2HB ASN 16 1HB ASN 16 -1.615 -10.238 4.496 96 1HD2 ASN 16 2HD2 ASN 16 -1.815 -12.632 7.782 97 2HD2 ASN 16 1HD2 ASN 16 -2.495 -11.078 7.795 98 H ASN 17 H ASN 17 -0.197 -7.828 3.795 99 HA ASN 17 HA ASN 17 2.062 -9.415 2.695 100 1HB ASN 17 2HB ASN 17 -0.034 -7.535 1.715 101 2HB ASN 17 1HB ASN 17 1.477 -7.581 0.809 102 1HD2 ASN 17 2HD2 ASN 17 1.033 -11.054 -0.145 103 2HD2 ASN 17 1HD2 ASN 17 2.247 -9.962 0.316 104 H GLU 18 H GLU 18 3.795 -8.633 4.053 105 HA GLU 18 HA GLU 18 4.316 -5.732 4.164 106 1HB GLU 18 2HB GLU 18 5.932 -8.097 5.165 107 2HB GLU 18 1HB GLU 18 6.084 -6.420 5.691 108 1HG GLU 18 2HG GLU 18 3.986 -6.449 6.783 109 2HG GLU 18 1HG GLU 18 3.470 -7.906 5.934 110 H GLN 19 H GLN 19 4.673 -7.853 1.760 111 HA GLN 19 HA GLN 19 7.462 -7.556 1.040 112 1HB GLN 19 2HB GLN 19 5.035 -8.822 0.084 113 2HB GLN 19 1HB GLN 19 5.912 -8.075 -1.252 114 1HG GLN 19 2HG GLN 19 7.909 -9.307 -0.740 115 2HG GLN 19 1HG GLN 19 7.236 -9.878 0.787 116 1HE2 GLN 19 2HE2 GLN 19 6.807 -12.390 -2.102 117 2HE2 GLN 19 1HE2 GLN 19 8.143 -11.423 -1.699 118 H CYS 20 HN CCU 20 4.924 -5.418 1.090 119 HA CYS 20 HA CCU 20 6.294 -3.575 -0.798 120 1HB CYS 20 2HB CCU 20 4.041 -3.020 -1.643 121 2HB CYS 20 1HB CCU 20 4.405 -4.719 -1.902 122 H GLN 21 H GLN 21 5.892 -3.935 2.274 123 HA GLN 21 HA GLN 21 4.214 -1.724 3.097 124 1HB GLN 21 2HB GLN 21 4.687 -3.830 4.348 125 2HB GLN 21 1HB GLN 21 6.359 -3.304 4.539 126 1HG GLN 21 2HG GLN 21 5.662 -2.307 6.430 127 2HG GLN 21 1HG GLN 21 4.929 -1.103 5.371 128 1HE2 GLN 21 2HE2 GLN 21 2.356 -4.112 6.463 129 2HE2 GLN 21 1HE2 GLN 21 3.901 -4.506 5.884 130 H LYS 22 H LYS 22 6.998 -1.574 1.436 131 HA LYS 22 HA LYS 22 7.789 0.993 2.719 132 1HB LYS 22 2HB LYS 22 10.190 0.214 2.519 133 2HB LYS 22 1HB LYS 22 9.235 -0.681 3.703 134 1HG LYS 22 2HG LYS 22 9.081 -2.576 2.348 135 2HG LYS 22 1HG LYS 22 9.378 -1.663 0.868 136 1HD LYS 22 2HD LYS 22 11.649 -1.745 1.113 137 2HD LYS 22 1HD LYS 22 11.565 -1.609 2.869 138 1HE LYS 22 2HE LYS 22 10.695 -4.128 1.428 139 2HE LYS 22 1HE LYS 22 12.367 -3.876 1.969 140 1HZ LYS 22 3HZ LYS 22 11.301 -3.198 4.171 141 2HZ LYS 22 2HZ LYS 22 9.900 -3.969 3.597 142 3HZ LYS 22 1HZ LYS 22 11.338 -4.852 3.801 143 H SER 23 H SER 23 6.694 -0.368 0.028 144 HA SER 23 HA SER 23 7.907 1.660 -1.721 145 1HB SER 23 2HB SER 23 8.362 -1.318 -2.096 146 2HB SER 23 1HB SER 23 8.753 -0.097 -3.304 147 HG SER 23 HG SER 23 10.480 0.371 -2.209 148 H CYS 24 HN CNP 24 5.193 0.817 -0.758 149 HA CYS 24 HA CNP 24 3.841 -0.453 -2.987 150 1HB CYS 24 2HB CNP 24 2.195 -0.549 -1.375 151 2HB CYS 24 1HB CNP 24 3.531 -0.201 -0.341 152 H SER 25 H SER 25 2.431 0.622 -4.484 153 HA SER 25 HA SER 25 3.049 3.513 -4.873 154 1HB SER 25 2HB SER 25 3.284 1.620 -6.621 155 2HB SER 25 1HB SER 25 1.525 1.652 -6.707 156 HG SER 25 HG SER 25 1.599 3.549 -7.662 157 H CYS 26 HN CCU 26 1.391 3.330 -2.754 158 HA CYS 26 HA CCU 26 -1.434 3.356 -3.567 159 1HB CYS 26 2HB CCU 26 0.201 3.518 -1.083 160 2HB CYS 26 1HB CCU 26 -1.413 4.227 -1.022 161 HA PRO 27 HA PRO 27 -1.184 7.755 -4.315 162 1HB PRO 27 2HB PRO 27 -3.695 7.991 -5.363 163 2HB PRO 27 1HB PRO 27 -2.329 7.346 -6.292 164 1HG PRO 27 2HG PRO 27 -4.606 5.928 -5.058 165 2HG PRO 27 1HG PRO 27 -3.649 5.510 -6.485 166 1HD PRO 27 2HD PRO 27 -3.403 4.380 -3.933 167 2HD PRO 27 1HD PRO 27 -2.249 4.216 -5.273 168 H THR 28 H THR 28 -3.242 9.481 -3.879 169 HA THR 28 HA THR 28 -3.770 9.120 -0.987 170 HB THR 28 HB THR 28 -2.873 11.248 -1.979 171 HG1 THR 28 HG1 THR 28 -5.236 11.060 -0.537 172 1HG2 THR 28 2HG2 THR 28 -5.142 10.806 -3.735 173 2HG2 THR 28 1HG2 THR 28 -5.192 12.419 -3.023 174 3HG2 THR 28 3HG2 THR 28 -3.774 11.902 -3.935 175 H GLY 29 H GLY 29 -5.127 7.310 -2.518 176 1HA GLY 29 2HA GLY 29 -7.940 8.143 -2.038 177 2HA GLY 29 1HA GLY 29 -7.521 7.368 -3.573 178 H CYS 30 HN CCU 30 -5.619 6.377 -0.915 179 HA CYS 30 HA CCU 30 -6.926 3.702 -0.965 180 1HB CYS 30 2HB CCU 30 -4.385 4.466 -1.167 181 2HB CYS 30 1HB CCU 30 -4.469 4.404 0.590 182 H ASN 31 H ASN 31 -8.575 5.448 0.300 183 HA ASN 31 HA ASN 31 -8.009 5.456 3.208 184 1HB ASN 31 2HB ASN 31 -9.332 7.092 1.364 185 2HB ASN 31 1HB ASN 31 -10.627 6.381 2.326 186 1HD2 ASN 31 2HD2 ASN 31 -9.945 9.026 4.604 187 2HD2 ASN 31 1HD2 ASN 31 -11.027 8.436 3.439 188 H SER 32 H SER 32 -9.357 3.254 1.051 189 HA SER 32 HA SER 32 -11.021 2.065 3.247 190 1HB SER 32 2HB SER 32 -11.705 2.945 0.526 191 2HB SER 32 1HB SER 32 -12.237 1.304 0.885 192 HG SER 32 HG SER 32 -12.633 3.249 2.842 193 H ASP 33 H ASP 33 -11.423 -0.327 2.812 194 HA ASP 33 HA ASP 33 -8.890 -1.608 2.022 195 1HB ASP 33 2HB ASP 33 -11.516 -2.689 3.099 196 2HB ASP 33 1HB ASP 33 -10.008 -3.597 2.987 197 H ASP 34 H ASP 34 -11.352 -0.496 0.241 198 HA ASP 34 HA ASP 34 -11.183 -2.775 -1.688 199 1HB ASP 34 2HB ASP 34 -13.575 -2.051 -2.299 200 2HB ASP 34 1HB ASP 34 -13.388 -2.832 -0.728 201 H LYS 35 H LYS 35 -9.517 -0.562 -1.560 202 HA LYS 35 HA LYS 35 -9.795 0.480 -4.269 203 1HB LYS 35 2HB LYS 35 -10.196 2.148 -1.778 204 2HB LYS 35 1HB LYS 35 -9.586 2.888 -3.260 205 1HG LYS 35 2HG LYS 35 -11.617 1.758 -4.412 206 2HG LYS 35 1HG LYS 35 -12.258 1.576 -2.778 207 1HD LYS 35 2HD LYS 35 -12.050 4.001 -2.412 208 2HD LYS 35 1HD LYS 35 -11.387 4.195 -4.035 209 1HE LYS 35 2HE LYS 35 -13.689 2.826 -4.593 210 2HE LYS 35 1HE LYS 35 -14.194 3.797 -3.196 211 1HZ LYS 35 2HZ LYS 35 -13.089 5.723 -4.285 212 2HZ LYS 35 1HZ LYS 35 -12.885 4.771 -5.677 213 3HZ LYS 35 3HZ LYS 35 -14.446 5.146 -5.129 214 H CYS 36 HN CCU 36 -8.071 -1.174 -2.783 215 HA CYS 36 HA CCU 36 -5.589 0.460 -2.435 216 1HB CYS 36 2HB CCU 36 -6.469 -0.907 -0.567 217 2HB CYS 36 1HB CCU 36 -6.350 -2.345 -1.574 218 HA PRO 37 HA PRO 37 -4.647 -1.865 -6.263 219 1HB PRO 37 2HB PRO 37 -3.478 0.221 -7.584 220 2HB PRO 37 1HB PRO 37 -5.232 -0.046 -7.586 221 1HG PRO 37 2HG PRO 37 -3.634 1.954 -6.121 222 2HG PRO 37 1HG PRO 37 -5.305 2.037 -6.691 223 1HD PRO 37 2HD PRO 37 -4.465 1.534 -4.058 224 2HD PRO 37 1HD PRO 37 -6.105 1.320 -4.707 225 H CYS 38 HN CCU 38 -3.173 -2.046 -3.870 226 HA CYS 38 HA CCU 38 -0.515 -1.010 -3.952 227 1HB CYS 38 2HB CCU 38 -2.096 -2.205 -2.174 228 2HB CYS 38 1HB CCU 38 -1.226 -3.630 -2.711 229 H GLY 39 H GLY 39 1.099 -3.207 -3.633 230 1HA GLY 39 2HA GLY 39 1.890 -3.864 -6.267 231 2HA GLY 39 1HA GLY 39 2.381 -4.770 -4.835 232 H ASN 40 HN ASN 40 0.733 -6.368 -4.002 233 HA ASN 40 HA ASN 40 -0.001 -8.289 -5.900 234 1HB ASN 40 2HB ASN 40 -0.705 -7.562 -3.114 235 2HB ASN 40 1HB ASN 40 -1.855 -8.627 -3.923 236 1HD2 ASN 40 2HD2 ASN 40 0.203 -11.402 -3.303 237 2HD2 ASN 40 1HD2 ASN 40 -1.363 -10.751 -3.382 No H/Q in entry = 237
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