NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
13457 | 1uuc | 6110 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 LYS 1 1H LYS 1 -8.160 10.323 -1.940 2 H2 LYS 1 3H LYS 1 -8.609 10.860 -3.485 3 H3 LYS 1 2H LYS 1 -6.965 10.739 -3.074 4 HA LYS 1 HA LYS 1 -7.018 12.582 -1.694 5 1HB LYS 1 2HB LYS 1 -8.967 13.101 -3.961 6 2HB LYS 1 1HB LYS 1 -8.110 14.347 -3.053 7 1HG LYS 1 2HG LYS 1 -5.947 13.289 -3.759 8 2HG LYS 1 1HG LYS 1 -6.868 12.180 -4.774 9 1HD LYS 1 2HD LYS 1 -7.832 14.125 -5.985 10 2HD LYS 1 1HD LYS 1 -6.848 15.206 -4.999 11 1HE LYS 1 2HE LYS 1 -4.854 14.516 -5.997 12 2HE LYS 1 1HE LYS 1 -5.524 12.962 -6.495 13 1HZ LYS 1 2HZ LYS 1 -6.832 15.285 -7.622 14 2HZ LYS 1 1HZ LYS 1 -5.225 15.058 -8.125 15 3HZ LYS 1 3HZ LYS 1 -6.368 13.828 -8.365 16 H ASN 2 H ASN 2 -8.651 14.466 -0.948 17 HA ASN 2 HA ASN 2 -10.320 13.367 1.056 18 1HB ASN 2 2HB ASN 2 -10.472 16.092 -0.269 19 2HB ASN 2 1HB ASN 2 -11.279 15.657 1.237 20 1HD2 ASN 2 1HD2 ASN 2 -9.273 17.732 1.108 21 2HD2 ASN 2 2HD2 ASN 2 -7.927 17.215 2.003 22 H GLU 3 H GLU 3 -11.019 14.238 -2.288 23 HA GLU 3 HA GLU 3 -13.869 14.146 -2.132 24 1HB GLU 3 2HB GLU 3 -11.992 13.495 -4.423 25 2HB GLU 3 1HB GLU 3 -13.741 13.644 -4.592 26 1HG GLU 3 2HG GLU 3 -11.866 15.811 -3.593 27 2HG GLU 3 1HG GLU 3 -12.631 15.763 -5.181 28 H ASP 4 H ASP 4 -11.432 11.615 -2.425 29 HA ASP 4 HA ASP 4 -13.157 9.465 -3.152 30 1HB ASP 4 2HB ASP 4 -10.677 9.377 -1.404 31 2HB ASP 4 1HB ASP 4 -11.411 8.000 -2.226 32 H GLN 5 H GLN 5 -12.570 11.066 -0.088 33 HA GLN 5 HA GLN 5 -13.752 9.039 1.587 34 1HB GLN 5 2HB GLN 5 -13.416 12.025 1.997 35 2HB GLN 5 1HB GLN 5 -13.948 10.904 3.251 36 1HG GLN 5 2HG GLN 5 -11.848 9.647 3.044 37 2HG GLN 5 1HG GLN 5 -11.319 10.717 1.746 38 1HE2 GLN 5 1HE2 GLN 5 -9.758 10.508 4.103 39 2HE2 GLN 5 2HE2 GLN 5 -9.862 11.964 4.969 40 H GLU 6 H GLU 6 -15.043 11.733 -0.280 41 HA GLU 6 HA GLU 6 -17.627 11.893 0.883 42 1HB GLU 6 2HB GLU 6 -16.782 12.289 -2.004 43 2HB GLU 6 1HB GLU 6 -18.341 12.779 -1.340 44 1HG GLU 6 2HG GLU 6 -17.144 14.207 0.319 45 2HG GLU 6 1HG GLU 6 -15.616 13.773 -0.449 46 H MET 7 H MET 7 -16.379 9.770 -1.688 47 HA MET 7 HA MET 7 -18.843 8.494 -2.327 48 1HB MET 7 2HB MET 7 -15.956 7.657 -2.509 49 2HB MET 7 1HB MET 7 -17.244 6.532 -2.939 50 1HG MET 7 2HG MET 7 -18.139 8.185 -4.551 51 2HG MET 7 1HG MET 7 -16.829 9.290 -4.136 52 1HE MET 7 1HE MET 7 -14.367 8.133 -3.854 53 2HE MET 7 3HE MET 7 -14.839 6.449 -3.588 54 3HE MET 7 2HE MET 7 -13.761 6.867 -4.918 55 H CYS 8 H CYS 8 -16.580 8.027 0.315 56 HA CYS 8 HA CYS 8 -17.734 5.501 1.179 57 1HB CYS 8 2HB CYS 8 -15.411 6.132 1.751 58 2HB CYS 8 1HB CYS 8 -16.018 7.488 2.701 59 H HIS 9 H HIS 9 -18.555 8.833 1.557 60 HA HIS 9 HA HIS 9 -19.897 8.816 4.048 61 1HB HIS 9 2HB HIS 9 -19.626 10.909 2.906 62 2HB HIS 9 1HB HIS 9 -20.475 10.313 1.480 63 HD1 HIS 9 HD1 HIS 9 -23.091 9.619 1.964 64 HD2 HIS 9 HD2 HIS 9 -21.292 12.181 4.717 65 HE1 HIS 9 HE1 HIS 9 -24.972 10.710 3.262 66 H GLU 10 H GLU 10 -21.361 8.296 0.812 67 HA GLU 10 HA GLU 10 -23.884 7.421 1.827 68 1HB GLU 10 2HB GLU 10 -22.534 6.708 -0.796 69 2HB GLU 10 1HB GLU 10 -24.250 6.510 -0.437 70 1HG GLU 10 2HG GLU 10 -24.448 8.946 -0.062 71 2HG GLU 10 1HG GLU 10 -22.735 9.139 -0.436 72 H PHE 11 H PHE 11 -20.889 5.689 1.084 73 HA PHE 11 HA PHE 11 -22.076 3.068 1.605 74 1HB PHE 11 2HB PHE 11 -19.411 4.137 0.853 75 2HB PHE 11 1HB PHE 11 -19.399 2.641 1.785 76 HD1 PHE 11 HD1 PHE 11 -22.365 3.279 -0.214 77 HD2 PHE 11 HD2 PHE 11 -18.438 1.540 -0.282 78 HE1 PHE 11 HE1 PHE 11 -22.964 2.000 -2.250 79 HE2 PHE 11 HE2 PHE 11 -19.038 0.262 -2.312 80 HZ PHE 11 HZ PHE 11 -21.300 0.493 -3.302 81 H GLN 12 H GLN 12 -21.059 5.646 3.522 82 HA GLN 12 HA GLN 12 -20.001 4.100 5.757 83 1HB GLN 12 2HB GLN 12 -19.367 6.471 5.390 84 2HB GLN 12 1HB GLN 12 -21.042 6.950 5.663 85 1HG GLN 12 2HG GLN 12 -20.927 5.945 7.938 86 2HG GLN 12 1HG GLN 12 -19.229 5.558 7.659 87 1HE2 GLN 12 1HE2 GLN 12 -17.943 7.075 8.713 88 2HE2 GLN 12 2HE2 GLN 12 -18.258 8.742 8.786 89 H ALA 13 H ALA 13 -23.112 5.537 4.852 90 HA ALA 13 HA ALA 13 -24.434 4.885 7.340 91 1HB ALA 13 2HB ALA 13 -26.321 4.923 5.204 92 2HB ALA 13 1HB ALA 13 -26.003 6.192 6.387 93 3HB ALA 13 3HB ALA 13 -25.116 6.164 4.862 94 H PHE 14 H PHE 14 -23.894 3.214 4.287 95 HA PHE 14 HA PHE 14 -25.678 0.998 4.934 96 1HB PHE 14 2HB PHE 14 -23.531 1.380 2.829 97 2HB PHE 14 1HB PHE 14 -24.488 -0.095 2.972 98 HD1 PHE 14 HD1 PHE 14 -27.121 0.338 3.197 99 HD2 PHE 14 HD2 PHE 14 -24.310 3.049 1.405 100 HE1 PHE 14 HE1 PHE 14 -28.965 1.413 1.934 101 HE2 PHE 14 HE2 PHE 14 -26.156 4.124 0.141 102 HZ PHE 14 HZ PHE 14 -28.482 3.306 0.407 103 H MET 15 H MET 15 -22.764 1.963 6.193 104 HA MET 15 HA MET 15 -21.481 -0.654 6.413 105 1HB MET 15 2HB MET 15 -20.405 1.742 6.489 106 2HB MET 15 1HB MET 15 -20.847 1.683 8.195 107 1HG MET 15 2HG MET 15 -19.254 -0.488 6.803 108 2HG MET 15 1HG MET 15 -18.516 0.843 7.694 109 1HE MET 15 1HE MET 15 -19.115 1.581 9.748 110 2HE MET 15 3HE MET 15 -20.547 0.999 10.607 111 3HE MET 15 2HE MET 15 -18.940 0.499 11.127 112 H LYS 16 H LYS 16 -21.748 -2.105 8.076 113 HA LYS 16 HA LYS 16 -23.076 -1.202 10.570 114 1HB LYS 16 2HB LYS 16 -24.137 -3.427 8.804 115 2HB LYS 16 1HB LYS 16 -24.690 -3.107 10.447 116 1HG LYS 16 2HG LYS 16 -25.278 -0.773 9.724 117 2HG LYS 16 1HG LYS 16 -24.880 -1.236 8.069 118 1HD LYS 16 2HD LYS 16 -26.568 -3.075 8.230 119 2HD LYS 16 1HD LYS 16 -27.018 -2.478 9.827 120 1HE LYS 16 2HE LYS 16 -28.226 -0.769 8.959 121 2HE LYS 16 1HE LYS 16 -26.969 -0.370 7.789 122 1HZ LYS 16 2HZ LYS 16 -28.902 -2.611 7.539 123 2HZ LYS 16 1HZ LYS 16 -28.998 -1.132 6.709 124 3HZ LYS 16 3HZ LYS 16 -27.709 -2.191 6.404 125 H ASN 17 H ASN 17 -22.610 -2.563 12.356 126 HA ASN 17 HA ASN 17 -21.181 -3.964 13.589 127 1HB ASN 17 2HB ASN 17 -21.716 -5.722 11.174 128 2HB ASN 17 1HB ASN 17 -21.022 -6.283 12.695 129 1HD2 ASN 17 1HD2 ASN 17 -23.534 -7.291 11.712 130 2HD2 ASN 17 2HD2 ASN 17 -24.759 -6.779 12.770 131 H GLY 18 H GLY 18 -19.939 -2.078 11.664 132 1HA GLY 18 1HA GLY 18 -17.242 -3.153 11.766 133 2HA GLY 18 2HA GLY 18 -17.709 -1.603 11.062 134 H LYS 19 H LYS 19 -19.821 -3.327 9.537 135 HA LYS 19 HA LYS 19 -17.940 -4.349 7.447 136 1HB LYS 19 2HB LYS 19 -19.537 -5.990 8.603 137 2HB LYS 19 1HB LYS 19 -20.839 -5.140 7.771 138 1HG LYS 19 2HG LYS 19 -18.999 -5.568 5.749 139 2HG LYS 19 1HG LYS 19 -18.870 -7.041 6.710 140 1HD LYS 19 2HD LYS 19 -21.480 -7.007 6.668 141 2HD LYS 19 1HD LYS 19 -21.279 -5.916 5.298 142 1HE LYS 19 2HE LYS 19 -20.524 -7.575 3.931 143 2HE LYS 19 1HE LYS 19 -19.576 -8.328 5.213 144 1HZ LYS 19 1HZ LYS 19 -21.996 -8.849 6.103 145 2HZ LYS 19 3HZ LYS 19 -22.354 -8.775 4.447 146 3HZ LYS 19 2HZ LYS 19 -21.192 -9.877 5.014 147 H LEU 20 H LEU 20 -18.446 -3.818 5.249 148 HA LEU 20 HA LEU 20 -20.135 -1.377 5.005 149 1HB LEU 20 2HB LEU 20 -17.612 -1.666 4.201 150 2HB LEU 20 1HB LEU 20 -18.388 -2.370 2.782 151 HG LEU 20 HG LEU 20 -18.967 0.377 3.938 152 1HD1 LEU 20 3HD1 LEU 20 -17.045 -0.631 1.987 153 2HD1 LEU 20 2HD1 LEU 20 -18.114 0.584 1.287 154 3HD1 LEU 20 1HD1 LEU 20 -17.158 0.969 2.719 155 1HD2 LEU 20 2HD2 LEU 20 -20.321 -1.344 1.944 156 2HD2 LEU 20 1HD2 LEU 20 -20.968 -0.019 2.913 157 3HD2 LEU 20 3HD2 LEU 20 -20.057 0.326 1.442 158 H PHE 21 H PHE 21 -22.219 -2.093 4.601 159 HA PHE 21 HA PHE 21 -22.692 -4.357 2.787 160 1HB PHE 21 2HB PHE 21 -24.547 -2.460 4.252 161 2HB PHE 21 1HB PHE 21 -25.119 -3.753 3.196 162 HD1 PHE 21 HD1 PHE 21 -23.167 -3.026 6.276 163 HD2 PHE 21 HD2 PHE 21 -25.109 -6.036 3.907 164 HE1 PHE 21 HE1 PHE 21 -22.896 -4.655 8.126 165 HE2 PHE 21 HE2 PHE 21 -24.837 -7.667 5.756 166 HZ PHE 21 HZ PHE 21 -23.731 -6.976 7.865 167 H CYS 22 H CYS 22 -21.342 -2.783 1.228 168 HA CYS 22 HA CYS 22 -22.623 -0.580 -0.023 169 1HB CYS 22 2HB CYS 22 -21.128 -1.248 -2.014 170 2HB CYS 22 1HB CYS 22 -20.322 -0.873 -0.491 171 HA PRO 23 HA PRO 23 -25.834 -3.048 -2.053 172 1HB PRO 23 2HB PRO 23 -27.469 -0.967 -2.555 173 2HB PRO 23 1HB PRO 23 -27.373 -1.744 -0.974 174 1HG PRO 23 2HG PRO 23 -26.238 0.844 -1.889 175 2HG PRO 23 1HG PRO 23 -26.844 0.388 -0.297 176 1HD PRO 23 1HD PRO 23 -24.161 0.532 -1.016 177 2HD PRO 23 2HD PRO 23 -24.796 -0.327 0.385 178 H GLN 24 H GLN 24 -26.903 -2.801 -4.256 179 HA GLN 24 HA GLN 24 -24.877 -1.965 -6.208 180 1HB GLN 24 2HB GLN 24 -27.605 -3.252 -6.474 181 2HB GLN 24 1HB GLN 24 -26.606 -2.824 -7.862 182 1HG GLN 24 2HG GLN 24 -24.782 -4.243 -6.980 183 2HG GLN 24 1HG GLN 24 -25.791 -4.678 -5.601 184 1HE2 GLN 24 1HE2 GLN 24 -24.907 -6.749 -7.267 185 2HE2 GLN 24 2HE2 GLN 24 -26.206 -7.347 -8.182 186 H ASP 25 H ASP 25 -24.780 0.156 -6.772 187 HA ASP 25 HA ASP 25 -27.173 1.861 -6.545 188 1HB ASP 25 2HB ASP 25 -24.896 2.654 -5.845 189 2HB ASP 25 1HB ASP 25 -24.398 2.579 -7.535 190 H LYS 26 H LYS 26 -28.493 2.306 -8.246 191 HA LYS 26 HA LYS 26 -28.252 1.049 -10.771 192 1HB LYS 26 2HB LYS 26 -29.736 3.589 -10.028 193 2HB LYS 26 1HB LYS 26 -29.969 2.693 -11.529 194 1HG LYS 26 2HG LYS 26 -30.579 0.678 -10.186 195 2HG LYS 26 1HG LYS 26 -30.447 1.651 -8.720 196 1HD LYS 26 2HD LYS 26 -32.182 3.193 -9.626 197 2HD LYS 26 1HD LYS 26 -32.351 2.141 -11.032 198 1HE LYS 26 2HE LYS 26 -32.762 1.235 -8.167 199 2HE LYS 26 1HE LYS 26 -34.068 1.706 -9.254 200 1HZ LYS 26 1HZ LYS 26 -32.111 -0.463 -9.787 201 2HZ LYS 26 3HZ LYS 26 -33.693 -0.700 -9.222 202 3HZ LYS 26 2HZ LYS 26 -33.434 -0.037 -10.765 203 H LYS 27 H LYS 27 -26.985 4.112 -9.605 204 HA LYS 27 HA LYS 27 -26.007 4.782 -12.329 205 1HB LYS 27 2HB LYS 27 -27.067 6.575 -10.976 206 2HB LYS 27 1HB LYS 27 -25.822 6.360 -9.745 207 1HG LYS 27 2HG LYS 27 -25.181 8.218 -11.176 208 2HG LYS 27 1HG LYS 27 -24.092 6.867 -11.490 209 1HD LYS 27 2HD LYS 27 -24.918 6.517 -13.599 210 2HD LYS 27 1HD LYS 27 -26.561 6.969 -13.141 211 1HE LYS 27 2HE LYS 27 -26.054 9.301 -13.257 212 2HE LYS 27 1HE LYS 27 -24.319 8.991 -13.336 213 1HZ LYS 27 1HZ LYS 27 -26.291 8.179 -15.402 214 2HZ LYS 27 3HZ LYS 27 -25.271 9.529 -15.510 215 3HZ LYS 27 2HZ LYS 27 -24.608 7.966 -15.481 216 HA PRO 28 HA PRO 28 -22.194 2.721 -10.991 217 1HB PRO 28 2HB PRO 28 -21.022 2.790 -13.424 218 2HB PRO 28 1HB PRO 28 -22.235 1.588 -12.977 219 1HG PRO 28 2HG PRO 28 -22.553 4.105 -14.567 220 2HG PRO 28 1HG PRO 28 -23.243 2.507 -14.865 221 1HD PRO 28 1HD PRO 28 -24.672 4.513 -13.739 222 2HD PRO 28 2HD PRO 28 -24.948 2.818 -13.339 223 H ILE 29 H ILE 29 -20.318 3.647 -10.256 224 HA ILE 29 HA ILE 29 -19.679 6.394 -11.251 225 HB ILE 29 HB ILE 29 -20.396 6.113 -8.807 226 1HG1 ILE 29 2HG1 ILE 29 -17.811 7.362 -9.715 227 2HG1 ILE 29 1HG1 ILE 29 -19.339 8.147 -9.328 228 1HG2 ILE 29 2HG2 ILE 29 -17.680 4.761 -8.721 229 2HG2 ILE 29 1HG2 ILE 29 -18.564 5.300 -7.293 230 3HG2 ILE 29 3HG2 ILE 29 -19.233 4.030 -8.318 231 1HD1 ILE 29 3HD1 ILE 29 -17.516 6.777 -7.333 232 2HD1 ILE 29 2HD1 ILE 29 -17.644 8.520 -7.564 233 3HD1 ILE 29 1HD1 ILE 29 -19.023 7.607 -6.950 234 H GLN 30 H GLN 30 -17.380 6.905 -11.425 235 HA GLN 30 HA GLN 30 -15.778 4.484 -12.077 236 1HB GLN 30 2HB GLN 30 -15.364 7.407 -12.779 237 2HB GLN 30 1HB GLN 30 -14.295 6.093 -13.272 238 1HG GLN 30 2HG GLN 30 -16.236 4.995 -14.401 239 2HG GLN 30 1HG GLN 30 -17.227 6.395 -13.990 240 1HE2 GLN 30 1HE2 GLN 30 -16.598 5.562 -16.728 241 2HE2 GLN 30 2HE2 GLN 30 -15.698 6.815 -17.435 242 H SER 31 H SER 31 -14.566 3.801 -10.377 243 HA SER 31 HA SER 31 -13.687 5.670 -8.299 244 1HB SER 31 2HB SER 31 -13.207 3.801 -7.050 245 2HB SER 31 1HB SER 31 -14.333 3.065 -8.192 246 HG SER 31 HG SER 31 -12.450 2.587 -9.494 247 H LEU 32 H LEU 32 -11.377 5.841 -7.689 248 HA LEU 32 HA LEU 32 -9.670 5.954 -10.124 249 1HB LEU 32 2HB LEU 32 -8.175 7.325 -8.525 250 2HB LEU 32 1HB LEU 32 -9.697 8.060 -9.031 251 HG LEU 32 HG LEU 32 -9.918 6.364 -6.630 252 1HD1 LEU 32 1HD1 LEU 32 -7.624 7.506 -6.444 253 2HD1 LEU 32 3HD1 LEU 32 -8.513 9.027 -6.359 254 3HD1 LEU 32 2HD1 LEU 32 -8.756 7.793 -5.122 255 1HD2 LEU 32 2HD2 LEU 32 -11.557 8.083 -7.774 256 2HD2 LEU 32 1HD2 LEU 32 -11.493 7.970 -6.015 257 3HD2 LEU 32 3HD2 LEU 32 -10.640 9.270 -6.846 258 H ASP 33 H ASP 33 -10.201 4.047 -7.377 259 HA ASP 33 HA ASP 33 -7.474 3.250 -6.828 260 1HB ASP 33 2HB ASP 33 -9.339 2.940 -5.210 261 2HB ASP 33 1HB ASP 33 -10.053 1.746 -6.294 262 H GLY 34 H GLY 34 -9.410 2.744 -9.507 263 1HA GLY 34 1HA GLY 34 -7.760 0.387 -10.286 264 2HA GLY 34 2HA GLY 34 -8.518 1.508 -11.417 265 H ILE 35 H ILE 35 -10.874 1.190 -9.262 266 HA ILE 35 HA ILE 35 -11.967 -1.295 -10.524 267 HB ILE 35 HB ILE 35 -12.778 -0.137 -7.847 268 1HG1 ILE 35 2HG1 ILE 35 -11.050 -2.575 -8.192 269 2HG1 ILE 35 1HG1 ILE 35 -10.318 -0.972 -8.124 270 1HG2 ILE 35 2HG2 ILE 35 -13.218 -2.824 -9.182 271 2HG2 ILE 35 1HG2 ILE 35 -13.708 -2.425 -7.535 272 3HG2 ILE 35 3HG2 ILE 35 -14.443 -1.587 -8.901 273 1HD1 ILE 35 3HD1 ILE 35 -12.204 -1.037 -6.029 274 2HD1 ILE 35 2HD1 ILE 35 -11.365 -2.586 -5.960 275 3HD1 ILE 35 1HD1 ILE 35 -10.448 -1.082 -5.877 276 H MET 36 H MET 36 -14.398 -1.242 -10.735 277 HA MET 36 HA MET 36 -15.254 1.508 -11.513 278 1HB MET 36 2HB MET 36 -16.276 -1.218 -12.360 279 2HB MET 36 1HB MET 36 -16.975 0.315 -12.883 280 1HG MET 36 2HG MET 36 -14.709 0.961 -13.771 281 2HG MET 36 1HG MET 36 -14.154 -0.671 -13.396 282 1HE MET 36 2HE MET 36 -15.507 -2.558 -13.768 283 2HE MET 36 1HE MET 36 -17.082 -2.508 -14.554 284 3HE MET 36 3HE MET 36 -15.658 -3.049 -15.453 285 H PHE 37 H PHE 37 -16.250 2.384 -9.734 286 HA PHE 37 HA PHE 37 -17.929 2.717 -8.139 287 1HB PHE 37 2HB PHE 37 -19.499 2.018 -9.885 288 2HB PHE 37 1HB PHE 37 -19.192 0.325 -9.503 289 HD1 PHE 37 HD1 PHE 37 -19.833 -0.589 -7.261 290 HD2 PHE 37 HD2 PHE 37 -20.969 3.352 -8.536 291 HE1 PHE 37 HE1 PHE 37 -21.550 -0.505 -5.474 292 HE2 PHE 37 HE2 PHE 37 -22.686 3.436 -6.750 293 HZ PHE 37 HZ PHE 37 -22.977 1.507 -5.218 294 H ILE 38 H ILE 38 -17.574 -0.813 -8.531 295 HA ILE 38 HA ILE 38 -18.039 -1.696 -5.975 296 HB ILE 38 HB ILE 38 -15.702 -2.551 -7.711 297 1HG1 ILE 38 2HG1 ILE 38 -17.742 -2.751 -8.967 298 2HG1 ILE 38 1HG1 ILE 38 -17.354 -4.365 -8.371 299 1HG2 ILE 38 3HG2 ILE 38 -16.019 -3.238 -5.137 300 2HG2 ILE 38 2HG2 ILE 38 -17.138 -4.395 -5.857 301 3HG2 ILE 38 1HG2 ILE 38 -15.442 -4.388 -6.343 302 1HD1 ILE 38 1HD1 ILE 38 -18.894 -3.987 -6.447 303 2HD1 ILE 38 3HD1 ILE 38 -19.329 -2.421 -7.134 304 3HD1 ILE 38 2HD1 ILE 38 -19.728 -3.905 -7.999 305 H ASN 39 H ASN 39 -15.313 0.242 -7.025 306 HA ASN 39 HA ASN 39 -13.495 -0.157 -4.926 307 1HB ASN 39 2HB ASN 39 -13.285 1.406 -6.967 308 2HB ASN 39 1HB ASN 39 -14.140 2.595 -5.985 309 1HD2 ASN 39 1HD2 ASN 39 -12.486 4.027 -5.342 310 2HD2 ASN 39 2HD2 ASN 39 -11.053 3.544 -4.570 311 H LYS 40 H LYS 40 -16.390 1.927 -4.979 312 HA LYS 40 HA LYS 40 -16.139 3.319 -2.619 313 1HB LYS 40 2HB LYS 40 -18.594 1.883 -3.660 314 2HB LYS 40 1HB LYS 40 -18.627 3.066 -2.353 315 1HG LYS 40 2HG LYS 40 -17.349 4.592 -4.056 316 2HG LYS 40 1HG LYS 40 -18.008 3.487 -5.262 317 1HD LYS 40 2HD LYS 40 -20.283 3.913 -4.430 318 2HD LYS 40 1HD LYS 40 -19.638 4.986 -3.188 319 1HE LYS 40 2HE LYS 40 -18.503 6.025 -5.461 320 2HE LYS 40 1HE LYS 40 -20.069 5.481 -6.062 321 1HZ LYS 40 3HZ LYS 40 -19.804 7.073 -3.583 322 2HZ LYS 40 2HZ LYS 40 -19.961 7.803 -5.110 323 3HZ LYS 40 1HZ LYS 40 -21.196 6.801 -4.513 324 H CYS 41 H CYS 41 -17.030 -0.095 -2.949 325 HA CYS 41 HA CYS 41 -17.393 -0.495 -0.098 326 1HB CYS 41 2HB CYS 41 -18.092 -1.933 -2.302 327 2HB CYS 41 1HB CYS 41 -16.665 -2.826 -1.776 328 H ALA 42 H ALA 42 -14.716 -1.015 -2.381 329 HA ALA 42 HA ALA 42 -13.005 -2.182 -0.319 330 1HB ALA 42 3HB ALA 42 -12.860 -2.673 -2.810 331 2HB ALA 42 1HB ALA 42 -11.328 -2.294 -2.022 332 3HB ALA 42 2HB ALA 42 -12.145 -1.072 -2.996 333 H THR 43 H THR 43 -13.692 1.021 -1.500 334 HA THR 43 HA THR 43 -11.262 2.122 -0.210 335 HB THR 43 HB THR 43 -13.252 4.020 -1.258 336 HG1 THR 43 HG1 THR 43 -13.485 3.177 -3.154 337 1HG2 THR 43 1HG2 THR 43 -10.479 3.855 -0.832 338 2HG2 THR 43 3HG2 THR 43 -10.678 3.930 -2.583 339 3HG2 THR 43 2HG2 THR 43 -11.359 5.197 -1.562 340 H CYS 44 H CYS 44 -14.799 2.660 -0.081 341 HA CYS 44 HA CYS 44 -14.815 4.296 2.222 342 1HB CYS 44 2HB CYS 44 -16.795 3.907 0.779 343 2HB CYS 44 1HB CYS 44 -16.900 2.255 1.386 344 H LYS 45 H LYS 45 -14.844 0.742 1.949 345 HA LYS 45 HA LYS 45 -15.278 0.109 4.666 346 1HB LYS 45 2HB LYS 45 -15.055 -1.498 2.694 347 2HB LYS 45 1HB LYS 45 -13.310 -1.357 2.896 348 1HG LYS 45 2HG LYS 45 -13.535 -2.121 5.239 349 2HG LYS 45 1HG LYS 45 -15.280 -2.271 5.016 350 1HD LYS 45 2HD LYS 45 -14.902 -3.924 3.215 351 2HD LYS 45 1HD LYS 45 -13.161 -3.782 3.453 352 1HE LYS 45 2HE LYS 45 -13.579 -4.445 5.885 353 2HE LYS 45 1HE LYS 45 -15.215 -4.874 5.387 354 1HZ LYS 45 2HZ LYS 45 -13.145 -5.920 3.677 355 2HZ LYS 45 1HZ LYS 45 -13.090 -6.520 5.265 356 3HZ LYS 45 3HZ LYS 45 -14.501 -6.698 4.342 357 H MET 46 H MET 46 -12.159 0.713 3.008 358 HA MET 46 HA MET 46 -10.613 0.535 5.441 359 1HB MET 46 2HB MET 46 -9.981 1.897 2.803 360 2HB MET 46 1HB MET 46 -8.814 1.592 4.090 361 1HG MET 46 2HG MET 46 -9.337 -0.853 3.909 362 2HG MET 46 1HG MET 46 -10.366 -0.489 2.523 363 1HE MET 46 2HE MET 46 -9.564 0.786 0.423 364 2HE MET 46 1HE MET 46 -8.729 2.018 1.366 365 3HE MET 46 3HE MET 46 -7.890 1.189 0.047 366 H ILE 47 H ILE 47 -12.482 3.051 3.925 367 HA ILE 47 HA ILE 47 -11.242 5.200 5.495 368 HB ILE 47 HB ILE 47 -13.770 5.193 3.814 369 1HG1 ILE 47 2HG1 ILE 47 -11.056 6.317 3.097 370 2HG1 ILE 47 1HG1 ILE 47 -11.535 4.675 2.667 371 1HG2 ILE 47 1HG2 ILE 47 -12.422 7.206 5.495 372 2HG2 ILE 47 3HG2 ILE 47 -12.776 7.754 3.856 373 3HG2 ILE 47 2HG2 ILE 47 -14.079 7.171 4.893 374 1HD1 ILE 47 1HD1 ILE 47 -13.094 7.170 1.926 375 2HD1 ILE 47 3HD1 ILE 47 -11.988 6.326 0.843 376 3HD1 ILE 47 2HD1 ILE 47 -13.450 5.521 1.413 377 H LEU 48 H LEU 48 -14.015 3.059 5.715 378 HA LEU 48 HA LEU 48 -15.296 4.561 7.866 379 1HB LEU 48 2HB LEU 48 -15.688 1.734 6.837 380 2HB LEU 48 1HB LEU 48 -16.672 2.460 8.107 381 HG LEU 48 HG LEU 48 -16.422 3.344 5.227 382 1HD1 LEU 48 2HD1 LEU 48 -18.053 1.507 5.988 383 2HD1 LEU 48 1HD1 LEU 48 -18.908 2.790 6.843 384 3HD1 LEU 48 3HD1 LEU 48 -18.740 2.860 5.088 385 1HD2 LEU 48 2HD2 LEU 48 -17.410 4.810 7.660 386 2HD2 LEU 48 1HD2 LEU 48 -16.416 5.412 6.333 387 3HD2 LEU 48 3HD2 LEU 48 -18.138 5.122 6.084 388 H GLU 49 H GLU 49 -12.868 2.064 7.601 389 HA GLU 49 HA GLU 49 -13.019 1.224 10.381 390 1HB GLU 49 2HB GLU 49 -10.869 0.895 8.268 391 2HB GLU 49 1HB GLU 49 -10.790 0.167 9.873 392 1HG GLU 49 2HG GLU 49 -12.919 -1.015 9.435 393 2HG GLU 49 1HG GLU 49 -12.980 -0.298 7.824 394 H LYS 50 H LYS 50 -11.155 3.605 8.547 395 HA LYS 50 HA LYS 50 -9.195 4.273 10.455 396 1HB LYS 50 2HB LYS 50 -9.353 5.221 8.139 397 2HB LYS 50 1HB LYS 50 -10.694 6.228 8.684 398 1HG LYS 50 2HG LYS 50 -9.213 7.233 10.406 399 2HG LYS 50 1HG LYS 50 -7.873 6.257 9.803 400 1HD LYS 50 2HD LYS 50 -8.194 7.318 7.551 401 2HD LYS 50 1HD LYS 50 -9.406 8.379 8.271 402 1HE LYS 50 2HE LYS 50 -7.445 9.670 8.395 403 2HE LYS 50 1HE LYS 50 -7.535 8.944 9.999 404 1HZ LYS 50 3HZ LYS 50 -6.099 7.543 7.851 405 2HZ LYS 50 2HZ LYS 50 -5.341 8.832 8.656 406 3HZ LYS 50 1HZ LYS 50 -5.859 7.470 9.528 407 H GLU 51 H GLU 51 -12.588 5.293 10.252 408 HA GLU 51 HA GLU 51 -12.497 7.225 12.357 409 1HB GLU 51 2HB GLU 51 -14.777 5.458 11.416 410 2HB GLU 51 1HB GLU 51 -14.960 6.831 12.508 411 1HG GLU 51 2HG GLU 51 -13.988 8.315 10.765 412 2HG GLU 51 1HG GLU 51 -13.886 6.934 9.672 413 H ALA 52 H ALA 52 -12.763 3.716 12.365 414 HA ALA 52 HA ALA 52 -13.611 3.400 15.081 415 1HB ALA 52 2HB ALA 52 -13.745 1.470 13.707 416 2HB ALA 52 3HB ALA 52 -12.427 1.124 14.827 417 3HB ALA 52 1HB ALA 52 -12.072 1.633 13.176 418 H LYS 53 H LYS 53 -10.514 4.145 13.645 419 HA LYS 53 HA LYS 53 -8.819 3.382 15.809 420 1HB LYS 53 2HB LYS 53 -8.533 5.637 13.800 421 2HB LYS 53 1HB LYS 53 -7.247 5.089 14.875 422 1HG LYS 53 2HG LYS 53 -7.467 2.798 13.896 423 2HG LYS 53 1HG LYS 53 -8.654 3.435 12.756 424 1HD LYS 53 2HD LYS 53 -6.932 5.076 11.966 425 2HD LYS 53 1HD LYS 53 -5.755 4.288 13.016 426 1HE LYS 53 2HE LYS 53 -7.341 2.681 11.022 427 2HE LYS 53 1HE LYS 53 -5.885 3.542 10.522 428 1HZ LYS 53 1HZ LYS 53 -5.447 2.136 12.945 429 2HZ LYS 53 3HZ LYS 53 -6.019 1.079 11.750 430 3HZ LYS 53 2HZ LYS 53 -4.624 2.005 11.465 431 H SER 54 H SER 54 -10.851 6.211 15.292 432 HA SER 54 HA SER 54 -9.764 7.891 17.318 433 1HB SER 54 2HB SER 54 -12.672 7.667 16.484 434 2HB SER 54 1HB SER 54 -11.908 9.051 17.266 435 HG SER 54 HG SER 54 -12.060 9.306 14.997 436 H GLN 55 H GLN 55 -11.834 5.076 17.495 437 HA GLN 55 HA GLN 55 -12.865 5.498 20.136 438 1HB GLN 55 2HB GLN 55 -12.309 2.941 18.602 439 2HB GLN 55 1HB GLN 55 -13.187 3.006 20.130 440 1HG GLN 55 2HG GLN 55 -14.865 4.494 19.118 441 2HG GLN 55 1HG GLN 55 -13.977 4.475 17.594 442 1HE2 GLN 55 1HE2 GLN 55 -16.669 3.538 17.706 443 2HE2 GLN 55 2HE2 GLN 55 -16.673 1.860 17.453 No H/Q in entry = 443 Start of MODEL 2 1 H1 LYS 1 2H LYS 1 11.347 -21.261 -5.743 2 H2 LYS 1 1H LYS 1 10.677 -21.201 -7.303 3 H3 LYS 1 3H LYS 1 12.359 -21.294 -7.107 4 HA LYS 1 HA LYS 1 12.432 -19.113 -6.131 5 1HB LYS 1 2HB LYS 1 10.816 -19.247 -8.696 6 2HB LYS 1 1HB LYS 1 11.652 -17.810 -8.108 7 1HG LYS 1 2HG LYS 1 13.794 -19.102 -8.137 8 2HG LYS 1 1HG LYS 1 12.926 -20.460 -8.852 9 1HD LYS 1 2HD LYS 1 12.244 -18.975 -10.742 10 2HD LYS 1 1HD LYS 1 13.229 -17.688 -10.045 11 1HE LYS 1 2HE LYS 1 14.787 -20.106 -10.201 12 2HE LYS 1 1HE LYS 1 14.080 -19.762 -11.780 13 1HZ LYS 1 3HZ LYS 1 15.516 -17.745 -10.147 14 2HZ LYS 1 2HZ LYS 1 16.258 -18.672 -11.363 15 3HZ LYS 1 1HZ LYS 1 15.007 -17.591 -11.757 16 H ASN 2 H ASN 2 9.139 -20.204 -6.888 17 HA ASN 2 HA ASN 2 7.727 -17.915 -5.993 18 1HB ASN 2 2HB ASN 2 6.775 -19.982 -7.149 19 2HB ASN 2 1HB ASN 2 6.809 -20.768 -5.571 20 1HD2 ASN 2 1HD2 ASN 2 4.342 -20.790 -5.924 21 2HD2 ASN 2 2HD2 ASN 2 3.470 -19.408 -5.465 22 H GLU 3 H GLU 3 9.159 -20.595 -4.190 23 HA GLU 3 HA GLU 3 7.949 -19.983 -1.659 24 1HB GLU 3 2HB GLU 3 10.586 -21.336 -2.309 25 2HB GLU 3 1HB GLU 3 9.843 -21.307 -0.710 26 1HG GLU 3 2HG GLU 3 7.827 -22.417 -1.653 27 2HG GLU 3 1HG GLU 3 8.627 -22.496 -3.223 28 H ASP 4 H ASP 4 10.761 -18.713 -3.353 29 HA ASP 4 HA ASP 4 11.996 -17.382 -1.151 30 1HB ASP 4 2HB ASP 4 11.922 -16.540 -4.065 31 2HB ASP 4 1HB ASP 4 13.073 -15.971 -2.856 32 H GLN 5 H GLN 5 9.168 -16.617 -3.055 33 HA GLN 5 HA GLN 5 9.019 -13.818 -2.398 34 1HB GLN 5 2HB GLN 5 7.705 -14.840 -4.233 35 2HB GLN 5 1HB GLN 5 6.778 -15.760 -3.048 36 1HG GLN 5 2HG GLN 5 6.013 -13.645 -2.015 37 2HG GLN 5 1HG GLN 5 6.926 -12.733 -3.218 38 1HE2 GLN 5 1HE2 GLN 5 4.334 -12.100 -3.352 39 2HE2 GLN 5 2HE2 GLN 5 3.521 -12.906 -4.605 40 H GLU 6 H GLU 6 8.315 -16.720 -0.630 41 HA GLU 6 HA GLU 6 6.522 -15.474 1.296 42 1HB GLU 6 2HB GLU 6 8.108 -18.057 1.374 43 2HB GLU 6 1HB GLU 6 6.953 -17.570 2.615 44 1HG GLU 6 2HG GLU 6 5.177 -17.444 0.883 45 2HG GLU 6 1HG GLU 6 6.338 -17.993 -0.326 46 H MET 7 H MET 7 9.992 -15.924 0.993 47 HA MET 7 HA MET 7 10.688 -15.366 3.718 48 1HB MET 7 2HB MET 7 12.230 -14.907 1.147 49 2HB MET 7 1HB MET 7 12.923 -14.754 2.761 50 1HG MET 7 2HG MET 7 11.703 -17.257 1.561 51 2HG MET 7 1HG MET 7 13.415 -16.975 1.877 52 1HE MET 7 2HE MET 7 14.294 -16.213 4.056 53 2HE MET 7 1HE MET 7 12.994 -15.294 4.810 54 3HE MET 7 3HE MET 7 13.697 -16.686 5.645 55 H CYS 8 H CYS 8 9.855 -13.316 0.993 56 HA CYS 8 HA CYS 8 10.858 -10.865 2.111 57 1HB CYS 8 2HB CYS 8 10.280 -11.123 -0.288 58 2HB CYS 8 1HB CYS 8 8.579 -11.268 0.153 59 H HIS 9 H HIS 9 7.712 -12.505 2.295 60 HA HIS 9 HA HIS 9 6.128 -10.584 3.512 61 1HB HIS 9 2HB HIS 9 5.079 -12.664 3.193 62 2HB HIS 9 1HB HIS 9 6.391 -13.551 3.964 63 HD1 HIS 9 HD1 HIS 9 6.667 -12.869 6.662 64 HD2 HIS 9 HD2 HIS 9 2.933 -12.315 4.895 65 HE1 HIS 9 HE1 HIS 9 4.997 -12.716 8.555 66 H GLU 10 H GLU 10 8.621 -12.588 5.076 67 HA GLU 10 HA GLU 10 8.245 -11.565 7.718 68 1HB GLU 10 2HB GLU 10 10.658 -12.770 6.339 69 2HB GLU 10 1HB GLU 10 10.636 -12.352 8.053 70 1HG GLU 10 2HG GLU 10 8.582 -13.804 8.291 71 2HG GLU 10 1HG GLU 10 8.838 -14.334 6.629 72 H PHE 11 H PHE 11 10.080 -10.351 4.944 73 HA PHE 11 HA PHE 11 11.323 -8.254 6.594 74 1HB PHE 11 2HB PHE 11 11.719 -9.341 3.907 75 2HB PHE 11 1HB PHE 11 11.740 -7.580 3.918 76 HD1 PHE 11 HD1 PHE 11 12.799 -7.226 6.776 77 HD2 PHE 11 HD2 PHE 11 14.064 -9.743 3.524 78 HE1 PHE 11 HE1 PHE 11 15.094 -7.277 7.702 79 HE2 PHE 11 HE2 PHE 11 16.354 -9.789 4.458 80 HZ PHE 11 HZ PHE 11 16.871 -8.560 6.547 81 H GLN 12 H GLN 12 8.442 -8.722 4.805 82 HA GLN 12 HA GLN 12 7.916 -6.046 3.946 83 1HB GLN 12 2HB GLN 12 6.580 -7.986 3.196 84 2HB GLN 12 1HB GLN 12 5.953 -8.185 4.833 85 1HG GLN 12 2HG GLN 12 5.022 -5.869 4.712 86 2HG GLN 12 1HG GLN 12 5.563 -5.771 3.036 87 1HE2 GLN 12 1HE2 GLN 12 4.030 -6.425 1.519 88 2HE2 GLN 12 2HE2 GLN 12 2.717 -7.451 1.840 89 H ALA 13 H ALA 13 7.549 -7.661 7.056 90 HA ALA 13 HA ALA 13 6.008 -5.513 8.266 91 1HB ALA 13 3HB ALA 13 7.647 -7.235 10.029 92 2HB ALA 13 1HB ALA 13 6.524 -8.097 8.978 93 3HB ALA 13 2HB ALA 13 5.922 -6.874 10.096 94 H PHE 14 H PHE 14 9.402 -6.213 7.794 95 HA PHE 14 HA PHE 14 10.263 -4.147 9.704 96 1HB PHE 14 2HB PHE 14 11.777 -5.854 7.707 97 2HB PHE 14 1HB PHE 14 12.546 -4.687 8.784 98 HD1 PHE 14 HD1 PHE 14 12.258 -4.955 11.293 99 HD2 PHE 14 HD2 PHE 14 11.136 -8.006 8.485 100 HE1 PHE 14 HE1 PHE 14 12.247 -6.632 13.120 101 HE2 PHE 14 HE2 PHE 14 11.125 -9.683 10.311 102 HZ PHE 14 HZ PHE 14 11.681 -8.996 12.629 103 H MET 15 H MET 15 8.921 -4.047 6.687 104 HA MET 15 HA MET 15 10.661 -2.030 5.481 105 1HB MET 15 2HB MET 15 9.073 -3.718 4.285 106 2HB MET 15 1HB MET 15 7.808 -2.549 4.663 107 1HG MET 15 2HG MET 15 10.382 -1.796 3.256 108 2HG MET 15 1HG MET 15 8.911 -2.246 2.393 109 1HE MET 15 2HE MET 15 6.785 -1.597 3.245 110 2HE MET 15 1HE MET 15 6.501 -0.391 4.498 111 3HE MET 15 3HE MET 15 6.391 0.059 2.791 112 H LYS 16 H LYS 16 10.515 0.146 5.807 113 HA LYS 16 HA LYS 16 7.990 1.245 6.943 114 1HB LYS 16 2HB LYS 16 10.757 1.828 8.041 115 2HB LYS 16 1HB LYS 16 9.247 2.542 8.606 116 1HG LYS 16 2HG LYS 16 8.433 0.207 9.119 117 2HG LYS 16 1HG LYS 16 10.057 -0.375 8.751 118 1HD LYS 16 2HD LYS 16 10.991 1.054 10.515 119 2HD LYS 16 1HD LYS 16 9.387 1.702 10.859 120 1HE LYS 16 2HE LYS 16 8.611 -0.364 11.714 121 2HE LYS 16 1HE LYS 16 9.937 -1.264 10.977 122 1HZ LYS 16 1HZ LYS 16 10.729 0.824 12.821 123 2HZ LYS 16 3HZ LYS 16 9.902 -0.477 13.527 124 3HZ LYS 16 2HZ LYS 16 11.326 -0.756 12.644 125 H ASN 17 H ASN 17 7.658 3.473 6.436 126 HA ASN 17 HA ASN 17 7.727 5.261 4.905 127 1HB ASN 17 2HB ASN 17 10.701 5.035 5.452 128 2HB ASN 17 1HB ASN 17 9.836 6.472 4.910 129 1HD2 ASN 17 1HD2 ASN 17 7.532 6.253 6.628 130 2HD2 ASN 17 2HD2 ASN 17 8.044 6.490 8.229 131 H GLY 18 H GLY 18 7.958 2.536 3.762 132 1HA GLY 18 1HA GLY 18 8.723 3.312 1.074 133 2HA GLY 18 2HA GLY 18 8.218 1.697 1.575 134 H LYS 19 H LYS 19 10.334 1.845 3.760 135 HA LYS 19 HA LYS 19 12.680 1.234 2.006 136 1HB LYS 19 2HB LYS 19 12.848 3.337 3.463 137 2HB LYS 19 1HB LYS 19 12.855 2.249 4.850 138 1HG LYS 19 2HG LYS 19 14.724 1.110 3.143 139 2HG LYS 19 1HG LYS 19 14.994 2.841 2.938 140 1HD LYS 19 2HD LYS 19 14.889 2.926 5.542 141 2HD LYS 19 1HD LYS 19 15.177 1.189 5.450 142 1HE LYS 19 2HE LYS 19 16.920 3.276 4.108 143 2HE LYS 19 1HE LYS 19 17.284 2.537 5.667 144 1HZ LYS 19 3HZ LYS 19 17.165 0.351 4.530 145 2HZ LYS 19 2HZ LYS 19 17.035 1.169 3.046 146 3HZ LYS 19 1HZ LYS 19 18.438 1.334 3.991 147 H LEU 20 H LEU 20 13.802 -0.675 2.516 148 HA LEU 20 HA LEU 20 12.367 -2.498 4.362 149 1HB LEU 20 2HB LEU 20 12.850 -3.450 2.198 150 2HB LEU 20 1HB LEU 20 14.539 -2.954 2.295 151 HG LEU 20 HG LEU 20 14.734 -4.426 4.361 152 1HD1 LEU 20 2HD1 LEU 20 12.086 -4.453 4.439 153 2HD1 LEU 20 1HD1 LEU 20 12.291 -5.845 3.374 154 3HD1 LEU 20 3HD1 LEU 20 13.014 -5.850 4.984 155 1HD2 LEU 20 1HD2 LEU 20 14.058 -5.605 1.659 156 2HD2 LEU 20 3HD2 LEU 20 15.658 -5.257 2.314 157 3HD2 LEU 20 2HD2 LEU 20 14.695 -6.573 2.988 158 H PHE 21 H PHE 21 13.104 -2.688 6.419 159 HA PHE 21 HA PHE 21 15.811 -1.723 7.081 160 1HB PHE 21 2HB PHE 21 13.458 -2.662 8.727 161 2HB PHE 21 1HB PHE 21 15.039 -2.363 9.450 162 HD1 PHE 21 HD1 PHE 21 12.920 -0.654 6.859 163 HD2 PHE 21 HD2 PHE 21 15.184 -0.288 10.490 164 HE1 PHE 21 HE1 PHE 21 12.431 1.776 6.918 165 HE2 PHE 21 HE2 PHE 21 14.696 2.143 10.550 166 HZ PHE 21 HZ PHE 21 13.319 3.175 8.763 167 H CYS 22 H CYS 22 17.491 -3.115 6.968 168 HA CYS 22 HA CYS 22 16.940 -6.032 7.231 169 1HB CYS 22 2HB CYS 22 18.395 -4.628 5.339 170 2HB CYS 22 1HB CYS 22 19.645 -5.244 6.420 171 HA PRO 23 HA PRO 23 19.058 -4.773 11.231 172 1HB PRO 23 2HB PRO 23 17.409 -6.179 12.844 173 2HB PRO 23 1HB PRO 23 17.065 -4.525 12.330 174 1HG PRO 23 2HG PRO 23 16.000 -7.107 11.249 175 2HG PRO 23 1HG PRO 23 15.137 -5.603 11.584 176 1HD PRO 23 1HD PRO 23 15.899 -6.298 9.084 177 2HD PRO 23 2HD PRO 23 15.829 -4.617 9.611 178 H GLN 24 H GLN 24 20.166 -6.245 12.748 179 HA GLN 24 HA GLN 24 21.120 -8.646 11.414 180 1HB GLN 24 2HB GLN 24 22.511 -7.163 12.925 181 2HB GLN 24 1HB GLN 24 21.601 -7.816 14.287 182 1HG GLN 24 2HG GLN 24 22.338 -10.080 13.740 183 2HG GLN 24 1HG GLN 24 23.163 -9.491 12.297 184 1HE2 GLN 24 1HE2 GLN 24 24.783 -10.812 14.079 185 2HE2 GLN 24 2HE2 GLN 24 25.754 -9.723 14.946 186 H ASP 25 H ASP 25 20.101 -10.585 11.493 187 HA ASP 25 HA ASP 25 18.033 -11.035 13.564 188 1HB ASP 25 2HB ASP 25 17.494 -11.548 11.204 189 2HB ASP 25 1HB ASP 25 18.817 -12.713 11.160 190 H LYS 26 H LYS 26 18.539 -12.151 15.382 191 HA LYS 26 HA LYS 26 21.077 -13.203 15.982 192 1HB LYS 26 2HB LYS 26 19.224 -12.746 17.631 193 2HB LYS 26 1HB LYS 26 18.456 -14.241 17.095 194 1HG LYS 26 2HG LYS 26 20.465 -15.514 17.742 195 2HG LYS 26 1HG LYS 26 21.249 -14.022 18.261 196 1HD LYS 26 2HD LYS 26 19.388 -13.667 19.895 197 2HD LYS 26 1HD LYS 26 18.724 -15.233 19.429 198 1HE LYS 26 2HE LYS 26 20.070 -16.166 20.980 199 2HE LYS 26 1HE LYS 26 21.439 -15.723 19.960 200 1HZ LYS 26 3HZ LYS 26 21.059 -13.415 21.118 201 2HZ LYS 26 2HZ LYS 26 20.374 -14.385 22.334 202 3HZ LYS 26 1HZ LYS 26 21.987 -14.627 21.858 203 H LYS 27 H LYS 27 18.299 -14.766 14.460 204 HA LYS 27 HA LYS 27 19.906 -17.265 14.190 205 1HB LYS 27 2HB LYS 27 16.964 -16.657 14.129 206 2HB LYS 27 1HB LYS 27 17.571 -18.094 13.306 207 1HG LYS 27 2HG LYS 27 18.476 -18.988 15.328 208 2HG LYS 27 1HG LYS 27 18.278 -17.455 16.177 209 1HD LYS 27 2HD LYS 27 15.963 -17.714 16.375 210 2HD LYS 27 1HD LYS 27 15.871 -18.826 15.009 211 1HE LYS 27 2HE LYS 27 16.618 -20.642 16.267 212 2HE LYS 27 1HE LYS 27 17.439 -19.618 17.445 213 1HZ LYS 27 3HZ LYS 27 14.496 -19.623 17.133 214 2HZ LYS 27 2HZ LYS 27 15.296 -20.691 18.184 215 3HZ LYS 27 1HZ LYS 27 15.412 -19.012 18.423 216 HA PRO 28 HA PRO 28 20.510 -15.559 10.003 217 1HB PRO 28 2HB PRO 28 22.561 -17.207 9.389 218 2HB PRO 28 1HB PRO 28 22.764 -15.737 10.345 219 1HG PRO 28 2HG PRO 28 22.542 -18.580 11.258 220 2HG PRO 28 1HG PRO 28 23.634 -17.313 11.824 221 1HD PRO 28 1HD PRO 28 21.398 -18.008 13.183 222 2HD PRO 28 2HD PRO 28 22.033 -16.363 13.189 223 H ILE 29 H ILE 29 19.695 -16.312 8.064 224 HA ILE 29 HA ILE 29 18.823 -19.172 8.016 225 HB ILE 29 HB ILE 29 17.052 -17.328 7.923 226 1HG1 ILE 29 2HG1 ILE 29 17.374 -19.448 5.799 227 2HG1 ILE 29 1HG1 ILE 29 16.371 -19.494 7.246 228 1HG2 ILE 29 1HG2 ILE 29 18.318 -15.796 6.452 229 2HG2 ILE 29 3HG2 ILE 29 18.250 -16.988 5.153 230 3HG2 ILE 29 2HG2 ILE 29 16.768 -16.226 5.729 231 1HD1 ILE 29 3HD1 ILE 29 15.492 -17.240 5.829 232 2HD1 ILE 29 2HD1 ILE 29 15.739 -18.481 4.600 233 3HD1 ILE 29 1HD1 ILE 29 14.660 -18.789 5.960 234 H GLN 30 H GLN 30 18.996 -20.275 5.933 235 HA GLN 30 HA GLN 30 21.336 -19.298 4.381 236 1HB GLN 30 2HB GLN 30 19.963 -21.997 4.520 237 2HB GLN 30 1HB GLN 30 21.282 -21.630 3.409 238 1HG GLN 30 2HG GLN 30 22.696 -20.991 5.370 239 2HG GLN 30 1HG GLN 30 21.388 -21.497 6.438 240 1HE2 GLN 30 1HE2 GLN 30 23.935 -22.798 6.525 241 2HE2 GLN 30 2HE2 GLN 30 23.750 -24.385 5.951 242 H SER 31 H SER 31 20.772 -18.060 2.659 243 HA SER 31 HA SER 31 18.142 -18.305 1.410 244 1HB SER 31 2HB SER 31 18.713 -16.376 0.200 245 2HB SER 31 1HB SER 31 19.600 -16.166 1.712 246 HG SER 31 HG SER 31 21.229 -15.962 0.399 247 H LEU 32 H LEU 32 18.164 -18.353 -1.125 248 HA LEU 32 HA LEU 32 19.877 -20.664 -1.934 249 1HB LEU 32 2HB LEU 32 18.062 -20.917 -3.742 250 2HB LEU 32 1HB LEU 32 17.597 -21.317 -2.088 251 HG LEU 32 HG LEU 32 17.244 -18.476 -2.843 252 1HD1 LEU 32 3HD1 LEU 32 16.288 -20.548 -4.582 253 2HD1 LEU 32 2HD1 LEU 32 14.908 -19.822 -3.759 254 3HD1 LEU 32 1HD1 LEU 32 16.009 -18.810 -4.694 255 1HD2 LEU 32 1HD2 LEU 32 16.542 -19.753 -0.692 256 2HD2 LEU 32 3HD2 LEU 32 15.373 -18.647 -1.415 257 3HD2 LEU 32 2HD2 LEU 32 15.222 -20.385 -1.676 258 H ASP 33 H ASP 33 19.540 -17.357 -2.341 259 HA ASP 33 HA ASP 33 20.218 -17.244 -5.188 260 1HB ASP 33 2HB ASP 33 20.101 -15.161 -2.995 261 2HB ASP 33 1HB ASP 33 20.590 -14.785 -4.647 262 H GLY 34 H GLY 34 21.954 -18.317 -2.672 263 1HA GLY 34 1HA GLY 34 24.505 -17.513 -3.944 264 2HA GLY 34 2HA GLY 34 24.303 -18.822 -2.779 265 H ILE 35 H ILE 35 22.550 -16.450 -1.438 266 HA ILE 35 HA ILE 35 24.901 -15.179 -0.094 267 HB ILE 35 HB ILE 35 22.040 -14.179 -0.206 268 1HG1 ILE 35 2HG1 ILE 35 24.399 -13.050 -1.715 269 2HG1 ILE 35 1HG1 ILE 35 23.350 -14.278 -2.424 270 1HG2 ILE 35 2HG2 ILE 35 24.638 -13.100 0.878 271 2HG2 ILE 35 1HG2 ILE 35 23.328 -12.013 0.417 272 3HG2 ILE 35 3HG2 ILE 35 23.072 -13.215 1.682 273 1HD1 ILE 35 2HD1 ILE 35 22.202 -11.773 -1.193 274 2HD1 ILE 35 1HD1 ILE 35 22.764 -11.789 -2.865 275 3HD1 ILE 35 3HD1 ILE 35 21.458 -12.863 -2.364 276 H MET 36 H MET 36 24.350 -14.578 2.280 277 HA MET 36 HA MET 36 22.916 -16.898 3.506 278 1HB MET 36 2HB MET 36 25.246 -15.235 4.495 279 2HB MET 36 1HB MET 36 24.365 -16.366 5.523 280 1HG MET 36 2HG MET 36 24.866 -18.177 3.864 281 2HG MET 36 1HG MET 36 25.861 -17.028 2.969 282 1HE MET 36 2HE MET 36 24.910 -18.584 6.045 283 2HE MET 36 1HE MET 36 26.373 -19.379 6.621 284 3HE MET 36 3HE MET 36 25.922 -17.787 7.247 285 H PHE 37 H PHE 37 20.885 -16.143 3.971 286 HA PHE 37 HA PHE 37 19.228 -14.912 5.075 287 1HB PHE 37 2HB PHE 37 20.659 -15.068 7.051 288 2HB PHE 37 1HB PHE 37 21.611 -13.694 6.494 289 HD1 PHE 37 HD1 PHE 37 20.641 -11.422 6.436 290 HD2 PHE 37 HD2 PHE 37 18.454 -14.767 8.009 291 HE1 PHE 37 HE1 PHE 37 19.037 -9.866 7.511 292 HE2 PHE 37 HE2 PHE 37 16.849 -13.211 9.084 293 HZ PHE 37 HZ PHE 37 17.140 -10.761 8.835 294 H ILE 38 H ILE 38 21.980 -12.698 4.523 295 HA ILE 38 HA ILE 38 20.673 -10.320 4.080 296 HB ILE 38 HB ILE 38 22.898 -11.443 2.351 297 1HG1 ILE 38 2HG1 ILE 38 22.990 -9.702 4.834 298 2HG1 ILE 38 1HG1 ILE 38 23.381 -11.421 4.792 299 1HG2 ILE 38 3HG2 ILE 38 21.405 -8.986 2.222 300 2HG2 ILE 38 2HG2 ILE 38 23.068 -8.630 2.692 301 3HG2 ILE 38 1HG2 ILE 38 22.742 -9.514 1.201 302 1HD1 ILE 38 1HD1 ILE 38 25.110 -10.856 3.007 303 2HD1 ILE 38 3HD1 ILE 38 24.832 -9.158 3.397 304 3HD1 ILE 38 2HD1 ILE 38 25.469 -10.253 4.625 305 H ASN 39 H ASN 39 20.556 -13.155 2.029 306 HA ASN 39 HA ASN 39 19.614 -11.996 -0.374 307 1HB ASN 39 2HB ASN 39 20.213 -14.440 0.057 308 2HB ASN 39 1HB ASN 39 18.603 -14.610 0.755 309 1HD2 ASN 39 1HD2 ASN 39 17.336 -15.626 -0.820 310 2HD2 ASN 39 2HD2 ASN 39 17.278 -15.174 -2.455 311 H LYS 40 H LYS 40 17.785 -13.024 2.523 312 HA LYS 40 HA LYS 40 15.178 -12.676 1.676 313 1HB LYS 40 2HB LYS 40 16.364 -11.683 4.285 314 2HB LYS 40 1HB LYS 40 14.642 -11.908 3.979 315 1HG LYS 40 2HG LYS 40 15.117 -14.318 3.451 316 2HG LYS 40 1HG LYS 40 16.785 -14.052 3.958 317 1HD LYS 40 2HD LYS 40 15.353 -14.995 5.781 318 2HD LYS 40 1HD LYS 40 16.050 -13.429 6.197 319 1HE LYS 40 2HE LYS 40 13.467 -13.223 4.813 320 2HE LYS 40 1HE LYS 40 13.366 -14.067 6.358 321 1HZ LYS 40 3HZ LYS 40 15.020 -11.718 6.438 322 2HZ LYS 40 2HZ LYS 40 13.402 -11.382 6.041 323 3HZ LYS 40 1HZ LYS 40 13.774 -12.202 7.482 324 H CYS 41 H CYS 41 17.478 -10.130 2.549 325 HA CYS 41 HA CYS 41 15.585 -7.975 2.046 326 1HB CYS 41 2HB CYS 41 18.459 -8.224 2.749 327 2HB CYS 41 1HB CYS 41 18.015 -6.788 1.833 328 H ALA 42 H ALA 42 18.290 -9.459 0.273 329 HA ALA 42 HA ALA 42 18.080 -7.766 -2.040 330 1HB ALA 42 1HB ALA 42 19.772 -9.829 -1.173 331 2HB ALA 42 3HB ALA 42 19.033 -10.440 -2.653 332 3HB ALA 42 2HB ALA 42 19.915 -8.913 -2.673 333 H THR 43 H THR 43 16.272 -10.523 -0.940 334 HA THR 43 HA THR 43 15.038 -10.842 -3.633 335 HB THR 43 HB THR 43 13.876 -12.804 -2.335 336 HG1 THR 43 HG1 THR 43 14.501 -12.351 -0.287 337 1HG2 THR 43 3HG2 THR 43 15.925 -12.720 -4.045 338 2HG2 THR 43 2HG2 THR 43 16.814 -13.253 -2.618 339 3HG2 THR 43 1HG2 THR 43 15.467 -14.215 -3.229 340 H CYS 44 H CYS 44 14.324 -9.968 -0.291 341 HA CYS 44 HA CYS 44 11.459 -9.739 -0.731 342 1HB CYS 44 2HB CYS 44 12.435 -10.151 1.517 343 2HB CYS 44 1HB CYS 44 13.179 -8.555 1.467 344 H LYS 45 H LYS 45 14.220 -7.533 -0.848 345 HA LYS 45 HA LYS 45 12.730 -5.097 -0.949 346 1HB LYS 45 2HB LYS 45 15.448 -5.908 -1.974 347 2HB LYS 45 1HB LYS 45 14.813 -4.288 -2.253 348 1HG LYS 45 2HG LYS 45 14.360 -4.245 0.294 349 2HG LYS 45 1HG LYS 45 15.451 -5.629 0.369 350 1HD LYS 45 2HD LYS 45 17.099 -4.183 -0.981 351 2HD LYS 45 1HD LYS 45 16.058 -2.822 -0.562 352 1HE LYS 45 2HE LYS 45 16.335 -3.354 1.836 353 2HE LYS 45 1HE LYS 45 17.383 -4.708 1.412 354 1HZ LYS 45 3HZ LYS 45 17.957 -1.950 0.514 355 2HZ LYS 45 2HZ LYS 45 18.497 -2.531 2.016 356 3HZ LYS 45 1HZ LYS 45 19.010 -3.278 0.579 357 H MET 46 H MET 46 13.760 -7.346 -3.501 358 HA MET 46 HA MET 46 12.562 -5.690 -5.601 359 1HB MET 46 2HB MET 46 13.711 -8.497 -5.622 360 2HB MET 46 1HB MET 46 13.124 -7.659 -7.059 361 1HG MET 46 2HG MET 46 15.361 -6.721 -5.235 362 2HG MET 46 1HG MET 46 15.555 -7.380 -6.860 363 1HE MET 46 3HE MET 46 14.495 -6.566 -8.847 364 2HE MET 46 2HE MET 46 12.914 -5.951 -8.371 365 3HE MET 46 1HE MET 46 14.044 -4.895 -9.214 366 H ILE 47 H ILE 47 11.613 -8.360 -3.562 367 HA ILE 47 HA ILE 47 9.195 -8.877 -5.190 368 HB ILE 47 HB ILE 47 10.203 -10.147 -2.626 369 1HG1 ILE 47 1HG1 ILE 47 10.100 -11.243 -5.451 370 2HG1 ILE 47 2HG1 ILE 47 11.547 -10.552 -4.716 371 1HG2 ILE 47 3HG2 ILE 47 7.615 -10.184 -3.876 372 2HG2 ILE 47 2HG2 ILE 47 8.342 -11.785 -4.016 373 3HG2 ILE 47 1HG2 ILE 47 8.147 -11.041 -2.429 374 1HD1 ILE 47 3HD1 ILE 47 10.715 -12.325 -2.783 375 2HD1 ILE 47 2HD1 ILE 47 10.282 -13.173 -4.268 376 3HD1 ILE 47 1HD1 ILE 47 11.950 -12.668 -3.995 377 H LEU 48 H LEU 48 10.187 -6.936 -2.564 378 HA LEU 48 HA LEU 48 7.525 -6.793 -1.318 379 1HB LEU 48 2HB LEU 48 9.623 -6.564 0.024 380 2HB LEU 48 1HB LEU 48 9.982 -5.075 -0.847 381 HG LEU 48 HG LEU 48 8.113 -3.950 0.087 382 1HD1 LEU 48 3HD1 LEU 48 7.163 -6.700 0.943 383 2HD1 LEU 48 2HD1 LEU 48 6.408 -5.194 1.465 384 3HD1 LEU 48 1HD1 LEU 48 6.404 -5.636 -0.242 385 1HD2 LEU 48 1HD2 LEU 48 9.977 -4.350 1.692 386 2HD2 LEU 48 3HD2 LEU 48 8.416 -4.215 2.503 387 3HD2 LEU 48 2HD2 LEU 48 9.148 -5.802 2.258 388 H GLU 49 H GLU 49 9.235 -5.279 -3.879 389 HA GLU 49 HA GLU 49 7.840 -2.731 -3.802 390 1HB GLU 49 2HB GLU 49 9.440 -4.167 -5.933 391 2HB GLU 49 1HB GLU 49 8.687 -2.597 -6.213 392 1HG GLU 49 2HG GLU 49 9.922 -1.685 -4.255 393 2HG GLU 49 1HG GLU 49 10.717 -3.247 -4.053 394 H LYS 50 H LYS 50 7.246 -5.895 -5.189 395 HA LYS 50 HA LYS 50 5.246 -5.196 -7.089 396 1HB LYS 50 2HB LYS 50 6.272 -7.458 -6.895 397 2HB LYS 50 1HB LYS 50 5.397 -7.701 -5.383 398 1HG LYS 50 2HG LYS 50 3.254 -7.343 -6.610 399 2HG LYS 50 1HG LYS 50 4.168 -7.219 -8.114 400 1HD LYS 50 2HD LYS 50 5.099 -9.507 -7.663 401 2HD LYS 50 1HD LYS 50 4.022 -9.624 -6.272 402 1HE LYS 50 2HE LYS 50 2.988 -10.706 -8.212 403 2HE LYS 50 1HE LYS 50 2.078 -9.258 -7.782 404 1HZ LYS 50 1HZ LYS 50 4.123 -8.531 -9.550 405 2HZ LYS 50 3HZ LYS 50 3.314 -9.864 -10.216 406 3HZ LYS 50 2HZ LYS 50 2.444 -8.466 -9.799 407 H GLU 51 H GLU 51 5.076 -5.743 -3.594 408 HA GLU 51 HA GLU 51 2.234 -5.742 -3.348 409 1HB GLU 51 2HB GLU 51 4.370 -4.801 -1.409 410 2HB GLU 51 1HB GLU 51 2.673 -5.034 -0.987 411 1HG GLU 51 2HG GLU 51 4.520 -7.180 -2.080 412 2HG GLU 51 1HG GLU 51 4.029 -7.019 -0.394 413 H ALA 52 H ALA 52 4.588 -3.117 -3.571 414 HA ALA 52 HA ALA 52 2.816 -0.985 -2.854 415 1HB ALA 52 2HB ALA 52 5.498 -1.258 -3.824 416 2HB ALA 52 3HB ALA 52 4.747 0.148 -3.070 417 3HB ALA 52 1HB ALA 52 4.665 -0.064 -4.819 418 H LYS 53 H LYS 53 3.254 -2.819 -5.801 419 HA LYS 53 HA LYS 53 2.040 -1.011 -7.642 420 1HB LYS 53 2HB LYS 53 2.024 -4.045 -7.603 421 2HB LYS 53 1HB LYS 53 1.548 -3.056 -8.983 422 1HG LYS 53 2HG LYS 53 3.813 -2.017 -8.978 423 2HG LYS 53 1HG LYS 53 4.278 -3.093 -7.661 424 1HD LYS 53 2HD LYS 53 3.733 -5.047 -9.119 425 2HD LYS 53 1HD LYS 53 3.396 -3.929 -10.440 426 1HE LYS 53 2HE LYS 53 5.837 -3.031 -9.726 427 2HE LYS 53 1HE LYS 53 6.002 -4.719 -9.241 428 1HZ LYS 53 1HZ LYS 53 4.831 -4.946 -11.641 429 2HZ LYS 53 3HZ LYS 53 5.793 -3.570 -11.883 430 3HZ LYS 53 2HZ LYS 53 6.508 -5.028 -11.383 431 H SER 54 H SER 54 0.675 -3.210 -5.260 432 HA SER 54 HA SER 54 -2.005 -3.285 -6.199 433 1HB SER 54 2HB SER 54 -1.093 -3.229 -3.307 434 2HB SER 54 1HB SER 54 -2.615 -3.878 -3.918 435 HG SER 54 HG SER 54 -0.035 -4.911 -4.069 436 H GLN 55 H GLN 55 -0.212 -0.789 -4.513 437 HA GLN 55 HA GLN 55 -2.666 0.921 -4.619 438 1HB GLN 55 2HB GLN 55 -0.463 0.911 -2.533 439 2HB GLN 55 1HB GLN 55 -1.751 2.113 -2.621 440 1HG GLN 55 2HG GLN 55 -3.437 0.333 -2.354 441 2HG GLN 55 1HG GLN 55 -2.155 -0.876 -2.281 442 1HE2 GLN 55 1HE2 GLN 55 -3.874 -0.648 -0.073 443 2HE2 GLN 55 2HE2 GLN 55 -3.041 0.048 1.232 No H/Q in entry = 443 Start of MODEL 3 1 H1 LYS 1 3H LYS 1 9.311 4.827 1.480 2 H2 LYS 1 2H LYS 1 10.152 4.910 2.955 3 H3 LYS 1 1H LYS 1 9.833 3.403 2.239 4 HA LYS 1 HA LYS 1 7.558 3.508 2.707 5 1HB LYS 1 1HB LYS 1 9.107 4.708 5.024 6 2HB LYS 1 2HB LYS 1 7.517 3.955 5.155 7 1HG LYS 1 2HG LYS 1 8.488 1.850 4.220 8 2HG LYS 1 1HG LYS 1 10.077 2.613 4.235 9 1HD LYS 1 2HD LYS 1 9.819 2.989 6.696 10 2HD LYS 1 1HD LYS 1 8.303 2.091 6.639 11 1HE LYS 1 2HE LYS 1 10.326 0.557 5.302 12 2HE LYS 1 1HE LYS 1 10.941 1.047 6.881 13 1HZ LYS 1 2HZ LYS 1 8.196 0.159 6.891 14 2HZ LYS 1 1HZ LYS 1 9.312 -1.047 6.456 15 3HZ LYS 1 3HZ LYS 1 9.472 -0.240 7.939 16 H ASN 2 H ASN 2 9.154 6.640 3.076 17 HA ASN 2 HA ASN 2 6.926 8.216 3.807 18 1HB ASN 2 2HB ASN 2 9.237 8.925 1.973 19 2HB ASN 2 1HB ASN 2 8.129 10.092 2.697 20 1HD2 ASN 2 1HD2 ASN 2 10.955 10.118 3.267 21 2HD2 ASN 2 2HD2 ASN 2 11.165 9.713 4.902 22 H GLU 3 H GLU 3 7.829 6.847 0.693 23 HA GLU 3 HA GLU 3 6.027 8.394 -0.918 24 1HB GLU 3 2HB GLU 3 7.161 5.607 -1.302 25 2HB GLU 3 1HB GLU 3 6.246 6.477 -2.534 26 1HG GLU 3 2HG GLU 3 7.917 8.339 -2.383 27 2HG GLU 3 1HG GLU 3 8.862 7.350 -1.270 28 H ASP 4 H ASP 4 5.654 5.328 0.847 29 HA ASP 4 HA ASP 4 3.066 4.649 -0.109 30 1HB ASP 4 2HB ASP 4 3.925 4.182 2.745 31 2HB ASP 4 1HB ASP 4 2.938 3.148 1.712 32 H GLN 5 H GLN 5 4.116 7.006 2.267 33 HA GLN 5 HA GLN 5 1.632 7.456 3.583 34 1HB GLN 5 2HB GLN 5 3.909 9.361 2.963 35 2HB GLN 5 1HB GLN 5 2.562 9.751 4.032 36 1HG GLN 5 2HG GLN 5 3.141 7.825 5.465 37 2HG GLN 5 1HG GLN 5 4.489 7.435 4.396 38 1HE2 GLN 5 1HE2 GLN 5 4.971 8.057 7.133 39 2HE2 GLN 5 2HE2 GLN 5 5.774 9.550 7.222 40 H GLU 6 H GLU 6 2.927 8.693 0.526 41 HA GLU 6 HA GLU 6 0.973 10.682 0.010 42 1HB GLU 6 2HB GLU 6 2.429 8.850 -1.922 43 2HB GLU 6 1HB GLU 6 1.507 10.275 -2.401 44 1HG GLU 6 2HG GLU 6 2.972 11.666 -0.932 45 2HG GLU 6 1HG GLU 6 3.931 10.229 -0.577 46 H MET 7 H MET 7 0.927 7.183 -0.654 47 HA MET 7 HA MET 7 -1.578 7.140 -2.027 48 1HB MET 7 2HB MET 7 -0.178 5.041 -0.349 49 2HB MET 7 1HB MET 7 -1.642 4.724 -1.280 50 1HG MET 7 2HG MET 7 -0.476 5.438 -3.343 51 2HG MET 7 1HG MET 7 0.990 5.728 -2.407 52 1HE MET 7 1HE MET 7 2.238 4.535 -3.874 53 2HE MET 7 3HE MET 7 2.476 2.782 -3.911 54 3HE MET 7 2HE MET 7 1.241 3.528 -4.922 55 H CYS 8 H CYS 8 -0.748 7.256 1.380 56 HA CYS 8 HA CYS 8 -3.309 6.505 2.425 57 1HB CYS 8 2HB CYS 8 -1.268 6.615 3.819 58 2HB CYS 8 1HB CYS 8 -1.225 8.366 3.610 59 H HIS 9 H HIS 9 -1.999 9.549 1.232 60 HA HIS 9 HA HIS 9 -3.846 11.397 2.216 61 1HB HIS 9 2HB HIS 9 -2.078 12.234 0.864 62 2HB HIS 9 1HB HIS 9 -2.498 11.174 -0.481 63 HD1 HIS 9 HD1 HIS 9 -5.032 11.670 -1.488 64 HD2 HIS 9 HD2 HIS 9 -3.176 14.759 0.608 65 HE1 HIS 9 HE1 HIS 9 -6.242 13.798 -2.130 66 H GLU 10 H GLU 10 -4.205 9.427 -0.755 67 HA GLU 10 HA GLU 10 -6.809 10.284 -1.437 68 1HB GLU 10 2HB GLU 10 -5.504 7.575 -1.822 69 2HB GLU 10 1HB GLU 10 -7.007 8.072 -2.599 70 1HG GLU 10 2HG GLU 10 -5.789 10.023 -3.589 71 2HG GLU 10 1HG GLU 10 -4.292 9.387 -2.908 72 H PHE 11 H PHE 11 -5.776 7.738 0.825 73 HA PHE 11 HA PHE 11 -8.495 6.873 1.362 74 1HB PHE 11 2HB PHE 11 -5.832 6.064 2.124 75 2HB PHE 11 1HB PHE 11 -6.847 6.192 3.560 76 HD1 PHE 11 HD1 PHE 11 -9.517 5.582 2.234 77 HD2 PHE 11 HD2 PHE 11 -5.679 3.673 1.946 78 HE1 PHE 11 HE1 PHE 11 -10.624 3.445 1.644 79 HE2 PHE 11 HE2 PHE 11 -6.788 1.537 1.356 80 HZ PHE 11 HZ PHE 11 -9.260 1.422 1.205 81 H GLN 12 H GLN 12 -6.867 9.674 2.158 82 HA GLN 12 HA GLN 12 -7.822 10.001 4.886 83 1HB GLN 12 2HB GLN 12 -6.774 11.970 2.834 84 2HB GLN 12 1HB GLN 12 -7.222 12.427 4.477 85 1HG GLN 12 2HG GLN 12 -5.588 10.816 5.378 86 2HG GLN 12 1HG GLN 12 -5.147 10.340 3.738 87 1HE2 GLN 12 1HE2 GLN 12 -3.022 11.277 5.111 88 2HE2 GLN 12 2HE2 GLN 12 -2.644 12.879 4.695 89 H ALA 13 H ALA 13 -9.056 10.727 1.671 90 HA ALA 13 HA ALA 13 -11.239 12.400 2.615 91 1HB ALA 13 2HB ALA 13 -12.047 12.306 0.343 92 2HB ALA 13 3HB ALA 13 -11.068 10.881 -0.002 93 3HB ALA 13 1HB ALA 13 -10.291 12.441 0.270 94 H PHE 14 H PHE 14 -10.711 8.974 2.200 95 HA PHE 14 HA PHE 14 -13.571 8.322 2.391 96 1HB PHE 14 2HB PHE 14 -11.080 6.592 2.452 97 2HB PHE 14 1HB PHE 14 -12.727 5.962 2.494 98 HD1 PHE 14 HD1 PHE 14 -14.294 6.477 0.568 99 HD2 PHE 14 HD2 PHE 14 -10.076 7.278 0.408 100 HE1 PHE 14 HE1 PHE 14 -14.416 6.629 -1.905 101 HE2 PHE 14 HE2 PHE 14 -10.199 7.431 -2.064 102 HZ PHE 14 HZ PHE 14 -12.369 7.106 -3.220 103 H MET 15 H MET 15 -11.305 9.366 4.577 104 HA MET 15 HA MET 15 -11.970 7.566 6.782 105 1HB MET 15 2HB MET 15 -9.815 9.052 6.391 106 2HB MET 15 1HB MET 15 -10.777 10.284 7.209 107 1HG MET 15 2HG MET 15 -10.444 7.502 8.343 108 2HG MET 15 1HG MET 15 -9.300 8.796 8.700 109 1HE MET 15 1HE MET 15 -10.043 11.053 9.040 110 2HE MET 15 3HE MET 15 -11.758 11.446 8.855 111 3HE MET 15 2HE MET 15 -11.018 11.448 10.454 112 H LYS 16 H LYS 16 -13.650 7.817 8.194 113 HA LYS 16 HA LYS 16 -14.980 10.473 8.371 114 1HB LYS 16 2HB LYS 16 -16.432 7.860 7.854 115 2HB LYS 16 1HB LYS 16 -17.201 9.419 8.150 116 1HG LYS 16 2HG LYS 16 -15.967 10.322 6.147 117 2HG LYS 16 1HG LYS 16 -15.419 8.679 5.812 118 1HD LYS 16 2HD LYS 16 -17.787 7.936 5.692 119 2HD LYS 16 1HD LYS 16 -18.307 9.599 5.963 120 1HE LYS 16 2HE LYS 16 -16.552 9.930 3.892 121 2HE LYS 16 1HE LYS 16 -17.217 8.338 3.522 122 1HZ LYS 16 3HZ LYS 16 -19.323 9.979 4.328 123 2HZ LYS 16 2HZ LYS 16 -18.417 10.851 3.185 124 3HZ LYS 16 1HZ LYS 16 -19.042 9.321 2.790 125 H ASN 17 H ASN 17 -16.076 10.800 10.372 126 HA ASN 17 HA ASN 17 -16.194 10.585 12.714 127 1HB ASN 17 2HB ASN 17 -16.758 7.716 11.901 128 2HB ASN 17 1HB ASN 17 -17.154 8.440 13.459 129 1HD2 ASN 17 1HD2 ASN 17 -18.803 7.446 10.935 130 2HD2 ASN 17 2HD2 ASN 17 -19.932 8.697 10.726 131 H GLY 18 H GLY 18 -13.537 10.131 11.433 132 1HA GLY 18 1HA GLY 18 -12.177 9.092 13.782 133 2HA GLY 18 2HA GLY 18 -11.399 9.620 12.289 134 H LYS 19 H LYS 19 -13.283 7.788 10.768 135 HA LYS 19 HA LYS 19 -11.822 5.242 11.347 136 1HB LYS 19 2HB LYS 19 -14.326 5.274 11.914 137 2HB LYS 19 1HB LYS 19 -14.604 5.393 10.176 138 1HG LYS 19 2HG LYS 19 -12.750 3.338 10.382 139 2HG LYS 19 1HG LYS 19 -13.793 3.078 11.780 140 1HD LYS 19 2HD LYS 19 -15.720 3.519 10.017 141 2HD LYS 19 1HD LYS 19 -14.481 3.027 8.862 142 1HE LYS 19 2HE LYS 19 -15.572 1.005 9.444 143 2HE LYS 19 1HE LYS 19 -14.102 1.001 10.418 144 1HZ LYS 19 2HZ LYS 19 -15.479 2.064 12.209 145 2HZ LYS 19 1HZ LYS 19 -16.851 1.693 11.277 146 3HZ LYS 19 3HZ LYS 19 -15.861 0.445 11.859 147 H LEU 20 H LEU 20 -11.047 4.137 9.521 148 HA LEU 20 HA LEU 20 -11.085 5.721 7.004 149 1HB LEU 20 2HB LEU 20 -8.865 5.158 7.756 150 2HB LEU 20 1HB LEU 20 -9.311 3.469 7.989 151 HG LEU 20 HG LEU 20 -9.847 3.420 5.482 152 1HD1 LEU 20 2HD1 LEU 20 -9.415 6.162 5.739 153 2HD1 LEU 20 1HD1 LEU 20 -7.951 5.575 4.950 154 3HD1 LEU 20 3HD1 LEU 20 -9.528 5.269 4.223 155 1HD2 LEU 20 1HD2 LEU 20 -7.723 2.568 6.666 156 2HD2 LEU 20 3HD2 LEU 20 -7.604 2.870 4.933 157 3HD2 LEU 20 2HD2 LEU 20 -6.952 4.041 6.079 158 H PHE 21 H PHE 21 -12.829 5.129 5.767 159 HA PHE 21 HA PHE 21 -13.787 2.352 5.760 160 1HB PHE 21 2HB PHE 21 -14.647 4.814 4.213 161 2HB PHE 21 1HB PHE 21 -15.435 3.242 4.082 162 HD1 PHE 21 HD1 PHE 21 -14.404 5.808 6.610 163 HD2 PHE 21 HD2 PHE 21 -17.131 2.650 5.588 164 HE1 PHE 21 HE1 PHE 21 -15.739 6.303 8.640 165 HE2 PHE 21 HE2 PHE 21 -18.466 3.146 7.618 166 HZ PHE 21 HZ PHE 21 -17.770 4.972 9.144 167 H CYS 22 H CYS 22 -12.742 0.868 4.530 168 HA CYS 22 HA CYS 22 -11.498 1.801 1.976 169 1HB CYS 22 2HB CYS 22 -10.801 -0.665 3.597 170 2HB CYS 22 1HB CYS 22 -9.932 -0.044 2.193 171 HA PRO 23 HA PRO 23 -15.009 -0.781 0.532 172 1HB PRO 23 2HB PRO 23 -15.142 0.390 -1.899 173 2HB PRO 23 1HB PRO 23 -15.902 1.077 -0.462 174 1HG PRO 23 2HG PRO 23 -13.302 1.797 -1.761 175 2HG PRO 23 1HG PRO 23 -14.551 2.862 -1.109 176 1HD PRO 23 2HD PRO 23 -12.286 2.289 0.257 177 2HD PRO 23 1HD PRO 23 -13.822 2.596 1.068 178 H GLN 24 H GLN 24 -15.077 -1.529 -2.105 179 HA GLN 24 HA GLN 24 -12.736 -3.308 -2.270 180 1HB GLN 24 2HB GLN 24 -15.064 -4.138 -2.694 181 2HB GLN 24 1HB GLN 24 -15.129 -3.106 -4.123 182 1HG GLN 24 2HG GLN 24 -13.200 -4.285 -5.084 183 2HG GLN 24 1HG GLN 24 -13.076 -5.288 -3.639 184 1HE2 GLN 24 1HE2 GLN 24 -13.440 -6.712 -5.945 185 2HE2 GLN 24 2HE2 GLN 24 -15.037 -7.272 -6.081 186 H ASP 25 H ASP 25 -10.943 -2.587 -3.305 187 HA ASP 25 HA ASP 25 -11.160 -0.403 -5.275 188 1HB ASP 25 2HB ASP 25 -9.340 -0.443 -3.556 189 2HB ASP 25 1HB ASP 25 -8.700 -1.898 -4.320 190 H LYS 26 H LYS 26 -11.459 -0.863 -7.397 191 HA LYS 26 HA LYS 26 -11.419 -3.498 -8.477 192 1HB LYS 26 2HB LYS 26 -11.162 -0.822 -9.880 193 2HB LYS 26 1HB LYS 26 -11.477 -2.354 -10.694 194 1HG LYS 26 2HG LYS 26 -13.529 -2.624 -9.289 195 2HG LYS 26 1HG LYS 26 -13.233 -1.025 -8.607 196 1HD LYS 26 2HD LYS 26 -13.304 -0.082 -10.928 197 2HD LYS 26 1HD LYS 26 -13.748 -1.681 -11.523 198 1HE LYS 26 2HE LYS 26 -15.802 -1.667 -10.283 199 2HE LYS 26 1HE LYS 26 -15.316 -0.235 -9.375 200 1HZ LYS 26 1HZ LYS 26 -15.690 -0.278 -12.317 201 2HZ LYS 26 3HZ LYS 26 -16.888 0.213 -11.222 202 3HZ LYS 26 2HZ LYS 26 -15.434 1.083 -11.334 203 H LYS 27 H LYS 27 -8.929 -1.020 -8.244 204 HA LYS 27 HA LYS 27 -7.057 -2.466 -9.959 205 1HB LYS 27 2HB LYS 27 -6.533 -0.207 -8.002 206 2HB LYS 27 1HB LYS 27 -5.448 -0.752 -9.281 207 1HG LYS 27 2HG LYS 27 -6.951 -0.020 -10.994 208 2HG LYS 27 1HG LYS 27 -8.259 0.222 -9.836 209 1HD LYS 27 2HD LYS 27 -6.263 1.808 -8.792 210 2HD LYS 27 1HD LYS 27 -6.014 1.996 -10.528 211 1HE LYS 27 2HE LYS 27 -8.750 2.246 -9.267 212 2HE LYS 27 1HE LYS 27 -7.664 3.626 -9.420 213 1HZ LYS 27 2HZ LYS 27 -7.611 2.449 -11.879 214 2HZ LYS 27 1HZ LYS 27 -9.242 2.331 -11.418 215 3HZ LYS 27 3HZ LYS 27 -8.481 3.846 -11.459 216 HA PRO 28 HA PRO 28 -5.581 -5.281 -6.844 217 1HB PRO 28 2HB PRO 28 -3.214 -5.923 -7.977 218 2HB PRO 28 1HB PRO 28 -4.759 -6.538 -8.570 219 1HG PRO 28 2HG PRO 28 -3.094 -4.274 -9.604 220 2HG PRO 28 1HG PRO 28 -3.943 -5.532 -10.507 221 1HD PRO 28 2HD PRO 28 -4.943 -3.033 -10.228 222 2HD PRO 28 1HD PRO 28 -5.981 -4.455 -10.341 223 H ILE 29 H ILE 29 -4.524 -4.915 -4.940 224 HA ILE 29 HA ILE 29 -2.378 -2.830 -4.942 225 HB ILE 29 HB ILE 29 -3.135 -2.924 -2.340 226 1HG1 ILE 29 2HG1 ILE 29 -5.664 -2.936 -2.370 227 2HG1 ILE 29 1HG1 ILE 29 -5.576 -3.612 -3.997 228 1HG2 ILE 29 1HG2 ILE 29 -3.304 -1.132 -4.469 229 2HG2 ILE 29 3HG2 ILE 29 -4.952 -1.208 -3.843 230 3HG2 ILE 29 2HG2 ILE 29 -3.621 -0.765 -2.773 231 1HD1 ILE 29 1HD1 ILE 29 -3.801 -5.113 -2.347 232 2HD1 ILE 29 3HD1 ILE 29 -5.338 -4.982 -1.491 233 3HD1 ILE 29 2HD1 ILE 29 -5.289 -5.663 -3.117 234 H GLN 30 H GLN 30 -0.804 -3.149 -3.086 235 HA GLN 30 HA GLN 30 -0.452 -5.955 -2.222 236 1HB GLN 30 2HB GLN 30 1.550 -4.440 -3.925 237 2HB GLN 30 1HB GLN 30 1.956 -5.889 -3.005 238 1HG GLN 30 2HG GLN 30 0.128 -7.102 -4.221 239 2HG GLN 30 1HG GLN 30 -0.109 -5.665 -5.215 240 1HE2 GLN 30 1HE2 GLN 30 0.644 -7.979 -6.554 241 2HE2 GLN 30 2HE2 GLN 30 2.264 -7.874 -7.051 242 H SER 31 H SER 31 0.141 -5.866 -0.092 243 HA SER 31 HA SER 31 0.851 -3.290 1.078 244 1HB SER 31 2HB SER 31 -0.365 -5.596 2.018 245 2HB SER 31 1HB SER 31 1.216 -5.627 2.797 246 HG SER 31 HG SER 31 0.720 -3.909 3.913 247 H LEU 32 H LEU 32 2.822 -2.664 1.881 248 HA LEU 32 HA LEU 32 5.166 -4.164 0.893 249 1HB LEU 32 2HB LEU 32 4.978 -1.483 2.305 250 2HB LEU 32 1HB LEU 32 6.430 -2.154 1.565 251 HG LEU 32 HG LEU 32 5.123 -2.256 -0.620 252 1HD1 LEU 32 3HD1 LEU 32 3.158 -0.875 1.179 253 2HD1 LEU 32 2HD1 LEU 32 3.233 -0.408 -0.520 254 3HD1 LEU 32 1HD1 LEU 32 2.866 -2.076 -0.080 255 1HD2 LEU 32 2HD2 LEU 32 6.592 -0.229 0.528 256 2HD2 LEU 32 1HD2 LEU 32 6.040 -0.244 -1.147 257 3HD2 LEU 32 3HD2 LEU 32 5.102 0.603 0.083 258 H ASP 33 H ASP 33 3.383 -3.736 3.792 259 HA ASP 33 HA ASP 33 5.565 -4.211 5.648 260 1HB ASP 33 2HB ASP 33 2.563 -4.496 5.971 261 2HB ASP 33 1HB ASP 33 3.729 -4.608 7.291 262 H GLY 34 H GLY 34 4.207 -6.173 3.357 263 1HA GLY 34 1HA GLY 34 5.000 -8.605 4.884 264 2HA GLY 34 2HA GLY 34 4.965 -8.480 3.124 265 H ILE 35 H ILE 35 2.328 -7.052 3.253 266 HA ILE 35 HA ILE 35 0.637 -9.446 3.860 267 HB ILE 35 HB ILE 35 -0.386 -6.610 3.992 268 1HG1 ILE 35 1HG1 ILE 35 0.150 -7.853 6.578 269 2HG1 ILE 35 2HG1 ILE 35 1.630 -7.582 5.660 270 1HG2 ILE 35 1HG2 ILE 35 -1.685 -8.995 4.019 271 2HG2 ILE 35 3HG2 ILE 35 -1.377 -8.787 5.743 272 3HG2 ILE 35 2HG2 ILE 35 -2.277 -7.559 4.854 273 1HD1 ILE 35 2HD1 ILE 35 0.976 -5.224 5.305 274 2HD1 ILE 35 1HD1 ILE 35 -0.499 -5.497 6.231 275 3HD1 ILE 35 3HD1 ILE 35 1.072 -5.603 7.025 276 H MET 36 H MET 36 -1.016 -9.897 2.344 277 HA MET 36 HA MET 36 -0.655 -8.555 -0.286 278 1HB MET 36 2HB MET 36 -2.135 -11.100 0.456 279 2HB MET 36 1HB MET 36 -1.927 -10.482 -1.183 280 1HG MET 36 2HG MET 36 0.536 -10.634 -0.906 281 2HG MET 36 1HG MET 36 0.299 -11.307 0.707 282 1HE MET 36 1HE MET 36 -1.334 -13.122 1.157 283 2HE MET 36 3HE MET 36 -2.544 -13.107 -0.134 284 3HE MET 36 2HE MET 36 -1.578 -14.552 0.155 285 H PHE 37 H PHE 37 -2.099 -7.311 1.963 286 HA PHE 37 HA PHE 37 -4.898 -7.332 0.926 287 1HB PHE 37 2HB PHE 37 -4.602 -7.790 3.344 288 2HB PHE 37 1HB PHE 37 -3.785 -6.237 3.526 289 HD1 PHE 37 HD1 PHE 37 -7.011 -7.903 2.853 290 HD2 PHE 37 HD2 PHE 37 -5.019 -4.140 3.424 291 HE1 PHE 37 HE1 PHE 37 -9.207 -6.778 3.106 292 HE2 PHE 37 HE2 PHE 37 -7.215 -3.016 3.677 293 HZ PHE 37 HZ PHE 37 -9.309 -4.335 3.518 294 H ILE 38 H ILE 38 -5.967 -5.091 1.014 295 HA ILE 38 HA ILE 38 -4.780 -3.290 -0.742 296 HB ILE 38 HB ILE 38 -6.610 -2.569 1.569 297 1HG1 ILE 38 2HG1 ILE 38 -7.278 -3.343 -1.287 298 2HG1 ILE 38 1HG1 ILE 38 -7.461 -4.408 0.107 299 1HG2 ILE 38 3HG2 ILE 38 -5.284 -0.850 -0.079 300 2HG2 ILE 38 2HG2 ILE 38 -6.742 -1.148 -1.025 301 3HG2 ILE 38 1HG2 ILE 38 -6.869 -0.512 0.615 302 1HD1 ILE 38 1HD1 ILE 38 -8.705 -1.903 0.722 303 2HD1 ILE 38 3HD1 ILE 38 -9.293 -2.441 -0.851 304 3HD1 ILE 38 2HD1 ILE 38 -9.463 -3.487 0.559 305 H ASN 39 H ASN 39 -2.681 -2.641 -0.444 306 HA ASN 39 HA ASN 39 -1.381 -2.166 2.021 307 1HB ASN 39 2HB ASN 39 -0.194 -2.361 -0.127 308 2HB ASN 39 1HB ASN 39 -0.874 -0.824 -0.650 309 1HD2 ASN 39 1HD2 ASN 39 0.748 -1.978 2.380 310 2HD2 ASN 39 2HD2 ASN 39 1.823 -0.670 2.469 311 H LYS 40 H LYS 40 -2.803 0.262 -0.196 312 HA LYS 40 HA LYS 40 -2.376 2.562 1.255 313 1HB LYS 40 2HB LYS 40 -5.049 1.894 0.001 314 2HB LYS 40 1HB LYS 40 -4.359 3.500 0.239 315 1HG LYS 40 2HG LYS 40 -2.425 2.763 -1.237 316 2HG LYS 40 1HG LYS 40 -3.371 1.326 -1.623 317 1HD LYS 40 2HD LYS 40 -5.155 2.680 -2.552 318 2HD LYS 40 1HD LYS 40 -4.367 4.163 -2.013 319 1HE LYS 40 2HE LYS 40 -3.958 3.749 -4.421 320 2HE LYS 40 1HE LYS 40 -2.457 3.697 -3.497 321 1HZ LYS 40 2HZ LYS 40 -3.807 1.162 -3.674 322 2HZ LYS 40 1HZ LYS 40 -3.308 1.770 -5.180 323 3HZ LYS 40 3HZ LYS 40 -2.173 1.544 -3.940 324 H CYS 41 H CYS 41 -5.208 0.443 1.730 325 HA CYS 41 HA CYS 41 -6.125 1.828 4.074 326 1HB CYS 41 2HB CYS 41 -7.393 0.131 2.608 327 2HB CYS 41 1HB CYS 41 -6.555 -1.110 3.531 328 H ALA 42 H ALA 42 -4.170 -1.098 3.632 329 HA ALA 42 HA ALA 42 -3.800 -1.669 6.407 330 1HB ALA 42 3HB ALA 42 -3.164 -2.943 4.090 331 2HB ALA 42 1HB ALA 42 -2.521 -3.396 5.668 332 3HB ALA 42 2HB ALA 42 -1.576 -2.365 4.594 333 H THR 43 H THR 43 -2.105 0.573 4.253 334 HA THR 43 HA THR 43 -0.135 1.066 6.441 335 HB THR 43 HB THR 43 0.913 2.526 4.520 336 HG1 THR 43 HG1 THR 43 -0.625 2.415 2.992 337 1HG2 THR 43 1HG2 THR 43 1.729 0.317 5.533 338 2HG2 THR 43 3HG2 THR 43 0.942 -0.476 4.169 339 3HG2 THR 43 2HG2 THR 43 2.257 0.664 3.887 340 H CYS 44 H CYS 44 -2.413 2.760 4.289 341 HA CYS 44 HA CYS 44 -2.007 5.382 5.277 342 1HB CYS 44 2HB CYS 44 -3.407 4.867 3.299 343 2HB CYS 44 1HB CYS 44 -4.611 4.128 4.354 344 H LYS 45 H LYS 45 -3.768 2.659 6.651 345 HA LYS 45 HA LYS 45 -5.365 4.024 8.543 346 1HB LYS 45 2HB LYS 45 -5.284 1.508 8.068 347 2HB LYS 45 1HB LYS 45 -3.890 1.453 9.148 348 1HG LYS 45 2HG LYS 45 -5.256 2.456 10.951 349 2HG LYS 45 1HG LYS 45 -6.649 2.493 9.870 350 1HD LYS 45 2HD LYS 45 -6.613 0.058 9.681 351 2HD LYS 45 1HD LYS 45 -5.149 -0.022 10.661 352 1HE LYS 45 2HE LYS 45 -6.360 0.040 12.560 353 2HE LYS 45 1HE LYS 45 -7.173 1.515 12.037 354 1HZ LYS 45 1HZ LYS 45 -8.095 -0.756 10.592 355 2HZ LYS 45 3HZ LYS 45 -8.292 -0.978 12.262 356 3HZ LYS 45 2HZ LYS 45 -8.980 0.376 11.499 357 H MET 46 H MET 46 -2.038 2.767 8.991 358 HA MET 46 HA MET 46 -1.707 4.033 11.564 359 1HB MET 46 2HB MET 46 0.369 3.071 9.569 360 2HB MET 46 1HB MET 46 0.700 3.512 11.244 361 1HG MET 46 2HG MET 46 -0.943 1.758 11.967 362 2HG MET 46 1HG MET 46 -1.091 1.262 10.281 363 1HE MET 46 3HE MET 46 0.872 1.767 13.318 364 2HE MET 46 2HE MET 46 2.328 0.781 13.213 365 3HE MET 46 1HE MET 46 2.275 2.347 12.409 366 H ILE 47 H ILE 47 -1.000 4.983 8.234 367 HA ILE 47 HA ILE 47 0.447 7.388 8.961 368 HB ILE 47 HB ILE 47 -1.001 6.786 6.366 369 1HG1 ILE 47 2HG1 ILE 47 1.874 6.174 7.109 370 2HG1 ILE 47 1HG1 ILE 47 0.585 4.971 7.084 371 1HG2 ILE 47 3HG2 ILE 47 0.922 8.845 7.318 372 2HG2 ILE 47 2HG2 ILE 47 1.212 8.189 5.707 373 3HG2 ILE 47 1HG2 ILE 47 -0.329 8.962 6.081 374 1HD1 ILE 47 1HD1 ILE 47 0.396 6.331 4.624 375 2HD1 ILE 47 3HD1 ILE 47 2.117 6.040 4.872 376 3HD1 ILE 47 2HD1 ILE 47 0.983 4.689 4.885 377 H LEU 48 H LEU 48 -2.908 6.529 8.662 378 HA LEU 48 HA LEU 48 -3.916 9.228 8.323 379 1HB LEU 48 2HB LEU 48 -5.077 6.853 7.977 380 2HB LEU 48 1HB LEU 48 -5.554 7.106 9.655 381 HG LEU 48 HG LEU 48 -7.308 8.050 8.339 382 1HD1 LEU 48 1HD1 LEU 48 -6.305 9.475 10.221 383 2HD1 LEU 48 3HD1 LEU 48 -5.536 10.423 8.947 384 3HD1 LEU 48 2HD1 LEU 48 -7.295 10.328 9.036 385 1HD2 LEU 48 2HD2 LEU 48 -5.928 8.108 6.225 386 2HD2 LEU 48 1HD2 LEU 48 -6.943 9.530 6.465 387 3HD2 LEU 48 3HD2 LEU 48 -5.214 9.614 6.804 388 H GLU 49 H GLU 49 -3.374 7.081 11.105 389 HA GLU 49 HA GLU 49 -4.502 8.814 13.082 390 1HB GLU 49 2HB GLU 49 -2.218 6.842 13.402 391 2HB GLU 49 1HB GLU 49 -3.223 7.490 14.698 392 1HG GLU 49 2HG GLU 49 -5.204 6.429 13.740 393 2HG GLU 49 1HG GLU 49 -4.265 5.862 12.359 394 H LYS 50 H LYS 50 -1.351 8.713 11.515 395 HA LYS 50 HA LYS 50 0.190 10.297 13.233 396 1HB LYS 50 2HB LYS 50 0.978 9.283 11.073 397 2HB LYS 50 1HB LYS 50 0.123 10.562 10.211 398 1HG LYS 50 2HG LYS 50 1.467 12.258 11.413 399 2HG LYS 50 1HG LYS 50 2.334 10.970 12.249 400 1HD LYS 50 2HD LYS 50 3.047 10.081 10.013 401 2HD LYS 50 1HD LYS 50 2.301 11.492 9.262 402 1HE LYS 50 2HE LYS 50 3.792 12.780 11.061 403 2HE LYS 50 1HE LYS 50 4.766 11.315 10.945 404 1HZ LYS 50 3HZ LYS 50 4.276 11.826 8.371 405 2HZ LYS 50 2HZ LYS 50 4.327 13.407 8.992 406 3HZ LYS 50 1HZ LYS 50 5.656 12.367 9.194 407 H GLU 51 H GLU 51 -2.270 11.322 10.887 408 HA GLU 51 HA GLU 51 -1.880 14.123 11.084 409 1HB GLU 51 2HB GLU 51 -4.442 12.551 10.672 410 2HB GLU 51 1HB GLU 51 -4.283 14.289 10.414 411 1HG GLU 51 2HG GLU 51 -2.480 13.841 8.750 412 2HG GLU 51 1HG GLU 51 -2.744 12.111 8.967 413 H ALA 52 H ALA 52 -3.549 11.861 13.215 414 HA ALA 52 HA ALA 52 -4.909 13.793 14.827 415 1HB ALA 52 1HB ALA 52 -5.663 11.898 15.779 416 2HB ALA 52 2HB ALA 52 -4.061 11.593 16.450 417 3HB ALA 52 3HB ALA 52 -4.483 10.969 14.855 418 H LYS 53 H LYS 53 -1.587 12.682 14.751 419 HA LYS 53 HA LYS 53 -0.725 13.533 17.314 420 1HB LYS 53 2HB LYS 53 0.765 13.566 14.671 421 2HB LYS 53 1HB LYS 53 1.523 13.763 16.252 422 1HG LYS 53 2HG LYS 53 0.590 11.540 16.922 423 2HG LYS 53 1HG LYS 53 -0.023 11.341 15.280 424 1HD LYS 53 2HD LYS 53 2.320 11.624 14.432 425 2HD LYS 53 1HD LYS 53 2.879 11.652 16.104 426 1HE LYS 53 2HE LYS 53 2.471 9.406 16.421 427 2HE LYS 53 1HE LYS 53 1.117 9.386 15.291 428 1HZ LYS 53 3HZ LYS 53 3.648 10.002 14.068 429 2HZ LYS 53 2HZ LYS 53 3.592 8.453 14.764 430 3HZ LYS 53 1HZ LYS 53 2.451 8.901 13.588 431 H SER 54 H SER 54 -1.235 15.353 14.322 432 HA SER 54 HA SER 54 -0.051 17.808 15.205 433 1HB SER 54 2HB SER 54 -1.258 18.844 13.375 434 2HB SER 54 1HB SER 54 -0.691 17.265 12.830 435 HG SER 54 HG SER 54 -3.280 17.894 13.799 436 H GLN 55 H GLN 55 -3.124 16.288 15.861 437 HA GLN 55 HA GLN 55 -4.233 18.771 17.025 438 1HB GLN 55 2HB GLN 55 -5.359 15.963 16.800 439 2HB GLN 55 1HB GLN 55 -6.227 17.337 17.485 440 1HG GLN 55 2HG GLN 55 -6.051 18.538 15.351 441 2HG GLN 55 1HG GLN 55 -5.123 17.206 14.661 442 1HE2 GLN 55 1HE2 GLN 55 -7.596 17.994 13.483 443 2HE2 GLN 55 2HE2 GLN 55 -8.737 16.763 13.732 No H/Q in entry = 443 Start of MODEL 4 1 H1 LYS 1 3H LYS 1 -26.039 -17.903 17.066 2 H2 LYS 1 2H LYS 1 -27.616 -17.827 17.695 3 H3 LYS 1 1H LYS 1 -27.333 -18.564 16.190 4 HA LYS 1 HA LYS 1 -27.764 -16.643 15.207 5 1HB LYS 1 2HB LYS 1 -27.623 -15.475 18.004 6 2HB LYS 1 1HB LYS 1 -28.188 -14.601 16.580 7 1HG LYS 1 2HG LYS 1 -29.929 -16.366 16.246 8 2HG LYS 1 1HG LYS 1 -29.409 -17.117 17.755 9 1HD LYS 1 2HD LYS 1 -29.892 -14.962 18.935 10 2HD LYS 1 1HD LYS 1 -30.532 -14.319 17.423 11 1HE LYS 1 2HE LYS 1 -32.175 -15.414 19.156 12 2HE LYS 1 1HE LYS 1 -32.374 -15.759 17.438 13 1HZ LYS 1 2HZ LYS 1 -30.699 -17.452 19.192 14 2HZ LYS 1 1HZ LYS 1 -32.366 -17.724 19.010 15 3HZ LYS 1 3HZ LYS 1 -31.340 -17.826 17.664 16 H ASN 2 H ASN 2 -25.583 -15.525 17.821 17 HA ASN 2 HA ASN 2 -24.016 -13.845 16.165 18 1HB ASN 2 2HB ASN 2 -23.224 -15.344 18.681 19 2HB ASN 2 1HB ASN 2 -22.286 -14.040 17.955 20 1HD2 ASN 2 1HD2 ASN 2 -23.381 -13.807 20.602 21 2HD2 ASN 2 2HD2 ASN 2 -24.580 -12.606 20.577 22 H GLU 3 H GLU 3 -23.765 -17.306 16.827 23 HA GLU 3 HA GLU 3 -21.192 -17.777 15.729 24 1HB GLU 3 2HB GLU 3 -22.591 -19.468 16.954 25 2HB GLU 3 1HB GLU 3 -23.601 -19.607 15.515 26 1HG GLU 3 2HG GLU 3 -21.582 -20.246 14.201 27 2HG GLU 3 1HG GLU 3 -20.628 -20.190 15.684 28 H ASP 4 H ASP 4 -24.344 -17.394 14.164 29 HA ASP 4 HA ASP 4 -23.606 -18.240 11.551 30 1HB ASP 4 2HB ASP 4 -25.550 -16.039 12.312 31 2HB ASP 4 1HB ASP 4 -25.507 -16.900 10.774 32 H GLN 5 H GLN 5 -23.075 -15.209 13.258 33 HA GLN 5 HA GLN 5 -22.282 -13.638 10.998 34 1HB GLN 5 2HB GLN 5 -21.452 -13.457 13.910 35 2HB GLN 5 1HB GLN 5 -21.112 -12.224 12.696 36 1HG GLN 5 2HG GLN 5 -23.515 -11.921 12.300 37 2HG GLN 5 1HG GLN 5 -23.882 -13.198 13.460 38 1HE2 GLN 5 1HE2 GLN 5 -24.881 -10.565 13.876 39 2HE2 GLN 5 2HE2 GLN 5 -24.095 -9.887 15.219 40 H GLU 6 H GLU 6 -20.649 -16.093 12.866 41 HA GLU 6 HA GLU 6 -17.952 -15.430 12.176 42 1HB GLU 6 2HB GLU 6 -19.241 -18.102 12.806 43 2HB GLU 6 1HB GLU 6 -17.501 -17.853 12.661 44 1HG GLU 6 2HG GLU 6 -17.644 -16.118 14.454 45 2HG GLU 6 1HG GLU 6 -19.355 -16.499 14.643 46 H MET 7 H MET 7 -20.399 -17.447 10.556 47 HA MET 7 HA MET 7 -18.789 -18.512 8.497 48 1HB MET 7 2HB MET 7 -21.664 -17.563 8.285 49 2HB MET 7 1HB MET 7 -20.865 -18.682 7.181 50 1HG MET 7 2HG MET 7 -21.468 -19.121 10.117 51 2HG MET 7 1HG MET 7 -22.141 -20.000 8.745 52 1HE MET 7 1HE MET 7 -20.984 -21.313 7.166 53 2HE MET 7 3HE MET 7 -19.473 -20.452 6.840 54 3HE MET 7 2HE MET 7 -19.438 -22.137 7.355 55 H CYS 8 H CYS 8 -20.182 -15.304 8.869 56 HA CYS 8 HA CYS 8 -19.779 -14.367 6.212 57 1HB CYS 8 2HB CYS 8 -21.106 -13.132 7.884 58 2HB CYS 8 1HB CYS 8 -19.644 -12.820 8.817 59 H HIS 9 H HIS 9 -17.584 -14.610 8.970 60 HA HIS 9 HA HIS 9 -15.444 -13.030 8.101 61 1HB HIS 9 2HB HIS 9 -15.224 -14.064 10.227 62 2HB HIS 9 1HB HIS 9 -15.520 -15.671 9.568 63 HD1 HIS 9 HD1 HIS 9 -13.587 -16.433 7.718 64 HD2 HIS 9 HD2 HIS 9 -12.529 -13.525 10.511 65 HE1 HIS 9 HE1 HIS 9 -11.058 -16.367 7.758 66 H GLU 10 H GLU 10 -16.053 -16.458 7.270 67 HA GLU 10 HA GLU 10 -13.867 -16.844 5.543 68 1HB GLU 10 2HB GLU 10 -16.676 -17.968 5.411 69 2HB GLU 10 1HB GLU 10 -15.348 -18.543 4.402 70 1HG GLU 10 2HG GLU 10 -14.041 -18.959 6.530 71 2HG GLU 10 1HG GLU 10 -15.518 -18.608 7.427 72 H PHE 11 H PHE 11 -17.010 -15.323 4.872 73 HA PHE 11 HA PHE 11 -16.406 -15.014 2.031 74 1HB PHE 11 2HB PHE 11 -18.700 -14.713 3.708 75 2HB PHE 11 1HB PHE 11 -18.428 -13.178 2.883 76 HD1 PHE 11 HD1 PHE 11 -17.072 -14.291 0.398 77 HD2 PHE 11 HD2 PHE 11 -20.633 -15.479 2.493 78 HE1 PHE 11 HE1 PHE 11 -17.989 -15.246 -1.699 79 HE2 PHE 11 HE2 PHE 11 -21.545 -16.429 0.396 80 HZ PHE 11 HZ PHE 11 -20.224 -16.317 -1.699 81 H GLN 12 H GLN 12 -15.320 -13.474 4.805 82 HA GLN 12 HA GLN 12 -15.251 -10.740 3.849 83 1HB GLN 12 2HB GLN 12 -13.659 -12.190 5.983 84 2HB GLN 12 1HB GLN 12 -13.520 -10.461 5.669 85 1HG GLN 12 2HG GLN 12 -15.969 -10.225 6.076 86 2HG GLN 12 1HG GLN 12 -16.042 -11.939 6.482 87 1HE2 GLN 12 1HE2 GLN 12 -16.779 -10.096 8.463 88 2HE2 GLN 12 2HE2 GLN 12 -15.589 -10.044 9.672 89 H ALA 13 H ALA 13 -13.121 -13.535 3.575 90 HA ALA 13 HA ALA 13 -10.830 -12.118 2.568 91 1HB ALA 13 3HB ALA 13 -11.757 -14.960 2.591 92 2HB ALA 13 1HB ALA 13 -10.247 -14.269 3.185 93 3HB ALA 13 2HB ALA 13 -10.481 -14.521 1.455 94 H PHE 14 H PHE 14 -13.785 -13.308 1.092 95 HA PHE 14 HA PHE 14 -12.796 -12.874 -1.639 96 1HB PHE 14 2HB PHE 14 -15.558 -13.503 -0.552 97 2HB PHE 14 1HB PHE 14 -15.167 -13.391 -2.268 98 HD1 PHE 14 HD1 PHE 14 -13.497 -14.977 -3.271 99 HD2 PHE 14 HD2 PHE 14 -14.976 -15.432 0.736 100 HE1 PHE 14 HE1 PHE 14 -12.691 -17.322 -3.240 101 HE2 PHE 14 HE2 PHE 14 -14.170 -17.777 0.767 102 HZ PHE 14 HZ PHE 14 -13.028 -18.722 -1.221 103 H MET 15 H MET 15 -13.868 -10.874 0.823 104 HA MET 15 HA MET 15 -15.391 -8.998 -0.827 105 1HB MET 15 2HB MET 15 -15.549 -9.399 1.752 106 2HB MET 15 1HB MET 15 -14.162 -8.313 1.834 107 1HG MET 15 2HG MET 15 -16.718 -7.625 0.362 108 2HG MET 15 1HG MET 15 -16.424 -7.178 2.042 109 1HE MET 15 1HE MET 15 -14.574 -5.855 2.900 110 2HE MET 15 3HE MET 15 -13.239 -6.622 2.027 111 3HE MET 15 2HE MET 15 -13.431 -4.871 1.989 112 H LYS 16 H LYS 16 -14.559 -7.270 -1.931 113 HA LYS 16 HA LYS 16 -11.800 -6.363 -1.315 114 1HB LYS 16 2HB LYS 16 -12.734 -7.230 -4.069 115 2HB LYS 16 1HB LYS 16 -11.197 -6.435 -3.725 116 1HG LYS 16 2HG LYS 16 -10.678 -8.327 -2.131 117 2HG LYS 16 1HG LYS 16 -12.120 -9.146 -2.732 118 1HD LYS 16 2HD LYS 16 -11.184 -9.017 -5.042 119 2HD LYS 16 1HD LYS 16 -9.716 -8.299 -4.378 120 1HE LYS 16 2HE LYS 16 -10.762 -10.931 -3.340 121 2HE LYS 16 1HE LYS 16 -9.739 -10.865 -4.775 122 1HZ LYS 16 3HZ LYS 16 -8.394 -9.289 -3.085 123 2HZ LYS 16 2HZ LYS 16 -9.064 -10.411 -1.999 124 3HZ LYS 16 1HZ LYS 16 -8.088 -10.945 -3.283 125 H ASN 17 H ASN 17 -11.440 -4.179 -1.915 126 HA ASN 17 HA ASN 17 -12.150 -1.953 -2.191 127 1HB ASN 17 2HB ASN 17 -12.213 -3.092 -4.570 128 2HB ASN 17 1HB ASN 17 -13.958 -2.914 -4.388 129 1HD2 ASN 17 1HD2 ASN 17 -13.263 -1.374 -6.378 130 2HD2 ASN 17 2HD2 ASN 17 -12.992 0.246 -5.950 131 H GLY 18 H GLY 18 -13.767 -3.702 -0.405 132 1HA GLY 18 1HA GLY 18 -16.013 -1.892 -0.052 133 2HA GLY 18 2HA GLY 18 -15.689 -3.333 0.913 134 H LYS 19 H LYS 19 -15.476 -4.842 -1.755 135 HA LYS 19 HA LYS 19 -18.422 -5.106 -2.212 136 1HB LYS 19 2HB LYS 19 -17.028 -4.154 -4.140 137 2HB LYS 19 1HB LYS 19 -16.275 -5.744 -4.245 138 1HG LYS 19 2HG LYS 19 -19.034 -6.257 -4.108 139 2HG LYS 19 1HG LYS 19 -18.880 -4.883 -5.204 140 1HD LYS 19 2HD LYS 19 -16.895 -6.328 -6.207 141 2HD LYS 19 1HD LYS 19 -17.791 -7.661 -5.478 142 1HE LYS 19 2HE LYS 19 -18.839 -5.658 -7.499 143 2HE LYS 19 1HE LYS 19 -18.568 -7.381 -7.761 144 1HZ LYS 19 2HZ LYS 19 -20.189 -7.736 -5.880 145 2HZ LYS 19 1HZ LYS 19 -20.597 -6.094 -6.035 146 3HZ LYS 19 3HZ LYS 19 -20.846 -7.154 -7.335 147 H LEU 20 H LEU 20 -19.223 -7.148 -1.869 148 HA LEU 20 HA LEU 20 -17.319 -9.235 -1.028 149 1HB LEU 20 2HB LEU 20 -19.272 -9.050 0.353 150 2HB LEU 20 1HB LEU 20 -20.343 -9.073 -1.047 151 HG LEU 20 HG LEU 20 -19.431 -11.403 -1.549 152 1HD1 LEU 20 2HD1 LEU 20 -17.743 -10.679 0.647 153 2HD1 LEU 20 1HD1 LEU 20 -18.721 -12.064 1.132 154 3HD1 LEU 20 3HD1 LEU 20 -17.713 -12.158 -0.313 155 1HD2 LEU 20 3HD2 LEU 20 -21.639 -10.995 -0.492 156 2HD2 LEU 20 2HD2 LEU 20 -20.890 -12.484 0.086 157 3HD2 LEU 20 1HD2 LEU 20 -20.866 -11.035 1.094 158 H PHE 21 H PHE 21 -16.460 -10.547 -2.554 159 HA PHE 21 HA PHE 21 -17.818 -10.893 -5.144 160 1HB PHE 21 2HB PHE 21 -15.177 -11.842 -4.013 161 2HB PHE 21 1HB PHE 21 -15.778 -12.396 -5.576 162 HD1 PHE 21 HD1 PHE 21 -15.314 -9.195 -3.664 163 HD2 PHE 21 HD2 PHE 21 -15.181 -11.180 -7.471 164 HE1 PHE 21 HE1 PHE 21 -14.486 -7.110 -4.721 165 HE2 PHE 21 HE2 PHE 21 -14.353 -9.095 -8.528 166 HZ PHE 21 HZ PHE 21 -14.005 -7.061 -7.153 167 H CYS 22 H CYS 22 -19.216 -12.557 -5.501 168 HA CYS 22 HA CYS 22 -19.261 -14.774 -3.510 169 1HB CYS 22 2HB CYS 22 -21.314 -13.231 -4.288 170 2HB CYS 22 1HB CYS 22 -21.422 -14.468 -5.540 171 HA PRO 23 HA PRO 23 -17.489 -16.673 -7.427 172 1HB PRO 23 2HB PRO 23 -15.475 -17.985 -6.199 173 2HB PRO 23 1HB PRO 23 -15.325 -16.318 -6.759 174 1HG PRO 23 2HG PRO 23 -15.861 -17.352 -4.002 175 2HG PRO 23 1HG PRO 23 -14.789 -16.043 -4.510 176 1HD PRO 23 2HD PRO 23 -17.248 -15.584 -3.466 177 2HD PRO 23 1HD PRO 23 -16.512 -14.520 -4.665 178 H GLN 24 H GLN 24 -17.215 -19.074 -7.814 179 HA GLN 24 HA GLN 24 -19.337 -20.536 -6.452 180 1HB GLN 24 2HB GLN 24 -17.310 -21.345 -8.555 181 2HB GLN 24 1HB GLN 24 -18.552 -22.433 -7.935 182 1HG GLN 24 2HG GLN 24 -20.295 -20.802 -8.633 183 2HG GLN 24 1HG GLN 24 -19.034 -19.768 -9.306 184 1HE2 GLN 24 1HE2 GLN 24 -21.015 -20.757 -11.040 185 2HE2 GLN 24 2HE2 GLN 24 -20.340 -21.926 -12.068 186 H ASP 25 H ASP 25 -19.043 -21.566 -4.542 187 HA ASP 25 HA ASP 25 -16.338 -22.051 -3.523 188 1HB ASP 25 2HB ASP 25 -18.192 -21.290 -2.040 189 2HB ASP 25 1HB ASP 25 -19.022 -22.818 -2.334 190 H LYS 26 H LYS 26 -15.232 -23.899 -3.913 191 HA LYS 26 HA LYS 26 -16.324 -26.101 -5.369 192 1HB LYS 26 2HB LYS 26 -13.888 -25.552 -5.238 193 2HB LYS 26 1HB LYS 26 -13.887 -26.100 -3.562 194 1HG LYS 26 2HG LYS 26 -14.678 -28.333 -4.320 195 2HG LYS 26 1HG LYS 26 -14.595 -27.776 -5.991 196 1HD LYS 26 2HD LYS 26 -12.160 -27.272 -5.634 197 2HD LYS 26 1HD LYS 26 -12.287 -28.012 -4.038 198 1HE LYS 26 2HE LYS 26 -13.379 -29.654 -6.233 199 2HE LYS 26 1HE LYS 26 -11.640 -29.375 -6.329 200 1HZ LYS 26 2HZ LYS 26 -11.536 -30.057 -3.946 201 2HZ LYS 26 1HZ LYS 26 -13.160 -30.541 -4.066 202 3HZ LYS 26 3HZ LYS 26 -11.978 -31.300 -5.017 203 H LYS 27 H LYS 27 -15.992 -25.468 -1.919 204 HA LYS 27 HA LYS 27 -17.208 -28.130 -1.341 205 1HB LYS 27 2HB LYS 27 -16.622 -27.381 1.088 206 2HB LYS 27 1HB LYS 27 -15.308 -27.889 0.026 207 1HG LYS 27 2HG LYS 27 -14.590 -25.684 -0.347 208 2HG LYS 27 1HG LYS 27 -16.141 -24.997 0.135 209 1HD LYS 27 2HD LYS 27 -15.671 -25.903 2.472 210 2HD LYS 27 1HD LYS 27 -14.030 -26.232 1.918 211 1HE LYS 27 2HE LYS 27 -13.610 -23.915 1.495 212 2HE LYS 27 1HE LYS 27 -15.317 -23.505 1.665 213 1HZ LYS 27 1HZ LYS 27 -15.016 -24.486 4.016 214 2HZ LYS 27 3HZ LYS 27 -13.363 -24.216 3.749 215 3HZ LYS 27 2HZ LYS 27 -14.454 -22.914 3.700 216 HA PRO 28 HA PRO 28 -21.027 -25.781 -0.868 217 1HB PRO 28 2HB PRO 28 -22.579 -27.910 -0.264 218 2HB PRO 28 1HB PRO 28 -22.079 -27.522 -1.911 219 1HG PRO 28 2HG PRO 28 -20.935 -29.529 -0.005 220 2HG PRO 28 1HG PRO 28 -21.268 -29.700 -1.732 221 1HD PRO 28 1HD PRO 28 -18.779 -29.222 -0.789 222 2HD PRO 28 2HD PRO 28 -19.329 -28.599 -2.345 223 H ILE 29 H ILE 29 -22.333 -25.151 0.915 224 HA ILE 29 HA ILE 29 -21.733 -26.407 3.536 225 HB ILE 29 HB ILE 29 -20.402 -24.134 2.823 226 1HG1 ILE 29 2HG1 ILE 29 -20.076 -25.594 4.825 227 2HG1 ILE 29 1HG1 ILE 29 -19.927 -23.875 5.189 228 1HG2 ILE 29 2HG2 ILE 29 -22.706 -22.958 2.792 229 2HG2 ILE 29 1HG2 ILE 29 -22.654 -23.098 4.547 230 3HG2 ILE 29 3HG2 ILE 29 -21.412 -22.179 3.698 231 1HD1 ILE 29 2HD1 ILE 29 -22.631 -24.326 5.520 232 2HD1 ILE 29 1HD1 ILE 29 -21.917 -25.819 6.129 233 3HD1 ILE 29 3HD1 ILE 29 -21.446 -24.268 6.824 234 H GLN 30 H GLN 30 -23.595 -26.695 4.677 235 HA GLN 30 HA GLN 30 -26.099 -25.682 3.549 236 1HB GLN 30 2HB GLN 30 -25.689 -27.210 6.134 237 2HB GLN 30 1HB GLN 30 -27.187 -27.051 5.216 238 1HG GLN 30 2HG GLN 30 -26.154 -28.247 3.320 239 2HG GLN 30 1HG GLN 30 -24.654 -28.403 4.234 240 1HE2 GLN 30 1HE2 GLN 30 -26.371 -30.632 3.284 241 2HE2 GLN 30 2HE2 GLN 30 -26.872 -31.471 4.672 242 H SER 31 H SER 31 -27.305 -23.997 4.329 243 HA SER 31 HA SER 31 -26.138 -22.464 6.605 244 1HB SER 31 2HB SER 31 -27.014 -20.529 5.644 245 2HB SER 31 1HB SER 31 -26.650 -21.487 4.209 246 HG SER 31 HG SER 31 -28.974 -20.523 4.936 247 H LEU 32 H LEU 32 -28.159 -21.085 7.631 248 HA LEU 32 HA LEU 32 -30.219 -23.132 8.354 249 1HB LEU 32 2HB LEU 32 -30.251 -21.514 10.516 250 2HB LEU 32 1HB LEU 32 -29.208 -22.931 10.404 251 HG LEU 32 HG LEU 32 -27.416 -21.441 9.444 252 1HD1 LEU 32 2HD1 LEU 32 -29.598 -19.604 9.372 253 2HD1 LEU 32 1HD1 LEU 32 -28.402 -18.967 10.499 254 3HD1 LEU 32 3HD1 LEU 32 -27.939 -19.337 8.838 255 1HD2 LEU 32 2HD2 LEU 32 -28.529 -21.267 12.200 256 2HD2 LEU 32 1HD2 LEU 32 -26.940 -21.810 11.661 257 3HD2 LEU 32 3HD2 LEU 32 -27.291 -20.086 11.772 258 H ASP 33 H ASP 33 -29.727 -20.248 6.786 259 HA ASP 33 HA ASP 33 -32.169 -18.893 7.689 260 1HB ASP 33 2HB ASP 33 -30.182 -18.343 5.473 261 2HB ASP 33 1HB ASP 33 -31.613 -17.349 5.745 262 H GLY 34 H GLY 34 -31.803 -21.625 6.018 263 1HA GLY 34 1HA GLY 34 -34.316 -21.200 4.526 264 2HA GLY 34 2HA GLY 34 -33.539 -22.756 4.821 265 H ILE 35 H ILE 35 -31.013 -20.981 3.904 266 HA ILE 35 HA ILE 35 -31.536 -21.298 0.979 267 HB ILE 35 HB ILE 35 -29.343 -19.703 2.336 268 1HG1 ILE 35 2HG1 ILE 35 -31.868 -18.659 1.029 269 2HG1 ILE 35 1HG1 ILE 35 -31.716 -18.899 2.770 270 1HG2 ILE 35 3HG2 ILE 35 -30.298 -20.020 -0.513 271 2HG2 ILE 35 2HG2 ILE 35 -29.356 -18.620 0.001 272 3HG2 ILE 35 1HG2 ILE 35 -28.667 -20.239 0.122 273 1HD1 ILE 35 2HD1 ILE 35 -29.448 -17.440 1.626 274 2HD1 ILE 35 1HD1 ILE 35 -30.983 -16.607 1.387 275 3HD1 ILE 35 3HD1 ILE 35 -30.456 -17.034 3.015 276 H MET 36 H MET 36 -29.609 -22.060 -0.297 277 HA MET 36 HA MET 36 -28.231 -24.226 1.215 278 1HB MET 36 2HB MET 36 -28.804 -23.825 -1.731 279 2HB MET 36 1HB MET 36 -27.741 -25.097 -1.127 280 1HG MET 36 2HG MET 36 -29.634 -25.876 0.342 281 2HG MET 36 1HG MET 36 -30.675 -24.708 -0.472 282 1HE MET 36 2HE MET 36 -28.021 -27.154 -0.852 283 2HE MET 36 1HE MET 36 -29.132 -28.513 -0.996 284 3HE MET 36 3HE MET 36 -28.216 -27.961 -2.405 285 H PHE 37 H PHE 37 -26.436 -23.164 2.062 286 HA PHE 37 HA PHE 37 -24.253 -22.335 2.038 287 1HB PHE 37 2HB PHE 37 -23.799 -23.981 0.292 288 2HB PHE 37 1HB PHE 37 -24.458 -22.897 -0.931 289 HD1 PHE 37 HD1 PHE 37 -21.649 -23.499 1.379 290 HD2 PHE 37 HD2 PHE 37 -23.245 -20.911 -1.653 291 HE1 PHE 37 HE1 PHE 37 -19.444 -22.396 1.165 292 HE2 PHE 37 HE2 PHE 37 -21.036 -19.807 -1.871 293 HZ PHE 37 HZ PHE 37 -19.134 -20.549 -0.462 294 H ILE 38 H ILE 38 -25.916 -21.114 -0.882 295 HA ILE 38 HA ILE 38 -24.752 -18.656 -1.208 296 HB ILE 38 HB ILE 38 -27.732 -19.219 -1.213 297 1HG1 ILE 38 2HG1 ILE 38 -25.680 -19.184 -3.448 298 2HG1 ILE 38 1HG1 ILE 38 -26.382 -20.637 -2.736 299 1HG2 ILE 38 3HG2 ILE 38 -26.120 -16.936 -2.394 300 2HG2 ILE 38 2HG2 ILE 38 -27.823 -17.241 -2.735 301 3HG2 ILE 38 1HG2 ILE 38 -27.314 -16.814 -1.102 302 1HD1 ILE 38 2HD1 ILE 38 -28.492 -18.817 -3.466 303 2HD1 ILE 38 1HD1 ILE 38 -27.435 -19.072 -4.854 304 3HD1 ILE 38 3HD1 ILE 38 -28.195 -20.451 -4.059 305 H ASN 39 H ASN 39 -26.761 -19.626 1.500 306 HA ASN 39 HA ASN 39 -27.549 -17.189 2.587 307 1HB ASN 39 2HB ASN 39 -27.904 -19.527 3.561 308 2HB ASN 39 1HB ASN 39 -26.297 -19.367 4.272 309 1HD2 ASN 39 1HD2 ASN 39 -26.670 -18.897 6.464 310 2HD2 ASN 39 2HD2 ASN 39 -27.719 -17.686 7.023 311 H LYS 40 H LYS 40 -24.398 -18.792 3.239 312 HA LYS 40 HA LYS 40 -23.205 -16.838 4.793 313 1HB LYS 40 2HB LYS 40 -21.947 -18.438 2.549 314 2HB LYS 40 1HB LYS 40 -21.032 -17.524 3.748 315 1HG LYS 40 2HG LYS 40 -22.200 -18.857 5.540 316 2HG LYS 40 1HG LYS 40 -22.896 -19.857 4.264 317 1HD LYS 40 2HD LYS 40 -20.816 -20.849 5.218 318 2HD LYS 40 1HD LYS 40 -20.659 -20.489 3.499 319 1HE LYS 40 2HE LYS 40 -19.878 -18.362 5.448 320 2HE LYS 40 1HE LYS 40 -18.789 -19.734 5.245 321 1HZ LYS 40 2HZ LYS 40 -19.615 -18.945 2.709 322 2HZ LYS 40 1HZ LYS 40 -19.171 -17.531 3.540 323 3HZ LYS 40 3HZ LYS 40 -18.064 -18.806 3.389 324 H CYS 41 H CYS 41 -23.727 -16.783 1.307 325 HA CYS 41 HA CYS 41 -22.245 -14.292 0.936 326 1HB CYS 41 2HB CYS 41 -22.997 -16.275 -0.765 327 2HB CYS 41 1HB CYS 41 -24.274 -15.100 -1.070 328 H ALA 42 H ALA 42 -25.656 -15.250 1.208 329 HA ALA 42 HA ALA 42 -26.606 -12.511 0.853 330 1HB ALA 42 2HB ALA 42 -27.791 -15.184 1.203 331 2HB ALA 42 1HB ALA 42 -28.707 -13.883 1.965 332 3HB ALA 42 3HB ALA 42 -28.355 -13.820 0.238 333 H THR 43 H THR 43 -25.450 -14.394 3.511 334 HA THR 43 HA THR 43 -26.764 -12.563 5.458 335 HB THR 43 HB THR 43 -25.691 -14.212 7.130 336 HG1 THR 43 HG1 THR 43 -24.260 -15.262 5.850 337 1HG2 THR 43 1HG2 THR 43 -28.096 -14.190 6.557 338 2HG2 THR 43 3HG2 THR 43 -27.768 -15.230 5.170 339 3HG2 THR 43 2HG2 THR 43 -27.510 -15.835 6.807 340 H CYS 44 H CYS 44 -23.575 -13.689 4.381 341 HA CYS 44 HA CYS 44 -22.064 -12.162 6.287 342 1HB CYS 44 2HB CYS 44 -21.104 -14.036 4.976 343 2HB CYS 44 1HB CYS 44 -21.258 -13.072 3.510 344 H LYS 45 H LYS 45 -23.619 -11.340 3.265 345 HA LYS 45 HA LYS 45 -22.135 -8.952 2.699 346 1HB LYS 45 2HB LYS 45 -23.752 -10.132 1.134 347 2HB LYS 45 1HB LYS 45 -25.062 -9.421 2.077 348 1HG LYS 45 2HG LYS 45 -24.226 -7.170 1.593 349 2HG LYS 45 1HG LYS 45 -22.853 -7.847 0.718 350 1HD LYS 45 2HD LYS 45 -24.408 -8.896 -0.897 351 2HD LYS 45 1HD LYS 45 -25.773 -8.193 -0.029 352 1HE LYS 45 2HE LYS 45 -25.390 -6.653 -1.773 353 2HE LYS 45 1HE LYS 45 -24.555 -5.926 -0.399 354 1HZ LYS 45 3HZ LYS 45 -23.195 -7.721 -2.321 355 2HZ LYS 45 2HZ LYS 45 -23.274 -6.039 -2.545 356 3HZ LYS 45 1HZ LYS 45 -22.489 -6.681 -1.182 357 H MET 46 H MET 46 -25.143 -9.504 4.542 358 HA MET 46 HA MET 46 -25.333 -6.691 5.303 359 1HB MET 46 2HB MET 46 -26.763 -9.147 6.366 360 2HB MET 46 1HB MET 46 -27.172 -7.482 6.777 361 1HG MET 46 2HG MET 46 -27.565 -7.018 4.360 362 2HG MET 46 1HG MET 46 -27.244 -8.715 4.006 363 1HE MET 46 2HE MET 46 -28.344 -10.614 5.109 364 2HE MET 46 1HE MET 46 -28.613 -10.051 6.756 365 3HE MET 46 3HE MET 46 -29.968 -10.651 5.790 366 H ILE 47 H ILE 47 -23.897 -9.600 6.611 367 HA ILE 47 HA ILE 47 -23.434 -8.354 9.244 368 HB ILE 47 HB ILE 47 -22.427 -10.992 8.131 369 1HG1 ILE 47 2HG1 ILE 47 -24.766 -10.483 9.988 370 2HG1 ILE 47 1HG1 ILE 47 -24.941 -10.733 8.251 371 1HG2 ILE 47 1HG2 ILE 47 -22.264 -9.607 10.776 372 2HG2 ILE 47 3HG2 ILE 47 -22.483 -11.357 10.773 373 3HG2 ILE 47 2HG2 ILE 47 -21.079 -10.642 9.979 374 1HD1 ILE 47 3HD1 ILE 47 -23.563 -12.898 8.639 375 2HD1 ILE 47 2HD1 ILE 47 -23.965 -12.675 10.342 376 3HD1 ILE 47 1HD1 ILE 47 -25.250 -12.892 9.154 377 H LEU 48 H LEU 48 -21.824 -8.709 6.198 378 HA LEU 48 HA LEU 48 -19.147 -8.203 7.297 379 1HB LEU 48 2HB LEU 48 -19.493 -9.571 5.234 380 2HB LEU 48 1HB LEU 48 -20.105 -8.134 4.418 381 HG LEU 48 HG LEU 48 -17.999 -7.053 4.498 382 1HD1 LEU 48 2HD1 LEU 48 -17.355 -9.096 6.626 383 2HD1 LEU 48 1HD1 LEU 48 -16.081 -8.194 5.805 384 3HD1 LEU 48 3HD1 LEU 48 -17.304 -7.337 6.744 385 1HD2 LEU 48 2HD2 LEU 48 -17.498 -10.020 4.092 386 2HD2 LEU 48 1HD2 LEU 48 -18.035 -8.878 2.860 387 3HD2 LEU 48 3HD2 LEU 48 -16.421 -8.731 3.554 388 H GLU 49 H GLU 49 -21.868 -6.367 6.279 389 HA GLU 49 HA GLU 49 -20.311 -3.938 5.699 390 1HB GLU 49 2HB GLU 49 -23.279 -4.517 5.879 391 2HB GLU 49 1HB GLU 49 -22.636 -2.901 5.589 392 1HG GLU 49 2HG GLU 49 -21.441 -3.745 3.591 393 2HG GLU 49 1HG GLU 49 -22.113 -5.351 3.876 394 H LYS 50 H LYS 50 -22.033 -5.402 8.370 395 HA LYS 50 HA LYS 50 -22.391 -3.106 10.013 396 1HB LYS 50 2HB LYS 50 -21.840 -5.991 10.772 397 2HB LYS 50 1HB LYS 50 -22.353 -4.746 11.910 398 1HG LYS 50 2HG LYS 50 -24.416 -4.395 10.629 399 2HG LYS 50 1HG LYS 50 -23.896 -5.584 9.435 400 1HD LYS 50 2HD LYS 50 -23.805 -7.290 11.289 401 2HD LYS 50 1HD LYS 50 -24.530 -6.088 12.356 402 1HE LYS 50 2HE LYS 50 -26.580 -6.536 11.541 403 2HE LYS 50 1HE LYS 50 -26.029 -6.238 9.893 404 1HZ LYS 50 1HZ LYS 50 -25.127 -8.732 11.034 405 2HZ LYS 50 3HZ LYS 50 -26.807 -8.629 10.827 406 3HZ LYS 50 2HZ LYS 50 -25.773 -8.409 9.497 407 H GLU 51 H GLU 51 -19.592 -5.227 9.521 408 HA GLU 51 HA GLU 51 -17.957 -4.210 11.616 409 1HB GLU 51 2HB GLU 51 -17.174 -5.276 8.885 410 2HB GLU 51 1HB GLU 51 -16.048 -5.010 10.217 411 1HG GLU 51 2HG GLU 51 -17.415 -6.567 11.620 412 2HG GLU 51 1HG GLU 51 -18.423 -6.898 10.211 413 H ALA 52 H ALA 52 -18.638 -2.993 8.373 414 HA ALA 52 HA ALA 52 -16.585 -0.969 8.367 415 1HB ALA 52 2HB ALA 52 -17.975 -1.869 6.377 416 2HB ALA 52 1HB ALA 52 -19.218 -0.736 6.908 417 3HB ALA 52 3HB ALA 52 -17.633 -0.139 6.414 418 H LYS 53 H LYS 53 -19.813 -1.163 9.708 419 HA LYS 53 HA LYS 53 -21.023 0.346 11.035 420 1HB LYS 53 2HB LYS 53 -18.241 1.471 11.489 421 2HB LYS 53 1HB LYS 53 -19.662 1.841 12.465 422 1HG LYS 53 2HG LYS 53 -19.884 -0.585 12.999 423 2HG LYS 53 1HG LYS 53 -18.399 -0.893 12.099 424 1HD LYS 53 2HD LYS 53 -17.201 0.687 13.620 425 2HD LYS 53 1HD LYS 53 -18.684 0.858 14.559 426 1HE LYS 53 2HE LYS 53 -17.906 -0.904 15.759 427 2HE LYS 53 1HE LYS 53 -18.417 -1.880 14.382 428 1HZ LYS 53 2HZ LYS 53 -15.820 -0.608 14.140 429 2HZ LYS 53 1HZ LYS 53 -15.927 -1.838 15.307 430 3HZ LYS 53 3HZ LYS 53 -16.313 -2.170 13.689 431 H SER 54 H SER 54 -21.096 0.954 8.333 432 HA SER 54 HA SER 54 -20.261 3.591 7.642 433 1HB SER 54 2HB SER 54 -22.717 2.112 6.649 434 2HB SER 54 1HB SER 54 -21.902 3.449 5.838 435 HG SER 54 HG SER 54 -20.881 1.848 4.915 436 H GLN 55 H GLN 55 -23.015 2.404 9.464 437 HA GLN 55 HA GLN 55 -24.636 3.563 10.704 438 1HB GLN 55 2HB GLN 55 -22.607 4.744 11.576 439 2HB GLN 55 1HB GLN 55 -22.792 5.936 10.289 440 1HG GLN 55 2HG GLN 55 -25.024 6.524 11.133 441 2HG GLN 55 1HG GLN 55 -24.883 5.300 12.395 442 1HE2 GLN 55 1HE2 GLN 55 -25.280 7.866 13.310 443 2HE2 GLN 55 2HE2 GLN 55 -23.844 8.515 13.941 No H/Q in entry = 443 Start of MODEL 5 1 H1 LYS 1 3H LYS 1 -4.758 -8.738 1.778 2 H2 LYS 1 2H LYS 1 -3.376 -9.625 1.339 3 H3 LYS 1 1H LYS 1 -3.221 -8.034 1.915 4 HA LYS 1 HA LYS 1 -3.328 -7.270 -0.144 5 1HB LYS 1 2HB LYS 1 -3.973 -10.143 -0.873 6 2HB LYS 1 1HB LYS 1 -3.557 -8.881 -2.032 7 1HG LYS 1 2HG LYS 1 -1.386 -8.559 -0.838 8 2HG LYS 1 1HG LYS 1 -1.801 -9.910 0.217 9 1HD LYS 1 2HD LYS 1 -1.991 -11.375 -1.792 10 2HD LYS 1 1HD LYS 1 -1.472 -10.021 -2.797 11 1HE LYS 1 2HE LYS 1 0.699 -10.301 -2.221 12 2HE LYS 1 1HE LYS 1 0.302 -10.474 -0.512 13 1HZ LYS 1 1HZ LYS 1 -0.439 -12.680 -2.263 14 2HZ LYS 1 3HZ LYS 1 1.219 -12.469 -1.975 15 3HZ LYS 1 2HZ LYS 1 0.155 -12.706 -0.672 16 H ASN 2 H ASN 2 -4.901 -6.883 -2.019 17 HA ASN 2 HA ASN 2 -7.050 -6.235 -2.701 18 1HB ASN 2 2HB ASN 2 -7.916 -8.648 -1.080 19 2HB ASN 2 1HB ASN 2 -8.832 -7.860 -2.364 20 1HD2 ASN 2 1HD2 ASN 2 -6.730 -7.455 -4.260 21 2HD2 ASN 2 2HD2 ASN 2 -6.188 -8.971 -4.797 22 H GLU 3 H GLU 3 -6.080 -4.842 -0.498 23 HA GLU 3 HA GLU 3 -7.761 -4.849 1.800 24 1HB GLU 3 2HB GLU 3 -5.577 -3.616 1.583 25 2HB GLU 3 1HB GLU 3 -6.403 -2.435 0.566 26 1HG GLU 3 2HG GLU 3 -8.006 -2.004 2.424 27 2HG GLU 3 1HG GLU 3 -7.096 -3.124 3.439 28 H ASP 4 H ASP 4 -8.109 -3.294 -1.358 29 HA ASP 4 HA ASP 4 -10.271 -1.563 -0.749 30 1HB ASP 4 2HB ASP 4 -9.862 -3.097 -3.332 31 2HB ASP 4 1HB ASP 4 -10.766 -1.596 -3.130 32 H GLN 5 H GLN 5 -10.185 -5.026 -1.368 33 HA GLN 5 HA GLN 5 -13.014 -5.394 -1.703 34 1HB GLN 5 2HB GLN 5 -10.844 -7.276 -0.735 35 2HB GLN 5 1HB GLN 5 -12.503 -7.778 -1.061 36 1HG GLN 5 2HG GLN 5 -12.283 -6.979 -3.390 37 2HG GLN 5 1HG GLN 5 -10.620 -6.491 -3.063 38 1HE2 GLN 5 1HE2 GLN 5 -11.120 -8.421 -5.073 39 2HE2 GLN 5 2HE2 GLN 5 -10.558 -9.934 -4.547 40 H GLU 6 H GLU 6 -10.922 -5.192 1.130 41 HA GLU 6 HA GLU 6 -12.782 -6.171 3.062 42 1HB GLU 6 2HB GLU 6 -10.581 -4.102 3.350 43 2HB GLU 6 1HB GLU 6 -11.423 -4.867 4.698 44 1HG GLU 6 2HG GLU 6 -10.669 -7.088 3.884 45 2HG GLU 6 1HG GLU 6 -9.789 -6.295 2.577 46 H MET 7 H MET 7 -12.347 -2.982 1.593 47 HA MET 7 HA MET 7 -14.074 -1.522 3.335 48 1HB MET 7 2HB MET 7 -13.353 -1.143 0.419 49 2HB MET 7 1HB MET 7 -14.355 0.001 1.312 50 1HG MET 7 2HG MET 7 -12.517 0.220 2.996 51 2HG MET 7 1HG MET 7 -11.512 -0.814 1.982 52 1HE MET 7 2HE MET 7 -11.823 -0.567 -0.472 53 2HE MET 7 1HE MET 7 -12.714 0.776 -1.183 54 3HE MET 7 3HE MET 7 -10.945 0.793 -1.167 55 H CYS 8 H CYS 8 -14.718 -3.723 0.690 56 HA CYS 8 HA CYS 8 -17.486 -2.924 0.346 57 1HB CYS 8 2HB CYS 8 -16.246 -4.078 -1.448 58 2HB CYS 8 1HB CYS 8 -16.090 -5.503 -0.421 59 H HIS 9 H HIS 9 -15.781 -5.278 2.336 60 HA HIS 9 HA HIS 9 -17.899 -6.912 3.176 61 1HB HIS 9 2HB HIS 9 -15.753 -7.479 3.998 62 2HB HIS 9 1HB HIS 9 -15.463 -5.853 4.615 63 HD1 HIS 9 HD1 HIS 9 -17.279 -5.137 6.601 64 HD2 HIS 9 HD2 HIS 9 -16.628 -9.205 5.968 65 HE1 HIS 9 HE1 HIS 9 -18.091 -6.323 8.683 66 H GLU 10 H GLU 10 -16.907 -3.757 4.531 67 HA GLU 10 HA GLU 10 -18.929 -3.586 6.516 68 1HB GLU 10 2HB GLU 10 -16.974 -2.054 6.368 69 2HB GLU 10 1HB GLU 10 -17.692 -1.310 4.939 70 1HG GLU 10 2HG GLU 10 -19.726 -0.782 6.328 71 2HG GLU 10 1HG GLU 10 -18.847 -1.362 7.742 72 H PHE 11 H PHE 11 -18.996 -2.736 3.064 73 HA PHE 11 HA PHE 11 -21.667 -1.583 3.265 74 1HB PHE 11 2HB PHE 11 -19.611 -1.777 1.249 75 2HB PHE 11 1HB PHE 11 -21.151 -2.313 0.579 76 HD1 PHE 11 HD1 PHE 11 -22.967 -0.632 2.353 77 HD2 PHE 11 HD2 PHE 11 -19.422 0.357 0.131 78 HE1 PHE 11 HE1 PHE 11 -23.723 1.717 2.190 79 HE2 PHE 11 HE2 PHE 11 -20.187 2.708 -0.035 80 HZ PHE 11 HZ PHE 11 -22.337 3.391 0.995 81 H GLN 12 H GLN 12 -20.369 -4.757 2.918 82 HA GLN 12 HA GLN 12 -22.543 -5.998 1.525 83 1HB GLN 12 2HB GLN 12 -20.384 -7.137 1.888 84 2HB GLN 12 1HB GLN 12 -20.689 -7.168 3.625 85 1HG GLN 12 2HG GLN 12 -22.778 -8.483 3.175 86 2HG GLN 12 1HG GLN 12 -22.320 -8.551 1.473 87 1HE2 GLN 12 1HE2 GLN 12 -22.504 -11.011 2.601 88 2HE2 GLN 12 2HE2 GLN 12 -20.977 -11.656 2.968 89 H ALA 13 H ALA 13 -22.041 -5.141 4.909 90 HA ALA 13 HA ALA 13 -24.321 -6.590 5.924 91 1HB ALA 13 1HB ALA 13 -23.104 -4.072 7.089 92 2HB ALA 13 3HB ALA 13 -24.002 -5.324 7.947 93 3HB ALA 13 2HB ALA 13 -22.397 -5.674 7.304 94 H PHE 14 H PHE 14 -23.843 -3.353 4.593 95 HA PHE 14 HA PHE 14 -26.530 -2.444 5.238 96 1HB PHE 14 2HB PHE 14 -24.434 -1.406 3.308 97 2HB PHE 14 1HB PHE 14 -25.968 -0.595 3.619 98 HD1 PHE 14 HD1 PHE 14 -26.498 0.233 5.927 99 HD2 PHE 14 HD2 PHE 14 -22.625 -1.296 4.871 100 HE1 PHE 14 HE1 PHE 14 -25.527 1.296 7.947 101 HE2 PHE 14 HE2 PHE 14 -21.655 -0.233 6.890 102 HZ PHE 14 HZ PHE 14 -23.106 1.062 8.429 103 H MET 15 H MET 15 -25.446 -4.749 3.109 104 HA MET 15 HA MET 15 -27.161 -4.080 0.839 105 1HB MET 15 2HB MET 15 -24.993 -5.495 0.808 106 2HB MET 15 1HB MET 15 -26.006 -6.808 1.409 107 1HG MET 15 2HG MET 15 -26.789 -5.205 -1.026 108 2HG MET 15 1HG MET 15 -25.724 -6.606 -1.153 109 1HE MET 15 3HE MET 15 -26.192 -8.873 -0.412 110 2HE MET 15 2HE MET 15 -26.829 -8.515 1.191 111 3HE MET 15 1HE MET 15 -27.744 -9.551 0.098 112 H LYS 16 H LYS 16 -29.274 -4.678 0.589 113 HA LYS 16 HA LYS 16 -30.358 -6.838 2.325 114 1HB LYS 16 2HB LYS 16 -31.562 -4.065 2.061 115 2HB LYS 16 1HB LYS 16 -32.325 -5.427 2.880 116 1HG LYS 16 2HG LYS 16 -30.268 -5.561 4.355 117 2HG LYS 16 1HG LYS 16 -29.744 -4.036 3.641 118 1HD LYS 16 2HD LYS 16 -31.889 -2.996 4.372 119 2HD LYS 16 1HD LYS 16 -32.328 -4.512 5.159 120 1HE LYS 16 2HE LYS 16 -29.848 -4.128 6.202 121 2HE LYS 16 1HE LYS 16 -30.360 -2.454 5.983 122 1HZ LYS 16 2HZ LYS 16 -32.489 -3.968 7.039 123 2HZ LYS 16 1HZ LYS 16 -31.109 -4.205 8.001 124 3HZ LYS 16 3HZ LYS 16 -31.689 -2.635 7.726 125 H ASN 17 H ASN 17 -31.670 -8.169 1.161 126 HA ASN 17 HA ASN 17 -32.818 -9.021 -0.703 127 1HB ASN 17 2HB ASN 17 -33.822 -6.158 -0.736 128 2HB ASN 17 1HB ASN 17 -34.557 -7.499 -1.614 129 1HD2 ASN 17 1HD2 ASN 17 -35.996 -6.055 0.416 130 2HD2 ASN 17 2HD2 ASN 17 -36.270 -7.106 1.720 131 H GLY 18 H GLY 18 -30.156 -8.192 -1.264 132 1HA GLY 18 1HA GLY 18 -30.294 -7.976 -4.138 133 2HA GLY 18 2HA GLY 18 -28.818 -7.910 -3.176 134 H LYS 19 H LYS 19 -29.978 -5.653 -1.545 135 HA LYS 19 HA LYS 19 -29.540 -3.506 -3.581 136 1HB LYS 19 2HB LYS 19 -31.853 -3.339 -3.033 137 2HB LYS 19 1HB LYS 19 -31.546 -3.634 -1.322 138 1HG LYS 19 2HG LYS 19 -32.013 -1.213 -1.913 139 2HG LYS 19 1HG LYS 19 -30.494 -1.485 -1.060 140 1HD LYS 19 2HD LYS 19 -29.314 -0.647 -2.786 141 2HD LYS 19 1HD LYS 19 -30.096 -1.757 -3.912 142 1HE LYS 19 2HE LYS 19 -32.130 -0.022 -3.509 143 2HE LYS 19 1HE LYS 19 -30.764 1.066 -3.260 144 1HZ LYS 19 1HZ LYS 19 -29.939 -0.176 -5.428 145 2HZ LYS 19 3HZ LYS 19 -31.609 -0.337 -5.673 146 3HZ LYS 19 2HZ LYS 19 -30.923 1.207 -5.497 147 H LEU 20 H LEU 20 -27.881 -2.155 -3.053 148 HA LEU 20 HA LEU 20 -26.733 -2.410 -0.314 149 1HB LEU 20 2HB LEU 20 -25.137 -2.938 -2.041 150 2HB LEU 20 1HB LEU 20 -25.552 -1.483 -2.946 151 HG LEU 20 HG LEU 20 -24.810 -0.204 -0.807 152 1HD1 LEU 20 3HD1 LEU 20 -24.501 -2.839 0.096 153 2HD1 LEU 20 2HD1 LEU 20 -22.859 -2.269 -0.202 154 3HD1 LEU 20 1HD1 LEU 20 -23.916 -1.379 0.895 155 1HD2 LEU 20 3HD2 LEU 20 -23.584 -0.317 -3.006 156 2HD2 LEU 20 2HD2 LEU 20 -22.528 -0.124 -1.606 157 3HD2 LEU 20 1HD2 LEU 20 -22.695 -1.703 -2.375 158 H PHE 21 H PHE 21 -27.517 -0.817 1.004 159 HA PHE 21 HA PHE 21 -28.293 1.798 -0.088 160 1HB PHE 21 2HB PHE 21 -28.210 0.708 2.743 161 2HB PHE 21 1HB PHE 21 -28.800 2.316 2.321 162 HD1 PHE 21 HD1 PHE 21 -30.863 2.603 1.014 163 HD2 PHE 21 HD2 PHE 21 -29.464 -1.293 2.160 164 HE1 PHE 21 HE1 PHE 21 -33.077 1.640 0.445 165 HE2 PHE 21 HE2 PHE 21 -31.678 -2.255 1.592 166 HZ PHE 21 HZ PHE 21 -33.484 -0.789 0.734 167 H CYS 22 H CYS 22 -26.638 3.172 -0.589 168 HA CYS 22 HA CYS 22 -24.261 3.205 1.218 169 1HB CYS 22 2HB CYS 22 -24.451 4.376 -1.564 170 2HB CYS 22 1HB CYS 22 -22.991 4.045 -0.632 171 HA PRO 23 HA PRO 23 -26.559 7.261 1.909 172 1HB PRO 23 2HB PRO 23 -26.661 7.081 4.601 173 2HB PRO 23 1HB PRO 23 -27.908 6.402 3.552 174 1HG PRO 23 2HG PRO 23 -25.624 5.035 4.918 175 2HG PRO 23 1HG PRO 23 -27.295 4.495 4.735 176 1HD PRO 23 2HD PRO 23 -25.277 3.562 3.176 177 2HD PRO 23 1HD PRO 23 -26.939 3.699 2.603 178 H GLN 24 H GLN 24 -25.726 9.068 3.422 179 HA GLN 24 HA GLN 24 -22.785 9.077 3.281 180 1HB GLN 24 2HB GLN 24 -24.861 11.156 3.994 181 2HB GLN 24 1HB GLN 24 -23.136 11.452 4.211 182 1HG GLN 24 2HG GLN 24 -22.769 10.918 1.809 183 2HG GLN 24 1HG GLN 24 -24.509 10.709 1.609 184 1HE2 GLN 24 1HE2 GLN 24 -23.389 12.679 0.046 185 2HE2 GLN 24 2HE2 GLN 24 -23.762 14.220 0.652 186 H ASP 25 H ASP 25 -21.436 8.871 5.047 187 HA ASP 25 HA ASP 25 -22.764 8.324 7.658 188 1HB ASP 25 2HB ASP 25 -20.680 7.183 8.268 189 2HB ASP 25 1HB ASP 25 -21.282 6.557 6.734 190 H LYS 26 H LYS 26 -21.529 9.098 9.621 191 HA LYS 26 HA LYS 26 -21.044 11.937 9.416 192 1HB LYS 26 2HB LYS 26 -20.475 9.997 11.679 193 2HB LYS 26 1HB LYS 26 -20.413 11.755 11.815 194 1HG LYS 26 2HG LYS 26 -22.796 11.880 11.153 195 2HG LYS 26 1HG LYS 26 -22.852 10.120 11.048 196 1HD LYS 26 2HD LYS 26 -22.201 9.990 13.452 197 2HD LYS 26 1HD LYS 26 -22.258 11.751 13.537 198 1HE LYS 26 2HE LYS 26 -24.695 10.932 12.348 199 2HE LYS 26 1HE LYS 26 -24.433 9.865 13.727 200 1HZ LYS 26 2HZ LYS 26 -23.725 12.358 14.616 201 2HZ LYS 26 1HZ LYS 26 -25.126 12.627 13.692 202 3HZ LYS 26 3HZ LYS 26 -25.160 11.526 14.982 203 H LYS 27 H LYS 27 -18.980 9.089 9.490 204 HA LYS 27 HA LYS 27 -16.602 10.893 9.294 205 1HB LYS 27 2HB LYS 27 -16.695 9.264 11.239 206 2HB LYS 27 1HB LYS 27 -16.597 7.961 10.055 207 1HG LYS 27 2HG LYS 27 -14.571 9.856 9.404 208 2HG LYS 27 1HG LYS 27 -14.464 9.545 11.137 209 1HD LYS 27 2HD LYS 27 -14.873 7.169 9.399 210 2HD LYS 27 1HD LYS 27 -13.298 7.954 9.287 211 1HE LYS 27 2HE LYS 27 -12.688 6.965 11.214 212 2HE LYS 27 1HE LYS 27 -13.985 7.822 12.048 213 1HZ LYS 27 3HZ LYS 27 -15.196 5.775 10.651 214 2HZ LYS 27 2HZ LYS 27 -13.814 5.081 11.356 215 3HZ LYS 27 1HZ LYS 27 -14.962 5.871 12.328 216 HA PRO 28 HA PRO 28 -16.983 9.180 5.049 217 1HB PRO 28 2HB PRO 28 -15.617 11.201 3.887 218 2HB PRO 28 1HB PRO 28 -17.336 11.303 4.274 219 1HG PRO 28 2HG PRO 28 -14.985 12.382 5.784 220 2HG PRO 28 1HG PRO 28 -16.533 13.159 5.436 221 1HD PRO 28 1HD PRO 28 -15.999 12.038 7.837 222 2HD PRO 28 2HD PRO 28 -17.622 12.044 7.146 223 H ILE 29 H ILE 29 -15.467 7.945 3.957 224 HA ILE 29 HA ILE 29 -12.700 7.970 5.075 225 HB ILE 29 HB ILE 29 -14.091 5.832 5.118 226 1HG1 ILE 29 2HG1 ILE 29 -11.420 6.005 3.715 227 2HG1 ILE 29 1HG1 ILE 29 -11.736 5.610 5.402 228 1HG2 ILE 29 1HG2 ILE 29 -14.424 6.554 2.391 229 2HG2 ILE 29 3HG2 ILE 29 -13.481 5.066 2.408 230 3HG2 ILE 29 2HG2 ILE 29 -15.053 5.122 3.205 231 1HD1 ILE 29 1HD1 ILE 29 -12.965 3.558 4.578 232 2HD1 ILE 29 3HD1 ILE 29 -12.361 3.932 2.964 233 3HD1 ILE 29 2HD1 ILE 29 -11.230 3.552 4.264 234 H GLN 30 H GLN 30 -10.914 7.718 3.520 235 HA GLN 30 HA GLN 30 -11.510 9.151 0.986 236 1HB GLN 30 2HB GLN 30 -8.956 8.605 2.514 237 2HB GLN 30 1HB GLN 30 -8.954 9.272 0.881 238 1HG GLN 30 2HG GLN 30 -10.425 11.123 1.674 239 2HG GLN 30 1HG GLN 30 -10.312 10.477 3.312 240 1HE2 GLN 30 1HE2 GLN 30 -9.360 13.076 2.857 241 2HE2 GLN 30 2HE2 GLN 30 -7.664 13.089 2.939 242 H SER 31 H SER 31 -11.915 7.838 -0.721 243 HA SER 31 HA SER 31 -10.984 5.068 -0.768 244 1HB SER 31 2HB SER 31 -12.358 4.806 -2.647 245 2HB SER 31 1HB SER 31 -13.188 6.081 -1.755 246 HG SER 31 HG SER 31 -12.108 6.166 -4.201 247 H LEU 32 H LEU 32 -10.013 4.362 -3.044 248 HA LEU 32 HA LEU 32 -7.726 6.210 -3.594 249 1HB LEU 32 2HB LEU 32 -6.611 4.021 -4.396 250 2HB LEU 32 1HB LEU 32 -6.811 4.235 -2.656 251 HG LEU 32 HG LEU 32 -9.121 2.991 -4.012 252 1HD1 LEU 32 3HD1 LEU 32 -6.909 2.091 -5.112 253 2HD1 LEU 32 2HD1 LEU 32 -6.717 1.239 -3.580 254 3HD1 LEU 32 1HD1 LEU 32 -8.141 0.946 -4.579 255 1HD2 LEU 32 1HD2 LEU 32 -8.858 3.249 -1.545 256 2HD2 LEU 32 3HD2 LEU 32 -9.041 1.562 -2.028 257 3HD2 LEU 32 2HD2 LEU 32 -7.447 2.192 -1.611 258 H ASP 33 H ASP 33 -10.529 4.854 -4.905 259 HA ASP 33 HA ASP 33 -9.608 4.590 -7.656 260 1HB ASP 33 2HB ASP 33 -12.349 4.712 -6.384 261 2HB ASP 33 1HB ASP 33 -12.116 4.564 -8.126 262 H GLY 34 H GLY 34 -9.931 7.251 -5.742 263 1HA GLY 34 1HA GLY 34 -10.389 8.984 -8.120 264 2HA GLY 34 2HA GLY 34 -9.545 9.477 -6.652 265 H ILE 35 H ILE 35 -12.079 7.778 -5.506 266 HA ILE 35 HA ILE 35 -13.934 10.125 -5.566 267 HB ILE 35 HB ILE 35 -14.618 7.265 -4.831 268 1HG1 ILE 35 2HG1 ILE 35 -15.284 8.574 -7.462 269 2HG1 ILE 35 1HG1 ILE 35 -13.765 7.704 -7.249 270 1HG2 ILE 35 1HG2 ILE 35 -16.169 9.796 -5.346 271 2HG2 ILE 35 3HG2 ILE 35 -16.927 8.216 -5.542 272 3HG2 ILE 35 2HG2 ILE 35 -16.279 8.694 -3.974 273 1HD1 ILE 35 2HD1 ILE 35 -16.090 6.231 -6.224 274 2HD1 ILE 35 1HD1 ILE 35 -16.180 6.548 -7.956 275 3HD1 ILE 35 3HD1 ILE 35 -14.796 5.683 -7.288 276 H MET 36 H MET 36 -15.302 10.195 -3.431 277 HA MET 36 HA MET 36 -13.426 9.766 -1.140 278 1HB MET 36 2HB MET 36 -15.490 11.919 -1.654 279 2HB MET 36 1HB MET 36 -14.776 11.648 -0.064 280 1HG MET 36 2HG MET 36 -13.196 12.206 -2.593 281 2HG MET 36 1HG MET 36 -13.571 13.407 -1.358 282 1HE MET 36 3HE MET 36 -13.483 12.880 0.935 283 2HE MET 36 2HE MET 36 -12.873 11.365 1.594 284 3HE MET 36 1HE MET 36 -11.848 12.798 1.605 285 H PHE 37 H PHE 37 -14.141 7.864 -0.232 286 HA PHE 37 HA PHE 37 -15.552 6.435 0.967 287 1HB PHE 37 2HB PHE 37 -16.180 8.400 2.274 288 2HB PHE 37 1HB PHE 37 -17.351 8.868 1.041 289 HD1 PHE 37 HD1 PHE 37 -16.574 6.460 3.719 290 HD2 PHE 37 HD2 PHE 37 -19.435 7.633 0.738 291 HE1 PHE 37 HE1 PHE 37 -18.274 4.994 4.774 292 HE2 PHE 37 HE2 PHE 37 -21.135 6.166 1.792 293 HZ PHE 37 HZ PHE 37 -20.554 4.848 3.811 294 H ILE 38 H ILE 38 -17.614 8.413 -1.191 295 HA ILE 38 HA ILE 38 -19.583 6.588 -1.822 296 HB ILE 38 HB ILE 38 -18.088 8.382 -3.759 297 1HG1 ILE 38 2HG1 ILE 38 -20.683 8.753 -2.234 298 2HG1 ILE 38 1HG1 ILE 38 -19.156 9.558 -1.871 299 1HG2 ILE 38 2HG2 ILE 38 -19.583 6.377 -4.623 300 2HG2 ILE 38 1HG2 ILE 38 -20.907 7.448 -4.165 301 3HG2 ILE 38 3HG2 ILE 38 -19.722 7.973 -5.361 302 1HD1 ILE 38 3HD1 ILE 38 -19.180 10.537 -4.173 303 2HD1 ILE 38 2HD1 ILE 38 -20.769 9.817 -4.427 304 3HD1 ILE 38 1HD1 ILE 38 -20.551 11.059 -3.195 305 H ASN 39 H ASN 39 -16.200 6.440 -2.706 306 HA ASN 39 HA ASN 39 -16.290 4.559 -4.810 307 1HB ASN 39 2HB ASN 39 -14.241 5.764 -3.805 308 2HB ASN 39 1HB ASN 39 -14.214 4.461 -2.618 309 1HD2 ASN 39 1HD2 ASN 39 -12.549 3.073 -3.292 310 2HD2 ASN 39 2HD2 ASN 39 -12.370 2.482 -4.873 311 H LYS 40 H LYS 40 -16.170 3.967 -1.274 312 HA LYS 40 HA LYS 40 -16.049 1.212 -1.200 313 1HB LYS 40 2HB LYS 40 -17.864 3.018 0.421 314 2HB LYS 40 1HB LYS 40 -17.570 1.322 0.804 315 1HG LYS 40 2HG LYS 40 -15.057 1.961 0.730 316 2HG LYS 40 1HG LYS 40 -15.627 3.626 0.859 317 1HD LYS 40 2HD LYS 40 -16.861 3.044 2.916 318 2HD LYS 40 1HD LYS 40 -16.291 1.380 2.788 319 1HE LYS 40 2HE LYS 40 -14.090 3.277 2.606 320 2HE LYS 40 1HE LYS 40 -14.994 3.479 4.107 321 1HZ LYS 40 1HZ LYS 40 -14.286 0.775 3.208 322 2HZ LYS 40 3HZ LYS 40 -13.099 1.732 3.951 323 3HZ LYS 40 2HZ LYS 40 -14.531 1.357 4.785 324 H CYS 41 H CYS 41 -18.927 3.161 -1.882 325 HA CYS 41 HA CYS 41 -20.670 0.878 -2.273 326 1HB CYS 41 2HB CYS 41 -21.375 3.282 -1.768 327 2HB CYS 41 1HB CYS 41 -21.006 3.646 -3.449 328 H ALA 42 H ALA 42 -19.057 3.150 -4.485 329 HA ALA 42 HA ALA 42 -19.824 1.820 -6.896 330 1HB ALA 42 1HB ALA 42 -17.863 3.895 -6.111 331 2HB ALA 42 3HB ALA 42 -17.493 3.017 -7.594 332 3HB ALA 42 2HB ALA 42 -19.021 3.885 -7.441 333 H THR 43 H THR 43 -17.367 1.082 -4.536 334 HA THR 43 HA THR 43 -16.068 -0.797 -6.451 335 HB THR 43 HB THR 43 -14.441 -1.058 -4.451 336 HG1 THR 43 HG1 THR 43 -15.522 -0.108 -2.828 337 1HG2 THR 43 2HG2 THR 43 -14.084 0.270 -6.591 338 2HG2 THR 43 1HG2 THR 43 -14.607 1.694 -5.693 339 3HG2 THR 43 3HG2 THR 43 -13.158 0.821 -5.196 340 H CYS 44 H CYS 44 -17.756 -0.666 -3.340 341 HA CYS 44 HA CYS 44 -17.481 -3.475 -2.773 342 1HB CYS 44 2HB CYS 44 -18.065 -1.832 -1.024 343 2HB CYS 44 1HB CYS 44 -19.601 -1.523 -1.832 344 H LYS 45 H LYS 45 -19.846 -1.568 -4.585 345 HA LYS 45 HA LYS 45 -21.890 -3.512 -4.812 346 1HB LYS 45 2HB LYS 45 -21.803 -1.063 -5.695 347 2HB LYS 45 1HB LYS 45 -21.082 -1.772 -7.140 348 1HG LYS 45 2HG LYS 45 -23.051 -3.333 -7.271 349 2HG LYS 45 1HG LYS 45 -23.784 -2.441 -5.938 350 1HD LYS 45 2HD LYS 45 -23.809 -0.397 -7.245 351 2HD LYS 45 1HD LYS 45 -22.898 -1.169 -8.544 352 1HE LYS 45 2HE LYS 45 -24.796 -2.810 -8.793 353 2HE LYS 45 1HE LYS 45 -25.711 -1.842 -7.637 354 1HZ LYS 45 3HZ LYS 45 -24.915 0.042 -9.329 355 2HZ LYS 45 2HZ LYS 45 -25.021 -1.273 -10.400 356 3HZ LYS 45 1HZ LYS 45 -26.379 -0.797 -9.496 357 H MET 46 H MET 46 -18.900 -3.124 -6.702 358 HA MET 46 HA MET 46 -19.527 -5.396 -8.426 359 1HB MET 46 2HB MET 46 -16.953 -3.861 -7.950 360 2HB MET 46 1HB MET 46 -17.144 -5.125 -9.165 361 1HG MET 46 2HG MET 46 -19.038 -3.810 -10.152 362 2HG MET 46 1HG MET 46 -18.679 -2.515 -9.010 363 1HE MET 46 2HE MET 46 -16.804 -5.041 -11.245 364 2HE MET 46 1HE MET 46 -17.882 -4.182 -12.343 365 3HE MET 46 3HE MET 46 -16.129 -4.017 -12.510 366 H ILE 47 H ILE 47 -17.526 -4.818 -5.555 367 HA ILE 47 HA ILE 47 -16.559 -7.583 -5.504 368 HB ILE 47 HB ILE 47 -16.419 -5.470 -3.333 369 1HG1 ILE 47 2HG1 ILE 47 -14.340 -6.138 -5.433 370 2HG1 ILE 47 1HG1 ILE 47 -15.448 -4.772 -5.564 371 1HG2 ILE 47 3HG2 ILE 47 -15.254 -8.182 -3.756 372 2HG2 ILE 47 2HG2 ILE 47 -14.205 -6.959 -3.038 373 3HG2 ILE 47 1HG2 ILE 47 -15.727 -7.384 -2.256 374 1HD1 ILE 47 3HD1 ILE 47 -14.426 -4.532 -2.989 375 2HD1 ILE 47 2HD1 ILE 47 -13.034 -5.056 -3.936 376 3HD1 ILE 47 1HD1 ILE 47 -13.911 -3.596 -4.392 377 H LEU 48 H LEU 48 -19.463 -6.108 -4.738 378 HA LEU 48 HA LEU 48 -20.063 -7.803 -2.395 379 1HB LEU 48 2HB LEU 48 -20.909 -5.465 -2.508 380 2HB LEU 48 1HB LEU 48 -21.837 -5.888 -3.946 381 HG LEU 48 HG LEU 48 -22.751 -7.819 -2.372 382 1HD1 LEU 48 1HD1 LEU 48 -21.125 -6.988 -0.548 383 2HD1 LEU 48 3HD1 LEU 48 -22.239 -5.635 -0.348 384 3HD1 LEU 48 2HD1 LEU 48 -22.793 -7.285 -0.060 385 1HD2 LEU 48 1HD2 LEU 48 -23.591 -5.137 -3.043 386 2HD2 LEU 48 3HD2 LEU 48 -24.577 -6.584 -2.833 387 3HD2 LEU 48 2HD2 LEU 48 -24.188 -5.573 -1.442 388 H GLU 49 H GLU 49 -20.474 -7.782 -5.837 389 HA GLU 49 HA GLU 49 -22.655 -9.732 -5.851 390 1HB GLU 49 2HB GLU 49 -20.807 -8.750 -8.049 391 2HB GLU 49 1HB GLU 49 -22.187 -9.818 -8.305 392 1HG GLU 49 2HG GLU 49 -22.369 -7.070 -7.035 393 2HG GLU 49 1HG GLU 49 -22.715 -7.404 -8.732 394 H LYS 50 H LYS 50 -19.144 -9.762 -5.993 395 HA LYS 50 HA LYS 50 -18.763 -12.426 -6.923 396 1HB LYS 50 2HB LYS 50 -17.105 -10.815 -4.956 397 2HB LYS 50 1HB LYS 50 -16.569 -12.293 -5.756 398 1HG LYS 50 2HG LYS 50 -16.899 -11.198 -7.960 399 2HG LYS 50 1HG LYS 50 -17.379 -9.714 -7.136 400 1HD LYS 50 2HD LYS 50 -15.162 -9.665 -6.000 401 2HD LYS 50 1HD LYS 50 -14.687 -11.096 -6.915 402 1HE LYS 50 2HE LYS 50 -14.994 -9.875 -9.023 403 2HE LYS 50 1HE LYS 50 -15.536 -8.451 -8.136 404 1HZ LYS 50 2HZ LYS 50 -12.876 -9.722 -7.790 405 2HZ LYS 50 1HZ LYS 50 -13.169 -8.375 -8.785 406 3HZ LYS 50 3HZ LYS 50 -13.404 -8.258 -7.109 407 H GLU 51 H GLU 51 -19.552 -11.132 -3.736 408 HA GLU 51 HA GLU 51 -19.080 -13.455 -2.180 409 1HB GLU 51 2HB GLU 51 -21.269 -11.376 -1.868 410 2HB GLU 51 1HB GLU 51 -20.769 -12.522 -0.624 411 1HG GLU 51 2HG GLU 51 -18.493 -11.572 -0.657 412 2HG GLU 51 1HG GLU 51 -18.984 -10.432 -1.910 413 H ALA 52 H ALA 52 -21.763 -12.583 -4.298 414 HA ALA 52 HA ALA 52 -23.572 -14.646 -3.492 415 1HB ALA 52 2HB ALA 52 -24.022 -14.306 -6.207 416 2HB ALA 52 1HB ALA 52 -24.764 -13.353 -4.922 417 3HB ALA 52 3HB ALA 52 -23.308 -12.767 -5.727 418 H LYS 53 H LYS 53 -20.754 -14.630 -5.578 419 HA LYS 53 HA LYS 53 -21.250 -17.173 -6.845 420 1HB LYS 53 2HB LYS 53 -18.671 -15.662 -6.325 421 2HB LYS 53 1HB LYS 53 -18.787 -17.108 -7.328 422 1HG LYS 53 2HG LYS 53 -20.477 -15.925 -8.748 423 2HG LYS 53 1HG LYS 53 -20.203 -14.467 -7.794 424 1HD LYS 53 2HD LYS 53 -17.777 -14.585 -8.404 425 2HD LYS 53 1HD LYS 53 -18.145 -15.952 -9.455 426 1HE LYS 53 2HE LYS 53 -20.025 -14.063 -10.213 427 2HE LYS 53 1HE LYS 53 -18.590 -13.088 -9.898 428 1HZ LYS 53 1HZ LYS 53 -17.794 -15.389 -11.267 429 2HZ LYS 53 3HZ LYS 53 -19.119 -14.737 -12.100 430 3HZ LYS 53 2HZ LYS 53 -17.748 -13.778 -11.805 431 H SER 54 H SER 54 -19.746 -16.187 -3.813 432 HA SER 54 HA SER 54 -18.534 -18.706 -3.173 433 1HB SER 54 2HB SER 54 -18.400 -17.859 -0.902 434 2HB SER 54 1HB SER 54 -18.061 -16.527 -2.007 435 HG SER 54 HG SER 54 -20.558 -17.104 -0.792 436 H GLN 55 H GLN 55 -21.814 -17.523 -2.985 437 HA GLN 55 HA GLN 55 -22.691 -19.726 -1.245 438 1HB GLN 55 2HB GLN 55 -23.751 -17.448 -1.179 439 2HB GLN 55 1HB GLN 55 -24.371 -17.740 -2.804 440 1HG GLN 55 2HG GLN 55 -26.134 -18.354 -1.305 441 2HG GLN 55 1HG GLN 55 -25.431 -19.868 -1.874 442 1HE2 GLN 55 1HE2 GLN 55 -24.985 -21.323 -0.219 443 2HE2 GLN 55 2HE2 GLN 55 -24.644 -20.902 1.390 No H/Q in entry = 443 Start of MODEL 6 1 H1 LYS 1 2H LYS 1 -0.089 11.150 -9.840 2 H2 LYS 1 1H LYS 1 0.110 11.101 -8.153 3 H3 LYS 1 3H LYS 1 0.389 12.545 -8.997 4 HA LYS 1 HA LYS 1 2.475 12.006 -9.476 5 1HB LYS 1 2HB LYS 1 1.813 9.697 -7.621 6 2HB LYS 1 1HB LYS 1 3.447 10.184 -8.071 7 1HG LYS 1 2HG LYS 1 2.976 12.460 -7.151 8 2HG LYS 1 1HG LYS 1 1.399 11.881 -6.612 9 1HD LYS 1 2HD LYS 1 2.558 10.116 -5.270 10 2HD LYS 1 1HD LYS 1 4.104 10.824 -5.737 11 1HE LYS 1 2HE LYS 1 2.129 12.734 -4.638 12 2HE LYS 1 1HE LYS 1 2.729 11.536 -3.492 13 1HZ LYS 1 2HZ LYS 1 4.428 13.277 -5.197 14 2HZ LYS 1 1HZ LYS 1 4.115 13.527 -3.546 15 3HZ LYS 1 3HZ LYS 1 4.981 12.157 -4.045 16 H ASN 2 H ASN 2 1.887 11.497 -11.746 17 HA ASN 2 HA ASN 2 2.049 10.124 -13.642 18 1HB ASN 2 2HB ASN 2 3.426 8.221 -11.721 19 2HB ASN 2 1HB ASN 2 3.528 8.187 -13.481 20 1HD2 ASN 2 1HD2 ASN 2 3.826 10.971 -14.009 21 2HD2 ASN 2 2HD2 ASN 2 5.302 11.496 -13.355 22 H GLU 3 H GLU 3 -0.400 10.029 -12.354 23 HA GLU 3 HA GLU 3 -1.320 7.477 -11.542 24 1HB GLU 3 2HB GLU 3 -2.607 9.646 -11.401 25 2HB GLU 3 1HB GLU 3 -2.918 9.503 -13.131 26 1HG GLU 3 2HG GLU 3 -3.977 7.289 -12.735 27 2HG GLU 3 1HG GLU 3 -3.711 7.490 -11.003 28 H ASP 4 H ASP 4 -0.877 8.838 -14.781 29 HA ASP 4 HA ASP 4 -2.244 6.852 -16.272 30 1HB ASP 4 2HB ASP 4 0.303 8.320 -17.022 31 2HB ASP 4 1HB ASP 4 -0.780 7.498 -18.144 32 H GLN 5 H GLN 5 0.874 6.777 -14.669 33 HA GLN 5 HA GLN 5 1.998 4.520 -15.997 34 1HB GLN 5 2HB GLN 5 3.211 6.011 -14.376 35 2HB GLN 5 1HB GLN 5 2.310 5.242 -13.068 36 1HG GLN 5 2HG GLN 5 3.238 3.056 -13.687 37 2HG GLN 5 1HG GLN 5 4.097 3.787 -15.043 38 1HE2 GLN 5 1HE2 GLN 5 5.759 2.531 -13.301 39 2HE2 GLN 5 2HE2 GLN 5 6.563 3.632 -12.290 40 H GLU 6 H GLU 6 -0.228 4.753 -13.236 41 HA GLU 6 HA GLU 6 -0.266 1.935 -12.664 42 1HB GLU 6 2HB GLU 6 -2.335 4.090 -12.137 43 2HB GLU 6 1HB GLU 6 -2.391 2.463 -11.460 44 1HG GLU 6 2HG GLU 6 -0.173 2.850 -10.407 45 2HG GLU 6 1HG GLU 6 -0.177 4.495 -11.041 46 H MET 7 H MET 7 -2.187 4.005 -14.812 47 HA MET 7 HA MET 7 -4.109 2.000 -15.538 48 1HB MET 7 2HB MET 7 -3.109 4.407 -17.090 49 2HB MET 7 1HB MET 7 -4.529 3.452 -17.518 50 1HG MET 7 2HG MET 7 -4.117 5.021 -14.955 51 2HG MET 7 1HG MET 7 -5.238 5.417 -16.258 52 1HE MET 7 3HE MET 7 -6.401 3.589 -17.335 53 2HE MET 7 2HE MET 7 -6.742 2.002 -16.649 54 3HE MET 7 1HE MET 7 -7.896 3.315 -16.428 55 H CYS 8 H CYS 8 -0.902 2.822 -16.754 56 HA CYS 8 HA CYS 8 -0.918 1.322 -19.153 57 1HB CYS 8 2HB CYS 8 0.940 2.815 -18.522 58 2HB CYS 8 1HB CYS 8 1.377 1.723 -17.208 59 H HIS 9 H HIS 9 -0.217 0.289 -15.820 60 HA HIS 9 HA HIS 9 0.656 -2.309 -16.184 61 1HB HIS 9 2HB HIS 9 0.407 -1.582 -13.944 62 2HB HIS 9 1HB HIS 9 -1.283 -1.144 -14.183 63 HD1 HIS 9 HD1 HIS 9 -2.860 -3.339 -14.849 64 HD2 HIS 9 HD2 HIS 9 0.688 -4.075 -12.788 65 HE1 HIS 9 HE1 HIS 9 -3.084 -5.649 -13.845 66 H GLU 10 H GLU 10 -2.756 -1.241 -16.241 67 HA GLU 10 HA GLU 10 -3.931 -3.750 -16.784 68 1HB GLU 10 2HB GLU 10 -5.178 -1.634 -16.262 69 2HB GLU 10 1HB GLU 10 -4.832 -1.079 -17.900 70 1HG GLU 10 2HG GLU 10 -5.974 -3.101 -18.796 71 2HG GLU 10 1HG GLU 10 -6.372 -3.583 -17.147 72 H PHE 11 H PHE 11 -2.563 -1.350 -19.052 73 HA PHE 11 HA PHE 11 -3.218 -2.993 -21.365 74 1HB PHE 11 2HB PHE 11 -1.968 -0.377 -20.882 75 2HB PHE 11 1HB PHE 11 -1.220 -1.269 -22.204 76 HD1 PHE 11 HD1 PHE 11 -3.702 -2.831 -23.090 77 HD2 PHE 11 HD2 PHE 11 -3.104 1.320 -22.145 78 HE1 PHE 11 HE1 PHE 11 -5.605 -2.223 -24.548 79 HE2 PHE 11 HE2 PHE 11 -5.009 1.922 -23.604 80 HZ PHE 11 HZ PHE 11 -6.264 0.152 -24.804 81 H GLN 12 H GLN 12 -0.724 -2.979 -19.023 82 HA GLN 12 HA GLN 12 1.482 -3.942 -20.530 83 1HB GLN 12 2HB GLN 12 1.574 -3.261 -18.120 84 2HB GLN 12 1HB GLN 12 0.724 -4.750 -17.707 85 1HG GLN 12 2HG GLN 12 2.559 -6.047 -18.808 86 2HG GLN 12 1HG GLN 12 3.425 -4.533 -19.071 87 1HE2 GLN 12 1HE2 GLN 12 5.043 -4.345 -17.517 88 2HE2 GLN 12 2HE2 GLN 12 4.874 -4.751 -15.877 89 H ALA 13 H ALA 13 -1.278 -5.660 -19.091 90 HA ALA 13 HA ALA 13 -0.370 -8.304 -19.717 91 1HB ALA 13 1HB ALA 13 -3.206 -7.246 -19.486 92 2HB ALA 13 2HB ALA 13 -2.235 -7.882 -18.159 93 3HB ALA 13 3HB ALA 13 -2.748 -8.949 -19.466 94 H PHE 14 H PHE 14 -2.078 -5.844 -21.577 95 HA PHE 14 HA PHE 14 -2.559 -7.662 -23.832 96 1HB PHE 14 2HB PHE 14 -2.872 -4.657 -23.553 97 2HB PHE 14 1HB PHE 14 -3.363 -5.587 -24.969 98 HD1 PHE 14 HD1 PHE 14 -5.172 -7.295 -24.782 99 HD2 PHE 14 HD2 PHE 14 -4.163 -4.681 -21.526 100 HE1 PHE 14 HE1 PHE 14 -7.322 -7.843 -23.675 101 HE2 PHE 14 HE2 PHE 14 -6.313 -5.229 -20.419 102 HZ PHE 14 HZ PHE 14 -7.893 -6.810 -21.494 103 H MET 15 H MET 15 0.133 -6.091 -22.648 104 HA MET 15 HA MET 15 1.282 -5.243 -25.199 105 1HB MET 15 2HB MET 15 1.813 -4.359 -22.795 106 2HB MET 15 1HB MET 15 2.879 -5.760 -22.698 107 1HG MET 15 2HG MET 15 2.974 -3.743 -24.958 108 2HG MET 15 1HG MET 15 3.998 -3.648 -23.526 109 1HE MET 15 2HE MET 15 5.466 -5.455 -22.679 110 2HE MET 15 1HE MET 15 4.398 -6.834 -22.930 111 3HE MET 15 3HE MET 15 6.048 -6.861 -23.568 112 H LYS 16 H LYS 16 2.276 -6.600 -26.619 113 HA LYS 16 HA LYS 16 3.442 -9.136 -25.558 114 1HB LYS 16 2HB LYS 16 1.736 -8.871 -28.052 115 2HB LYS 16 1HB LYS 16 2.546 -10.343 -27.517 116 1HG LYS 16 2HG LYS 16 1.246 -10.230 -25.385 117 2HG LYS 16 1HG LYS 16 0.376 -8.836 -26.026 118 1HD LYS 16 2HD LYS 16 -0.381 -10.224 -27.946 119 2HD LYS 16 1HD LYS 16 0.437 -11.616 -27.239 120 1HE LYS 16 2HE LYS 16 -1.009 -10.894 -25.105 121 2HE LYS 16 1HE LYS 16 -2.057 -10.231 -26.360 122 1HZ LYS 16 2HZ LYS 16 -1.419 -12.660 -27.341 123 2HZ LYS 16 1HZ LYS 16 -1.520 -12.975 -25.675 124 3HZ LYS 16 3HZ LYS 16 -2.845 -12.300 -26.491 125 H ASN 17 H ASN 17 5.233 -9.930 -26.792 126 HA ASN 17 HA ASN 17 7.252 -9.561 -27.945 127 1HB ASN 17 2HB ASN 17 5.281 -8.408 -29.945 128 2HB ASN 17 1HB ASN 17 6.934 -8.906 -30.308 129 1HD2 ASN 17 1HD2 ASN 17 4.063 -10.013 -31.027 130 2HD2 ASN 17 2HD2 ASN 17 4.228 -11.679 -30.744 131 H GLY 18 H GLY 18 6.237 -7.373 -26.164 132 1HA GLY 18 1HA GLY 18 8.157 -5.341 -26.966 133 2HA GLY 18 2HA GLY 18 7.095 -5.260 -25.559 134 H LYS 19 H LYS 19 4.766 -5.877 -27.405 135 HA LYS 19 HA LYS 19 4.481 -3.124 -28.543 136 1HB LYS 19 2HB LYS 19 4.689 -5.086 -30.210 137 2HB LYS 19 1HB LYS 19 3.092 -5.569 -29.640 138 1HG LYS 19 2HG LYS 19 2.861 -2.820 -30.109 139 2HG LYS 19 1HG LYS 19 3.826 -3.416 -31.460 140 1HD LYS 19 2HD LYS 19 1.988 -5.347 -31.450 141 2HD LYS 19 1HD LYS 19 1.015 -4.088 -30.689 142 1HE LYS 19 2HE LYS 19 1.657 -2.556 -32.585 143 2HE LYS 19 1HE LYS 19 2.418 -3.939 -33.371 144 1HZ LYS 19 2HZ LYS 19 -0.085 -4.799 -32.623 145 2HZ LYS 19 1HZ LYS 19 -0.330 -3.237 -33.246 146 3HZ LYS 19 3HZ LYS 19 0.432 -4.417 -34.196 147 H LEU 20 H LEU 20 2.483 -2.115 -28.137 148 HA LEU 20 HA LEU 20 0.799 -3.483 -26.101 149 1HB LEU 20 2HB LEU 20 1.539 -1.306 -25.395 150 2HB LEU 20 1HB LEU 20 1.060 -0.582 -26.930 151 HG LEU 20 HG LEU 20 -1.319 -1.277 -26.402 152 1HD1 LEU 20 2HD1 LEU 20 -0.693 -3.023 -24.740 153 2HD1 LEU 20 1HD1 LEU 20 -0.129 -1.753 -23.654 154 3HD1 LEU 20 3HD1 LEU 20 -1.837 -1.855 -24.082 155 1HD2 LEU 20 1HD2 LEU 20 0.214 0.671 -24.682 156 2HD2 LEU 20 3HD2 LEU 20 -0.841 1.012 -26.053 157 3HD2 LEU 20 2HD2 LEU 20 -1.533 0.486 -24.518 158 H PHE 21 H PHE 21 -0.882 -4.585 -26.998 159 HA PHE 21 HA PHE 21 -2.050 -3.696 -29.552 160 1HB PHE 21 2HB PHE 21 -2.691 -6.030 -27.723 161 2HB PHE 21 1HB PHE 21 -3.492 -5.730 -29.265 162 HD1 PHE 21 HD1 PHE 21 -0.072 -6.112 -27.777 163 HD2 PHE 21 HD2 PHE 21 -2.573 -6.606 -31.234 164 HE1 PHE 21 HE1 PHE 21 1.790 -7.241 -28.963 165 HE2 PHE 21 HE2 PHE 21 -0.711 -7.736 -32.419 166 HZ PHE 21 HZ PHE 21 1.471 -8.054 -31.284 167 H CYS 22 H CYS 22 -3.600 -2.143 -29.520 168 HA CYS 22 HA CYS 22 -5.182 -1.750 -27.041 169 1HB CYS 22 2HB CYS 22 -4.046 0.019 -28.874 170 2HB CYS 22 1HB CYS 22 -5.770 0.072 -29.241 171 HA PRO 23 HA PRO 23 -8.535 -4.046 -28.966 172 1HB PRO 23 2HB PRO 23 -10.321 -3.668 -26.974 173 2HB PRO 23 1HB PRO 23 -9.005 -4.840 -26.873 174 1HG PRO 23 2HG PRO 23 -9.184 -2.082 -25.720 175 2HG PRO 23 1HG PRO 23 -8.568 -3.560 -24.975 176 1HD PRO 23 2HD PRO 23 -6.927 -1.676 -26.014 177 2HD PRO 23 1HD PRO 23 -6.521 -3.393 -26.033 178 H GLN 24 H GLN 24 -11.185 -3.337 -28.603 179 HA GLN 24 HA GLN 24 -11.544 -1.234 -30.492 180 1HB GLN 24 2HB GLN 24 -13.467 -2.435 -28.480 181 2HB GLN 24 1HB GLN 24 -13.950 -1.315 -29.753 182 1HG GLN 24 2HG GLN 24 -13.090 -2.872 -31.459 183 2HG GLN 24 1HG GLN 24 -12.581 -3.988 -30.192 184 1HE2 GLN 24 1HE2 GLN 24 -14.496 -4.771 -32.182 185 2HE2 GLN 24 2HE2 GLN 24 -15.997 -4.993 -31.420 186 H ASP 25 H ASP 25 -11.448 -1.236 -26.971 187 HA ASP 25 HA ASP 25 -11.501 0.540 -25.434 188 1HB ASP 25 2HB ASP 25 -10.357 1.947 -27.865 189 2HB ASP 25 1HB ASP 25 -10.376 2.629 -26.239 190 H LYS 26 H LYS 26 -14.001 0.093 -26.354 191 HA LYS 26 HA LYS 26 -15.270 2.245 -27.734 192 1HB LYS 26 2HB LYS 26 -16.331 0.025 -27.318 193 2HB LYS 26 1HB LYS 26 -16.469 0.440 -25.610 194 1HG LYS 26 2HG LYS 26 -17.826 2.434 -26.235 195 2HG LYS 26 1HG LYS 26 -17.741 1.935 -27.924 196 1HD LYS 26 2HD LYS 26 -18.790 -0.253 -27.259 197 2HD LYS 26 1HD LYS 26 -19.010 0.403 -25.637 198 1HE LYS 26 2HE LYS 26 -21.057 0.678 -27.000 199 2HE LYS 26 1HE LYS 26 -20.370 2.241 -26.556 200 1HZ LYS 26 1HZ LYS 26 -19.387 1.106 -29.034 201 2HZ LYS 26 3HZ LYS 26 -21.022 1.555 -29.050 202 3HZ LYS 26 2HZ LYS 26 -19.830 2.705 -28.668 203 H LYS 27 H LYS 27 -14.394 1.800 -24.355 204 HA LYS 27 HA LYS 27 -15.944 3.957 -23.281 205 1HB LYS 27 2HB LYS 27 -14.024 2.088 -22.319 206 2HB LYS 27 1HB LYS 27 -13.457 3.697 -21.870 207 1HG LYS 27 2HG LYS 27 -14.935 3.625 -20.165 208 2HG LYS 27 1HG LYS 27 -16.209 3.767 -21.375 209 1HD LYS 27 2HD LYS 27 -15.926 1.184 -21.626 210 2HD LYS 27 1HD LYS 27 -15.129 1.285 -20.055 211 1HE LYS 27 2HE LYS 27 -17.072 2.072 -18.984 212 2HE LYS 27 1HE LYS 27 -17.812 2.583 -20.501 213 1HZ LYS 27 2HZ LYS 27 -17.843 0.176 -21.127 214 2HZ LYS 27 1HZ LYS 27 -17.408 -0.186 -19.525 215 3HZ LYS 27 3HZ LYS 27 -18.878 0.596 -19.847 216 HA PRO 28 HA PRO 28 -13.765 7.472 -24.911 217 1HB PRO 28 2HB PRO 28 -14.487 9.311 -23.069 218 2HB PRO 28 1HB PRO 28 -15.592 8.709 -24.307 219 1HG PRO 28 2HG PRO 28 -15.348 7.914 -21.431 220 2HG PRO 28 1HG PRO 28 -16.807 8.200 -22.385 221 1HD PRO 28 2HD PRO 28 -15.887 5.707 -21.862 222 2HD PRO 28 1HD PRO 28 -16.736 6.105 -23.356 223 H ILE 29 H ILE 29 -11.661 8.101 -24.693 224 HA ILE 29 HA ILE 29 -10.480 8.047 -21.945 225 HB ILE 29 HB ILE 29 -8.300 7.628 -23.486 226 1HG1 ILE 29 2HG1 ILE 29 -8.984 5.860 -25.173 227 2HG1 ILE 29 1HG1 ILE 29 -10.648 6.404 -24.954 228 1HG2 ILE 29 3HG2 ILE 29 -9.873 6.155 -21.686 229 2HG2 ILE 29 2HG2 ILE 29 -9.630 5.084 -23.066 230 3HG2 ILE 29 1HG2 ILE 29 -8.238 5.765 -22.222 231 1HD1 ILE 29 1HD1 ILE 29 -9.053 8.727 -25.329 232 2HD1 ILE 29 3HD1 ILE 29 -8.587 7.573 -26.579 233 3HD1 ILE 29 2HD1 ILE 29 -10.272 8.069 -26.421 234 H GLN 30 H GLN 30 -8.537 9.478 -21.770 235 HA GLN 30 HA GLN 30 -8.417 11.696 -23.728 236 1HB GLN 30 2HB GLN 30 -10.126 12.347 -22.016 237 2HB GLN 30 1HB GLN 30 -8.895 12.163 -20.766 238 1HG GLN 30 2HG GLN 30 -7.538 13.910 -21.786 239 2HG GLN 30 1HG GLN 30 -8.656 14.029 -23.145 240 1HE2 GLN 30 1HE2 GLN 30 -8.329 16.391 -21.851 241 2HE2 GLN 30 2HE2 GLN 30 -9.640 16.740 -20.831 242 H SER 31 H SER 31 -6.273 12.144 -24.050 243 HA SER 31 HA SER 31 -4.287 10.865 -22.340 244 1HB SER 31 2HB SER 31 -4.355 11.658 -24.991 245 2HB SER 31 1HB SER 31 -3.272 12.837 -24.250 246 HG SER 31 HG SER 31 -2.613 10.480 -24.982 247 H LEU 32 H LEU 32 -2.875 11.839 -20.933 248 HA LEU 32 HA LEU 32 -3.672 14.479 -19.906 249 1HB LEU 32 2HB LEU 32 -1.541 12.520 -18.992 250 2HB LEU 32 1HB LEU 32 -2.004 13.988 -18.131 251 HG LEU 32 HG LEU 32 -4.365 13.086 -18.046 252 1HD1 LEU 32 3HD1 LEU 32 -2.942 10.763 -19.323 253 2HD1 LEU 32 2HD1 LEU 32 -4.337 10.477 -18.285 254 3HD1 LEU 32 1HD1 LEU 32 -4.506 11.465 -19.736 255 1HD2 LEU 32 2HD2 LEU 32 -2.122 11.499 -16.771 256 2HD2 LEU 32 1HD2 LEU 32 -2.948 12.900 -16.089 257 3HD2 LEU 32 3HD2 LEU 32 -3.812 11.374 -16.282 258 H ASP 33 H ASP 33 -1.344 13.163 -22.051 259 HA ASP 33 HA ASP 33 0.690 15.206 -21.659 260 1HB ASP 33 2HB ASP 33 0.206 13.279 -23.949 261 2HB ASP 33 1HB ASP 33 1.633 14.301 -23.781 262 H GLY 34 H GLY 34 -2.381 15.469 -22.786 263 1HA GLY 34 1HA GLY 34 -1.661 17.833 -24.436 264 2HA GLY 34 2HA GLY 34 -3.236 17.544 -23.695 265 H ILE 35 H ILE 35 -3.102 14.670 -24.629 266 HA ILE 35 HA ILE 35 -3.728 15.188 -27.509 267 HB ILE 35 HB ILE 35 -2.896 12.499 -26.416 268 1HG1 ILE 35 1HG1 ILE 35 -0.834 14.013 -27.857 269 2HG1 ILE 35 2HG1 ILE 35 -1.243 14.717 -26.294 270 1HG2 ILE 35 3HG2 ILE 35 -3.542 13.684 -29.012 271 2HG2 ILE 35 2HG2 ILE 35 -1.992 12.842 -29.019 272 3HG2 ILE 35 1HG2 ILE 35 -3.460 11.986 -28.544 273 1HD1 ILE 35 2HD1 ILE 35 -0.926 12.477 -25.240 274 2HD1 ILE 35 1HD1 ILE 35 -0.427 11.840 -26.807 275 3HD1 ILE 35 3HD1 ILE 35 0.547 13.073 -26.006 276 H MET 36 H MET 36 -5.642 14.235 -28.306 277 HA MET 36 HA MET 36 -7.543 13.357 -26.197 278 1HB MET 36 2HB MET 36 -8.021 14.090 -29.104 279 2HB MET 36 1HB MET 36 -9.274 13.733 -27.916 280 1HG MET 36 2HG MET 36 -8.497 15.638 -26.538 281 2HG MET 36 1HG MET 36 -7.264 16.001 -27.746 282 1HE MET 36 3HE MET 36 -10.760 15.369 -26.909 283 2HE MET 36 2HE MET 36 -11.765 16.430 -27.893 284 3HE MET 36 1HE MET 36 -11.193 14.903 -28.560 285 H PHE 37 H PHE 37 -5.370 11.634 -27.293 286 HA PHE 37 HA PHE 37 -6.957 9.574 -28.743 287 1HB PHE 37 2HB PHE 37 -4.778 10.219 -29.722 288 2HB PHE 37 1HB PHE 37 -3.974 9.752 -28.223 289 HD1 PHE 37 HD1 PHE 37 -5.765 8.533 -31.208 290 HD2 PHE 37 HD2 PHE 37 -3.735 7.407 -27.594 291 HE1 PHE 37 HE1 PHE 37 -5.670 6.182 -31.994 292 HE2 PHE 37 HE2 PHE 37 -3.640 5.057 -28.379 293 HZ PHE 37 HZ PHE 37 -4.607 4.444 -30.579 294 H ILE 38 H ILE 38 -6.492 7.259 -28.026 295 HA ILE 38 HA ILE 38 -7.333 6.756 -25.426 296 HB ILE 38 HB ILE 38 -5.386 5.055 -27.016 297 1HG1 ILE 38 1HG1 ILE 38 -8.417 4.979 -26.913 298 2HG1 ILE 38 2HG1 ILE 38 -7.482 5.677 -28.236 299 1HG2 ILE 38 2HG2 ILE 38 -5.861 4.616 -24.480 300 2HG2 ILE 38 1HG2 ILE 38 -7.438 4.067 -25.048 301 3HG2 ILE 38 3HG2 ILE 38 -5.972 3.267 -25.611 302 1HD1 ILE 38 3HD1 ILE 38 -6.684 2.938 -27.458 303 2HD1 ILE 38 2HD1 ILE 38 -8.298 3.070 -28.154 304 3HD1 ILE 38 1HD1 ILE 38 -6.897 3.634 -29.064 305 H ASN 39 H ASN 39 -6.389 7.835 -23.727 306 HA ASN 39 HA ASN 39 -3.649 8.503 -23.470 307 1HB ASN 39 2HB ASN 39 -5.441 9.457 -22.064 308 2HB ASN 39 1HB ASN 39 -5.627 7.908 -21.253 309 1HD2 ASN 39 1HD2 ASN 39 -2.731 9.876 -22.182 310 2HD2 ASN 39 2HD2 ASN 39 -2.027 9.832 -20.643 311 H LYS 40 H LYS 40 -5.376 5.787 -21.884 312 HA LYS 40 HA LYS 40 -3.242 4.560 -20.640 313 1HB LYS 40 2HB LYS 40 -5.401 3.135 -22.218 314 2HB LYS 40 1HB LYS 40 -4.404 2.409 -20.958 315 1HG LYS 40 2HG LYS 40 -5.320 3.936 -19.294 316 2HG LYS 40 1HG LYS 40 -6.231 4.793 -20.537 317 1HD LYS 40 2HD LYS 40 -7.439 2.653 -21.042 318 2HD LYS 40 1HD LYS 40 -6.611 1.911 -19.674 319 1HE LYS 40 2HE LYS 40 -8.341 2.660 -18.420 320 2HE LYS 40 1HE LYS 40 -7.619 4.259 -18.597 321 1HZ LYS 40 2HZ LYS 40 -9.558 3.084 -20.512 322 2HZ LYS 40 1HZ LYS 40 -9.983 4.151 -19.261 323 3HZ LYS 40 3HZ LYS 40 -8.960 4.675 -20.508 324 H CYS 41 H CYS 41 -4.227 3.847 -23.994 325 HA CYS 41 HA CYS 41 -1.847 2.316 -24.553 326 1HB CYS 41 2HB CYS 41 -4.175 3.328 -26.066 327 2HB CYS 41 1HB CYS 41 -2.702 3.140 -27.008 328 H ALA 42 H ALA 42 -2.653 5.722 -24.733 329 HA ALA 42 HA ALA 42 -0.348 6.406 -26.392 330 1HB ALA 42 1HB ALA 42 -1.041 8.780 -25.410 331 2HB ALA 42 3HB ALA 42 -1.999 7.998 -26.668 332 3HB ALA 42 2HB ALA 42 -2.513 7.907 -24.983 333 H THR 43 H THR 43 -1.023 6.204 -22.941 334 HA THR 43 HA THR 43 1.647 7.406 -22.387 335 HB THR 43 HB THR 43 0.664 7.116 -19.933 336 HG1 THR 43 HG1 THR 43 -1.683 7.572 -20.230 337 1HG2 THR 43 1HG2 THR 43 1.194 9.239 -21.251 338 2HG2 THR 43 3HG2 THR 43 -0.498 9.237 -21.750 339 3HG2 THR 43 2HG2 THR 43 -0.082 9.384 -20.042 340 H CYS 44 H CYS 44 -0.262 4.465 -22.034 341 HA CYS 44 HA CYS 44 1.601 3.063 -20.355 342 1HB CYS 44 2HB CYS 44 -0.744 2.317 -20.717 343 2HB CYS 44 1HB CYS 44 -0.344 1.929 -22.390 344 H LYS 45 H LYS 45 1.339 3.526 -23.847 345 HA LYS 45 HA LYS 45 3.234 1.561 -24.664 346 1HB LYS 45 2HB LYS 45 1.696 3.039 -26.124 347 2HB LYS 45 1HB LYS 45 2.960 4.262 -25.988 348 1HG LYS 45 2HG LYS 45 4.606 2.649 -26.891 349 2HG LYS 45 1HG LYS 45 3.330 1.442 -27.046 350 1HD LYS 45 2HD LYS 45 2.119 2.899 -28.611 351 2HD LYS 45 1HD LYS 45 3.354 4.144 -28.427 352 1HE LYS 45 2HE LYS 45 3.719 1.375 -29.605 353 2HE LYS 45 1HE LYS 45 3.828 2.914 -30.460 354 1HZ LYS 45 2HZ LYS 45 5.573 3.197 -28.399 355 2HZ LYS 45 1HZ LYS 45 5.789 1.575 -28.856 356 3HZ LYS 45 3HZ LYS 45 5.989 2.811 -30.000 357 H MET 46 H MET 46 3.696 5.008 -23.840 358 HA MET 46 HA MET 46 6.586 4.852 -24.093 359 1HB MET 46 2HB MET 46 4.854 6.895 -22.664 360 2HB MET 46 1HB MET 46 6.561 7.093 -23.059 361 1HG MET 46 2HG MET 46 4.305 6.706 -25.051 362 2HG MET 46 1HG MET 46 5.167 8.214 -24.743 363 1HE MET 46 2HE MET 46 7.531 8.150 -24.369 364 2HE MET 46 1HE MET 46 8.611 6.819 -24.774 365 3HE MET 46 3HE MET 46 8.389 8.159 -25.907 366 H ILE 47 H ILE 47 4.303 4.009 -21.665 367 HA ILE 47 HA ILE 47 6.271 4.162 -19.474 368 HB ILE 47 HB ILE 47 3.409 3.165 -19.586 369 1HG1 ILE 47 2HG1 ILE 47 4.486 5.547 -18.082 370 2HG1 ILE 47 1HG1 ILE 47 4.024 5.683 -19.779 371 1HG2 ILE 47 3HG2 ILE 47 5.482 3.155 -17.417 372 2HG2 ILE 47 2HG2 ILE 47 3.793 3.432 -16.987 373 3HG2 ILE 47 1HG2 ILE 47 4.263 1.938 -17.800 374 1HD1 ILE 47 2HD1 ILE 47 2.041 4.289 -18.104 375 2HD1 ILE 47 1HD1 ILE 47 2.295 5.977 -17.662 376 3HD1 ILE 47 3HD1 ILE 47 1.805 5.560 -19.304 377 H LEU 48 H LEU 48 4.901 1.786 -21.670 378 HA LEU 48 HA LEU 48 5.900 -0.511 -20.174 379 1HB LEU 48 2HB LEU 48 4.879 -0.185 -23.009 380 2HB LEU 48 1HB LEU 48 5.429 -1.729 -22.363 381 HG LEU 48 HG LEU 48 3.065 -0.070 -21.487 382 1HD1 LEU 48 2HD1 LEU 48 3.049 -1.938 -23.304 383 2HD1 LEU 48 1HD1 LEU 48 3.190 -3.041 -21.935 384 3HD1 LEU 48 3HD1 LEU 48 1.801 -1.961 -22.058 385 1HD2 LEU 48 3HD2 LEU 48 4.514 -2.258 -19.975 386 2HD2 LEU 48 2HD2 LEU 48 4.146 -0.627 -19.413 387 3HD2 LEU 48 1HD2 LEU 48 2.846 -1.799 -19.632 388 H GLU 49 H GLU 49 7.156 1.685 -22.574 389 HA GLU 49 HA GLU 49 9.331 0.025 -23.484 390 1HB GLU 49 2HB GLU 49 8.975 3.036 -23.443 391 2HB GLU 49 1HB GLU 49 10.323 2.217 -24.230 392 1HG GLU 49 2HG GLU 49 8.729 0.962 -25.646 393 2HG GLU 49 1HG GLU 49 7.386 1.797 -24.866 394 H LYS 50 H LYS 50 8.957 2.341 -20.825 395 HA LYS 50 HA LYS 50 11.654 2.563 -20.026 396 1HB LYS 50 2HB LYS 50 9.161 2.449 -18.300 397 2HB LYS 50 1HB LYS 50 10.745 2.990 -17.743 398 1HG LYS 50 2HG LYS 50 10.725 4.746 -19.515 399 2HG LYS 50 1HG LYS 50 9.096 4.240 -19.961 400 1HD LYS 50 2HD LYS 50 8.354 4.719 -17.623 401 2HD LYS 50 1HD LYS 50 9.970 5.328 -17.267 402 1HE LYS 50 2HE LYS 50 9.322 6.683 -19.584 403 2HE LYS 50 1HE LYS 50 7.772 6.603 -18.745 404 1HZ LYS 50 3HZ LYS 50 8.942 7.435 -16.739 405 2HZ LYS 50 2HZ LYS 50 10.330 7.675 -17.690 406 3HZ LYS 50 1HZ LYS 50 8.909 8.546 -18.020 407 H GLU 51 H GLU 51 9.338 -0.047 -19.518 408 HA GLU 51 HA GLU 51 10.833 -1.497 -17.554 409 1HB GLU 51 2HB GLU 51 8.904 -2.483 -19.678 410 2HB GLU 51 1HB GLU 51 9.499 -3.460 -18.335 411 1HG GLU 51 2HG GLU 51 8.558 -1.794 -16.744 412 2HG GLU 51 1HG GLU 51 7.907 -0.886 -18.109 413 H ALA 52 H ALA 52 11.105 -1.247 -21.043 414 HA ALA 52 HA ALA 52 12.720 -3.562 -21.499 415 1HB ALA 52 2HB ALA 52 12.320 -2.785 -23.581 416 2HB ALA 52 1HB ALA 52 11.929 -1.177 -22.971 417 3HB ALA 52 3HB ALA 52 13.606 -1.611 -23.301 418 H LYS 53 H LYS 53 13.454 -0.383 -20.220 419 HA LYS 53 HA LYS 53 16.291 -0.434 -20.572 420 1HB LYS 53 2HB LYS 53 14.588 0.877 -18.432 421 2HB LYS 53 1HB LYS 53 16.310 1.184 -18.653 422 1HG LYS 53 2HG LYS 53 15.831 1.881 -21.010 423 2HG LYS 53 1HG LYS 53 14.109 1.695 -20.677 424 1HD LYS 53 2HD LYS 53 14.347 3.342 -18.804 425 2HD LYS 53 1HD LYS 53 16.025 3.593 -19.288 426 1HE LYS 53 2HE LYS 53 14.032 3.815 -21.469 427 2HE LYS 53 1HE LYS 53 13.945 5.074 -20.237 428 1HZ LYS 53 1HZ LYS 53 16.447 4.277 -21.617 429 2HZ LYS 53 3HZ LYS 53 15.476 5.581 -22.100 430 3HZ LYS 53 2HZ LYS 53 16.227 5.602 -20.576 431 H SER 54 H SER 54 14.169 -1.864 -18.144 432 HA SER 54 HA SER 54 16.163 -2.554 -16.223 433 1HB SER 54 2HB SER 54 14.550 -4.149 -15.369 434 2HB SER 54 1HB SER 54 13.673 -2.706 -15.878 435 HG SER 54 HG SER 54 12.757 -3.793 -17.427 436 H GLN 55 H GLN 55 15.286 -3.971 -19.300 437 HA GLN 55 HA GLN 55 17.517 -5.916 -18.945 438 1HB GLN 55 2HB GLN 55 15.318 -7.065 -18.579 439 2HB GLN 55 1HB GLN 55 14.846 -6.595 -20.212 440 1HG GLN 55 2HG GLN 55 16.765 -7.828 -21.135 441 2HG GLN 55 1HG GLN 55 17.273 -8.274 -19.506 442 1HE2 GLN 55 1HE2 GLN 55 16.751 -10.395 -21.184 443 2HE2 GLN 55 2HE2 GLN 55 15.270 -11.126 -20.794 No H/Q in entry = 443 Start of MODEL 7 1 H1 LYS 1 3H LYS 1 16.814 12.762 7.797 2 H2 LYS 1 2H LYS 1 17.735 11.339 7.680 3 H3 LYS 1 1H LYS 1 16.908 11.704 9.119 4 HA LYS 1 HA LYS 1 18.429 13.216 9.808 5 1HB LYS 1 2HB LYS 1 19.571 11.016 9.450 6 2HB LYS 1 1HB LYS 1 20.084 11.583 7.861 7 1HG LYS 1 2HG LYS 1 21.235 13.504 8.952 8 2HG LYS 1 1HG LYS 1 20.781 12.852 10.527 9 1HD LYS 1 2HD LYS 1 21.988 10.734 9.931 10 2HD LYS 1 1HD LYS 1 22.543 11.517 8.451 11 1HE LYS 1 2HE LYS 1 23.658 13.263 9.775 12 2HE LYS 1 1HE LYS 1 23.074 12.521 11.265 13 1HZ LYS 1 3HZ LYS 1 24.543 10.818 9.405 14 2HZ LYS 1 2HZ LYS 1 25.439 11.978 10.263 15 3HZ LYS 1 1HZ LYS 1 24.530 10.813 11.101 16 H ASN 2 H ASN 2 18.497 15.345 9.276 17 HA ASN 2 HA ASN 2 18.927 17.300 8.053 18 1HB ASN 2 2HB ASN 2 20.688 15.454 6.410 19 2HB ASN 2 1HB ASN 2 20.767 17.216 6.436 20 1HD2 ASN 2 1HD2 ASN 2 20.506 17.706 9.216 21 2HD2 ASN 2 2HD2 ASN 2 21.843 17.044 10.025 22 H GLU 3 H GLU 3 16.613 15.768 7.365 23 HA GLU 3 HA GLU 3 16.276 15.227 4.616 24 1HB GLU 3 2HB GLU 3 14.271 16.386 6.577 25 2HB GLU 3 1HB GLU 3 13.862 15.686 5.011 26 1HG GLU 3 2HG GLU 3 14.882 13.538 5.727 27 2HG GLU 3 1HG GLU 3 15.228 14.245 7.306 28 H ASP 4 H ASP 4 16.407 18.287 6.321 29 HA ASP 4 HA ASP 4 15.231 19.970 4.363 30 1HB ASP 4 2HB ASP 4 17.384 20.414 6.428 31 2HB ASP 4 1HB ASP 4 16.879 21.708 5.341 32 H GLN 5 H GLN 5 18.470 18.585 4.582 33 HA GLN 5 HA GLN 5 19.780 20.114 2.607 34 1HB GLN 5 2HB GLN 5 20.830 18.331 4.051 35 2HB GLN 5 1HB GLN 5 20.091 17.124 2.999 36 1HG GLN 5 2HG GLN 5 21.262 18.156 1.053 37 2HG GLN 5 1HG GLN 5 22.059 19.274 2.160 38 1HE2 GLN 5 1HE2 GLN 5 24.082 18.572 2.849 39 2HE2 GLN 5 2HE2 GLN 5 24.578 16.951 2.935 40 H GLU 6 H GLU 6 17.447 17.492 2.276 41 HA GLU 6 HA GLU 6 17.820 17.083 -0.551 42 1HB GLU 6 2HB GLU 6 15.393 16.594 1.205 43 2HB GLU 6 1HB GLU 6 15.584 15.995 -0.442 44 1HG GLU 6 2HG GLU 6 17.624 14.768 0.255 45 2HG GLU 6 1HG GLU 6 17.391 15.341 1.906 46 H MET 7 H MET 7 15.718 19.215 1.355 47 HA MET 7 HA MET 7 14.137 20.216 -0.794 48 1HB MET 7 2HB MET 7 15.027 21.496 1.804 49 2HB MET 7 1HB MET 7 13.875 22.248 0.702 50 1HG MET 7 2HG MET 7 12.521 20.093 0.854 51 2HG MET 7 1HG MET 7 13.577 19.631 2.189 52 1HE MET 7 3HE MET 7 14.427 21.468 3.580 53 2HE MET 7 2HE MET 7 13.669 23.043 3.801 54 3HE MET 7 1HE MET 7 13.268 21.720 4.893 55 H CYS 8 H CYS 8 17.399 20.967 0.258 56 HA CYS 8 HA CYS 8 17.681 23.435 -1.180 57 1HB CYS 8 2HB CYS 8 19.256 22.711 0.592 58 2HB CYS 8 1HB CYS 8 19.806 21.397 -0.447 59 H HIS 9 H HIS 9 18.466 20.061 -2.044 60 HA HIS 9 HA HIS 9 19.650 20.397 -4.525 61 1HB HIS 9 2HB HIS 9 19.367 18.164 -3.800 62 2HB HIS 9 1HB HIS 9 17.635 18.372 -3.549 63 HD1 HIS 9 HD1 HIS 9 16.285 18.956 -5.914 64 HD2 HIS 9 HD2 HIS 9 19.939 16.975 -6.226 65 HE1 HIS 9 HE1 HIS 9 16.334 17.906 -8.216 66 H GLU 10 H GLU 10 16.135 20.411 -3.871 67 HA GLU 10 HA GLU 10 15.317 20.919 -6.549 68 1HB GLU 10 2HB GLU 10 14.026 21.636 -3.903 69 2HB GLU 10 1HB GLU 10 13.232 21.849 -5.463 70 1HG GLU 10 2HG GLU 10 13.613 19.409 -5.919 71 2HG GLU 10 1HG GLU 10 14.234 19.244 -4.277 72 H PHE 11 H PHE 11 16.493 23.089 -4.021 73 HA PHE 11 HA PHE 11 15.732 25.493 -5.494 74 1HB PHE 11 2HB PHE 11 16.583 24.929 -2.870 75 2HB PHE 11 1HB PHE 11 17.866 25.908 -3.577 76 HD1 PHE 11 HD1 PHE 11 15.949 27.334 -5.589 77 HD2 PHE 11 HD2 PHE 11 15.818 26.694 -1.338 78 HE1 PHE 11 HE1 PHE 11 14.561 29.369 -5.322 79 HE2 PHE 11 HE2 PHE 11 14.436 28.731 -1.079 80 HZ PHE 11 HZ PHE 11 13.801 30.065 -3.068 81 H GLN 12 H GLN 12 18.194 23.194 -5.791 82 HA GLN 12 HA GLN 12 20.353 24.919 -6.645 83 1HB GLN 12 2HB GLN 12 19.785 21.985 -7.159 84 2HB GLN 12 1HB GLN 12 21.278 22.798 -7.632 85 1HG GLN 12 2HG GLN 12 21.756 23.362 -5.310 86 2HG GLN 12 1HG GLN 12 20.209 22.690 -4.796 87 1HE2 GLN 12 1HE2 GLN 12 22.587 21.641 -3.691 88 2HE2 GLN 12 2HE2 GLN 12 22.838 20.072 -4.286 89 H ALA 13 H ALA 13 17.607 23.406 -8.256 90 HA ALA 13 HA ALA 13 18.531 23.910 -10.947 91 1HB ALA 13 2HB ALA 13 16.498 22.443 -9.929 92 2HB ALA 13 1HB ALA 13 15.608 23.889 -10.404 93 3HB ALA 13 3HB ALA 13 16.535 22.990 -11.606 94 H PHE 14 H PHE 14 17.013 25.848 -8.492 95 HA PHE 14 HA PHE 14 16.192 27.941 -10.392 96 1HB PHE 14 2HB PHE 14 16.215 27.879 -7.359 97 2HB PHE 14 1HB PHE 14 15.531 29.178 -8.337 98 HD1 PHE 14 HD1 PHE 14 15.163 25.660 -7.291 99 HD2 PHE 14 HD2 PHE 14 13.469 28.866 -9.594 100 HE1 PHE 14 HE1 PHE 14 13.042 24.392 -7.496 101 HE2 PHE 14 HE2 PHE 14 11.348 27.598 -9.798 102 HZ PHE 14 HZ PHE 14 11.134 25.361 -8.749 103 H MET 15 H MET 15 19.118 26.980 -9.399 104 HA MET 15 HA MET 15 20.250 29.544 -8.564 105 1HB MET 15 2HB MET 15 21.125 26.789 -8.724 106 2HB MET 15 1HB MET 15 22.321 27.854 -9.464 107 1HG MET 15 2HG MET 15 22.145 29.309 -7.388 108 2HG MET 15 1HG MET 15 21.188 28.020 -6.659 109 1HE MET 15 2HE MET 15 24.076 29.629 -7.451 110 2HE MET 15 1HE MET 15 25.283 28.850 -6.431 111 3HE MET 15 3HE MET 15 25.213 28.485 -8.160 112 H LYS 16 H LYS 16 21.018 31.104 -9.931 113 HA LYS 16 HA LYS 16 21.556 30.338 -12.766 114 1HB LYS 16 2HB LYS 16 19.254 31.428 -12.371 115 2HB LYS 16 1HB LYS 16 20.151 32.906 -12.024 116 1HG LYS 16 2HG LYS 16 21.270 32.703 -14.245 117 2HG LYS 16 1HG LYS 16 20.272 31.290 -14.588 118 1HD LYS 16 2HD LYS 16 18.239 32.646 -14.374 119 2HD LYS 16 1HD LYS 16 19.207 34.061 -13.959 120 1HE LYS 16 2HE LYS 16 20.258 32.960 -16.376 121 2HE LYS 16 1HE LYS 16 18.510 33.099 -16.561 122 1HZ LYS 16 3HZ LYS 16 20.132 35.310 -15.460 123 2HZ LYS 16 2HZ LYS 16 19.911 35.120 -17.134 124 3HZ LYS 16 1HZ LYS 16 18.571 35.373 -16.121 125 H ASN 17 H ASN 17 23.188 31.582 -13.775 126 HA ASN 17 HA ASN 17 25.255 32.709 -13.745 127 1HB ASN 17 2HB ASN 17 23.565 34.660 -12.151 128 2HB ASN 17 1HB ASN 17 25.084 35.041 -12.963 129 1HD2 ASN 17 1HD2 ASN 17 24.617 33.471 -15.362 130 2HD2 ASN 17 2HD2 ASN 17 23.360 34.215 -16.226 131 H GLY 18 H GLY 18 24.713 30.826 -11.488 132 1HA GLY 18 1HA GLY 18 26.975 31.612 -9.829 133 2HA GLY 18 2HA GLY 18 26.003 30.153 -9.627 134 H LYS 19 H LYS 19 23.537 31.950 -9.681 135 HA LYS 19 HA LYS 19 23.761 32.906 -6.855 136 1HB LYS 19 2HB LYS 19 23.539 34.691 -8.704 137 2HB LYS 19 1HB LYS 19 21.894 34.088 -8.912 138 1HG LYS 19 2HG LYS 19 22.213 34.389 -6.138 139 2HG LYS 19 1HG LYS 19 22.962 35.823 -6.841 140 1HD LYS 19 2HD LYS 19 20.745 35.736 -8.356 141 2HD LYS 19 1HD LYS 19 20.117 34.939 -6.914 142 1HE LYS 19 2HE LYS 19 20.314 36.830 -5.617 143 2HE LYS 19 1HE LYS 19 21.727 37.412 -6.496 144 1HZ LYS 19 1HZ LYS 19 19.079 37.313 -7.791 145 2HZ LYS 19 3HZ LYS 19 19.509 38.625 -6.807 146 3HZ LYS 19 2HZ LYS 19 20.427 38.267 -8.191 147 H LEU 20 H LEU 20 21.835 32.589 -5.565 148 HA LEU 20 HA LEU 20 20.118 30.392 -6.617 149 1HB LEU 20 2HB LEU 20 21.206 29.868 -4.510 150 2HB LEU 20 1HB LEU 20 20.637 31.376 -3.795 151 HG LEU 20 HG LEU 20 18.259 30.499 -4.358 152 1HD1 LEU 20 2HD1 LEU 20 19.858 28.383 -5.389 153 2HD1 LEU 20 1HD1 LEU 20 18.993 27.754 -3.987 154 3HD1 LEU 20 3HD1 LEU 20 18.098 28.477 -5.325 155 1HD2 LEU 20 3HD2 LEU 20 19.268 30.661 -2.069 156 2HD2 LEU 20 2HD2 LEU 20 18.144 29.310 -2.238 157 3HD2 LEU 20 1HD2 LEU 20 19.885 29.021 -2.269 158 H PHE 21 H PHE 21 18.428 31.379 -7.696 159 HA PHE 21 HA PHE 21 17.169 33.804 -6.647 160 1HB PHE 21 2HB PHE 21 16.574 31.961 -8.967 161 2HB PHE 21 1HB PHE 21 15.501 33.293 -8.535 162 HD1 PHE 21 HD1 PHE 21 19.087 32.528 -9.306 163 HD2 PHE 21 HD2 PHE 21 15.954 35.467 -9.298 164 HE1 PHE 21 HE1 PHE 21 20.571 34.114 -10.502 165 HE2 PHE 21 HE2 PHE 21 17.439 37.053 -10.493 166 HZ PHE 21 HZ PHE 21 19.748 36.377 -11.095 167 H CYS 22 H CYS 22 15.997 33.538 -4.795 168 HA CYS 22 HA CYS 22 14.309 31.096 -4.538 169 1HB CYS 22 2HB CYS 22 15.123 33.123 -2.435 170 2HB CYS 22 1HB CYS 22 14.242 31.623 -2.142 171 HA PRO 23 HA PRO 23 11.193 34.389 -5.544 172 1HB PRO 23 2HB PRO 23 9.610 32.753 -6.998 173 2HB PRO 23 1HB PRO 23 10.997 33.599 -7.687 174 1HG PRO 23 2HG PRO 23 10.769 30.759 -6.773 175 2HG PRO 23 1HG PRO 23 11.560 31.403 -8.214 176 1HD PRO 23 2HD PRO 23 12.939 30.692 -5.991 177 2HD PRO 23 1HD PRO 23 13.469 31.990 -7.061 178 H GLN 24 H GLN 24 8.655 34.025 -5.310 179 HA GLN 24 HA GLN 24 8.208 33.031 -2.633 180 1HB GLN 24 2HB GLN 24 6.322 33.931 -4.825 181 2HB GLN 24 1HB GLN 24 5.768 33.434 -3.226 182 1HG GLN 24 2HG GLN 24 7.263 35.164 -2.219 183 2HG GLN 24 1HG GLN 24 7.684 35.703 -3.845 184 1HE2 GLN 24 1HE2 GLN 24 6.411 37.521 -2.098 185 2HE2 GLN 24 2HE2 GLN 24 4.824 37.798 -2.635 186 H ASP 25 H ASP 25 7.568 31.009 -2.000 187 HA ASP 25 HA ASP 25 7.569 28.847 -3.921 188 1HB ASP 25 2HB ASP 25 6.750 28.941 -1.003 189 2HB ASP 25 1HB ASP 25 6.884 27.458 -1.948 190 H LYS 26 H LYS 26 5.821 27.722 -4.790 191 HA LYS 26 HA LYS 26 3.325 29.115 -5.052 192 1HB LYS 26 2HB LYS 26 4.003 26.215 -5.629 193 2HB LYS 26 1HB LYS 26 2.544 27.043 -6.173 194 1HG LYS 26 2HG LYS 26 3.960 28.684 -7.391 195 2HG LYS 26 1HG LYS 26 5.396 27.792 -6.890 196 1HD LYS 26 2HD LYS 26 4.471 25.762 -8.022 197 2HD LYS 26 1HD LYS 26 3.126 26.741 -8.607 198 1HE LYS 26 2HE LYS 26 5.135 26.426 -10.198 199 2HE LYS 26 1HE LYS 26 4.540 28.070 -9.968 200 1HZ LYS 26 1HZ LYS 26 6.626 27.062 -8.171 201 2HZ LYS 26 3HZ LYS 26 7.068 27.519 -9.743 202 3HZ LYS 26 2HZ LYS 26 6.333 28.647 -8.706 203 H LYS 27 H LYS 27 4.462 26.599 -2.878 204 HA LYS 27 HA LYS 27 1.859 26.815 -1.426 205 1HB LYS 27 2HB LYS 27 1.956 24.427 -0.909 206 2HB LYS 27 1HB LYS 27 1.996 24.652 -2.658 207 1HG LYS 27 2HG LYS 27 4.672 24.722 -1.513 208 2HG LYS 27 1HG LYS 27 3.845 23.212 -1.130 209 1HD LYS 27 2HD LYS 27 3.208 23.691 -3.810 210 2HD LYS 27 1HD LYS 27 4.910 24.134 -3.680 211 1HE LYS 27 2HE LYS 27 3.605 21.484 -3.068 212 2HE LYS 27 1HE LYS 27 4.971 21.816 -4.132 213 1HZ LYS 27 1HZ LYS 27 6.039 22.670 -1.936 214 2HZ LYS 27 3HZ LYS 27 4.892 21.659 -1.202 215 3HZ LYS 27 2HZ LYS 27 6.025 21.008 -2.288 216 HA PRO 28 HA PRO 28 4.303 27.595 2.181 217 1HB PRO 28 2HB PRO 28 2.819 26.437 4.116 218 2HB PRO 28 1HB PRO 28 2.341 27.931 3.306 219 1HG PRO 28 2HG PRO 28 1.413 25.128 2.821 220 2HG PRO 28 1HG PRO 28 0.468 26.619 2.877 221 1HD PRO 28 2HD PRO 28 1.203 25.446 0.543 222 2HD PRO 28 1HD PRO 28 1.004 27.191 0.707 223 H ILE 29 H ILE 29 6.143 26.620 2.881 224 HA ILE 29 HA ILE 29 6.138 23.639 3.128 225 HB ILE 29 HB ILE 29 7.722 24.151 1.465 226 1HG1 ILE 29 2HG1 ILE 29 8.604 22.915 3.605 227 2HG1 ILE 29 1HG1 ILE 29 9.750 23.429 2.369 228 1HG2 ILE 29 1HG2 ILE 29 8.065 26.642 3.055 229 2HG2 ILE 29 3HG2 ILE 29 9.480 26.066 2.173 230 3HG2 ILE 29 2HG2 ILE 29 7.985 26.422 1.307 231 1HD1 ILE 29 3HD1 ILE 29 9.180 25.498 4.384 232 2HD1 ILE 29 2HD1 ILE 29 9.940 24.051 5.043 233 3HD1 ILE 29 1HD1 ILE 29 10.729 24.944 3.747 234 H GLN 30 H GLN 30 6.911 22.744 5.065 235 HA GLN 30 HA GLN 30 6.905 24.536 7.374 236 1HB GLN 30 2HB GLN 30 7.229 21.552 7.037 237 2HB GLN 30 1HB GLN 30 7.400 22.339 8.607 238 1HG GLN 30 2HG GLN 30 5.128 23.363 8.258 239 2HG GLN 30 1HG GLN 30 4.965 22.387 6.800 240 1HE2 GLN 30 1HE2 GLN 30 3.111 21.949 8.832 241 2HE2 GLN 30 2HE2 GLN 30 3.420 20.465 9.596 242 H SER 31 H SER 31 8.699 25.675 7.872 243 HA SER 31 HA SER 31 11.348 24.827 6.979 244 1HB SER 31 2HB SER 31 10.463 27.116 8.764 245 2HB SER 31 1HB SER 31 12.099 26.897 8.139 246 HG SER 31 HG SER 31 10.005 26.818 6.313 247 H LEU 32 H LEU 32 13.166 24.499 8.495 248 HA LEU 32 HA LEU 32 12.257 23.383 11.121 249 1HB LEU 32 2HB LEU 32 14.594 22.396 9.464 250 2HB LEU 32 1HB LEU 32 13.957 21.667 10.935 251 HG LEU 32 HG LEU 32 11.746 21.399 9.679 252 1HD1 LEU 32 2HD1 LEU 32 13.537 22.470 7.543 253 2HD1 LEU 32 1HD1 LEU 32 12.419 21.182 7.093 254 3HD1 LEU 32 3HD1 LEU 32 11.802 22.688 7.765 255 1HD2 LEU 32 1HD2 LEU 32 13.526 19.609 10.096 256 2HD2 LEU 32 3HD2 LEU 32 12.440 19.312 8.738 257 3HD2 LEU 32 2HD2 LEU 32 14.074 19.910 8.445 258 H ASP 33 H ASP 33 14.132 25.735 9.619 259 HA ASP 33 HA ASP 33 16.323 25.764 11.561 260 1HB ASP 33 2HB ASP 33 15.424 27.693 9.411 261 2HB ASP 33 1HB ASP 33 16.794 28.019 10.472 262 H GLY 34 H GLY 34 13.203 26.292 12.062 263 1HA GLY 34 1HA GLY 34 13.692 28.603 13.894 264 2HA GLY 34 2HA GLY 34 12.627 27.255 14.299 265 H ILE 35 H ILE 35 12.676 28.396 11.035 266 HA ILE 35 HA ILE 35 10.437 30.254 11.377 267 HB ILE 35 HB ILE 35 11.437 29.086 8.768 268 1HG1 ILE 35 2HG1 ILE 35 12.495 31.687 9.766 269 2HG1 ILE 35 1HG1 ILE 35 13.157 30.227 10.501 270 1HG2 ILE 35 3HG2 ILE 35 9.785 31.416 9.644 271 2HG2 ILE 35 2HG2 ILE 35 10.822 31.630 8.234 272 3HG2 ILE 35 1HG2 ILE 35 9.590 30.368 8.239 273 1HD1 ILE 35 1HD1 ILE 35 12.924 30.452 7.504 274 2HD1 ILE 35 3HD1 ILE 35 14.297 31.170 8.346 275 3HD1 ILE 35 2HD1 ILE 35 14.006 29.434 8.455 276 H MET 36 H MET 36 8.405 29.854 10.021 277 HA MET 36 HA MET 36 7.711 26.945 10.031 278 1HB MET 36 2HB MET 36 6.263 29.294 11.202 279 2HB MET 36 1HB MET 36 5.315 27.961 10.543 280 1HG MET 36 2HG MET 36 6.718 26.396 11.957 281 2HG MET 36 1HG MET 36 7.408 27.823 12.730 282 1HE MET 36 1HE MET 36 5.649 29.821 12.899 283 2HE MET 36 3HE MET 36 4.090 29.377 12.190 284 3HE MET 36 2HE MET 36 4.222 29.672 13.921 285 H PHE 37 H PHE 37 8.665 28.266 7.763 286 HA PHE 37 HA PHE 37 6.640 27.717 5.844 287 1HB PHE 37 2HB PHE 37 5.466 29.666 6.558 288 2HB PHE 37 1HB PHE 37 6.950 30.611 6.660 289 HD1 PHE 37 HD1 PHE 37 6.398 28.275 3.881 290 HD2 PHE 37 HD2 PHE 37 6.073 32.360 5.168 291 HE1 PHE 37 HE1 PHE 37 6.107 28.993 1.526 292 HE2 PHE 37 HE2 PHE 37 5.781 33.079 2.813 293 HZ PHE 37 HZ PHE 37 5.797 31.396 0.992 294 H ILE 38 H ILE 38 8.519 30.643 5.437 295 HA ILE 38 HA ILE 38 9.982 29.507 3.219 296 HB ILE 38 HB ILE 38 11.036 31.653 3.044 297 1HG1 ILE 38 2HG1 ILE 38 10.046 32.263 5.843 298 2HG1 ILE 38 1HG1 ILE 38 11.689 31.735 5.483 299 1HG2 ILE 38 1HG2 ILE 38 8.303 31.342 3.128 300 2HG2 ILE 38 3HG2 ILE 38 8.552 32.687 4.240 301 3HG2 ILE 38 2HG2 ILE 38 9.131 32.799 2.578 302 1HD1 ILE 38 2HD1 ILE 38 11.833 33.689 3.858 303 2HD1 ILE 38 1HD1 ILE 38 10.315 34.265 4.548 304 3HD1 ILE 38 3HD1 ILE 38 11.751 34.132 5.563 305 H ASN 39 H ASN 39 12.108 28.769 3.155 306 HA ASN 39 HA ASN 39 14.091 29.153 5.123 307 1HB ASN 39 2HB ASN 39 12.660 27.987 6.689 308 2HB ASN 39 1HB ASN 39 12.420 26.661 5.551 309 1HD2 ASN 39 1HD2 ASN 39 13.545 24.920 6.487 310 2HD2 ASN 39 2HD2 ASN 39 15.160 24.991 7.008 311 H LYS 40 H LYS 40 12.683 27.073 2.654 312 HA LYS 40 HA LYS 40 14.759 25.307 2.098 313 1HB LYS 40 2HB LYS 40 13.209 26.906 0.033 314 2HB LYS 40 1HB LYS 40 14.057 25.387 -0.257 315 1HG LYS 40 2HG LYS 40 12.575 24.317 1.479 316 2HG LYS 40 1HG LYS 40 11.654 25.820 1.540 317 1HD LYS 40 2HD LYS 40 11.164 25.625 -0.870 318 2HD LYS 40 1HD LYS 40 12.096 24.129 -0.942 319 1HE LYS 40 2HE LYS 40 10.554 23.082 0.671 320 2HE LYS 40 1HE LYS 40 9.628 24.580 0.766 321 1HZ LYS 40 1HZ LYS 40 9.666 24.198 -1.860 322 2HZ LYS 40 3HZ LYS 40 9.717 22.584 -1.343 323 3HZ LYS 40 2HZ LYS 40 8.441 23.591 -0.850 324 H CYS 41 H CYS 41 14.489 28.712 1.174 325 HA CYS 41 HA CYS 41 17.076 28.803 -0.144 326 1HB CYS 41 2HB CYS 41 15.046 30.423 -0.377 327 2HB CYS 41 1HB CYS 41 15.682 31.178 1.080 328 H ALA 42 H ALA 42 15.815 29.743 3.030 329 HA ALA 42 HA ALA 42 18.239 30.769 4.118 330 1HB ALA 42 1HB ALA 42 16.532 29.340 6.030 331 2HB ALA 42 2HB ALA 42 15.645 30.473 5.010 332 3HB ALA 42 3HB ALA 42 16.996 31.041 5.991 333 H THR 43 H THR 43 17.089 27.475 3.677 334 HA THR 43 HA THR 43 19.413 26.475 5.256 335 HB THR 43 HB THR 43 17.529 24.510 4.122 336 HG1 THR 43 HG1 THR 43 15.802 25.439 4.817 337 1HG2 THR 43 3HG2 THR 43 19.409 24.611 6.139 338 2HG2 THR 43 2HG2 THR 43 17.890 24.721 7.026 339 3HG2 THR 43 1HG2 THR 43 18.187 23.353 5.953 340 H CYS 44 H CYS 44 18.066 26.599 2.014 341 HA CYS 44 HA CYS 44 19.982 24.656 0.957 342 1HB CYS 44 2HB CYS 44 17.779 24.951 -0.114 343 2HB CYS 44 1HB CYS 44 18.191 26.624 -0.494 344 H LYS 45 H LYS 45 19.794 28.149 1.318 345 HA LYS 45 HA LYS 45 21.867 28.825 -0.531 346 1HB LYS 45 2HB LYS 45 20.325 30.471 0.572 347 2HB LYS 45 1HB LYS 45 21.213 30.230 2.077 348 1HG LYS 45 2HG LYS 45 23.286 30.986 0.988 349 2HG LYS 45 1HG LYS 45 22.420 31.194 -0.534 350 1HD LYS 45 2HD LYS 45 22.499 33.365 0.454 351 2HD LYS 45 1HD LYS 45 20.862 32.776 0.739 352 1HE LYS 45 2HE LYS 45 21.224 32.456 3.004 353 2HE LYS 45 1HE LYS 45 22.954 32.184 2.795 354 1HZ LYS 45 1HZ LYS 45 22.552 34.741 1.926 355 2HZ LYS 45 3HZ LYS 45 21.549 34.620 3.288 356 3HZ LYS 45 2HZ LYS 45 23.208 34.283 3.425 357 H MET 46 H MET 46 21.964 27.968 2.924 358 HA MET 46 HA MET 46 24.882 28.170 3.018 359 1HB MET 46 2HB MET 46 22.878 26.998 4.972 360 2HB MET 46 1HB MET 46 24.601 27.185 5.297 361 1HG MET 46 2HG MET 46 24.387 29.630 4.919 362 2HG MET 46 1HG MET 46 22.655 29.424 4.654 363 1HE MET 46 1HE MET 46 25.545 28.571 6.596 364 2HE MET 46 3HE MET 46 25.315 29.485 8.093 365 3HE MET 46 2HE MET 46 24.910 27.771 8.032 366 H ILE 47 H ILE 47 22.485 25.680 2.444 367 HA ILE 47 HA ILE 47 24.473 23.513 2.640 368 HB ILE 47 HB ILE 47 21.569 23.499 1.759 369 1HG1 ILE 47 2HG1 ILE 47 22.799 22.512 4.344 370 2HG1 ILE 47 1HG1 ILE 47 22.075 24.111 4.168 371 1HG2 ILE 47 1HG2 ILE 47 23.093 21.638 0.883 372 2HG2 ILE 47 3HG2 ILE 47 23.281 21.140 2.565 373 3HG2 ILE 47 2HG2 ILE 47 21.687 21.116 1.811 374 1HD1 ILE 47 2HD1 ILE 47 20.081 22.619 3.136 375 2HD1 ILE 47 1HD1 ILE 47 20.772 21.436 4.246 376 3HD1 ILE 47 3HD1 ILE 47 20.195 22.986 4.857 377 H LEU 48 H LEU 48 23.229 25.669 0.270 378 HA LEU 48 HA LEU 48 23.939 23.941 -2.011 379 1HB LEU 48 2HB LEU 48 21.976 25.464 -2.126 380 2HB LEU 48 1HB LEU 48 23.052 26.844 -1.929 381 HG LEU 48 HG LEU 48 24.050 26.519 -4.045 382 1HD1 LEU 48 1HD1 LEU 48 22.913 23.729 -3.844 383 2HD1 LEU 48 3HD1 LEU 48 23.444 24.397 -5.388 384 3HD1 LEU 48 2HD1 LEU 48 24.594 24.214 -4.064 385 1HD2 LEU 48 2HD2 LEU 48 21.092 26.026 -3.998 386 2HD2 LEU 48 1HD2 LEU 48 21.984 27.424 -4.602 387 3HD2 LEU 48 3HD2 LEU 48 21.939 25.933 -5.543 388 H GLU 49 H GLU 49 25.520 26.067 0.097 389 HA GLU 49 HA GLU 49 27.546 26.887 -1.905 390 1HB GLU 49 2HB GLU 49 27.082 27.571 1.005 391 2HB GLU 49 1HB GLU 49 28.550 28.050 0.151 392 1HG GLU 49 2HG GLU 49 27.187 29.230 -1.534 393 2HG GLU 49 1HG GLU 49 25.717 28.740 -0.693 394 H LYS 50 H LYS 50 27.085 24.703 0.807 395 HA LYS 50 HA LYS 50 29.815 24.002 1.261 396 1HB LYS 50 2HB LYS 50 27.292 22.343 1.562 397 2HB LYS 50 1HB LYS 50 28.872 21.886 2.199 398 1HG LYS 50 2HG LYS 50 28.916 23.981 3.534 399 2HG LYS 50 1HG LYS 50 27.309 24.383 2.929 400 1HD LYS 50 2HD LYS 50 26.444 22.261 3.903 401 2HD LYS 50 1HD LYS 50 28.045 21.937 4.567 402 1HE LYS 50 2HE LYS 50 27.706 24.422 5.524 403 2HE LYS 50 1HE LYS 50 26.011 23.950 5.407 404 1HZ LYS 50 3HZ LYS 50 26.681 21.865 6.611 405 2HZ LYS 50 2HZ LYS 50 28.172 22.614 6.929 406 3HZ LYS 50 1HZ LYS 50 26.734 23.290 7.529 407 H GLU 51 H GLU 51 27.424 22.848 -1.082 408 HA GLU 51 HA GLU 51 28.889 20.623 -2.085 409 1HB GLU 51 2HB GLU 51 26.978 22.499 -3.514 410 2HB GLU 51 1HB GLU 51 27.546 20.962 -4.166 411 1HG GLU 51 2HG GLU 51 26.621 19.828 -2.123 412 2HG GLU 51 1HG GLU 51 25.930 21.374 -1.634 413 H ALA 52 H ALA 52 29.115 24.081 -2.754 414 HA ALA 52 HA ALA 52 30.808 23.908 -5.055 415 1HB ALA 52 1HB ALA 52 31.408 26.237 -4.541 416 2HB ALA 52 3HB ALA 52 29.672 25.998 -4.349 417 3HB ALA 52 2HB ALA 52 30.713 26.071 -2.928 418 H LYS 53 H LYS 53 31.414 23.541 -1.636 419 HA LYS 53 HA LYS 53 34.247 23.976 -1.667 420 1HB LYS 53 2HB LYS 53 32.548 22.210 0.122 421 2HB LYS 53 1HB LYS 53 34.237 22.616 0.428 422 1HG LYS 53 2HG LYS 53 33.617 25.033 0.429 423 2HG LYS 53 1HG LYS 53 31.926 24.572 0.232 424 1HD LYS 53 2HD LYS 53 32.097 23.241 2.346 425 2HD LYS 53 1HD LYS 53 33.736 23.855 2.559 426 1HE LYS 53 2HE LYS 53 32.795 26.188 2.479 427 2HE LYS 53 1HE LYS 53 31.179 25.482 2.469 428 1HZ LYS 53 3HZ LYS 53 32.383 24.213 4.528 429 2HZ LYS 53 2HZ LYS 53 33.041 25.775 4.641 430 3HZ LYS 53 1HZ LYS 53 31.357 25.554 4.677 431 H SER 54 H SER 54 32.231 21.203 -2.472 432 HA SER 54 HA SER 54 34.242 19.192 -2.496 433 1HB SER 54 2HB SER 54 32.748 17.945 -3.945 434 2HB SER 54 1HB SER 54 31.770 18.799 -2.752 435 HG SER 54 HG SER 54 30.784 19.495 -4.474 436 H GLN 55 H GLN 55 33.510 21.772 -4.748 437 HA GLN 55 HA GLN 55 35.155 20.663 -6.895 438 1HB GLN 55 2HB GLN 55 33.227 22.207 -7.310 439 2HB GLN 55 1HB GLN 55 34.143 23.499 -6.533 440 1HG GLN 55 2HG GLN 55 35.931 23.252 -8.206 441 2HG GLN 55 1HG GLN 55 35.041 21.936 -8.974 442 1HE2 GLN 55 1HE2 GLN 55 35.575 24.087 -10.608 443 2HE2 GLN 55 2HE2 GLN 55 34.179 25.019 -10.859 No H/Q in entry = 443 Start of MODEL 8 1 H1 LYS 1 1H LYS 1 -9.913 -0.487 -4.946 2 H2 LYS 1 3H LYS 1 -9.996 -1.531 -3.612 3 H3 LYS 1 2H LYS 1 -9.294 -2.065 -5.063 4 HA LYS 1 HA LYS 1 -11.471 -3.013 -4.884 5 1HB LYS 1 2HB LYS 1 -12.338 -0.122 -4.573 6 2HB LYS 1 1HB LYS 1 -13.440 -1.481 -4.792 7 1HG LYS 1 2HG LYS 1 -12.485 -2.531 -2.735 8 2HG LYS 1 1HG LYS 1 -11.494 -1.091 -2.497 9 1HD LYS 1 2HD LYS 1 -13.592 0.279 -2.454 10 2HD LYS 1 1HD LYS 1 -14.525 -1.216 -2.539 11 1HE LYS 1 2HE LYS 1 -13.179 -1.958 -0.465 12 2HE LYS 1 1HE LYS 1 -12.714 -0.263 -0.318 13 1HZ LYS 1 1HZ LYS 1 -15.480 -0.415 -0.772 14 2HZ LYS 1 3HZ LYS 1 -15.091 -1.465 0.502 15 3HZ LYS 1 2HZ LYS 1 -14.663 0.176 0.595 16 H ASN 2 H ASN 2 -13.278 -2.621 -6.679 17 HA ASN 2 HA ASN 2 -12.090 -2.687 -9.201 18 1HB ASN 2 2HB ASN 2 -14.864 -1.652 -8.537 19 2HB ASN 2 1HB ASN 2 -14.329 -2.203 -10.124 20 1HD2 ASN 2 1HD2 ASN 2 -12.861 -4.511 -9.441 21 2HD2 ASN 2 2HD2 ASN 2 -13.896 -5.649 -8.724 22 H GLU 3 H GLU 3 -13.065 0.125 -7.322 23 HA GLU 3 HA GLU 3 -13.043 2.122 -9.299 24 1HB GLU 3 2HB GLU 3 -13.608 2.495 -6.896 25 2HB GLU 3 1HB GLU 3 -11.895 2.360 -6.501 26 1HG GLU 3 2HG GLU 3 -11.454 4.248 -8.112 27 2HG GLU 3 1HG GLU 3 -13.200 4.443 -8.275 28 H ASP 4 H ASP 4 -10.423 0.201 -8.116 29 HA ASP 4 HA ASP 4 -8.279 2.013 -8.811 30 1HB ASP 4 2HB ASP 4 -6.842 0.003 -8.643 31 2HB ASP 4 1HB ASP 4 -7.928 0.135 -7.259 32 H GLN 5 H GLN 5 -10.278 -0.197 -10.616 33 HA GLN 5 HA GLN 5 -8.558 -0.614 -12.864 34 1HB GLN 5 2HB GLN 5 -11.584 -0.521 -12.682 35 2HB GLN 5 1HB GLN 5 -10.692 -1.076 -14.099 36 1HG GLN 5 2HG GLN 5 -9.628 -2.839 -12.760 37 2HG GLN 5 1HG GLN 5 -10.464 -2.267 -11.317 38 1HE2 GLN 5 1HE2 GLN 5 -10.853 -4.935 -12.289 39 2HE2 GLN 5 2HE2 GLN 5 -12.449 -5.074 -12.852 40 H GLU 6 H GLU 6 -10.627 2.065 -11.925 41 HA GLU 6 HA GLU 6 -10.629 3.380 -14.495 42 1HB GLU 6 2HB GLU 6 -11.029 4.478 -11.696 43 2HB GLU 6 1HB GLU 6 -11.328 5.385 -13.178 44 1HG GLU 6 2HG GLU 6 -12.678 2.771 -12.434 45 2HG GLU 6 1HG GLU 6 -13.410 4.368 -12.279 46 H MET 7 H MET 7 -8.447 3.395 -11.726 47 HA MET 7 HA MET 7 -6.909 5.688 -12.541 48 1HB MET 7 2HB MET 7 -6.123 3.298 -10.844 49 2HB MET 7 1HB MET 7 -5.187 4.786 -10.989 50 1HG MET 7 2HG MET 7 -6.998 6.086 -10.033 51 2HG MET 7 1HG MET 7 -8.066 4.683 -10.045 52 1HE MET 7 2HE MET 7 -8.097 6.203 -7.909 53 2HE MET 7 1HE MET 7 -8.455 4.714 -7.039 54 3HE MET 7 3HE MET 7 -7.209 5.816 -6.438 55 H CYS 8 H CYS 8 -6.931 2.334 -13.517 56 HA CYS 8 HA CYS 8 -4.297 2.332 -14.721 57 1HB CYS 8 2HB CYS 8 -6.709 0.596 -15.333 58 2HB CYS 8 1HB CYS 8 -5.048 0.264 -15.826 59 H HIS 9 H HIS 9 -7.466 3.391 -15.733 60 HA HIS 9 HA HIS 9 -7.165 3.395 -18.538 61 1HB HIS 9 2HB HIS 9 -9.291 4.029 -17.687 62 2HB HIS 9 1HB HIS 9 -8.595 5.269 -16.645 63 HD1 HIS 9 HD1 HIS 9 -7.311 7.270 -18.069 64 HD2 HIS 9 HD2 HIS 9 -10.205 5.052 -20.087 65 HE1 HIS 9 HE1 HIS 9 -7.966 8.630 -20.099 66 H GLU 10 H GLU 10 -6.250 5.956 -16.210 67 HA GLU 10 HA GLU 10 -4.988 7.610 -18.203 68 1HB GLU 10 2HB GLU 10 -4.639 7.505 -15.192 69 2HB GLU 10 1HB GLU 10 -3.976 8.767 -16.231 70 1HG GLU 10 2HG GLU 10 -6.281 9.284 -17.022 71 2HG GLU 10 1HG GLU 10 -6.912 8.077 -15.902 72 H PHE 11 H PHE 11 -3.788 5.073 -16.017 73 HA PHE 11 HA PHE 11 -1.012 5.517 -16.806 74 1HB PHE 11 2HB PHE 11 -2.227 4.217 -14.686 75 2HB PHE 11 1HB PHE 11 -1.640 2.880 -15.678 76 HD1 PHE 11 HD1 PHE 11 0.735 4.169 -16.946 77 HD2 PHE 11 HD2 PHE 11 -0.655 4.263 -12.882 78 HE1 PHE 11 HE1 PHE 11 3.044 4.612 -16.162 79 HE2 PHE 11 HE2 PHE 11 1.639 4.717 -12.105 80 HZ PHE 11 HZ PHE 11 3.499 4.887 -13.739 81 H GLN 12 H GLN 12 -3.695 3.938 -18.189 82 HA GLN 12 HA GLN 12 -2.296 1.800 -19.542 83 1HB GLN 12 2HB GLN 12 -4.786 1.885 -19.221 84 2HB GLN 12 1HB GLN 12 -4.848 3.198 -20.397 85 1HG GLN 12 2HG GLN 12 -3.780 1.709 -22.078 86 2HG GLN 12 1HG GLN 12 -3.802 0.395 -20.902 87 1HE2 GLN 12 1HE2 GLN 12 -5.207 -0.137 -23.188 88 2HE2 GLN 12 2HE2 GLN 12 -6.880 -0.007 -22.931 89 H ALA 13 H ALA 13 -2.590 5.209 -20.060 90 HA ALA 13 HA ALA 13 -2.000 5.197 -22.896 91 1HB ALA 13 2HB ALA 13 -1.174 7.635 -22.184 92 2HB ALA 13 1HB ALA 13 -2.890 7.241 -22.275 93 3HB ALA 13 3HB ALA 13 -2.068 7.244 -20.715 94 H PHE 14 H PHE 14 -0.099 5.059 -19.960 95 HA PHE 14 HA PHE 14 2.424 5.584 -21.380 96 1HB PHE 14 2HB PHE 14 1.868 4.686 -18.535 97 2HB PHE 14 1HB PHE 14 3.458 5.114 -19.166 98 HD1 PHE 14 HD1 PHE 14 3.986 7.437 -19.791 99 HD2 PHE 14 HD2 PHE 14 0.180 6.379 -18.106 100 HE1 PHE 14 HE1 PHE 14 3.521 9.831 -19.339 101 HE2 PHE 14 HE2 PHE 14 -0.285 8.772 -17.654 102 HZ PHE 14 HZ PHE 14 1.385 10.498 -18.271 103 H MET 15 H MET 15 0.451 3.100 -21.638 104 HA MET 15 HA MET 15 2.231 0.874 -20.988 105 1HB MET 15 2HB MET 15 -0.500 1.212 -22.081 106 2HB MET 15 1HB MET 15 0.373 -0.201 -22.670 107 1HG MET 15 2HG MET 15 0.849 -0.856 -20.314 108 2HG MET 15 1HG MET 15 -0.098 0.527 -19.762 109 1HE MET 15 3HE MET 15 0.237 -2.828 -20.722 110 2HE MET 15 2HE MET 15 -1.353 -3.554 -20.946 111 3HE MET 15 1HE MET 15 -0.573 -2.726 -22.292 112 H LYS 16 H LYS 16 3.401 -0.384 -22.502 113 HA LYS 16 HA LYS 16 3.433 0.565 -25.319 114 1HB LYS 16 2HB LYS 16 5.253 1.737 -23.983 115 2HB LYS 16 1HB LYS 16 5.988 0.150 -23.747 116 1HG LYS 16 2HG LYS 16 6.083 -0.151 -26.210 117 2HG LYS 16 1HG LYS 16 5.398 1.460 -26.422 118 1HD LYS 16 2HD LYS 16 7.330 2.431 -25.218 119 2HD LYS 16 1HD LYS 16 8.020 0.818 -25.037 120 1HE LYS 16 2HE LYS 16 7.691 0.743 -27.668 121 2HE LYS 16 1HE LYS 16 7.742 2.498 -27.503 122 1HZ LYS 16 3HZ LYS 16 9.800 1.790 -25.974 123 2HZ LYS 16 2HZ LYS 16 9.844 0.537 -27.120 124 3HZ LYS 16 1HZ LYS 16 9.944 2.157 -27.624 125 H ASN 17 H ASN 17 3.437 -1.165 -26.675 126 HA ASN 17 HA ASN 17 3.595 -3.387 -27.410 127 1HB ASN 17 2HB ASN 17 6.040 -2.818 -26.651 128 2HB ASN 17 1HB ASN 17 5.673 -3.879 -25.291 129 1HD2 ASN 17 1HD2 ASN 17 7.616 -4.935 -26.795 130 2HD2 ASN 17 2HD2 ASN 17 7.049 -6.133 -27.856 131 H GLY 18 H GLY 18 1.740 -2.696 -25.241 132 1HA GLY 18 1HA GLY 18 1.056 -5.391 -24.414 133 2HA GLY 18 2HA GLY 18 0.213 -3.920 -23.928 134 H LYS 19 H LYS 19 2.690 -2.659 -22.942 135 HA LYS 19 HA LYS 19 2.872 -4.142 -20.363 136 1HB LYS 19 2HB LYS 19 4.876 -4.569 -21.912 137 2HB LYS 19 1HB LYS 19 5.274 -2.867 -21.678 138 1HG LYS 19 2HG LYS 19 4.754 -3.858 -19.100 139 2HG LYS 19 1HG LYS 19 5.713 -5.111 -19.888 140 1HD LYS 19 2HD LYS 19 7.208 -3.115 -20.676 141 2HD LYS 19 1HD LYS 19 6.428 -2.235 -19.362 142 1HE LYS 19 2HE LYS 19 7.816 -4.909 -19.021 143 2HE LYS 19 1HE LYS 19 8.577 -3.353 -18.687 144 1HZ LYS 19 1HZ LYS 19 6.382 -3.045 -17.290 145 2HZ LYS 19 3HZ LYS 19 6.456 -4.738 -17.232 146 3HZ LYS 19 2HZ LYS 19 7.752 -3.812 -16.642 147 H LEU 20 H LEU 20 3.296 -2.746 -18.553 148 HA LEU 20 HA LEU 20 2.611 0.091 -19.108 149 1HB LEU 20 2HB LEU 20 1.254 -1.056 -17.414 150 2HB LEU 20 1HB LEU 20 2.708 -1.467 -16.504 151 HG LEU 20 HG LEU 20 3.189 1.023 -16.362 152 1HD1 LEU 20 2HD1 LEU 20 0.985 1.084 -18.160 153 2HD1 LEU 20 1HD1 LEU 20 0.462 1.868 -16.670 154 3HD1 LEU 20 3HD1 LEU 20 1.893 2.453 -17.518 155 1HD2 LEU 20 2HD2 LEU 20 0.913 -0.403 -15.059 156 2HD2 LEU 20 1HD2 LEU 20 2.384 0.253 -14.342 157 3HD2 LEU 20 3HD2 LEU 20 1.057 1.331 -14.773 158 H PHE 21 H PHE 21 4.409 1.320 -19.471 159 HA PHE 21 HA PHE 21 6.912 0.686 -18.013 160 1HB PHE 21 2HB PHE 21 6.231 2.462 -20.354 161 2HB PHE 21 1HB PHE 21 7.769 2.628 -19.507 162 HD1 PHE 21 HD1 PHE 21 5.660 0.372 -21.536 163 HD2 PHE 21 HD2 PHE 21 9.478 0.912 -19.643 164 HE1 PHE 21 HE1 PHE 21 6.554 -1.572 -22.787 165 HE2 PHE 21 HE2 PHE 21 10.373 -1.033 -20.894 166 HZ PHE 21 HZ PHE 21 8.911 -2.275 -22.466 167 H CYS 22 H CYS 22 7.037 1.594 -16.017 168 HA CYS 22 HA CYS 22 5.499 3.795 -15.097 169 1HB CYS 22 2HB CYS 22 7.287 2.018 -13.959 170 2HB CYS 22 1HB CYS 22 8.136 3.559 -13.830 171 HA PRO 23 HA PRO 23 7.572 7.157 -17.195 172 1HB PRO 23 2HB PRO 23 6.382 9.173 -15.848 173 2HB PRO 23 1HB PRO 23 5.562 8.249 -17.108 174 1HG PRO 23 2HG PRO 23 5.382 7.977 -14.133 175 2HG PRO 23 1HG PRO 23 4.090 7.918 -15.335 176 1HD PRO 23 2HD PRO 23 5.143 5.681 -14.223 177 2HD PRO 23 1HD PRO 23 4.517 5.714 -15.872 178 H GLN 24 H GLN 24 9.165 8.777 -16.693 179 HA GLN 24 HA GLN 24 10.856 8.175 -14.459 180 1HB GLN 24 2HB GLN 24 11.595 9.267 -16.608 181 2HB GLN 24 1HB GLN 24 10.803 10.746 -16.065 182 1HG GLN 24 2HG GLN 24 12.228 10.782 -14.056 183 2HG GLN 24 1HG GLN 24 13.010 9.289 -14.577 184 1HE2 GLN 24 1HE2 GLN 24 14.714 11.422 -14.253 185 2HE2 GLN 24 2HE2 GLN 24 15.184 12.061 -15.753 186 H ASP 25 H ASP 25 8.215 10.436 -14.913 187 HA ASP 25 HA ASP 25 8.771 11.664 -12.261 188 1HB ASP 25 2HB ASP 25 6.996 13.275 -12.896 189 2HB ASP 25 1HB ASP 25 8.271 13.207 -14.113 190 H LYS 26 H LYS 26 6.610 12.082 -10.980 191 HA LYS 26 HA LYS 26 4.970 9.581 -11.088 192 1HB LYS 26 2HB LYS 26 5.872 11.109 -8.626 193 2HB LYS 26 1HB LYS 26 4.824 9.690 -8.623 194 1HG LYS 26 2HG LYS 26 6.634 8.378 -9.706 195 2HG LYS 26 1HG LYS 26 7.682 9.796 -9.639 196 1HD LYS 26 2HD LYS 26 7.468 9.826 -7.173 197 2HD LYS 26 1HD LYS 26 6.443 8.394 -7.250 198 1HE LYS 26 2HE LYS 26 8.873 7.912 -6.738 199 2HE LYS 26 1HE LYS 26 8.245 7.065 -8.152 200 1HZ LYS 26 2HZ LYS 26 9.395 9.695 -8.621 201 2HZ LYS 26 1HZ LYS 26 10.488 8.468 -8.188 202 3HZ LYS 26 3HZ LYS 26 9.501 8.279 -9.554 203 H LYS 27 H LYS 27 2.761 9.884 -10.982 204 HA LYS 27 HA LYS 27 1.771 12.624 -11.252 205 1HB LYS 27 2HB LYS 27 0.242 10.009 -11.071 206 2HB LYS 27 1HB LYS 27 -0.414 11.561 -11.592 207 1HG LYS 27 2HG LYS 27 1.805 11.288 -13.209 208 2HG LYS 27 1HG LYS 27 1.227 9.627 -13.080 209 1HD LYS 27 2HD LYS 27 -0.559 11.972 -13.781 210 2HD LYS 27 1HD LYS 27 0.203 10.932 -14.984 211 1HE LYS 27 2HE LYS 27 -1.166 9.151 -14.507 212 2HE LYS 27 1HE LYS 27 -1.285 9.567 -12.798 213 1HZ LYS 27 1HZ LYS 27 -2.483 11.650 -14.096 214 2HZ LYS 27 3HZ LYS 27 -3.003 10.286 -14.961 215 3HZ LYS 27 2HZ LYS 27 -3.275 10.383 -13.287 216 HA PRO 28 HA PRO 28 1.024 13.203 -6.889 217 1HB PRO 28 2HB PRO 28 -0.585 15.365 -7.090 218 2HB PRO 28 1HB PRO 28 1.164 15.447 -7.315 219 1HG PRO 28 2HG PRO 28 -1.009 15.317 -9.373 220 2HG PRO 28 1HG PRO 28 0.434 16.334 -9.346 221 1HD PRO 28 1HD PRO 28 0.296 14.087 -10.839 222 2HD PRO 28 2HD PRO 28 1.805 14.631 -10.104 223 H ILE 29 H ILE 29 -0.328 11.080 -7.145 224 HA ILE 29 HA ILE 29 -3.179 11.789 -6.608 225 HB ILE 29 HB ILE 29 -2.731 10.730 -8.916 226 1HG1 ILE 29 2HG1 ILE 29 -4.957 10.834 -7.822 227 2HG1 ILE 29 1HG1 ILE 29 -4.755 9.352 -8.755 228 1HG2 ILE 29 1HG2 ILE 29 -1.097 9.042 -7.924 229 2HG2 ILE 29 3HG2 ILE 29 -2.500 8.209 -7.254 230 3HG2 ILE 29 2HG2 ILE 29 -2.321 8.369 -9.000 231 1HD1 ILE 29 3HD1 ILE 29 -3.815 8.477 -6.396 232 2HD1 ILE 29 2HD1 ILE 29 -4.904 9.731 -5.802 233 3HD1 ILE 29 1HD1 ILE 29 -5.532 8.418 -6.799 234 H GLN 30 H GLN 30 -3.839 11.023 -4.655 235 HA GLN 30 HA GLN 30 -2.064 9.274 -3.115 236 1HB GLN 30 2HB GLN 30 -4.812 10.395 -2.480 237 2HB GLN 30 1HB GLN 30 -3.784 9.529 -1.338 238 1HG GLN 30 2HG GLN 30 -2.033 11.245 -1.607 239 2HG GLN 30 1HG GLN 30 -3.051 12.107 -2.761 240 1HE2 GLN 30 1HE2 GLN 30 -2.137 13.218 -0.211 241 2HE2 GLN 30 2HE2 GLN 30 -3.519 13.509 0.731 242 H SER 31 H SER 31 -2.092 7.130 -3.593 243 HA SER 31 HA SER 31 -4.449 5.879 -4.773 244 1HB SER 31 2HB SER 31 -1.758 5.366 -4.890 245 2HB SER 31 1HB SER 31 -2.317 4.113 -3.771 246 HG SER 31 HG SER 31 -3.554 4.686 -6.253 247 H LEU 32 H LEU 32 -4.725 3.438 -3.645 248 HA LEU 32 HA LEU 32 -5.172 3.914 -0.733 249 1HB LEU 32 2HB LEU 32 -7.435 2.925 -0.943 250 2HB LEU 32 1HB LEU 32 -7.285 4.402 -1.896 251 HG LEU 32 HG LEU 32 -6.457 2.537 -3.709 252 1HD1 LEU 32 1HD1 LEU 32 -8.629 1.245 -2.030 253 2HD1 LEU 32 3HD1 LEU 32 -8.032 0.639 -3.576 254 3HD1 LEU 32 2HD1 LEU 32 -6.964 0.679 -2.173 255 1HD2 LEU 32 3HD2 LEU 32 -8.165 4.333 -4.005 256 2HD2 LEU 32 2HD2 LEU 32 -8.657 2.803 -4.731 257 3HD2 LEU 32 1HD2 LEU 32 -9.344 3.307 -3.187 258 H ASP 33 H ASP 33 -3.774 1.966 -2.997 259 HA ASP 33 HA ASP 33 -4.487 -0.624 -1.808 260 1HB ASP 33 2HB ASP 33 -3.942 -0.455 -4.211 261 2HB ASP 33 1HB ASP 33 -2.322 0.105 -3.797 262 H GLY 34 H GLY 34 -2.851 1.788 -0.520 263 1HA GLY 34 1HA GLY 34 -0.927 -0.033 0.847 264 2HA GLY 34 2HA GLY 34 -1.560 1.467 1.529 265 H ILE 35 H ILE 35 -0.774 1.709 -1.771 266 HA ILE 35 HA ILE 35 1.945 2.768 -1.153 267 HB ILE 35 HB ILE 35 0.686 2.053 -3.822 268 1HG1 ILE 35 2HG1 ILE 35 3.020 0.570 -2.762 269 2HG1 ILE 35 1HG1 ILE 35 1.500 0.299 -1.909 270 1HG2 ILE 35 1HG2 ILE 35 3.339 3.190 -2.989 271 2HG2 ILE 35 3HG2 ILE 35 3.248 2.147 -4.409 272 3HG2 ILE 35 2HG2 ILE 35 2.315 3.643 -4.351 273 1HD1 ILE 35 3HD1 ILE 35 1.496 0.247 -4.907 274 2HD1 ILE 35 2HD1 ILE 35 2.123 -1.154 -4.038 275 3HD1 ILE 35 1HD1 ILE 35 0.462 -0.622 -3.772 276 H MET 36 H MET 36 2.515 4.868 -2.203 277 HA MET 36 HA MET 36 0.090 6.604 -2.396 278 1HB MET 36 2HB MET 36 2.911 7.532 -1.833 279 2HB MET 36 1HB MET 36 1.406 8.414 -1.573 280 1HG MET 36 2HG MET 36 0.741 6.679 0.108 281 2HG MET 36 1HG MET 36 2.329 5.935 -0.089 282 1HE MET 36 1HE MET 36 4.374 7.973 -0.417 283 2HE MET 36 3HE MET 36 4.834 8.431 1.229 284 3HE MET 36 2HE MET 36 4.483 6.748 0.844 285 H PHE 37 H PHE 37 -0.369 7.382 -4.367 286 HA PHE 37 HA PHE 37 -0.133 8.046 -6.595 287 1HB PHE 37 2HB PHE 37 2.743 8.672 -6.325 288 2HB PHE 37 1HB PHE 37 1.424 9.666 -6.931 289 HD1 PHE 37 HD1 PHE 37 -0.127 10.798 -5.316 290 HD2 PHE 37 HD2 PHE 37 3.446 8.792 -4.041 291 HE1 PHE 37 HE1 PHE 37 -0.250 11.973 -3.142 292 HE2 PHE 37 HE2 PHE 37 3.331 9.969 -1.865 293 HZ PHE 37 HZ PHE 37 1.483 11.563 -1.412 294 H ILE 38 H ILE 38 3.208 6.918 -6.069 295 HA ILE 38 HA ILE 38 3.577 5.639 -8.495 296 HB ILE 38 HB ILE 38 5.311 4.357 -7.489 297 1HG1 ILE 38 1HG1 ILE 38 3.875 4.710 -4.840 298 2HG1 ILE 38 2HG1 ILE 38 3.854 3.237 -5.809 299 1HG2 ILE 38 2HG2 ILE 38 5.160 7.015 -7.085 300 2HG2 ILE 38 1HG2 ILE 38 5.213 6.481 -5.405 301 3HG2 ILE 38 3HG2 ILE 38 6.518 6.047 -6.511 302 1HD1 ILE 38 2HD1 ILE 38 6.384 3.232 -5.677 303 2HD1 ILE 38 1HD1 ILE 38 6.257 4.544 -4.505 304 3HD1 ILE 38 3HD1 ILE 38 5.569 2.962 -4.137 305 H ASN 39 H ASN 39 1.575 4.606 -5.839 306 HA ASN 39 HA ASN 39 1.206 1.902 -6.189 307 1HB ASN 39 2HB ASN 39 -0.103 3.496 -4.667 308 2HB ASN 39 1HB ASN 39 -1.145 3.790 -6.057 309 1HD2 ASN 39 1HD2 ASN 39 -3.002 2.514 -5.864 310 2HD2 ASN 39 2HD2 ASN 39 -3.022 0.903 -5.334 311 H LYS 40 H LYS 40 -0.802 4.283 -7.963 312 HA LYS 40 HA LYS 40 -2.123 2.717 -9.747 313 1HB LYS 40 2HB LYS 40 -0.634 5.271 -10.398 314 2HB LYS 40 1HB LYS 40 -1.834 4.533 -11.460 315 1HG LYS 40 2HG LYS 40 -3.437 4.618 -9.468 316 2HG LYS 40 1HG LYS 40 -2.254 5.668 -8.689 317 1HD LYS 40 2HD LYS 40 -2.411 7.275 -10.508 318 2HD LYS 40 1HD LYS 40 -3.466 6.194 -11.418 319 1HE LYS 40 2HE LYS 40 -5.110 6.316 -9.514 320 2HE LYS 40 1HE LYS 40 -4.085 7.548 -8.777 321 1HZ LYS 40 2HZ LYS 40 -5.208 7.747 -11.516 322 2HZ LYS 40 1HZ LYS 40 -5.926 8.447 -10.145 323 3HZ LYS 40 3HZ LYS 40 -4.391 8.960 -10.651 324 H CYS 41 H CYS 41 1.287 3.637 -10.118 325 HA CYS 41 HA CYS 41 1.677 2.218 -12.594 326 1HB CYS 41 2HB CYS 41 3.184 4.019 -11.555 327 2HB CYS 41 1HB CYS 41 3.797 2.748 -10.517 328 H ALA 42 H ALA 42 2.582 1.397 -9.236 329 HA ALA 42 HA ALA 42 3.300 -1.331 -9.978 330 1HB ALA 42 2HB ALA 42 3.122 0.201 -7.397 331 2HB ALA 42 1HB ALA 42 3.319 -1.552 -7.376 332 3HB ALA 42 3HB ALA 42 4.534 -0.537 -8.154 333 H THR 43 H THR 43 0.325 0.156 -9.529 334 HA THR 43 HA THR 43 -0.903 -2.342 -8.449 335 HB THR 43 HB THR 43 -2.122 0.417 -8.781 336 HG1 THR 43 HG1 THR 43 -0.358 -0.174 -7.126 337 1HG2 THR 43 2HG2 THR 43 -3.175 -2.233 -8.059 338 2HG2 THR 43 1HG2 THR 43 -3.573 -0.967 -6.897 339 3HG2 THR 43 3HG2 THR 43 -4.034 -0.787 -8.590 340 H CYS 44 H CYS 44 -0.963 -0.093 -11.176 341 HA CYS 44 HA CYS 44 -3.059 -1.659 -12.527 342 1HB CYS 44 2HB CYS 44 -1.488 0.819 -13.227 343 2HB CYS 44 1HB CYS 44 -2.487 -0.002 -14.428 344 H LYS 45 H LYS 45 0.413 -1.457 -12.428 345 HA LYS 45 HA LYS 45 1.183 -2.454 -14.922 346 1HB LYS 45 2HB LYS 45 2.730 -1.885 -13.013 347 2HB LYS 45 1HB LYS 45 2.292 -3.424 -12.270 348 1HG LYS 45 2HG LYS 45 3.134 -4.642 -14.214 349 2HG LYS 45 1HG LYS 45 3.486 -3.126 -15.043 350 1HD LYS 45 2HD LYS 45 5.053 -2.534 -13.179 351 2HD LYS 45 1HD LYS 45 4.772 -4.131 -12.486 352 1HE LYS 45 2HE LYS 45 5.660 -5.206 -14.480 353 2HE LYS 45 1HE LYS 45 5.813 -3.648 -15.293 354 1HZ LYS 45 2HZ LYS 45 7.185 -3.189 -13.059 355 2HZ LYS 45 1HZ LYS 45 7.492 -4.849 -13.256 356 3HZ LYS 45 3HZ LYS 45 7.895 -3.760 -14.493 357 H MET 46 H MET 46 0.142 -4.355 -12.077 358 HA MET 46 HA MET 46 0.136 -6.854 -13.559 359 1HB MET 46 2HB MET 46 -1.191 -6.114 -10.930 360 2HB MET 46 1HB MET 46 -1.017 -7.754 -11.556 361 1HG MET 46 2HG MET 46 1.452 -7.461 -11.566 362 2HG MET 46 1HG MET 46 1.248 -5.853 -10.873 363 1HE MET 46 2HE MET 46 2.968 -6.748 -9.610 364 2HE MET 46 1HE MET 46 2.508 -6.707 -7.910 365 3HE MET 46 3HE MET 46 2.961 -8.238 -8.671 366 H ILE 47 H ILE 47 -2.130 -4.263 -12.998 367 HA ILE 47 HA ILE 47 -4.484 -5.773 -13.813 368 HB ILE 47 HB ILE 47 -4.024 -2.775 -13.683 369 1HG1 ILE 47 2HG1 ILE 47 -5.374 -4.614 -11.686 370 2HG1 ILE 47 1HG1 ILE 47 -3.714 -4.040 -11.525 371 1HG2 ILE 47 3HG2 ILE 47 -6.369 -4.505 -14.314 372 2HG2 ILE 47 2HG2 ILE 47 -6.663 -3.098 -13.291 373 3HG2 ILE 47 1HG2 ILE 47 -5.973 -2.889 -14.901 374 1HD1 ILE 47 2HD1 ILE 47 -5.944 -2.069 -11.962 375 2HD1 ILE 47 1HD1 ILE 47 -5.644 -2.711 -10.348 376 3HD1 ILE 47 3HD1 ILE 47 -4.378 -1.819 -11.191 377 H LEU 48 H LEU 48 -2.009 -3.860 -15.409 378 HA LEU 48 HA LEU 48 -3.483 -3.734 -17.942 379 1HB LEU 48 2HB LEU 48 -0.593 -3.106 -17.260 380 2HB LEU 48 1HB LEU 48 -1.338 -2.811 -18.830 381 HG LEU 48 HG LEU 48 -1.987 -1.511 -16.182 382 1HD1 LEU 48 1HD1 LEU 48 -0.359 -0.785 -18.319 383 2HD1 LEU 48 3HD1 LEU 48 -1.845 0.125 -18.593 384 3HD1 LEU 48 2HD1 LEU 48 -0.973 0.298 -17.070 385 1HD2 LEU 48 1HD2 LEU 48 -3.709 -1.941 -18.580 386 2HD2 LEU 48 3HD2 LEU 48 -4.167 -1.776 -16.884 387 3HD2 LEU 48 2HD2 LEU 48 -3.754 -0.345 -17.830 388 H GLU 49 H GLU 49 -1.066 -5.782 -16.426 389 HA GLU 49 HA GLU 49 -0.265 -7.186 -18.811 390 1HB GLU 49 2HB GLU 49 -0.178 -7.910 -15.873 391 2HB GLU 49 1HB GLU 49 0.462 -8.964 -17.134 392 1HG GLU 49 2HG GLU 49 1.954 -7.145 -17.892 393 2HG GLU 49 1HG GLU 49 1.319 -6.098 -16.622 394 H LYS 50 H LYS 50 -2.889 -7.607 -16.485 395 HA LYS 50 HA LYS 50 -3.728 -10.210 -17.264 396 1HB LYS 50 2HB LYS 50 -5.293 -7.836 -16.217 397 2HB LYS 50 1HB LYS 50 -6.002 -9.434 -16.450 398 1HG LYS 50 2HG LYS 50 -4.378 -10.414 -14.905 399 2HG LYS 50 1HG LYS 50 -3.576 -8.854 -14.723 400 1HD LYS 50 2HD LYS 50 -4.998 -9.010 -12.831 401 2HD LYS 50 1HD LYS 50 -5.874 -7.969 -13.953 402 1HE LYS 50 2HE LYS 50 -7.518 -9.510 -14.290 403 2HE LYS 50 1HE LYS 50 -6.383 -10.860 -14.294 404 1HZ LYS 50 3HZ LYS 50 -6.209 -10.587 -11.855 405 2HZ LYS 50 2HZ LYS 50 -7.449 -9.428 -11.924 406 3HZ LYS 50 1HZ LYS 50 -7.759 -11.036 -12.374 407 H GLU 51 H GLU 51 -4.355 -7.029 -18.675 408 HA GLU 51 HA GLU 51 -6.397 -7.807 -20.506 409 1HB GLU 51 2HB GLU 51 -4.252 -5.679 -20.781 410 2HB GLU 51 1HB GLU 51 -5.674 -5.814 -21.816 411 1HG GLU 51 2HG GLU 51 -7.127 -5.573 -19.816 412 2HG GLU 51 1HG GLU 51 -5.690 -5.380 -18.813 413 H ALA 52 H ALA 52 -2.886 -8.100 -20.628 414 HA ALA 52 HA ALA 52 -2.660 -8.756 -23.405 415 1HB ALA 52 3HB ALA 52 -0.710 -8.189 -21.989 416 2HB ALA 52 2HB ALA 52 -0.941 -9.683 -21.082 417 3HB ALA 52 1HB ALA 52 -0.489 -9.747 -22.785 418 H LYS 53 H LYS 53 -3.609 -10.621 -20.593 419 HA LYS 53 HA LYS 53 -3.264 -13.241 -21.662 420 1HB LYS 53 2HB LYS 53 -3.814 -12.734 -19.275 421 2HB LYS 53 1HB LYS 53 -5.446 -12.293 -19.779 422 1HG LYS 53 2HG LYS 53 -5.747 -14.571 -20.723 423 2HG LYS 53 1HG LYS 53 -4.136 -15.004 -20.151 424 1HD LYS 53 2HD LYS 53 -4.870 -14.432 -17.822 425 2HD LYS 53 1HD LYS 53 -6.500 -14.172 -18.444 426 1HE LYS 53 2HE LYS 53 -6.777 -16.446 -19.007 427 2HE LYS 53 1HE LYS 53 -5.043 -16.761 -18.961 428 1HZ LYS 53 2HZ LYS 53 -6.567 -15.937 -16.562 429 2HZ LYS 53 1HZ LYS 53 -6.380 -17.568 -17.002 430 3HZ LYS 53 3HZ LYS 53 -5.017 -16.628 -16.635 431 H SER 54 H SER 54 -5.853 -10.862 -22.043 432 HA SER 54 HA SER 54 -7.760 -12.575 -23.301 433 1HB SER 54 2HB SER 54 -8.804 -10.540 -24.106 434 2HB SER 54 1HB SER 54 -8.207 -10.239 -22.474 435 HG SER 54 HG SER 54 -7.420 -9.163 -24.871 436 H GLN 55 H GLN 55 -4.845 -11.045 -24.478 437 HA GLN 55 HA GLN 55 -5.525 -11.630 -27.292 438 1HB GLN 55 2HB GLN 55 -3.033 -10.465 -26.013 439 2HB GLN 55 1HB GLN 55 -3.271 -10.655 -27.750 440 1HG GLN 55 2HG GLN 55 -5.246 -9.194 -27.655 441 2HG GLN 55 1HG GLN 55 -5.057 -9.033 -25.909 442 1HE2 GLN 55 1HE2 GLN 55 -4.960 -6.731 -27.594 443 2HE2 GLN 55 2HE2 GLN 55 -3.378 -6.115 -27.583 No H/Q in entry = 443 Start of MODEL 9 1 H1 LYS 1 1H LYS 1 -25.109 11.949 19.637 2 H2 LYS 1 3H LYS 1 -26.752 11.530 19.680 3 H3 LYS 1 2H LYS 1 -26.117 12.595 20.842 4 HA LYS 1 HA LYS 1 -25.014 10.942 21.986 5 1HB LYS 1 2HB LYS 1 -27.524 9.707 20.813 6 2HB LYS 1 1HB LYS 1 -26.674 9.090 22.230 7 1HG LYS 1 2HG LYS 1 -26.986 11.316 23.327 8 2HG LYS 1 1HG LYS 1 -27.945 11.829 21.939 9 1HD LYS 1 2HD LYS 1 -29.483 9.894 22.356 10 2HD LYS 1 1HD LYS 1 -28.568 9.533 23.820 11 1HE LYS 1 2HE LYS 1 -30.023 12.130 23.229 12 2HE LYS 1 1HE LYS 1 -30.552 10.885 24.361 13 1HZ LYS 1 3HZ LYS 1 -28.454 11.217 25.578 14 2HZ LYS 1 2HZ LYS 1 -28.069 12.502 24.536 15 3HZ LYS 1 1HZ LYS 1 -29.424 12.608 25.556 16 H ASN 2 H ASN 2 -26.370 9.111 19.221 17 HA ASN 2 HA ASN 2 -25.389 7.437 17.901 18 1HB ASN 2 2HB ASN 2 -22.880 9.015 18.554 19 2HB ASN 2 1HB ASN 2 -23.018 7.801 17.283 20 1HD2 ASN 2 1HD2 ASN 2 -22.375 10.566 16.727 21 2HD2 ASN 2 2HD2 ASN 2 -23.661 11.230 15.840 22 H GLU 3 H GLU 3 -25.923 6.525 20.392 23 HA GLU 3 HA GLU 3 -23.665 5.577 21.884 24 1HB GLU 3 2HB GLU 3 -26.040 5.676 22.724 25 2HB GLU 3 1HB GLU 3 -26.401 4.284 21.703 26 1HG GLU 3 2HG GLU 3 -24.624 2.997 22.872 27 2HG GLU 3 1HG GLU 3 -24.335 4.383 23.923 28 H ASP 4 H ASP 4 -25.412 4.294 19.102 29 HA ASP 4 HA ASP 4 -24.457 1.633 19.129 30 1HB ASP 4 2HB ASP 4 -24.753 3.292 16.617 31 2HB ASP 4 1HB ASP 4 -24.995 1.554 16.803 32 H GLN 5 H GLN 5 -22.850 4.627 18.259 33 HA GLN 5 HA GLN 5 -20.628 3.516 16.850 34 1HB GLN 5 2HB GLN 5 -20.852 6.011 18.558 35 2HB GLN 5 1HB GLN 5 -19.448 5.625 17.563 36 1HG GLN 5 2HG GLN 5 -20.893 5.561 15.557 37 2HG GLN 5 1HG GLN 5 -22.292 5.959 16.554 38 1HE2 GLN 5 1HE2 GLN 5 -21.541 7.702 14.450 39 2HE2 GLN 5 2HE2 GLN 5 -20.930 9.141 15.111 40 H GLU 6 H GLU 6 -21.266 3.967 20.305 41 HA GLU 6 HA GLU 6 -18.632 3.282 21.218 42 1HB GLU 6 2HB GLU 6 -20.390 4.359 22.639 43 2HB GLU 6 1HB GLU 6 -21.272 2.831 22.644 44 1HG GLU 6 2HG GLU 6 -19.248 1.725 23.617 45 2HG GLU 6 1HG GLU 6 -18.475 3.307 23.718 46 H MET 7 H MET 7 -21.478 1.354 20.385 47 HA MET 7 HA MET 7 -20.602 -1.145 21.424 48 1HB MET 7 2HB MET 7 -22.303 -0.503 18.997 49 2HB MET 7 1HB MET 7 -22.085 -2.131 19.640 50 1HG MET 7 2HG MET 7 -22.978 -1.366 21.827 51 2HG MET 7 1HG MET 7 -23.242 0.238 21.142 52 1HE MET 7 1HE MET 7 -25.218 -0.583 22.486 53 2HE MET 7 3HE MET 7 -26.269 0.208 21.303 54 3HE MET 7 2HE MET 7 -26.607 -1.441 21.823 55 H CYS 8 H CYS 8 -19.712 0.616 18.523 56 HA CYS 8 HA CYS 8 -18.454 -1.553 17.133 57 1HB CYS 8 2HB CYS 8 -18.993 0.585 16.030 58 2HB CYS 8 1HB CYS 8 -17.823 1.414 17.057 59 H HIS 9 H HIS 9 -17.285 0.746 19.563 60 HA HIS 9 HA HIS 9 -14.544 0.315 19.509 61 1HB HIS 9 2HB HIS 9 -15.397 1.834 21.135 62 2HB HIS 9 1HB HIS 9 -16.435 0.603 21.852 63 HD1 HIS 9 HD1 HIS 9 -15.021 -1.516 22.925 64 HD2 HIS 9 HD2 HIS 9 -12.969 2.080 22.439 65 HE1 HIS 9 HE1 HIS 9 -12.980 -1.650 24.415 66 H GLU 10 H GLU 10 -16.906 -1.706 21.293 67 HA GLU 10 HA GLU 10 -15.100 -3.654 22.225 68 1HB GLU 10 2HB GLU 10 -17.489 -3.534 22.890 69 2HB GLU 10 1HB GLU 10 -17.949 -4.113 21.289 70 1HG GLU 10 2HG GLU 10 -16.532 -6.154 21.704 71 2HG GLU 10 1HG GLU 10 -16.300 -5.592 23.359 72 H PHE 11 H PHE 11 -16.650 -3.368 19.042 73 HA PHE 11 HA PHE 11 -15.599 -5.932 18.135 74 1HB PHE 11 2HB PHE 11 -17.435 -3.954 17.143 75 2HB PHE 11 1HB PHE 11 -16.221 -4.279 15.907 76 HD1 PHE 11 HD1 PHE 11 -15.604 -7.157 16.740 77 HD2 PHE 11 HD2 PHE 11 -19.308 -5.074 16.122 78 HE1 PHE 11 HE1 PHE 11 -16.720 -9.303 16.209 79 HE2 PHE 11 HE2 PHE 11 -20.424 -7.221 15.588 80 HZ PHE 11 HZ PHE 11 -19.131 -9.337 15.631 81 H GLN 12 H GLN 12 -14.313 -2.794 18.499 82 HA GLN 12 HA GLN 12 -12.470 -2.755 16.296 83 1HB GLN 12 2HB GLN 12 -12.992 -0.746 17.640 84 2HB GLN 12 1HB GLN 12 -12.211 -1.483 19.040 85 1HG GLN 12 2HG GLN 12 -10.087 -1.619 17.740 86 2HG GLN 12 1HG GLN 12 -10.882 -0.792 16.400 87 1HE2 GLN 12 1HE2 GLN 12 -8.731 0.566 17.359 88 2HE2 GLN 12 2HE2 GLN 12 -9.197 1.870 18.340 89 H ALA 13 H ALA 13 -12.416 -4.306 19.447 90 HA ALA 13 HA ALA 13 -9.577 -4.932 19.371 91 1HB ALA 13 3HB ALA 13 -11.672 -5.139 21.262 92 2HB ALA 13 2HB ALA 13 -11.091 -6.781 20.989 93 3HB ALA 13 1HB ALA 13 -9.969 -5.523 21.508 94 H PHE 14 H PHE 14 -12.487 -6.380 18.108 95 HA PHE 14 HA PHE 14 -11.159 -8.960 17.585 96 1HB PHE 14 2HB PHE 14 -13.902 -7.890 16.872 97 2HB PHE 14 1HB PHE 14 -13.340 -9.509 16.457 98 HD1 PHE 14 HD1 PHE 14 -12.695 -11.108 18.294 99 HD2 PHE 14 HD2 PHE 14 -14.632 -7.356 19.081 100 HE1 PHE 14 HE1 PHE 14 -13.316 -11.904 20.559 101 HE2 PHE 14 HE2 PHE 14 -15.254 -8.152 21.345 102 HZ PHE 14 HZ PHE 14 -14.596 -10.425 22.085 103 H MET 15 H MET 15 -11.067 -5.961 16.164 104 HA MET 15 HA MET 15 -11.213 -6.804 13.367 105 1HB MET 15 2HB MET 15 -11.615 -4.421 14.418 106 2HB MET 15 1HB MET 15 -9.865 -4.272 14.256 107 1HG MET 15 2HG MET 15 -11.643 -5.144 11.967 108 2HG MET 15 1HG MET 15 -11.238 -3.453 12.262 109 1HE MET 15 3HE MET 15 -8.974 -2.532 12.495 110 2HE MET 15 2HE MET 15 -8.212 -3.789 13.465 111 3HE MET 15 1HE MET 15 -7.454 -3.265 11.963 112 H LYS 16 H LYS 16 -9.532 -7.617 12.186 113 HA LYS 16 HA LYS 16 -6.758 -7.169 13.170 114 1HB LYS 16 2HB LYS 16 -7.942 -9.876 12.481 115 2HB LYS 16 1HB LYS 16 -6.238 -9.573 12.821 116 1HG LYS 16 2HG LYS 16 -6.938 -8.647 15.064 117 2HG LYS 16 1HG LYS 16 -8.575 -9.203 14.716 118 1HD LYS 16 2HD LYS 16 -7.723 -11.513 14.449 119 2HD LYS 16 1HD LYS 16 -6.096 -10.950 14.832 120 1HE LYS 16 2HE LYS 16 -7.344 -11.950 16.792 121 2HE LYS 16 1HE LYS 16 -6.768 -10.305 17.059 122 1HZ LYS 16 3HZ LYS 16 -9.496 -10.934 16.087 123 2HZ LYS 16 2HZ LYS 16 -9.119 -10.730 17.731 124 3HZ LYS 16 1HZ LYS 16 -8.915 -9.441 16.643 125 H ASN 17 H ASN 17 -5.195 -7.191 11.504 126 HA ASN 17 HA ASN 17 -4.466 -6.766 9.310 127 1HB ASN 17 2HB ASN 17 -6.425 -9.024 8.789 128 2HB ASN 17 1HB ASN 17 -5.198 -8.466 7.652 129 1HD2 ASN 17 1HD2 ASN 17 -5.200 -11.154 8.693 130 2HD2 ASN 17 2HD2 ASN 17 -3.823 -11.342 9.667 131 H GLY 18 H GLY 18 -6.860 -5.279 10.300 132 1HA GLY 18 1HA GLY 18 -7.629 -4.111 7.745 133 2HA GLY 18 2HA GLY 18 -8.212 -3.602 9.331 134 H LYS 19 H LYS 19 -8.788 -6.667 9.677 135 HA LYS 19 HA LYS 19 -11.350 -6.672 8.134 136 1HB LYS 19 2HB LYS 19 -9.628 -8.526 7.713 137 2HB LYS 19 1HB LYS 19 -9.990 -9.087 9.345 138 1HG LYS 19 2HG LYS 19 -12.507 -8.733 8.277 139 2HG LYS 19 1HG LYS 19 -11.591 -9.306 6.885 140 1HD LYS 19 2HD LYS 19 -10.667 -11.078 8.612 141 2HD LYS 19 1HD LYS 19 -12.145 -10.686 9.492 142 1HE LYS 19 2HE LYS 19 -12.337 -12.620 7.844 143 2HE LYS 19 1HE LYS 19 -13.521 -11.330 7.634 144 1HZ LYS 19 3HZ LYS 19 -10.988 -11.121 6.186 145 2HZ LYS 19 2HZ LYS 19 -12.126 -12.252 5.627 146 3HZ LYS 19 1HZ LYS 19 -12.539 -10.607 5.732 147 H LEU 20 H LEU 20 -13.253 -7.372 9.293 148 HA LEU 20 HA LEU 20 -12.996 -6.994 12.242 149 1HB LEU 20 2HB LEU 20 -14.474 -5.368 11.233 150 2HB LEU 20 1HB LEU 20 -15.344 -6.627 10.359 151 HG LEU 20 HG LEU 20 -15.850 -7.621 12.698 152 1HD1 LEU 20 3HD1 LEU 20 -14.143 -5.594 13.496 153 2HD1 LEU 20 2HD1 LEU 20 -15.737 -4.920 13.837 154 3HD1 LEU 20 1HD1 LEU 20 -15.260 -6.460 14.552 155 1HD2 LEU 20 2HD2 LEU 20 -17.466 -6.407 11.182 156 2HD2 LEU 20 1HD2 LEU 20 -17.832 -6.258 12.901 157 3HD2 LEU 20 3HD2 LEU 20 -17.062 -4.923 12.045 158 H PHE 21 H PHE 21 -12.794 -8.997 13.162 159 HA PHE 21 HA PHE 21 -14.161 -11.328 12.022 160 1HB PHE 21 2HB PHE 21 -12.472 -10.940 14.508 161 2HB PHE 21 1HB PHE 21 -13.165 -12.491 14.034 162 HD1 PHE 21 HD1 PHE 21 -11.091 -9.682 12.664 163 HD2 PHE 21 HD2 PHE 21 -11.977 -13.884 12.574 164 HE1 PHE 21 HE1 PHE 21 -9.205 -10.046 11.096 165 HE2 PHE 21 HE2 PHE 21 -10.091 -14.248 11.006 166 HZ PHE 21 HZ PHE 21 -8.706 -12.329 10.266 167 H CYS 22 H CYS 22 -16.342 -11.388 12.336 168 HA CYS 22 HA CYS 22 -17.412 -10.531 14.982 169 1HB CYS 22 2HB CYS 22 -18.900 -11.055 12.392 170 2HB CYS 22 1HB CYS 22 -19.571 -10.349 13.863 171 HA PRO 23 HA PRO 23 -17.638 -15.087 15.454 172 1HB PRO 23 2HB PRO 23 -17.688 -15.020 18.153 173 2HB PRO 23 1HB PRO 23 -16.192 -14.923 17.221 174 1HG PRO 23 2HG PRO 23 -17.775 -12.732 18.503 175 2HG PRO 23 1HG PRO 23 -16.025 -12.960 18.460 176 1HD PRO 23 2HD PRO 23 -17.314 -11.222 16.821 177 2HD PRO 23 1HD PRO 23 -15.832 -12.054 16.348 178 H GLN 24 H GLN 24 -19.264 -16.399 16.819 179 HA GLN 24 HA GLN 24 -21.925 -15.403 16.300 180 1HB GLN 24 2HB GLN 24 -20.916 -17.788 17.873 181 2HB GLN 24 1HB GLN 24 -22.627 -17.462 17.594 182 1HG GLN 24 2HG GLN 24 -22.188 -17.467 15.137 183 2HG GLN 24 1HG GLN 24 -20.511 -17.905 15.464 184 1HE2 GLN 24 1HE2 GLN 24 -22.084 -19.685 13.954 185 2HE2 GLN 24 2HE2 GLN 24 -22.426 -21.066 14.879 186 H ASP 25 H ASP 25 -22.901 -13.873 17.529 187 HA ASP 25 HA ASP 25 -22.014 -13.433 20.307 188 1HB ASP 25 2HB ASP 25 -22.457 -11.524 18.743 189 2HB ASP 25 1HB ASP 25 -24.159 -11.987 18.722 190 H LYS 26 H LYS 26 -23.020 -14.413 21.988 191 HA LYS 26 HA LYS 26 -25.327 -16.086 21.647 192 1HB LYS 26 2HB LYS 26 -24.076 -14.936 24.159 193 2HB LYS 26 1HB LYS 26 -25.316 -16.190 24.145 194 1HG LYS 26 2HG LYS 26 -23.806 -17.611 22.755 195 2HG LYS 26 1HG LYS 26 -22.556 -16.376 22.900 196 1HD LYS 26 2HD LYS 26 -22.695 -16.606 25.391 197 2HD LYS 26 1HD LYS 26 -23.827 -17.940 25.167 198 1HE LYS 26 2HE LYS 26 -22.161 -19.384 24.676 199 2HE LYS 26 1HE LYS 26 -21.434 -18.259 23.529 200 1HZ LYS 26 2HZ LYS 26 -20.945 -17.136 25.960 201 2HZ LYS 26 1HZ LYS 26 -20.724 -18.797 26.247 202 3HZ LYS 26 3HZ LYS 26 -19.832 -18.022 25.031 203 H LYS 27 H LYS 27 -24.901 -12.750 22.700 204 HA LYS 27 HA LYS 27 -27.659 -12.434 23.572 205 1HB LYS 27 2HB LYS 27 -25.372 -10.545 23.042 206 2HB LYS 27 1HB LYS 27 -26.994 -9.929 23.356 207 1HG LYS 27 2HG LYS 27 -26.624 -11.860 25.329 208 2HG LYS 27 1HG LYS 27 -25.053 -11.067 25.218 209 1HD LYS 27 2HD LYS 27 -25.867 -9.295 26.340 210 2HD LYS 27 1HD LYS 27 -27.073 -9.048 25.076 211 1HE LYS 27 2HE LYS 27 -27.674 -11.289 26.894 212 2HE LYS 27 1HE LYS 27 -27.659 -9.709 27.677 213 1HZ LYS 27 1HZ LYS 27 -28.975 -9.597 25.163 214 2HZ LYS 27 3HZ LYS 27 -29.684 -10.776 26.154 215 3HZ LYS 27 2HZ LYS 27 -29.558 -9.173 26.701 216 HA PRO 28 HA PRO 28 -29.542 -11.779 19.603 217 1HB PRO 28 2HB PRO 28 -31.638 -10.243 20.346 218 2HB PRO 28 1HB PRO 28 -31.558 -11.977 20.668 219 1HG PRO 28 2HG PRO 28 -30.970 -9.678 22.495 220 2HG PRO 28 1HG PRO 28 -31.858 -11.167 22.833 221 1HD PRO 28 2HD PRO 28 -29.285 -10.821 23.594 222 2HD PRO 28 1HD PRO 28 -29.928 -12.400 23.143 223 H ILE 29 H ILE 29 -29.143 -10.322 17.985 224 HA ILE 29 HA ILE 29 -28.484 -7.525 18.810 225 HB ILE 29 HB ILE 29 -27.463 -7.764 16.270 226 1HG1 ILE 29 2HG1 ILE 29 -26.109 -9.947 16.456 227 2HG1 ILE 29 1HG1 ILE 29 -27.308 -10.452 17.643 228 1HG2 ILE 29 2HG2 ILE 29 -26.513 -7.484 18.943 229 2HG2 ILE 29 1HG2 ILE 29 -25.454 -8.628 18.119 230 3HG2 ILE 29 3HG2 ILE 29 -25.702 -7.015 17.447 231 1HD1 ILE 29 1HD1 ILE 29 -28.707 -9.355 15.409 232 2HD1 ILE 29 3HD1 ILE 29 -27.516 -10.498 14.787 233 3HD1 ILE 29 2HD1 ILE 29 -28.708 -11.026 15.975 234 H GLN 30 H GLN 30 -28.840 -5.974 16.876 235 HA GLN 30 HA GLN 30 -31.070 -6.652 15.099 236 1HB GLN 30 2HB GLN 30 -31.381 -4.743 17.430 237 2HB GLN 30 1HB GLN 30 -32.409 -4.651 16.000 238 1HG GLN 30 2HG GLN 30 -32.908 -7.128 16.364 239 2HG GLN 30 1HG GLN 30 -32.132 -6.958 17.938 240 1HE2 GLN 30 1HE2 GLN 30 -34.809 -7.638 17.995 241 2HE2 GLN 30 2HE2 GLN 30 -35.755 -6.309 18.465 242 H SER 31 H SER 31 -30.309 -5.764 13.233 243 HA SER 31 HA SER 31 -28.391 -3.572 13.313 244 1HB SER 31 2HB SER 31 -27.821 -4.352 11.282 245 2HB SER 31 1HB SER 31 -29.028 -5.617 11.505 246 HG SER 31 HG SER 31 -29.327 -3.098 10.259 247 H LEU 32 H LEU 32 -28.744 -1.457 12.911 248 HA LEU 32 HA LEU 32 -31.504 -0.483 12.887 249 1HB LEU 32 2HB LEU 32 -28.836 0.961 12.766 250 2HB LEU 32 1HB LEU 32 -30.399 1.764 12.904 251 HG LEU 32 HG LEU 32 -30.802 0.376 14.994 252 1HD1 LEU 32 3HD1 LEU 32 -28.006 -0.430 14.288 253 2HD1 LEU 32 2HD1 LEU 32 -28.424 -0.265 15.993 254 3HD1 LEU 32 1HD1 LEU 32 -29.310 -1.400 14.974 255 1HD2 LEU 32 2HD2 LEU 32 -29.953 2.786 14.911 256 2HD2 LEU 32 1HD2 LEU 32 -29.593 1.894 16.390 257 3HD2 LEU 32 3HD2 LEU 32 -28.339 2.122 15.171 258 H ASP 33 H ASP 33 -29.046 -1.184 10.572 259 HA ASP 33 HA ASP 33 -29.880 0.651 8.513 260 1HB ASP 33 2HB ASP 33 -28.441 -2.010 8.320 261 2HB ASP 33 1HB ASP 33 -28.609 -0.860 6.995 262 H GLY 34 H GLY 34 -31.421 -2.005 9.884 263 1HA GLY 34 1HA GLY 34 -33.188 -2.256 7.488 264 2HA GLY 34 2HA GLY 34 -33.719 -2.511 9.152 265 H ILE 35 H ILE 35 -31.020 -3.936 9.581 266 HA ILE 35 HA ILE 35 -31.765 -6.508 8.237 267 HB ILE 35 HB ILE 35 -29.037 -5.922 9.378 268 1HG1 ILE 35 2HG1 ILE 35 -29.176 -5.588 6.502 269 2HG1 ILE 35 1HG1 ILE 35 -30.212 -4.415 7.311 270 1HG2 ILE 35 2HG2 ILE 35 -29.628 -8.240 8.750 271 2HG2 ILE 35 1HG2 ILE 35 -30.027 -7.692 7.122 272 3HG2 ILE 35 3HG2 ILE 35 -28.365 -7.595 7.703 273 1HD1 ILE 35 1HD1 ILE 35 -28.295 -3.824 8.809 274 2HD1 ILE 35 3HD1 ILE 35 -27.274 -4.915 7.871 275 3HD1 ILE 35 2HD1 ILE 35 -27.968 -3.484 7.109 276 H MET 36 H MET 36 -31.689 -8.415 9.538 277 HA MET 36 HA MET 36 -31.947 -7.860 12.454 278 1HB MET 36 2HB MET 36 -32.790 -10.248 10.782 279 2HB MET 36 1HB MET 36 -33.010 -10.121 12.527 280 1HG MET 36 2HG MET 36 -34.350 -8.045 12.166 281 2HG MET 36 1HG MET 36 -34.203 -8.288 10.425 282 1HE MET 36 1HE MET 36 -36.609 -8.404 9.847 283 2HE MET 36 3HE MET 36 -37.849 -9.278 10.756 284 3HE MET 36 2HE MET 36 -36.981 -7.940 11.505 285 H PHE 37 H PHE 37 -29.323 -7.886 11.396 286 HA PHE 37 HA PHE 37 -28.294 -10.489 12.450 287 1HB PHE 37 2HB PHE 37 -27.506 -8.832 10.108 288 2HB PHE 37 1HB PHE 37 -26.196 -9.580 11.024 289 HD1 PHE 37 HD1 PHE 37 -26.614 -12.118 11.691 290 HD2 PHE 37 HD2 PHE 37 -28.548 -10.086 8.438 291 HE1 PHE 37 HE1 PHE 37 -27.115 -14.300 10.627 292 HE2 PHE 37 HE2 PHE 37 -29.049 -12.270 7.373 293 HZ PHE 37 HZ PHE 37 -28.333 -14.376 8.467 294 H ILE 38 H ILE 38 -25.733 -9.980 12.961 295 HA ILE 38 HA ILE 38 -25.735 -8.497 15.372 296 HB ILE 38 HB ILE 38 -23.402 -9.174 13.558 297 1HG1 ILE 38 2HG1 ILE 38 -24.377 -10.580 16.058 298 2HG1 ILE 38 1HG1 ILE 38 -24.836 -11.080 14.430 299 1HG2 ILE 38 1HG2 ILE 38 -23.370 -7.384 15.619 300 2HG2 ILE 38 3HG2 ILE 38 -23.031 -8.885 16.479 301 3HG2 ILE 38 2HG2 ILE 38 -21.985 -8.372 15.156 302 1HD1 ILE 38 1HD1 ILE 38 -22.040 -10.760 14.349 303 2HD1 ILE 38 3HD1 ILE 38 -22.371 -11.592 15.869 304 3HD1 ILE 38 2HD1 ILE 38 -22.931 -12.282 14.346 305 H ASN 39 H ASN 39 -26.507 -6.405 15.179 306 HA ASN 39 HA ASN 39 -25.949 -4.552 13.126 307 1HB ASN 39 2HB ASN 39 -27.642 -4.184 14.880 308 2HB ASN 39 1HB ASN 39 -26.366 -3.996 16.077 309 1HD2 ASN 39 1HD2 ASN 39 -26.888 -2.663 12.747 310 2HD2 ASN 39 2HD2 ASN 39 -26.596 -1.055 13.193 311 H LYS 40 H LYS 40 -24.302 -4.865 16.284 312 HA LYS 40 HA LYS 40 -22.352 -2.942 16.025 313 1HB LYS 40 2HB LYS 40 -21.833 -5.754 17.023 314 2HB LYS 40 1HB LYS 40 -20.907 -4.312 17.439 315 1HG LYS 40 2HG LYS 40 -22.957 -3.316 18.437 316 2HG LYS 40 1HG LYS 40 -23.831 -4.806 18.081 317 1HD LYS 40 2HD LYS 40 -22.294 -6.076 19.509 318 2HD LYS 40 1HD LYS 40 -21.356 -4.617 19.826 319 1HE LYS 40 2HE LYS 40 -22.918 -5.080 21.682 320 2HE LYS 40 1HE LYS 40 -23.337 -3.572 20.868 321 1HZ LYS 40 1HZ LYS 40 -24.604 -5.796 19.635 322 2HZ LYS 40 3HZ LYS 40 -24.985 -5.730 21.286 323 3HZ LYS 40 2HZ LYS 40 -25.298 -4.390 20.290 324 H CYS 41 H CYS 41 -22.091 -6.255 14.746 325 HA CYS 41 HA CYS 41 -19.579 -5.894 13.454 326 1HB CYS 41 2HB CYS 41 -20.738 -8.087 13.804 327 2HB CYS 41 1HB CYS 41 -21.874 -7.644 12.537 328 H ALA 42 H ALA 42 -22.857 -5.741 12.084 329 HA ALA 42 HA ALA 42 -22.052 -4.848 9.498 330 1HB ALA 42 3HB ALA 42 -24.392 -5.680 10.567 331 2HB ALA 42 1HB ALA 42 -24.279 -4.831 9.025 332 3HB ALA 42 2HB ALA 42 -24.688 -3.943 10.493 333 H THR 43 H THR 43 -22.735 -3.002 12.461 334 HA THR 43 HA THR 43 -22.501 -0.497 10.880 335 HB THR 43 HB THR 43 -22.981 0.483 13.274 336 HG1 THR 43 HG1 THR 43 -23.466 -0.945 14.720 337 1HG2 THR 43 2HG2 THR 43 -24.498 0.361 11.212 338 2HG2 THR 43 1HG2 THR 43 -25.177 -1.101 11.927 339 3HG2 THR 43 3HG2 THR 43 -25.313 0.440 12.774 340 H CYS 44 H CYS 44 -20.926 -2.142 13.630 341 HA CYS 44 HA CYS 44 -18.989 -0.186 14.232 342 1HB CYS 44 2HB CYS 44 -19.235 -2.220 15.579 343 2HB CYS 44 1HB CYS 44 -18.663 -3.202 14.231 344 H LYS 45 H LYS 45 -19.161 -2.424 11.521 345 HA LYS 45 HA LYS 45 -16.458 -2.238 10.647 346 1HB LYS 45 2HB LYS 45 -19.073 -2.758 9.253 347 2HB LYS 45 1HB LYS 45 -17.597 -2.564 8.306 348 1HG LYS 45 2HG LYS 45 -16.536 -4.316 9.808 349 2HG LYS 45 1HG LYS 45 -18.144 -4.612 10.471 350 1HD LYS 45 2HD LYS 45 -18.896 -4.932 8.027 351 2HD LYS 45 1HD LYS 45 -17.178 -5.038 7.641 352 1HE LYS 45 2HE LYS 45 -16.908 -6.913 9.181 353 2HE LYS 45 1HE LYS 45 -18.589 -6.770 9.693 354 1HZ LYS 45 2HZ LYS 45 -18.052 -7.072 6.836 355 2HZ LYS 45 1HZ LYS 45 -17.857 -8.442 7.822 356 3HZ LYS 45 3HZ LYS 45 -19.355 -7.649 7.761 357 H MET 46 H MET 46 -19.243 -0.119 10.104 358 HA MET 46 HA MET 46 -17.680 1.690 8.398 359 1HB MET 46 2HB MET 46 -20.449 1.925 9.617 360 2HB MET 46 1HB MET 46 -19.742 3.114 8.523 361 1HG MET 46 2HG MET 46 -19.459 1.308 6.817 362 2HG MET 46 1HG MET 46 -20.293 0.196 7.902 363 1HE MET 46 2HE MET 46 -20.167 3.546 6.583 364 2HE MET 46 1HE MET 46 -21.263 3.351 5.217 365 3HE MET 46 3HE MET 46 -21.798 4.206 6.671 366 H ILE 47 H ILE 47 -18.675 1.409 11.748 367 HA ILE 47 HA ILE 47 -17.813 4.106 12.468 368 HB ILE 47 HB ILE 47 -18.265 1.745 14.313 369 1HG1 ILE 47 2HG1 ILE 47 -20.303 3.784 13.375 370 2HG1 ILE 47 1HG1 ILE 47 -20.193 2.140 12.744 371 1HG2 ILE 47 1HG2 ILE 47 -17.914 4.685 14.607 372 2HG2 ILE 47 3HG2 ILE 47 -19.135 3.930 15.632 373 3HG2 ILE 47 2HG2 ILE 47 -17.459 3.382 15.705 374 1HD1 ILE 47 1HD1 ILE 47 -20.173 2.004 15.603 375 2HD1 ILE 47 3HD1 ILE 47 -21.522 3.028 15.109 376 3HD1 ILE 47 2HD1 ILE 47 -21.391 1.382 14.490 377 H LEU 48 H LEU 48 -16.357 0.970 12.134 378 HA LEU 48 HA LEU 48 -14.083 1.384 13.854 379 1HB LEU 48 2HB LEU 48 -14.982 -0.791 12.639 380 2HB LEU 48 1HB LEU 48 -13.898 -0.266 11.353 381 HG LEU 48 HG LEU 48 -12.559 -1.682 12.695 382 1HD1 LEU 48 2HD1 LEU 48 -11.548 0.571 12.221 383 2HD1 LEU 48 1HD1 LEU 48 -12.068 1.088 13.824 384 3HD1 LEU 48 3HD1 LEU 48 -10.889 -0.212 13.657 385 1HD2 LEU 48 3HD2 LEU 48 -14.062 -0.401 14.955 386 2HD2 LEU 48 2HD2 LEU 48 -13.782 -2.112 14.629 387 3HD2 LEU 48 1HD2 LEU 48 -12.477 -1.111 15.265 388 H GLU 49 H GLU 49 -14.722 2.057 10.428 389 HA GLU 49 HA GLU 49 -12.040 2.956 9.837 390 1HB GLU 49 2HB GLU 49 -14.653 3.643 8.455 391 2HB GLU 49 1HB GLU 49 -13.038 3.888 7.789 392 1HG GLU 49 2HG GLU 49 -12.616 1.475 7.857 393 2HG GLU 49 1HG GLU 49 -14.192 1.202 8.601 394 H LYS 50 H LYS 50 -14.932 4.508 11.107 395 HA LYS 50 HA LYS 50 -14.299 7.219 10.717 396 1HB LYS 50 2HB LYS 50 -15.587 5.886 13.118 397 2HB LYS 50 1HB LYS 50 -15.580 7.626 12.833 398 1HG LYS 50 2HG LYS 50 -16.683 7.194 10.613 399 2HG LYS 50 1HG LYS 50 -16.828 5.497 11.071 400 1HD LYS 50 2HD LYS 50 -18.085 6.222 13.120 401 2HD LYS 50 1HD LYS 50 -18.049 7.875 12.505 402 1HE LYS 50 2HE LYS 50 -19.309 7.233 10.537 403 2HE LYS 50 1HE LYS 50 -19.203 5.527 10.972 404 1HZ LYS 50 3HZ LYS 50 -20.465 6.010 12.984 405 2HZ LYS 50 2HZ LYS 50 -20.590 7.642 12.529 406 3HZ LYS 50 1HZ LYS 50 -21.339 6.437 11.595 407 H GLU 51 H GLU 51 -13.039 4.941 13.116 408 HA GLU 51 HA GLU 51 -11.661 6.807 14.762 409 1HB GLU 51 2HB GLU 51 -11.970 4.376 15.286 410 2HB GLU 51 1HB GLU 51 -10.770 3.996 14.051 411 1HG GLU 51 2HG GLU 51 -9.129 5.439 15.273 412 2HG GLU 51 1HG GLU 51 -10.329 5.664 16.546 413 H ALA 52 H ALA 52 -10.854 5.421 11.630 414 HA ALA 52 HA ALA 52 -8.085 6.203 11.613 415 1HB ALA 52 2HB ALA 52 -9.734 4.765 9.923 416 2HB ALA 52 3HB ALA 52 -8.079 5.251 9.554 417 3HB ALA 52 1HB ALA 52 -9.432 6.239 9.003 418 H LYS 53 H LYS 53 -11.081 7.891 10.916 419 HA LYS 53 HA LYS 53 -11.489 10.141 10.388 420 1HB LYS 53 2HB LYS 53 -8.733 10.445 11.622 421 2HB LYS 53 1HB LYS 53 -9.861 11.766 11.314 422 1HG LYS 53 2HG LYS 53 -11.526 10.643 12.789 423 2HG LYS 53 1HG LYS 53 -10.333 9.394 13.146 424 1HD LYS 53 2HD LYS 53 -8.800 11.157 14.018 425 2HD LYS 53 1HD LYS 53 -10.061 12.357 13.738 426 1HE LYS 53 2HE LYS 53 -10.692 9.913 15.365 427 2HE LYS 53 1HE LYS 53 -9.819 11.249 16.115 428 1HZ LYS 53 3HZ LYS 53 -11.800 12.514 14.807 429 2HZ LYS 53 2HZ LYS 53 -12.576 11.082 15.290 430 3HZ LYS 53 1HZ LYS 53 -11.847 12.089 16.448 431 H SER 54 H SER 54 -10.717 8.714 8.194 432 HA SER 54 HA SER 54 -8.386 9.639 6.836 433 1HB SER 54 2HB SER 54 -11.023 8.790 5.602 434 2HB SER 54 1HB SER 54 -9.449 8.800 4.807 435 HG SER 54 HG SER 54 -8.839 7.375 6.673 436 H GLN 55 H GLN 55 -11.565 11.052 7.265 437 HA GLN 55 HA GLN 55 -10.625 13.420 5.697 438 1HB GLN 55 2HB GLN 55 -12.436 12.165 4.517 439 2HB GLN 55 1HB GLN 55 -13.481 12.422 5.914 440 1HG GLN 55 2HG GLN 55 -13.268 14.861 5.633 441 2HG GLN 55 1HG GLN 55 -12.204 14.614 4.248 442 1HE2 GLN 55 1HE2 GLN 55 -14.489 16.045 3.705 443 2HE2 GLN 55 2HE2 GLN 55 -15.617 15.096 2.864 No H/Q in entry = 443 Start of MODEL 10 1 H1 LYS 1 1H LYS 1 0.584 -0.625 16.799 2 H2 LYS 1 3H LYS 1 0.332 1.050 16.875 3 H3 LYS 1 2H LYS 1 -0.508 0.018 17.931 4 HA LYS 1 HA LYS 1 -1.980 -0.673 16.355 5 1HB LYS 1 2HB LYS 1 -1.076 2.065 15.410 6 2HB LYS 1 1HB LYS 1 -2.602 1.301 14.966 7 1HG LYS 1 2HG LYS 1 -3.186 1.160 17.393 8 2HG LYS 1 1HG LYS 1 -1.706 2.042 17.768 9 1HD LYS 1 2HD LYS 1 -2.506 3.911 16.310 10 2HD LYS 1 1HD LYS 1 -4.023 3.040 16.084 11 1HE LYS 1 2HE LYS 1 -3.216 3.308 18.902 12 2HE LYS 1 1HE LYS 1 -3.537 4.848 18.104 13 1HZ LYS 1 3HZ LYS 1 -5.649 3.807 17.287 14 2HZ LYS 1 2HZ LYS 1 -5.353 2.520 18.356 15 3HZ LYS 1 1HZ LYS 1 -5.582 4.093 18.957 16 H ASN 2 H ASN 2 1.078 0.357 14.931 17 HA ASN 2 HA ASN 2 2.157 -0.347 12.970 18 1HB ASN 2 2HB ASN 2 0.175 -2.636 13.174 19 2HB ASN 2 1HB ASN 2 1.635 -2.622 12.186 20 1HD2 ASN 2 1HD2 ASN 2 0.783 -4.242 14.711 21 2HD2 ASN 2 2HD2 ASN 2 2.118 -4.082 15.747 22 H GLU 3 H GLU 3 0.166 1.585 12.620 23 HA GLU 3 HA GLU 3 -1.817 0.933 10.678 24 1HB GLU 3 2HB GLU 3 -0.346 3.539 11.177 25 2HB GLU 3 1HB GLU 3 -1.772 3.380 10.150 26 1HG GLU 3 2HG GLU 3 -3.032 2.471 12.100 27 2HG GLU 3 1HG GLU 3 -1.613 2.741 13.112 28 H ASP 4 H ASP 4 1.599 1.797 10.361 29 HA ASP 4 HA ASP 4 1.684 2.243 7.567 30 1HB ASP 4 2HB ASP 4 3.578 2.570 9.228 31 2HB ASP 4 1HB ASP 4 3.832 0.825 9.161 32 H GLN 5 H GLN 5 1.585 -0.755 9.415 33 HA GLN 5 HA GLN 5 2.258 -2.540 7.285 34 1HB GLN 5 2HB GLN 5 0.514 -2.928 9.735 35 2HB GLN 5 1HB GLN 5 0.987 -4.237 8.652 36 1HG GLN 5 2HG GLN 5 3.370 -3.727 9.087 37 2HG GLN 5 1HG GLN 5 2.887 -2.435 10.186 38 1HE2 GLN 5 1HE2 GLN 5 4.437 -4.571 11.192 39 2HE2 GLN 5 2HE2 GLN 5 3.479 -5.526 12.218 40 H GLU 6 H GLU 6 -0.853 -1.183 8.353 41 HA GLU 6 HA GLU 6 -2.521 -2.654 6.575 42 1HB GLU 6 2HB GLU 6 -3.340 -1.227 8.463 43 2HB GLU 6 1HB GLU 6 -2.919 0.201 7.518 44 1HG GLU 6 2HG GLU 6 -4.433 -0.609 5.701 45 2HG GLU 6 1HG GLU 6 -4.914 -1.948 6.743 46 H MET 7 H MET 7 -0.736 0.389 6.137 47 HA MET 7 HA MET 7 -1.767 0.992 3.534 48 1HB MET 7 2HB MET 7 0.898 1.682 4.808 49 2HB MET 7 1HB MET 7 0.302 2.383 3.304 50 1HG MET 7 2HG MET 7 -1.056 2.560 6.012 51 2HG MET 7 1HG MET 7 -0.206 3.871 5.193 52 1HE MET 7 3HE MET 7 -0.711 4.741 2.971 53 2HE MET 7 2HE MET 7 -1.098 3.272 2.078 54 3HE MET 7 1HE MET 7 -2.238 4.615 2.085 55 H CYS 8 H CYS 8 0.833 -1.100 4.654 56 HA CYS 8 HA CYS 8 2.186 -1.552 2.216 57 1HB CYS 8 2HB CYS 8 3.019 -2.456 4.324 58 2HB CYS 8 1HB CYS 8 1.595 -3.485 4.479 59 H HIS 9 H HIS 9 -0.787 -3.026 3.485 60 HA HIS 9 HA HIS 9 -1.233 -5.063 1.649 61 1HB HIS 9 2HB HIS 9 -2.858 -4.738 3.363 62 2HB HIS 9 1HB HIS 9 -3.154 -3.071 2.871 63 HD1 HIS 9 HD1 HIS 9 -4.158 -2.864 0.302 64 HD2 HIS 9 HD2 HIS 9 -4.651 -6.520 2.243 65 HE1 HIS 9 HE1 HIS 9 -5.987 -4.093 -0.942 66 H GLU 10 H GLU 10 -2.172 -1.635 1.192 67 HA GLU 10 HA GLU 10 -3.163 -1.836 -1.426 68 1HB GLU 10 2HB GLU 10 -1.613 0.410 -0.111 69 2HB GLU 10 1HB GLU 10 -2.424 0.565 -1.669 70 1HG GLU 10 2HG GLU 10 -4.557 -0.175 -0.531 71 2HG GLU 10 1HG GLU 10 -3.702 -0.060 1.007 72 H PHE 11 H PHE 11 0.185 -1.817 -0.317 73 HA PHE 11 HA PHE 11 1.217 -1.541 -3.052 74 1HB PHE 11 2HB PHE 11 2.292 -1.296 -0.408 75 2HB PHE 11 1HB PHE 11 3.230 -2.509 -1.280 76 HD1 PHE 11 HD1 PHE 11 3.010 -1.571 -4.061 77 HD2 PHE 11 HD2 PHE 11 3.647 0.653 -0.442 78 HE1 PHE 11 HE1 PHE 11 4.135 0.216 -5.355 79 HE2 PHE 11 HE2 PHE 11 4.766 2.441 -1.737 80 HZ PHE 11 HZ PHE 11 5.011 2.225 -4.195 81 H GLN 12 H GLN 12 -0.136 -4.037 -1.277 82 HA GLN 12 HA GLN 12 1.582 -6.217 -2.125 83 1HB GLN 12 2HB GLN 12 -1.306 -6.202 -1.191 84 2HB GLN 12 1HB GLN 12 -0.329 -7.653 -1.418 85 1HG GLN 12 2HG GLN 12 1.316 -6.755 0.232 86 2HG GLN 12 1HG GLN 12 0.246 -5.381 0.509 87 1HE2 GLN 12 1HE2 GLN 12 0.908 -7.217 2.618 88 2HE2 GLN 12 2HE2 GLN 12 -0.499 -8.064 3.046 89 H ALA 13 H ALA 13 -1.170 -4.521 -3.493 90 HA ALA 13 HA ALA 13 -1.793 -6.464 -5.528 91 1HB ALA 13 2HB ALA 13 -3.138 -4.358 -4.697 92 2HB ALA 13 1HB ALA 13 -2.207 -3.516 -5.937 93 3HB ALA 13 3HB ALA 13 -3.260 -4.859 -6.384 94 H PHE 14 H PHE 14 0.583 -3.903 -5.249 95 HA PHE 14 HA PHE 14 1.299 -4.039 -8.099 96 1HB PHE 14 2HB PHE 14 2.548 -2.593 -5.744 97 2HB PHE 14 1HB PHE 14 3.137 -2.472 -7.402 98 HD1 PHE 14 HD1 PHE 14 1.636 -1.540 -9.192 99 HD2 PHE 14 HD2 PHE 14 0.600 -1.408 -5.025 100 HE1 PHE 14 HE1 PHE 14 -0.068 0.197 -9.671 101 HE2 PHE 14 HE2 PHE 14 -1.105 0.328 -5.504 102 HZ PHE 14 HZ PHE 14 -1.439 1.131 -7.827 103 H MET 15 H MET 15 1.852 -6.003 -5.479 104 HA MET 15 HA MET 15 4.672 -6.605 -5.980 105 1HB MET 15 2HB MET 15 3.321 -6.885 -3.763 106 2HB MET 15 1HB MET 15 2.780 -8.403 -4.478 107 1HG MET 15 2HG MET 15 5.702 -7.638 -4.281 108 2HG MET 15 1HG MET 15 4.870 -8.555 -3.025 109 1HE MET 15 1HE MET 15 3.372 -10.291 -3.457 110 2HE MET 15 3HE MET 15 2.861 -10.643 -5.114 111 3HE MET 15 2HE MET 15 3.919 -11.762 -4.258 112 H LYS 16 H LYS 16 5.452 -8.195 -7.322 113 HA LYS 16 HA LYS 16 3.552 -10.198 -8.418 114 1HB LYS 16 2HB LYS 16 3.668 -8.206 -9.976 115 2HB LYS 16 1HB LYS 16 5.381 -8.562 -10.196 116 1HG LYS 16 2HG LYS 16 4.243 -9.648 -12.001 117 2HG LYS 16 1HG LYS 16 4.670 -10.922 -10.858 118 1HD LYS 16 2HD LYS 16 2.403 -10.828 -9.895 119 2HD LYS 16 1HD LYS 16 1.974 -9.539 -11.020 120 1HE LYS 16 2HE LYS 16 2.984 -11.472 -12.706 121 2HE LYS 16 1HE LYS 16 2.168 -12.439 -11.477 122 1HZ LYS 16 2HZ LYS 16 0.205 -10.977 -11.790 123 2HZ LYS 16 1HZ LYS 16 0.998 -10.255 -13.107 124 3HZ LYS 16 3HZ LYS 16 0.597 -11.902 -13.160 125 H ASN 17 H ASN 17 4.575 -12.154 -8.972 126 HA ASN 17 HA ASN 17 6.235 -13.801 -8.689 127 1HB ASN 17 2HB ASN 17 7.945 -11.561 -9.817 128 2HB ASN 17 1HB ASN 17 8.351 -13.277 -9.825 129 1HD2 ASN 17 1HD2 ASN 17 7.478 -11.084 -11.987 130 2HD2 ASN 17 2HD2 ASN 17 6.389 -11.961 -12.950 131 H GLY 18 H GLY 18 5.776 -11.867 -6.435 132 1HA GLY 18 1HA GLY 18 8.100 -12.647 -4.847 133 2HA GLY 18 2HA GLY 18 6.706 -11.736 -4.264 134 H LYS 19 H LYS 19 7.106 -9.864 -6.651 135 HA LYS 19 HA LYS 19 9.354 -8.300 -5.447 136 1HB LYS 19 2HB LYS 19 9.781 -9.299 -7.773 137 2HB LYS 19 1HB LYS 19 8.552 -8.178 -8.360 138 1HG LYS 19 2HG LYS 19 10.284 -6.674 -6.695 139 2HG LYS 19 1HG LYS 19 11.316 -7.652 -7.739 140 1HD LYS 19 2HD LYS 19 9.598 -6.856 -9.605 141 2HD LYS 19 1HD LYS 19 9.341 -5.526 -8.475 142 1HE LYS 19 2HE LYS 19 12.176 -6.196 -8.889 143 2HE LYS 19 1HE LYS 19 11.359 -5.629 -10.345 144 1HZ LYS 19 3HZ LYS 19 11.222 -4.232 -7.733 145 2HZ LYS 19 2HZ LYS 19 12.341 -3.842 -8.950 146 3HZ LYS 19 1HZ LYS 19 10.676 -3.661 -9.233 147 H LEU 20 H LEU 20 8.677 -6.357 -4.670 148 HA LEU 20 HA LEU 20 5.936 -5.467 -5.191 149 1HB LEU 20 2HB LEU 20 6.773 -5.161 -2.951 150 2HB LEU 20 1HB LEU 20 8.200 -4.311 -3.542 151 HG LEU 20 HG LEU 20 6.621 -2.574 -4.520 152 1HD1 LEU 20 2HD1 LEU 20 4.714 -4.505 -3.496 153 2HD1 LEU 20 1HD1 LEU 20 4.437 -2.917 -2.782 154 3HD1 LEU 20 3HD1 LEU 20 4.432 -3.109 -4.536 155 1HD2 LEU 20 3HD2 LEU 20 6.598 -3.012 -1.517 156 2HD2 LEU 20 2HD2 LEU 20 7.843 -2.162 -2.433 157 3HD2 LEU 20 1HD2 LEU 20 6.217 -1.489 -2.320 158 H PHE 21 H PHE 21 5.538 -4.449 -7.102 159 HA PHE 21 HA PHE 21 7.662 -2.885 -8.416 160 1HB PHE 21 2HB PHE 21 4.824 -3.602 -9.193 161 2HB PHE 21 1HB PHE 21 5.839 -2.534 -10.163 162 HD1 PHE 21 HD1 PHE 21 5.912 -5.898 -8.507 163 HD2 PHE 21 HD2 PHE 21 7.256 -3.456 -11.775 164 HE1 PHE 21 HE1 PHE 21 7.018 -7.870 -9.526 165 HE2 PHE 21 HE2 PHE 21 8.362 -5.428 -12.794 166 HZ PHE 21 HZ PHE 21 8.243 -7.635 -11.670 167 H CYS 22 H CYS 22 7.945 -0.786 -7.863 168 HA CYS 22 HA CYS 22 5.837 0.675 -6.441 169 1HB CYS 22 2HB CYS 22 8.568 0.779 -6.365 170 2HB CYS 22 1HB CYS 22 8.203 2.168 -7.387 171 HA PRO 23 HA PRO 23 4.225 2.142 -10.400 172 1HB PRO 23 2HB PRO 23 2.070 3.387 -9.357 173 2HB PRO 23 1HB PRO 23 2.144 1.640 -9.598 174 1HG PRO 23 2HG PRO 23 2.538 3.230 -7.099 175 2HG PRO 23 1HG PRO 23 1.689 1.699 -7.323 176 1HD PRO 23 1HD PRO 23 4.209 1.863 -6.303 177 2HD PRO 23 2HD PRO 23 3.627 0.464 -7.202 178 H GLN 24 H GLN 24 3.006 4.527 -10.715 179 HA GLN 24 HA GLN 24 5.181 6.420 -10.482 180 1HB GLN 24 2HB GLN 24 2.274 6.817 -11.252 181 2HB GLN 24 1HB GLN 24 3.535 8.037 -11.427 182 1HG GLN 24 2HG GLN 24 4.780 6.574 -12.944 183 2HG GLN 24 1HG GLN 24 3.587 5.294 -12.720 184 1HE2 GLN 24 1HE2 GLN 24 4.094 6.351 -15.320 185 2HE2 GLN 24 2HE2 GLN 24 2.725 7.212 -15.834 186 H ASP 25 H ASP 25 2.380 5.657 -8.540 187 HA ASP 25 HA ASP 25 1.725 6.471 -6.437 188 1HB ASP 25 2HB ASP 25 4.405 7.892 -6.495 189 2HB ASP 25 1HB ASP 25 3.417 7.573 -5.070 190 H LYS 26 H LYS 26 0.459 7.749 -8.362 191 HA LYS 26 HA LYS 26 0.985 10.561 -8.623 192 1HB LYS 26 2HB LYS 26 -1.550 8.945 -9.007 193 2HB LYS 26 1HB LYS 26 -1.409 10.654 -9.416 194 1HG LYS 26 2HG LYS 26 0.530 10.075 -10.904 195 2HG LYS 26 1HG LYS 26 0.212 8.370 -10.580 196 1HD LYS 26 2HD LYS 26 -2.161 8.777 -11.401 197 2HD LYS 26 1HD LYS 26 -1.614 10.360 -11.951 198 1HE LYS 26 2HE LYS 26 -0.238 9.461 -13.598 199 2HE LYS 26 1HE LYS 26 -0.049 7.928 -12.747 200 1HZ LYS 26 1HZ LYS 26 -2.580 8.860 -13.987 201 2HZ LYS 26 3HZ LYS 26 -1.495 7.781 -14.720 202 3HZ LYS 26 2HZ LYS 26 -2.291 7.341 -13.285 203 H LYS 27 H LYS 27 -0.818 8.653 -6.281 204 HA LYS 27 HA LYS 27 -1.942 11.069 -5.020 205 1HB LYS 27 2HB LYS 27 -2.034 8.236 -3.962 206 2HB LYS 27 1HB LYS 27 -3.125 9.568 -3.582 207 1HG LYS 27 2HG LYS 27 -4.402 9.152 -5.399 208 2HG LYS 27 1HG LYS 27 -2.989 9.066 -6.452 209 1HD LYS 27 2HD LYS 27 -2.648 6.739 -5.191 210 2HD LYS 27 1HD LYS 27 -4.392 6.878 -4.973 211 1HE LYS 27 2HE LYS 27 -4.788 6.406 -7.147 212 2HE LYS 27 1HE LYS 27 -3.573 7.564 -7.690 213 1HZ LYS 27 2HZ LYS 27 -2.559 5.142 -6.453 214 2HZ LYS 27 1HZ LYS 27 -3.315 4.935 -7.960 215 3HZ LYS 27 3HZ LYS 27 -1.994 5.989 -7.813 216 HA PRO 28 HA PRO 28 1.800 11.468 -2.542 217 1HB PRO 28 2HB PRO 28 0.976 13.635 -1.151 218 2HB PRO 28 1HB PRO 28 1.580 13.728 -2.807 219 1HG PRO 28 2HG PRO 28 -1.247 13.701 -1.819 220 2HG PRO 28 1HG PRO 28 -0.518 14.711 -3.071 221 1HD PRO 28 1HD PRO 28 -2.007 12.536 -3.669 222 2HD PRO 28 2HD PRO 28 -0.646 13.044 -4.670 223 H ILE 29 H ILE 29 2.302 10.591 -0.574 224 HA ILE 29 HA ILE 29 0.136 10.355 1.461 225 HB ILE 29 HB ILE 29 1.570 8.202 0.044 226 1HG1 ILE 29 2HG1 ILE 29 -0.928 8.609 0.194 227 2HG1 ILE 29 1HG1 ILE 29 -0.413 6.968 0.589 228 1HG2 ILE 29 2HG2 ILE 29 2.762 8.186 2.266 229 2HG2 ILE 29 1HG2 ILE 29 1.199 7.931 3.041 230 3HG2 ILE 29 3HG2 ILE 29 1.846 6.715 1.938 231 1HD1 ILE 29 1HD1 ILE 29 -0.281 8.532 2.978 232 2HD1 ILE 29 3HD1 ILE 29 -1.856 8.810 2.235 233 3HD1 ILE 29 2HD1 ILE 29 -1.345 7.168 2.628 234 H GLN 30 H GLN 30 0.865 11.331 3.304 235 HA GLN 30 HA GLN 30 3.729 11.857 3.626 236 1HB GLN 30 2HB GLN 30 1.552 12.321 5.678 237 2HB GLN 30 1HB GLN 30 3.113 13.133 5.551 238 1HG GLN 30 2HG GLN 30 2.400 14.051 3.333 239 2HG GLN 30 1HG GLN 30 0.808 13.335 3.588 240 1HE2 GLN 30 1HE2 GLN 30 1.649 16.268 3.460 241 2HE2 GLN 30 2HE2 GLN 30 1.071 16.942 4.907 242 H SER 31 H SER 31 4.782 9.904 3.977 243 HA SER 31 HA SER 31 3.701 7.919 5.824 244 1HB SER 31 2HB SER 31 5.280 6.531 4.967 245 2HB SER 31 1HB SER 31 5.414 7.769 3.718 246 HG SER 31 HG SER 31 7.155 8.632 4.759 247 H LEU 32 H LEU 32 5.879 7.052 7.242 248 HA LEU 32 HA LEU 32 6.367 9.355 9.085 249 1HB LEU 32 2HB LEU 32 6.249 6.390 9.716 250 2HB LEU 32 1HB LEU 32 6.490 7.684 10.886 251 HG LEU 32 HG LEU 32 4.264 8.633 10.195 252 1HD1 LEU 32 3HD1 LEU 32 4.448 6.318 8.347 253 2HD1 LEU 32 2HD1 LEU 32 2.882 6.554 9.122 254 3HD1 LEU 32 1HD1 LEU 32 3.590 7.846 8.152 255 1HD2 LEU 32 3HD2 LEU 32 4.610 7.089 12.162 256 2HD2 LEU 32 2HD2 LEU 32 2.981 7.039 11.487 257 3HD2 LEU 32 1HD2 LEU 32 4.128 5.751 11.118 258 H ASP 33 H ASP 33 7.864 6.908 7.157 259 HA ASP 33 HA ASP 33 10.379 6.779 8.566 260 1HB ASP 33 2HB ASP 33 9.622 5.072 6.913 261 2HB ASP 33 1HB ASP 33 9.829 6.264 5.629 262 H GLY 34 H GLY 34 8.970 9.352 7.002 263 1HA GLY 34 1HA GLY 34 11.620 10.648 6.663 264 2HA GLY 34 2HA GLY 34 10.077 11.493 6.808 265 H ILE 35 H ILE 35 9.117 9.219 4.857 266 HA ILE 35 HA ILE 35 10.087 10.592 2.379 267 HB ILE 35 HB ILE 35 9.001 7.801 2.291 268 1HG1 ILE 35 2HG1 ILE 35 11.880 8.445 2.988 269 2HG1 ILE 35 1HG1 ILE 35 10.690 7.879 4.160 270 1HG2 ILE 35 2HG2 ILE 35 9.587 9.124 0.246 271 2HG2 ILE 35 1HG2 ILE 35 11.256 9.187 0.812 272 3HG2 ILE 35 3HG2 ILE 35 10.522 7.637 0.401 273 1HD1 ILE 35 3HD1 ILE 35 11.121 6.338 1.614 274 2HD1 ILE 35 2HD1 ILE 35 12.243 6.133 2.958 275 3HD1 ILE 35 1HD1 ILE 35 10.532 5.762 3.173 276 H MET 36 H MET 36 8.466 10.755 0.663 277 HA MET 36 HA MET 36 5.733 11.035 1.793 278 1HB MET 36 2HB MET 36 7.027 12.039 -0.757 279 2HB MET 36 1HB MET 36 5.308 12.227 -0.411 280 1HG MET 36 2HG MET 36 5.928 13.386 1.728 281 2HG MET 36 1HG MET 36 7.618 13.311 1.228 282 1HE MET 36 3HE MET 36 7.778 15.537 1.694 283 2HE MET 36 2HE MET 36 7.512 16.849 0.549 284 3HE MET 36 1HE MET 36 6.244 16.418 1.693 285 H PHE 37 H PHE 37 4.694 9.079 1.671 286 HA PHE 37 HA PHE 37 3.588 7.277 0.676 287 1HB PHE 37 2HB PHE 37 2.918 8.888 -1.054 288 2HB PHE 37 1HB PHE 37 4.437 8.614 -1.906 289 HD1 PHE 37 HD1 PHE 37 4.998 6.101 -2.458 290 HD2 PHE 37 HD2 PHE 37 1.053 7.580 -1.619 291 HE1 PHE 37 HE1 PHE 37 4.019 4.128 -3.588 292 HE2 PHE 37 HE2 PHE 37 0.073 5.605 -2.751 293 HZ PHE 37 HZ PHE 37 1.555 3.877 -3.736 294 H ILE 38 H ILE 38 6.519 7.981 -1.244 295 HA ILE 38 HA ILE 38 7.265 5.479 -2.078 296 HB ILE 38 HB ILE 38 9.038 7.589 -0.816 297 1HG1 ILE 38 2HG1 ILE 38 8.322 6.892 -3.678 298 2HG1 ILE 38 1HG1 ILE 38 7.875 8.359 -2.808 299 1HG2 ILE 38 2HG2 ILE 38 10.009 5.230 -0.864 300 2HG2 ILE 38 1HG2 ILE 38 9.898 5.318 -2.621 301 3HG2 ILE 38 3HG2 ILE 38 10.929 6.449 -1.746 302 1HD1 ILE 38 3HD1 ILE 38 10.618 8.298 -2.499 303 2HD1 ILE 38 2HD1 ILE 38 10.406 7.665 -4.131 304 3HD1 ILE 38 1HD1 ILE 38 9.758 9.250 -3.708 305 H ASN 39 H ASN 39 7.239 6.643 1.235 306 HA ASN 39 HA ASN 39 8.837 4.652 2.468 307 1HB ASN 39 2HB ASN 39 7.658 6.708 3.533 308 2HB ASN 39 1HB ASN 39 6.264 5.639 3.689 309 1HD2 ASN 39 1HD2 ASN 39 6.450 5.560 6.061 310 2HD2 ASN 39 2HD2 ASN 39 7.716 4.712 6.809 311 H LYS 40 H LYS 40 5.270 4.646 2.071 312 HA LYS 40 HA LYS 40 4.718 2.064 2.931 313 1HB LYS 40 2HB LYS 40 3.544 3.345 0.443 314 2HB LYS 40 1HB LYS 40 2.807 2.065 1.407 315 1HG LYS 40 2HG LYS 40 3.423 4.887 2.338 316 2HG LYS 40 1HG LYS 40 1.822 4.218 2.022 317 1HD LYS 40 2HD LYS 40 2.252 2.498 3.795 318 2HD LYS 40 1HD LYS 40 3.770 3.316 4.164 319 1HE LYS 40 2HE LYS 40 1.119 4.770 4.179 320 2HE LYS 40 1HE LYS 40 1.750 3.958 5.611 321 1HZ LYS 40 2HZ LYS 40 3.767 5.531 4.409 322 2HZ LYS 40 1HZ LYS 40 2.392 6.487 4.699 323 3HZ LYS 40 3HZ LYS 40 3.120 5.640 5.976 324 H CYS 41 H CYS 41 6.278 3.110 -0.016 325 HA CYS 41 HA CYS 41 6.275 0.471 -1.276 326 1HB CYS 41 2HB CYS 41 6.473 2.870 -2.348 327 2HB CYS 41 1HB CYS 41 8.180 2.684 -1.976 328 H ALA 42 H ALA 42 8.589 2.514 0.473 329 HA ALA 42 HA ALA 42 10.747 0.574 0.299 330 1HB ALA 42 1HB ALA 42 12.032 2.193 1.281 331 2HB ALA 42 3HB ALA 42 10.690 3.229 0.795 332 3HB ALA 42 2HB ALA 42 10.782 2.622 2.449 333 H THR 43 H THR 43 8.052 1.067 2.446 334 HA THR 43 HA THR 43 9.301 -0.698 4.492 335 HB THR 43 HB THR 43 7.248 -0.104 5.833 336 HG1 THR 43 HG1 THR 43 5.733 0.562 4.506 337 1HG2 THR 43 2HG2 THR 43 9.549 1.374 5.316 338 2HG2 THR 43 1HG2 THR 43 8.247 2.553 5.165 339 3HG2 THR 43 3HG2 THR 43 8.432 1.630 6.656 340 H CYS 44 H CYS 44 6.308 -0.458 2.544 341 HA CYS 44 HA CYS 44 5.166 -2.920 3.328 342 1HB CYS 44 2HB CYS 44 4.004 -1.237 1.923 343 2HB CYS 44 1HB CYS 44 5.064 -1.650 0.575 344 H LYS 45 H LYS 45 7.907 -2.276 1.266 345 HA LYS 45 HA LYS 45 7.928 -4.778 -0.146 346 1HB LYS 45 2HB LYS 45 9.322 -2.722 -0.698 347 2HB LYS 45 1HB LYS 45 10.365 -3.166 0.654 348 1HG LYS 45 2HG LYS 45 10.836 -5.332 -0.378 349 2HG LYS 45 1HG LYS 45 9.715 -4.977 -1.692 350 1HD LYS 45 2HD LYS 45 11.116 -3.030 -2.334 351 2HD LYS 45 1HD LYS 45 12.252 -3.441 -1.049 352 1HE LYS 45 2HE LYS 45 12.618 -5.657 -2.103 353 2HE LYS 45 1HE LYS 45 11.516 -5.208 -3.404 354 1HZ LYS 45 1HZ LYS 45 13.048 -3.197 -3.674 355 2HZ LYS 45 3HZ LYS 45 14.169 -4.086 -2.762 356 3HZ LYS 45 2HZ LYS 45 13.601 -4.700 -4.241 357 H MET 46 H MET 46 9.692 -3.728 2.790 358 HA MET 46 HA MET 46 10.648 -6.427 3.318 359 1HB MET 46 2HB MET 46 10.538 -3.995 5.133 360 2HB MET 46 1HB MET 46 11.446 -5.474 5.451 361 1HG MET 46 2HG MET 46 12.724 -5.096 3.341 362 2HG MET 46 1HG MET 46 11.869 -3.569 3.128 363 1HE MET 46 3HE MET 46 13.590 -5.819 5.344 364 2HE MET 46 2HE MET 46 15.030 -4.968 5.896 365 3HE MET 46 1HE MET 46 13.556 -4.904 6.858 366 H ILE 47 H ILE 47 7.836 -4.539 4.145 367 HA ILE 47 HA ILE 47 6.997 -6.366 6.289 368 HB ILE 47 HB ILE 47 5.522 -4.108 4.896 369 1HG1 ILE 47 2HG1 ILE 47 6.822 -4.184 7.633 370 2HG1 ILE 47 1HG1 ILE 47 7.585 -3.484 6.205 371 1HG2 ILE 47 2HG2 ILE 47 4.833 -5.959 7.159 372 2HG2 ILE 47 1HG2 ILE 47 4.216 -4.306 7.171 373 3HG2 ILE 47 3HG2 ILE 47 3.813 -5.389 5.838 374 1HD1 ILE 47 1HD1 ILE 47 4.843 -2.634 7.161 375 2HD1 ILE 47 3HD1 ILE 47 6.323 -1.848 7.711 376 3HD1 ILE 47 2HD1 ILE 47 5.889 -1.812 6.002 377 H LEU 48 H LEU 48 6.548 -5.989 2.854 378 HA LEU 48 HA LEU 48 4.186 -7.714 2.731 379 1HB LEU 48 2HB LEU 48 4.579 -5.961 1.029 380 2HB LEU 48 1HB LEU 48 6.062 -6.776 0.536 381 HG LEU 48 HG LEU 48 4.869 -8.663 -0.295 382 1HD1 LEU 48 3HD1 LEU 48 2.622 -7.543 1.363 383 2HD1 LEU 48 2HD1 LEU 48 2.263 -8.603 -0.001 384 3HD1 LEU 48 1HD1 LEU 48 3.265 -9.186 1.329 385 1HD2 LEU 48 1HD2 LEU 48 3.311 -6.137 -0.927 386 2HD2 LEU 48 3HD2 LEU 48 4.728 -6.737 -1.789 387 3HD2 LEU 48 2HD2 LEU 48 3.210 -7.632 -1.856 388 H GLU 49 H GLU 49 7.623 -8.118 2.777 389 HA GLU 49 HA GLU 49 7.639 -10.747 1.518 390 1HB GLU 49 2HB GLU 49 9.663 -9.229 3.182 391 2HB GLU 49 1HB GLU 49 9.967 -10.849 2.555 392 1HG GLU 49 2HG GLU 49 9.536 -10.022 0.256 393 2HG GLU 49 1HG GLU 49 9.283 -8.399 0.899 394 H LYS 50 H LYS 50 7.261 -9.479 4.767 395 HA LYS 50 HA LYS 50 7.771 -11.849 6.252 396 1HB LYS 50 2HB LYS 50 5.759 -9.644 6.805 397 2HB LYS 50 1HB LYS 50 6.308 -10.838 7.981 398 1HG LYS 50 2HG LYS 50 8.630 -10.033 7.707 399 2HG LYS 50 1HG LYS 50 8.072 -8.830 6.545 400 1HD LYS 50 2HD LYS 50 6.601 -7.857 8.301 401 2HD LYS 50 1HD LYS 50 7.244 -9.024 9.457 402 1HE LYS 50 2HE LYS 50 9.539 -8.125 9.007 403 2HE LYS 50 1HE LYS 50 8.812 -6.887 7.982 404 1HZ LYS 50 2HZ LYS 50 7.489 -7.012 10.482 405 2HZ LYS 50 1HZ LYS 50 9.157 -6.797 10.719 406 3HZ LYS 50 3HZ LYS 50 8.290 -5.699 9.761 407 H GLU 51 H GLU 51 4.886 -10.751 4.514 408 HA GLU 51 HA GLU 51 3.060 -12.707 5.470 409 1HB GLU 51 2HB GLU 51 3.243 -11.407 2.734 410 2HB GLU 51 1HB GLU 51 1.855 -12.325 3.317 411 1HG GLU 51 2HG GLU 51 2.986 -9.838 4.636 412 2HG GLU 51 1HG GLU 51 1.534 -9.887 3.637 413 H ALA 52 H ALA 52 5.614 -12.887 3.055 414 HA ALA 52 HA ALA 52 4.851 -15.342 1.821 415 1HB ALA 52 3HB ALA 52 7.742 -14.706 2.304 416 2HB ALA 52 1HB ALA 52 6.795 -13.627 1.280 417 3HB ALA 52 2HB ALA 52 6.964 -15.329 0.848 418 H LYS 53 H LYS 53 6.374 -14.633 4.893 419 HA LYS 53 HA LYS 53 7.491 -17.188 5.460 420 1HB LYS 53 2HB LYS 53 6.263 -15.134 7.325 421 2HB LYS 53 1HB LYS 53 7.205 -16.526 7.860 422 1HG LYS 53 2HG LYS 53 9.110 -15.710 6.450 423 2HG LYS 53 1HG LYS 53 8.167 -14.267 6.078 424 1HD LYS 53 2HD LYS 53 8.011 -13.796 8.531 425 2HD LYS 53 1HD LYS 53 9.073 -15.172 8.828 426 1HE LYS 53 2HE LYS 53 10.286 -13.563 6.807 427 2HE LYS 53 1HE LYS 53 9.799 -12.493 8.121 428 1HZ LYS 53 2HZ LYS 53 11.032 -14.993 8.924 429 2HZ LYS 53 1HZ LYS 53 12.057 -13.899 8.125 430 3HZ LYS 53 3HZ LYS 53 11.250 -13.424 9.539 431 H SER 54 H SER 54 4.187 -15.963 5.730 432 HA SER 54 HA SER 54 3.079 -18.103 7.244 433 1HB SER 54 2HB SER 54 1.714 -16.547 5.028 434 2HB SER 54 1HB SER 54 0.927 -17.398 6.357 435 HG SER 54 HG SER 54 2.226 -15.962 7.745 436 H GLN 55 H GLN 55 3.927 -17.841 3.846 437 HA GLN 55 HA GLN 55 4.051 -20.643 3.435 438 1HB GLN 55 2HB GLN 55 1.579 -20.508 3.735 439 2HB GLN 55 1HB GLN 55 1.499 -19.398 2.367 440 1HG GLN 55 2HG GLN 55 2.456 -21.116 0.894 441 2HG GLN 55 1HG GLN 55 2.600 -22.224 2.259 442 1HE2 GLN 55 1HE2 GLN 55 1.057 -23.162 0.191 443 2HE2 GLN 55 2HE2 GLN 55 -0.595 -23.077 0.572 No H/Q in entry = 443 Start of MODEL 11 1 H1 LYS 1 3H LYS 1 -4.572 -6.018 -13.066 2 H2 LYS 1 2H LYS 1 -5.556 -6.414 -14.393 3 H3 LYS 1 1H LYS 1 -6.257 -6.086 -12.880 4 HA LYS 1 HA LYS 1 -6.276 -8.281 -12.578 5 1HB LYS 1 2HB LYS 1 -4.152 -8.380 -14.741 6 2HB LYS 1 1HB LYS 1 -4.877 -9.802 -13.991 7 1HG LYS 1 2HG LYS 1 -7.125 -8.984 -14.724 8 2HG LYS 1 1HG LYS 1 -6.329 -7.657 -15.570 9 1HD LYS 1 2HD LYS 1 -5.028 -9.335 -16.888 10 2HD LYS 1 1HD LYS 1 -5.944 -10.620 -16.099 11 1HE LYS 1 2HE LYS 1 -7.146 -10.285 -18.088 12 2HE LYS 1 1HE LYS 1 -8.039 -9.298 -16.931 13 1HZ LYS 1 3HZ LYS 1 -5.846 -8.213 -18.598 14 2HZ LYS 1 2HZ LYS 1 -7.468 -8.203 -19.102 15 3HZ LYS 1 1HZ LYS 1 -7.003 -7.351 -17.707 16 H ASN 2 H ASN 2 -4.832 -9.986 -11.551 17 HA ASN 2 HA ASN 2 -3.236 -10.523 -9.917 18 1HB ASN 2 2HB ASN 2 -1.600 -8.537 -11.526 19 2HB ASN 2 1HB ASN 2 -0.947 -9.645 -10.319 20 1HD2 ASN 2 1HD2 ASN 2 -0.134 -9.765 -13.076 21 2HD2 ASN 2 2HD2 ASN 2 -0.694 -11.228 -13.731 22 H GLU 3 H GLU 3 -5.110 -8.693 -9.051 23 HA GLU 3 HA GLU 3 -4.009 -6.252 -8.023 24 1HB GLU 3 2HB GLU 3 -6.355 -7.923 -7.074 25 2HB GLU 3 1HB GLU 3 -5.986 -6.304 -6.482 26 1HG GLU 3 2HG GLU 3 -6.140 -5.454 -8.823 27 2HG GLU 3 1HG GLU 3 -6.615 -7.069 -9.349 28 H ASP 4 H ASP 4 -4.226 -9.537 -6.703 29 HA ASP 4 HA ASP 4 -3.447 -9.013 -4.044 30 1HB ASP 4 2HB ASP 4 -2.471 -11.388 -5.644 31 2HB ASP 4 1HB ASP 4 -2.800 -11.312 -3.913 32 H GLN 5 H GLN 5 -1.495 -9.224 -6.979 33 HA GLN 5 HA GLN 5 1.076 -9.279 -5.765 34 1HB GLN 5 2HB GLN 5 0.148 -8.068 -8.385 35 2HB GLN 5 1HB GLN 5 1.843 -8.217 -7.922 36 1HG GLN 5 2HG GLN 5 1.552 -10.667 -7.688 37 2HG GLN 5 1HG GLN 5 -0.131 -10.506 -8.188 38 1HE2 GLN 5 1HE2 GLN 5 1.640 -12.094 -9.733 39 2HE2 GLN 5 2HE2 GLN 5 1.927 -11.321 -11.217 40 H GLU 6 H GLU 6 -1.043 -6.544 -6.614 41 HA GLU 6 HA GLU 6 0.758 -4.445 -5.995 42 1HB GLU 6 2HB GLU 6 -2.252 -4.568 -5.631 43 2HB GLU 6 1HB GLU 6 -1.294 -3.089 -5.554 44 1HG GLU 6 2HG GLU 6 -0.496 -3.513 -7.870 45 2HG GLU 6 1HG GLU 6 -1.518 -4.948 -7.942 46 H MET 7 H MET 7 -1.416 -6.312 -3.890 47 HA MET 7 HA MET 7 -1.015 -4.848 -1.497 48 1HB MET 7 2HB MET 7 -1.545 -7.791 -1.979 49 2HB MET 7 1HB MET 7 -1.514 -7.074 -0.367 50 1HG MET 7 2HG MET 7 -3.300 -5.511 -1.010 51 2HG MET 7 1HG MET 7 -3.311 -6.177 -2.643 52 1HE MET 7 3HE MET 7 -5.523 -6.426 -2.677 53 2HE MET 7 2HE MET 7 -6.467 -7.777 -2.053 54 3HE MET 7 1HE MET 7 -6.254 -6.331 -1.069 55 H CYS 8 H CYS 8 1.120 -6.971 -3.232 56 HA CYS 8 HA CYS 8 2.853 -7.711 -1.069 57 1HB CYS 8 2HB CYS 8 3.348 -7.393 -4.041 58 2HB CYS 8 1HB CYS 8 4.567 -7.999 -2.923 59 H HIS 9 H HIS 9 2.738 -4.885 -3.200 60 HA HIS 9 HA HIS 9 5.221 -3.718 -2.452 61 1HB HIS 9 2HB HIS 9 4.042 -2.782 -4.317 62 2HB HIS 9 1HB HIS 9 2.600 -2.494 -3.345 63 HD1 HIS 9 HD1 HIS 9 2.989 -0.724 -1.284 64 HD2 HIS 9 HD2 HIS 9 5.768 -0.618 -4.389 65 HE1 HIS 9 HE1 HIS 9 4.194 1.496 -1.091 66 H GLU 10 H GLU 10 1.955 -2.972 -1.168 67 HA GLU 10 HA GLU 10 2.803 -1.288 0.936 68 1HB GLU 10 2HB GLU 10 0.432 -3.174 0.820 69 2HB GLU 10 1HB GLU 10 0.645 -1.916 2.037 70 1HG GLU 10 2HG GLU 10 0.447 -1.490 -0.962 71 2HG GLU 10 1HG GLU 10 -0.788 -1.086 0.231 72 H PHE 11 H PHE 11 2.195 -4.819 1.033 73 HA PHE 11 HA PHE 11 3.061 -5.108 3.765 74 1HB PHE 11 2HB PHE 11 2.229 -6.857 1.575 75 2HB PHE 11 1HB PHE 11 3.530 -7.562 2.532 76 HD1 PHE 11 HD1 PHE 11 1.219 -5.124 4.020 77 HD2 PHE 11 HD2 PHE 11 2.048 -9.306 3.465 78 HE1 PHE 11 HE1 PHE 11 -0.403 -5.686 5.808 79 HE2 PHE 11 HE2 PHE 11 0.426 -9.861 5.245 80 HZ PHE 11 HZ PHE 11 -0.800 -8.055 6.422 81 H GLN 12 H GLN 12 4.785 -4.453 0.929 82 HA GLN 12 HA GLN 12 7.204 -5.931 1.470 83 1HB GLN 12 2HB GLN 12 6.579 -4.882 -0.745 84 2HB GLN 12 1HB GLN 12 6.950 -3.311 -0.035 85 1HG GLN 12 2HG GLN 12 9.239 -4.329 0.575 86 2HG GLN 12 1HG GLN 12 8.825 -5.622 -0.551 87 1HE2 GLN 12 1HE2 GLN 12 7.304 -3.788 -2.358 88 2HE2 GLN 12 2HE2 GLN 12 8.472 -2.859 -3.166 89 H ALA 13 H ALA 13 6.017 -2.728 2.418 90 HA ALA 13 HA ALA 13 8.509 -1.868 3.605 91 1HB ALA 13 3HB ALA 13 7.387 0.063 4.042 92 2HB ALA 13 1HB ALA 13 6.022 -0.786 4.767 93 3HB ALA 13 2HB ALA 13 6.133 -0.630 3.014 94 H PHE 14 H PHE 14 5.778 -3.771 4.712 95 HA PHE 14 HA PHE 14 6.701 -3.695 7.512 96 1HB PHE 14 2HB PHE 14 4.469 -5.250 6.169 97 2HB PHE 14 1HB PHE 14 4.782 -5.233 7.904 98 HD1 PHE 14 HD1 PHE 14 4.592 -3.083 9.185 99 HD2 PHE 14 HD2 PHE 14 3.367 -3.424 5.081 100 HE1 PHE 14 HE1 PHE 14 3.287 -0.985 9.400 101 HE2 PHE 14 HE2 PHE 14 2.061 -1.326 5.297 102 HZ PHE 14 HZ PHE 14 2.021 -0.107 7.457 103 H MET 15 H MET 15 7.822 -5.206 4.842 104 HA MET 15 HA MET 15 8.173 -7.888 6.009 105 1HB MET 15 2HB MET 15 7.856 -7.338 3.497 106 2HB MET 15 1HB MET 15 9.552 -6.853 3.533 107 1HG MET 15 2HG MET 15 8.705 -9.515 4.657 108 2HG MET 15 1HG MET 15 8.974 -9.325 2.924 109 1HE MET 15 1HE MET 15 10.648 -7.842 2.141 110 2HE MET 15 3HE MET 15 12.167 -7.383 2.923 111 3HE MET 15 2HE MET 15 12.058 -8.891 2.018 112 H LYS 16 H LYS 16 10.059 -8.604 6.978 113 HA LYS 16 HA LYS 16 12.467 -6.870 6.850 114 1HB LYS 16 2HB LYS 16 11.129 -7.759 9.422 115 2HB LYS 16 1HB LYS 16 12.720 -7.004 9.326 116 1HG LYS 16 2HG LYS 16 11.598 -5.063 8.125 117 2HG LYS 16 1HG LYS 16 10.052 -5.791 8.563 118 1HD LYS 16 2HD LYS 16 10.792 -5.752 10.966 119 2HD LYS 16 1HD LYS 16 12.224 -4.855 10.460 120 1HE LYS 16 2HE LYS 16 9.330 -3.992 10.249 121 2HE LYS 16 1HE LYS 16 10.622 -3.217 11.165 122 1HZ LYS 16 3HZ LYS 16 11.744 -3.048 8.858 123 2HZ LYS 16 2HZ LYS 16 10.166 -3.248 8.260 124 3HZ LYS 16 1HZ LYS 16 10.532 -1.938 9.277 125 H ASN 17 H ASN 17 14.401 -8.039 7.131 126 HA ASN 17 HA ASN 17 15.708 -9.985 6.874 127 1HB ASN 17 2HB ASN 17 13.872 -10.777 9.156 128 2HB ASN 17 1HB ASN 17 15.362 -11.618 8.729 129 1HD2 ASN 17 1HD2 ASN 17 14.978 -10.309 11.290 130 2HD2 ASN 17 2HD2 ASN 17 16.074 -9.015 11.378 131 H GLY 18 H GLY 18 13.092 -9.826 5.351 132 1HA GLY 18 1HA GLY 18 13.119 -12.591 4.402 133 2HA GLY 18 2HA GLY 18 12.147 -11.277 3.737 134 H LYS 19 H LYS 19 11.067 -10.560 6.394 135 HA LYS 19 HA LYS 19 9.028 -12.719 6.558 136 1HB LYS 19 2HB LYS 19 10.890 -12.896 8.365 137 2HB LYS 19 1HB LYS 19 10.138 -11.463 9.062 138 1HG LYS 19 2HG LYS 19 8.008 -13.203 8.470 139 2HG LYS 19 1HG LYS 19 9.259 -14.225 9.176 140 1HD LYS 19 2HD LYS 19 9.461 -12.398 10.991 141 2HD LYS 19 1HD LYS 19 7.917 -11.803 10.381 142 1HE LYS 19 2HE LYS 19 6.870 -13.964 10.810 143 2HE LYS 19 1HE LYS 19 8.419 -14.649 11.302 144 1HZ LYS 19 2HZ LYS 19 7.762 -12.244 12.714 145 2HZ LYS 19 1HZ LYS 19 6.610 -13.470 12.950 146 3HZ LYS 19 3HZ LYS 19 8.240 -13.758 13.317 147 H LEU 20 H LEU 20 6.968 -11.887 6.819 148 HA LEU 20 HA LEU 20 6.660 -8.977 6.703 149 1HB LEU 20 2HB LEU 20 4.705 -11.286 6.746 150 2HB LEU 20 1HB LEU 20 4.174 -9.604 6.784 151 HG LEU 20 HG LEU 20 6.186 -10.153 4.733 152 1HD1 LEU 20 1HD1 LEU 20 4.073 -12.048 5.067 153 2HD1 LEU 20 3HD1 LEU 20 3.732 -11.101 3.619 154 3HD1 LEU 20 2HD1 LEU 20 5.262 -11.967 3.767 155 1HD2 LEU 20 3HD2 LEU 20 3.662 -8.632 5.103 156 2HD2 LEU 20 2HD2 LEU 20 5.181 -8.125 4.365 157 3HD2 LEU 20 1HD2 LEU 20 4.044 -9.119 3.451 158 H PHE 21 H PHE 21 5.723 -7.685 8.344 159 HA PHE 21 HA PHE 21 5.900 -8.891 11.040 160 1HB PHE 21 2HB PHE 21 6.058 -6.132 9.940 161 2HB PHE 21 1HB PHE 21 5.325 -6.294 11.537 162 HD1 PHE 21 HD1 PHE 21 7.999 -8.404 10.016 163 HD2 PHE 21 HD2 PHE 21 7.013 -5.458 12.983 164 HE1 PHE 21 HE1 PHE 21 10.250 -8.668 11.023 165 HE2 PHE 21 HE2 PHE 21 9.264 -5.720 13.990 166 HZ PHE 21 HZ PHE 21 10.882 -7.325 13.011 167 H CYS 22 H CYS 22 3.761 -9.573 9.250 168 HA CYS 22 HA CYS 22 1.324 -8.294 9.522 169 1HB CYS 22 2HB CYS 22 2.139 -11.146 9.397 170 2HB CYS 22 1HB CYS 22 0.502 -10.835 9.974 171 HA PRO 23 HA PRO 23 0.758 -7.950 13.947 172 1HB PRO 23 2HB PRO 23 -1.807 -7.102 13.896 173 2HB PRO 23 1HB PRO 23 -0.443 -6.054 13.499 174 1HG PRO 23 2HG PRO 23 -2.317 -7.506 11.671 175 2HG PRO 23 1HG PRO 23 -1.695 -5.858 11.545 176 1HD PRO 23 2HD PRO 23 -0.676 -7.905 10.093 177 2HD PRO 23 1HD PRO 23 0.311 -6.547 10.634 178 H GLN 24 H GLN 24 -0.137 -9.246 15.563 179 HA GLN 24 HA GLN 24 -1.156 -11.823 14.838 180 1HB GLN 24 2HB GLN 24 -1.223 -10.348 17.487 181 2HB GLN 24 1HB GLN 24 -1.635 -12.051 17.285 182 1HG GLN 24 2HG GLN 24 0.612 -12.528 16.444 183 2HG GLN 24 1HG GLN 24 1.032 -10.817 16.532 184 1HE2 GLN 24 1HE2 GLN 24 2.511 -12.771 18.012 185 2HE2 GLN 24 2HE2 GLN 24 2.218 -12.530 19.666 186 H ASP 25 H ASP 25 -2.714 -8.772 15.576 187 HA ASP 25 HA ASP 25 -5.341 -9.782 16.110 188 1HB ASP 25 2HB ASP 25 -4.432 -7.136 14.940 189 2HB ASP 25 1HB ASP 25 -6.086 -7.479 15.447 190 H LYS 26 H LYS 26 -7.107 -10.098 14.690 191 HA LYS 26 HA LYS 26 -6.395 -10.991 12.018 192 1HB LYS 26 2HB LYS 26 -8.202 -12.030 13.426 193 2HB LYS 26 1HB LYS 26 -9.162 -10.570 13.185 194 1HG LYS 26 2HG LYS 26 -9.018 -10.920 10.722 195 2HG LYS 26 1HG LYS 26 -8.144 -12.425 11.011 196 1HD LYS 26 2HD LYS 26 -10.095 -13.237 12.357 197 2HD LYS 26 1HD LYS 26 -10.969 -11.774 11.903 198 1HE LYS 26 2HE LYS 26 -11.274 -12.468 9.734 199 2HE LYS 26 1HE LYS 26 -9.740 -13.336 9.686 200 1HZ LYS 26 1HZ LYS 26 -12.102 -14.238 11.238 201 2HZ LYS 26 3HZ LYS 26 -11.735 -14.786 9.676 202 3HZ LYS 26 2HZ LYS 26 -10.665 -15.101 10.958 203 H LYS 27 H LYS 27 -6.697 -9.911 10.086 204 HA LYS 27 HA LYS 27 -7.830 -7.147 10.277 205 1HB LYS 27 2HB LYS 27 -5.352 -8.190 9.084 206 2HB LYS 27 1HB LYS 27 -6.280 -7.160 7.994 207 1HG LYS 27 2HG LYS 27 -6.290 -5.354 9.594 208 2HG LYS 27 1HG LYS 27 -5.603 -6.390 10.845 209 1HD LYS 27 2HD LYS 27 -3.584 -5.622 10.176 210 2HD LYS 27 1HD LYS 27 -3.797 -6.625 8.742 211 1HE LYS 27 2HE LYS 27 -5.214 -4.046 8.617 212 2HE LYS 27 1HE LYS 27 -3.459 -3.894 8.707 213 1HZ LYS 27 2HZ LYS 27 -3.345 -5.557 6.879 214 2HZ LYS 27 1HZ LYS 27 -5.032 -5.432 6.719 215 3HZ LYS 27 3HZ LYS 27 -4.052 -4.078 6.433 216 HA PRO 28 HA PRO 28 -10.768 -8.124 7.114 217 1HB PRO 28 2HB PRO 28 -10.677 -5.982 5.471 218 2HB PRO 28 1HB PRO 28 -11.386 -5.922 7.087 219 1HG PRO 28 2HG PRO 28 -8.677 -5.035 6.168 220 2HG PRO 28 1HG PRO 28 -9.798 -4.224 7.266 221 1HD PRO 28 2HD PRO 28 -7.668 -5.632 8.162 222 2HD PRO 28 1HD PRO 28 -9.177 -5.528 9.070 223 H ILE 29 H ILE 29 -8.748 -9.726 6.498 224 HA ILE 29 HA ILE 29 -8.240 -9.217 3.594 225 HB ILE 29 HB ILE 29 -6.212 -10.888 4.202 226 1HG1 ILE 29 2HG1 ILE 29 -5.234 -9.991 6.381 227 2HG1 ILE 29 1HG1 ILE 29 -6.834 -9.338 6.727 228 1HG2 ILE 29 2HG2 ILE 29 -6.500 -8.229 3.479 229 2HG2 ILE 29 1HG2 ILE 29 -5.520 -8.137 4.943 230 3HG2 ILE 29 3HG2 ILE 29 -4.971 -9.104 3.572 231 1HD1 ILE 29 3HD1 ILE 29 -7.178 -12.038 5.879 232 2HD1 ILE 29 2HD1 ILE 29 -5.894 -12.023 7.089 233 3HD1 ILE 29 1HD1 ILE 29 -7.480 -11.358 7.479 234 H GLN 30 H GLN 30 -7.896 -11.284 2.368 235 HA GLN 30 HA GLN 30 -9.175 -13.662 3.598 236 1HB GLN 30 2HB GLN 30 -10.947 -12.282 2.428 237 2HB GLN 30 1HB GLN 30 -10.071 -12.555 0.921 238 1HG GLN 30 2HG GLN 30 -10.333 -14.977 1.179 239 2HG GLN 30 1HG GLN 30 -11.124 -14.746 2.738 240 1HE2 GLN 30 1HE2 GLN 30 -12.618 -16.103 0.859 241 2HE2 GLN 30 2HE2 GLN 30 -13.841 -15.110 0.229 242 H SER 31 H SER 31 -7.931 -15.401 3.089 243 HA SER 31 HA SER 31 -5.790 -15.114 1.127 244 1HB SER 31 2HB SER 31 -6.156 -16.631 3.422 245 2HB SER 31 1HB SER 31 -6.270 -17.820 2.122 246 HG SER 31 HG SER 31 -4.250 -17.483 1.600 247 H LEU 32 H LEU 32 -5.660 -16.061 -0.865 248 HA LEU 32 HA LEU 32 -8.150 -16.867 -2.144 249 1HB LEU 32 2HB LEU 32 -5.278 -16.765 -3.112 250 2HB LEU 32 1HB LEU 32 -6.642 -17.204 -4.140 251 HG LEU 32 HG LEU 32 -7.702 -15.009 -3.590 252 1HD1 LEU 32 3HD1 LEU 32 -5.128 -14.704 -2.052 253 2HD1 LEU 32 2HD1 LEU 32 -5.993 -13.291 -2.655 254 3HD1 LEU 32 1HD1 LEU 32 -6.776 -14.383 -1.513 255 1HD2 LEU 32 2HD2 LEU 32 -5.996 -15.499 -5.533 256 2HD2 LEU 32 1HD2 LEU 32 -6.477 -13.835 -5.201 257 3HD2 LEU 32 3HD2 LEU 32 -4.932 -14.441 -4.606 258 H ASP 33 H ASP 33 -5.454 -18.453 -0.650 259 HA ASP 33 HA ASP 33 -5.735 -21.008 -1.955 260 1HB ASP 33 2HB ASP 33 -4.515 -20.166 0.682 261 2HB ASP 33 1HB ASP 33 -4.503 -21.838 0.124 262 H GLY 34 H GLY 34 -7.783 -19.356 0.129 263 1HA GLY 34 1HA GLY 34 -9.184 -21.900 0.800 264 2HA GLY 34 2HA GLY 34 -9.963 -20.321 0.677 265 H ILE 35 H ILE 35 -7.425 -19.286 2.166 266 HA ILE 35 HA ILE 35 -8.214 -20.236 4.890 267 HB ILE 35 HB ILE 35 -5.696 -18.697 4.263 268 1HG1 ILE 35 2HG1 ILE 35 -5.289 -21.559 4.508 269 2HG1 ILE 35 1HG1 ILE 35 -6.329 -21.193 3.133 270 1HG2 ILE 35 2HG2 ILE 35 -6.854 -19.547 6.616 271 2HG2 ILE 35 1HG2 ILE 35 -5.720 -20.852 6.265 272 3HG2 ILE 35 3HG2 ILE 35 -5.139 -19.192 6.407 273 1HD1 ILE 35 3HD1 ILE 35 -4.610 -19.398 2.502 274 2HD1 ILE 35 2HD1 ILE 35 -3.544 -20.154 3.687 275 3HD1 ILE 35 1HD1 ILE 35 -4.100 -21.073 2.289 276 H MET 36 H MET 36 -8.635 -18.664 6.507 277 HA MET 36 HA MET 36 -9.443 -16.020 5.431 278 1HB MET 36 2HB MET 36 -9.924 -17.354 8.116 279 2HB MET 36 1HB MET 36 -10.528 -15.758 7.674 280 1HG MET 36 2HG MET 36 -11.718 -16.791 5.735 281 2HG MET 36 1HG MET 36 -11.187 -18.377 6.294 282 1HE MET 36 2HE MET 36 -13.306 -19.123 6.112 283 2HE MET 36 1HE MET 36 -14.507 -19.124 7.400 284 3HE MET 36 3HE MET 36 -14.558 -17.884 6.139 285 H PHE 37 H PHE 37 -6.588 -16.884 5.977 286 HA PHE 37 HA PHE 37 -5.850 -15.078 8.205 287 1HB PHE 37 2HB PHE 37 -4.745 -17.277 8.083 288 2HB PHE 37 1HB PHE 37 -4.142 -16.887 6.472 289 HD1 PHE 37 HD1 PHE 37 -3.855 -16.152 10.073 290 HD2 PHE 37 HD2 PHE 37 -2.362 -15.250 6.148 291 HE1 PHE 37 HE1 PHE 37 -1.907 -14.994 11.080 292 HE2 PHE 37 HE2 PHE 37 -0.415 -14.091 7.155 293 HZ PHE 37 HZ PHE 37 -0.186 -13.964 9.621 294 H ILE 38 H ILE 38 -3.958 -13.566 7.771 295 HA ILE 38 HA ILE 38 -4.577 -11.653 5.821 296 HB ILE 38 HB ILE 38 -1.795 -12.275 6.856 297 1HG1 ILE 38 2HG1 ILE 38 -3.934 -10.449 7.998 298 2HG1 ILE 38 1HG1 ILE 38 -3.482 -12.014 8.674 299 1HG2 ILE 38 3HG2 ILE 38 -2.022 -10.686 4.903 300 2HG2 ILE 38 2HG2 ILE 38 -3.014 -9.656 5.936 301 3HG2 ILE 38 1HG2 ILE 38 -1.326 -9.957 6.351 302 1HD1 ILE 38 1HD1 ILE 38 -1.140 -11.181 8.926 303 2HD1 ILE 38 3HD1 ILE 38 -1.675 -9.598 8.363 304 3HD1 ILE 38 2HD1 ILE 38 -2.298 -10.252 9.877 305 H ASN 39 H ASN 39 -4.945 -12.429 3.760 306 HA ASN 39 HA ASN 39 -3.509 -14.408 2.374 307 1HB ASN 39 2HB ASN 39 -5.635 -13.349 1.609 308 2HB ASN 39 1HB ASN 39 -4.722 -11.910 1.167 309 1HD2 ASN 39 1HD2 ASN 39 -3.981 -15.418 0.727 310 2HD2 ASN 39 2HD2 ASN 39 -3.745 -15.308 -0.948 311 H LYS 40 H LYS 40 -2.776 -10.962 2.750 312 HA LYS 40 HA LYS 40 -0.727 -10.816 0.801 313 1HB LYS 40 2HB LYS 40 -1.036 -9.324 3.417 314 2HB LYS 40 1HB LYS 40 0.124 -8.892 2.160 315 1HG LYS 40 2HG LYS 40 -1.801 -8.706 0.550 316 2HG LYS 40 1HG LYS 40 -2.896 -8.945 1.912 317 1HD LYS 40 2HD LYS 40 -0.805 -6.752 1.815 318 2HD LYS 40 1HD LYS 40 -2.481 -6.521 1.315 319 1HE LYS 40 2HE LYS 40 -1.944 -7.734 4.002 320 2HE LYS 40 1HE LYS 40 -1.730 -5.995 3.805 321 1HZ LYS 40 1HZ LYS 40 -4.166 -7.222 2.742 322 2HZ LYS 40 3HZ LYS 40 -4.047 -7.017 4.421 323 3HZ LYS 40 2HZ LYS 40 -3.929 -5.670 3.391 324 H CYS 41 H CYS 41 -0.544 -11.629 4.260 325 HA CYS 41 HA CYS 41 2.311 -12.216 4.121 326 1HB CYS 41 2HB CYS 41 0.155 -12.436 6.181 327 2HB CYS 41 1HB CYS 41 1.585 -13.447 6.381 328 H ALA 42 H ALA 42 -0.674 -13.942 3.646 329 HA ALA 42 HA ALA 42 0.526 -16.598 3.829 330 1HB ALA 42 2HB ALA 42 -2.043 -16.152 2.386 331 2HB ALA 42 1HB ALA 42 -1.618 -17.392 3.566 332 3HB ALA 42 3HB ALA 42 -2.001 -15.757 4.104 333 H THR 43 H THR 43 -0.253 -14.302 1.246 334 HA THR 43 HA THR 43 0.990 -16.229 -0.677 335 HB THR 43 HB THR 43 -0.338 -14.894 -2.420 336 HG1 THR 43 HG1 THR 43 -1.065 -13.157 -1.400 337 1HG2 THR 43 1HG2 THR 43 -0.920 -17.186 -1.520 338 2HG2 THR 43 3HG2 THR 43 -1.990 -16.387 -0.369 339 3HG2 THR 43 2HG2 THR 43 -2.300 -16.253 -2.100 340 H CYS 44 H CYS 44 0.410 -12.691 -0.348 341 HA CYS 44 HA CYS 44 2.444 -11.834 -2.067 342 1HB CYS 44 2HB CYS 44 0.974 -10.662 0.181 343 2HB CYS 44 1HB CYS 44 2.590 -9.988 -0.011 344 H LYS 45 H LYS 45 2.713 -13.166 1.170 345 HA LYS 45 HA LYS 45 5.303 -12.324 1.880 346 1HB LYS 45 2HB LYS 45 3.920 -13.679 3.383 347 2HB LYS 45 1HB LYS 45 4.036 -15.053 2.284 348 1HG LYS 45 2HG LYS 45 6.418 -15.229 2.649 349 2HG LYS 45 1HG LYS 45 6.440 -13.717 3.556 350 1HD LYS 45 2HD LYS 45 4.766 -14.865 5.150 351 2HD LYS 45 1HD LYS 45 5.246 -16.369 4.365 352 1HE LYS 45 2HE LYS 45 7.495 -14.637 5.172 353 2HE LYS 45 1HE LYS 45 6.544 -15.273 6.514 354 1HZ LYS 45 2HZ LYS 45 6.784 -17.498 5.516 355 2HZ LYS 45 1HZ LYS 45 7.820 -16.841 4.341 356 3HZ LYS 45 3HZ LYS 45 8.272 -16.818 5.975 357 H MET 46 H MET 46 4.452 -15.299 0.067 358 HA MET 46 HA MET 46 7.177 -15.882 -0.653 359 1HB MET 46 2HB MET 46 4.610 -16.709 -2.051 360 2HB MET 46 1HB MET 46 6.193 -17.458 -2.267 361 1HG MET 46 2HG MET 46 6.225 -18.092 0.115 362 2HG MET 46 1HG MET 46 4.650 -17.331 0.344 363 1HE MET 46 1HE MET 46 6.629 -19.279 -1.947 364 2HE MET 46 3HE MET 46 6.226 -20.918 -1.418 365 3HE MET 46 2HE MET 46 5.499 -20.256 -2.880 366 H ILE 47 H ILE 47 4.545 -14.095 -2.210 367 HA ILE 47 HA ILE 47 5.830 -13.609 -4.709 368 HB ILE 47 HB ILE 47 3.919 -11.804 -3.189 369 1HG1 ILE 47 2HG1 ILE 47 2.919 -13.987 -3.441 370 2HG1 ILE 47 1HG1 ILE 47 2.207 -12.935 -4.665 371 1HG2 ILE 47 3HG2 ILE 47 4.837 -11.929 -6.064 372 2HG2 ILE 47 2HG2 ILE 47 3.314 -11.164 -5.609 373 3HG2 ILE 47 1HG2 ILE 47 4.838 -10.540 -4.977 374 1HD1 ILE 47 2HD1 ILE 47 4.249 -13.837 -6.117 375 2HD1 ILE 47 1HD1 ILE 47 4.143 -15.192 -4.994 376 3HD1 ILE 47 3HD1 ILE 47 2.751 -14.757 -5.986 377 H LEU 48 H LEU 48 6.106 -12.079 -1.544 378 HA LEU 48 HA LEU 48 7.542 -9.743 -2.304 379 1HB LEU 48 2HB LEU 48 6.632 -10.544 0.041 380 2HB LEU 48 1HB LEU 48 8.239 -11.248 0.204 381 HG LEU 48 HG LEU 48 8.519 -9.109 1.130 382 1HD1 LEU 48 2HD1 LEU 48 10.172 -9.572 -0.686 383 2HD1 LEU 48 1HD1 LEU 48 9.142 -8.681 -1.806 384 3HD1 LEU 48 3HD1 LEU 48 9.888 -7.849 -0.442 385 1HD2 LEU 48 2HD2 LEU 48 6.310 -8.466 -0.640 386 2HD2 LEU 48 1HD2 LEU 48 6.826 -7.658 0.841 387 3HD2 LEU 48 3HD2 LEU 48 7.559 -7.221 -0.703 388 H GLU 49 H GLU 49 8.635 -13.055 -1.619 389 HA GLU 49 HA GLU 49 11.431 -12.597 -1.735 390 1HB GLU 49 2HB GLU 49 9.886 -15.029 -2.687 391 2HB GLU 49 1HB GLU 49 11.614 -14.985 -2.334 392 1HG GLU 49 2HG GLU 49 11.128 -14.378 0.004 393 2HG GLU 49 1HG GLU 49 9.399 -14.394 -0.345 394 H LYS 50 H LYS 50 9.053 -13.017 -4.319 395 HA LYS 50 HA LYS 50 10.721 -13.428 -6.527 396 1HB LYS 50 2HB LYS 50 8.206 -13.282 -6.575 397 2HB LYS 50 1HB LYS 50 8.359 -11.527 -6.484 398 1HG LYS 50 2HG LYS 50 9.697 -11.538 -8.560 399 2HG LYS 50 1HG LYS 50 9.539 -13.292 -8.652 400 1HD LYS 50 2HD LYS 50 7.065 -13.035 -8.757 401 2HD LYS 50 1HD LYS 50 7.267 -11.283 -8.749 402 1HE LYS 50 2HE LYS 50 7.632 -11.292 -10.970 403 2HE LYS 50 1HE LYS 50 8.983 -12.406 -10.760 404 1HZ LYS 50 3HZ LYS 50 6.254 -13.464 -10.607 405 2HZ LYS 50 2HZ LYS 50 6.889 -13.087 -12.137 406 3HZ LYS 50 1HZ LYS 50 7.676 -14.218 -11.143 407 H GLU 51 H GLU 51 9.965 -10.357 -4.891 408 HA GLU 51 HA GLU 51 11.294 -8.596 -6.651 409 1HB GLU 51 2HB GLU 51 9.912 -7.911 -4.671 410 2HB GLU 51 1HB GLU 51 11.246 -8.398 -3.624 411 1HG GLU 51 2HG GLU 51 12.730 -6.797 -4.834 412 2HG GLU 51 1HG GLU 51 11.340 -6.265 -5.780 413 H ALA 52 H ALA 52 12.593 -10.747 -4.174 414 HA ALA 52 HA ALA 52 15.242 -9.667 -4.093 415 1HB ALA 52 2HB ALA 52 15.499 -12.424 -3.693 416 2HB ALA 52 3HB ALA 52 13.868 -12.049 -3.134 417 3HB ALA 52 1HB ALA 52 15.254 -11.206 -2.442 418 H LYS 53 H LYS 53 13.618 -11.784 -6.364 419 HA LYS 53 HA LYS 53 15.898 -12.900 -7.652 420 1HB LYS 53 2HB LYS 53 13.188 -12.155 -8.793 421 2HB LYS 53 1HB LYS 53 14.383 -13.150 -9.624 422 1HG LYS 53 2HG LYS 53 14.332 -14.744 -7.701 423 2HG LYS 53 1HG LYS 53 13.052 -13.776 -6.971 424 1HD LYS 53 2HD LYS 53 11.674 -14.130 -9.028 425 2HD LYS 53 1HD LYS 53 12.933 -15.198 -9.648 426 1HE LYS 53 2HE LYS 53 12.393 -16.064 -7.010 427 2HE LYS 53 1HE LYS 53 10.825 -15.793 -7.769 428 1HZ LYS 53 3HZ LYS 53 12.321 -17.023 -9.696 429 2HZ LYS 53 2HZ LYS 53 12.749 -17.839 -8.268 430 3HZ LYS 53 1HZ LYS 53 11.120 -17.750 -8.744 431 H SER 54 H SER 54 14.331 -9.756 -7.973 432 HA SER 54 HA SER 54 15.637 -8.915 -10.371 433 1HB SER 54 2HB SER 54 15.027 -6.665 -9.715 434 2HB SER 54 1HB SER 54 13.706 -7.740 -9.256 435 HG SER 54 HG SER 54 14.314 -6.287 -7.579 436 H GLN 55 H GLN 55 16.745 -9.187 -7.074 437 HA GLN 55 HA GLN 55 18.867 -8.833 -6.138 438 1HB GLN 55 2HB GLN 55 19.658 -8.795 -9.067 439 2HB GLN 55 1HB GLN 55 20.791 -8.887 -7.718 440 1HG GLN 55 2HG GLN 55 19.777 -10.997 -6.983 441 2HG GLN 55 1HG GLN 55 18.587 -10.896 -8.281 442 1HE2 GLN 55 1HE2 GLN 55 20.347 -13.128 -8.135 443 2HE2 GLN 55 2HE2 GLN 55 21.434 -13.056 -9.436 No H/Q in entry = 443 Start of MODEL 12 1 H1 LYS 1 1H LYS 1 23.327 -4.708 -3.349 2 H2 LYS 1 3H LYS 1 24.127 -6.127 -3.822 3 H3 LYS 1 2H LYS 1 24.098 -4.782 -4.861 4 HA LYS 1 HA LYS 1 22.372 -5.755 -5.848 5 1HB LYS 1 2HB LYS 1 21.243 -7.690 -4.920 6 2HB LYS 1 1HB LYS 1 22.970 -7.859 -4.603 7 1HG LYS 1 2HG LYS 1 22.582 -6.862 -2.329 8 2HG LYS 1 1HG LYS 1 20.850 -6.899 -2.659 9 1HD LYS 1 2HD LYS 1 21.134 -9.394 -3.134 10 2HD LYS 1 1HD LYS 1 22.748 -9.246 -2.439 11 1HE LYS 1 2HE LYS 1 21.179 -7.967 -0.564 12 2HE LYS 1 1HE LYS 1 20.130 -9.278 -1.102 13 1HZ LYS 1 2HZ LYS 1 22.936 -9.898 -0.554 14 2HZ LYS 1 1HZ LYS 1 21.910 -9.633 0.774 15 3HZ LYS 1 3HZ LYS 1 21.551 -10.859 -0.341 16 H ASN 2 H ASN 2 20.049 -5.407 -5.904 17 HA ASN 2 HA ASN 2 18.122 -4.170 -5.397 18 1HB ASN 2 2HB ASN 2 19.044 -4.529 -2.531 19 2HB ASN 2 1HB ASN 2 17.405 -4.169 -3.074 20 1HD2 ASN 2 1HD2 ASN 2 17.169 -5.968 -5.251 21 2HD2 ASN 2 2HD2 ASN 2 17.262 -7.560 -4.669 22 H GLU 3 H GLU 3 20.354 -2.648 -6.110 23 HA GLU 3 HA GLU 3 21.026 -0.586 -4.246 24 1HB GLU 3 2HB GLU 3 22.264 -1.062 -6.375 25 2HB GLU 3 1HB GLU 3 20.912 -0.365 -7.268 26 1HG GLU 3 2HG GLU 3 21.215 1.760 -5.997 27 2HG GLU 3 1HG GLU 3 22.627 1.056 -5.208 28 H ASP 4 H ASP 4 18.336 -0.974 -6.496 29 HA ASP 4 HA ASP 4 17.327 1.664 -6.498 30 1HB ASP 4 2HB ASP 4 16.456 -0.304 -7.844 31 2HB ASP 4 1HB ASP 4 15.623 -0.838 -6.382 32 H GLN 5 H GLN 5 17.184 -0.822 -4.022 33 HA GLN 5 HA GLN 5 15.110 0.217 -2.402 34 1HB GLN 5 2HB GLN 5 16.342 -1.963 -2.052 35 2HB GLN 5 1HB GLN 5 17.679 -1.027 -1.384 36 1HG GLN 5 2HG GLN 5 16.204 -0.115 0.351 37 2HG GLN 5 1HG GLN 5 14.830 -0.979 -0.339 38 1HE2 GLN 5 1HE2 GLN 5 15.387 -1.591 2.287 39 2HE2 GLN 5 2HE2 GLN 5 16.130 -3.112 2.412 40 H GLU 6 H GLU 6 18.529 1.136 -2.623 41 HA GLU 6 HA GLU 6 18.578 2.917 -0.396 42 1HB GLU 6 2HB GLU 6 20.582 2.110 -1.708 43 2HB GLU 6 1HB GLU 6 20.123 3.240 -2.983 44 1HG GLU 6 2HG GLU 6 20.263 5.107 -1.356 45 2HG GLU 6 1HG GLU 6 20.766 3.967 -0.108 46 H MET 7 H MET 7 17.709 3.448 -3.808 47 HA MET 7 HA MET 7 17.343 6.272 -3.631 48 1HB MET 7 2HB MET 7 15.915 4.253 -5.390 49 2HB MET 7 1HB MET 7 15.906 5.999 -5.636 50 1HG MET 7 2HG MET 7 18.325 4.173 -5.707 51 2HG MET 7 1HG MET 7 17.604 5.022 -7.074 52 1HE MET 7 3HE MET 7 16.867 7.262 -6.824 53 2HE MET 7 2HE MET 7 17.343 8.406 -5.571 54 3HE MET 7 1HE MET 7 18.240 8.346 -7.087 55 H CYS 8 H CYS 8 15.359 3.591 -2.590 56 HA CYS 8 HA CYS 8 12.893 5.079 -2.357 57 1HB CYS 8 2HB CYS 8 13.842 2.540 -1.003 58 2HB CYS 8 1HB CYS 8 12.200 3.173 -0.884 59 H HIS 9 H HIS 9 15.731 4.736 -0.358 60 HA HIS 9 HA HIS 9 14.774 5.390 2.186 61 1HB HIS 9 2HB HIS 9 17.102 4.980 2.005 62 2HB HIS 9 1HB HIS 9 17.300 6.177 0.726 63 HD1 HIS 9 HD1 HIS 9 16.671 8.750 1.574 64 HD2 HIS 9 HD2 HIS 9 17.760 5.981 4.494 65 HE1 HIS 9 HE1 HIS 9 17.330 10.088 3.617 66 H GLU 10 H GLU 10 15.635 7.661 -0.440 67 HA GLU 10 HA GLU 10 14.827 10.017 0.980 68 1HB GLU 10 2HB GLU 10 15.023 9.469 -1.996 69 2HB GLU 10 1HB GLU 10 14.781 11.068 -1.292 70 1HG GLU 10 2HG GLU 10 16.898 10.783 -0.005 71 2HG GLU 10 1HG GLU 10 17.151 9.236 -0.813 72 H PHE 11 H PHE 11 13.083 7.853 -1.256 73 HA PHE 11 HA PHE 11 10.680 9.472 -1.226 74 1HB PHE 11 2HB PHE 11 11.586 7.069 -2.536 75 2HB PHE 11 1HB PHE 11 9.998 6.781 -1.828 76 HD1 PHE 11 HD1 PHE 11 9.044 9.720 -1.994 77 HD2 PHE 11 HD2 PHE 11 10.889 7.094 -4.854 78 HE1 PHE 11 HE1 PHE 11 8.003 10.996 -3.842 79 HE2 PHE 11 HE2 PHE 11 9.843 8.372 -6.698 80 HZ PHE 11 HZ PHE 11 8.401 10.324 -6.194 81 H GLN 12 H GLN 12 12.078 7.219 0.949 82 HA GLN 12 HA GLN 12 9.685 6.202 2.173 83 1HB GLN 12 2HB GLN 12 11.946 5.212 2.514 84 2HB GLN 12 1HB GLN 12 12.408 6.644 3.433 85 1HG GLN 12 2HG GLN 12 10.557 6.192 5.027 86 2HG GLN 12 1HG GLN 12 10.157 4.731 4.124 87 1HE2 GLN 12 1HE2 GLN 12 10.830 4.291 6.746 88 2HE2 GLN 12 2HE2 GLN 12 12.398 3.654 6.879 89 H ALA 13 H ALA 13 11.582 9.142 2.632 90 HA ALA 13 HA ALA 13 10.353 9.985 5.080 91 1HB ALA 13 1HB ALA 13 12.401 10.936 3.581 92 2HB ALA 13 2HB ALA 13 11.585 11.898 4.813 93 3HB ALA 13 3HB ALA 13 11.135 12.072 3.116 94 H PHE 14 H PHE 14 9.286 10.023 1.764 95 HA PHE 14 HA PHE 14 7.092 11.914 2.364 96 1HB PHE 14 2HB PHE 14 7.869 10.436 -0.167 97 2HB PHE 14 1HB PHE 14 6.513 11.558 -0.048 98 HD1 PHE 14 HD1 PHE 14 6.926 13.965 0.506 99 HD2 PHE 14 HD2 PHE 14 10.132 11.218 -0.287 100 HE1 PHE 14 HE1 PHE 14 8.474 15.871 0.160 101 HE2 PHE 14 HE2 PHE 14 11.680 13.125 -0.634 102 HZ PHE 14 HZ PHE 14 10.851 15.451 -0.411 103 H MET 15 H MET 15 7.603 8.738 2.987 104 HA MET 15 HA MET 15 5.045 7.653 2.072 105 1HB MET 15 2HB MET 15 7.279 6.381 2.547 106 2HB MET 15 1HB MET 15 6.743 6.413 4.227 107 1HG MET 15 2HG MET 15 5.015 5.403 1.952 108 2HG MET 15 1HG MET 15 6.042 4.351 2.927 109 1HE MET 15 3HE MET 15 6.014 4.163 5.364 110 2HE MET 15 2HE MET 15 5.830 5.851 5.834 111 3HE MET 15 1HE MET 15 4.717 4.642 6.468 112 H LYS 16 H LYS 16 3.142 7.711 3.199 113 HA LYS 16 HA LYS 16 3.238 8.340 6.109 114 1HB LYS 16 2HB LYS 16 1.526 9.780 4.060 115 2HB LYS 16 1HB LYS 16 1.397 9.982 5.807 116 1HG LYS 16 2HG LYS 16 3.816 10.668 5.838 117 2HG LYS 16 1HG LYS 16 3.801 10.623 4.075 118 1HD LYS 16 2HD LYS 16 1.934 12.279 4.087 119 2HD LYS 16 1HD LYS 16 2.066 12.374 5.843 120 1HE LYS 16 2HE LYS 16 4.667 12.767 5.103 121 2HE LYS 16 1HE LYS 16 3.817 13.521 3.755 122 1HZ LYS 16 1HZ LYS 16 2.888 14.102 6.468 123 2HZ LYS 16 3HZ LYS 16 4.330 14.832 5.953 124 3HZ LYS 16 2HZ LYS 16 2.891 15.092 5.087 125 H ASN 17 H ASN 17 1.462 7.484 7.276 126 HA ASN 17 HA ASN 17 -0.137 5.807 7.693 127 1HB ASN 17 2HB ASN 17 -1.259 6.871 5.083 128 2HB ASN 17 1HB ASN 17 -2.154 5.996 6.326 129 1HD2 ASN 17 1HD2 ASN 17 -1.013 7.291 8.640 130 2HD2 ASN 17 2HD2 ASN 17 -1.524 8.910 8.640 131 H GLY 18 H GLY 18 2.238 5.134 5.950 132 1HA GLY 18 1HA GLY 18 1.284 2.498 5.122 133 2HA GLY 18 2HA GLY 18 2.946 3.080 5.009 134 H LYS 19 H LYS 19 1.760 5.572 3.638 135 HA LYS 19 HA LYS 19 1.459 4.313 0.941 136 1HB LYS 19 2HB LYS 19 -0.623 5.457 1.939 137 2HB LYS 19 1HB LYS 19 0.257 6.970 1.724 138 1HG LYS 19 2HG LYS 19 0.566 5.574 -0.702 139 2HG LYS 19 1HG LYS 19 -1.127 5.367 -0.258 140 1HD LYS 19 2HD LYS 19 -1.048 7.933 0.243 141 2HD LYS 19 1HD LYS 19 0.395 7.914 -0.773 142 1HE LYS 19 2HE LYS 19 -2.268 6.750 -1.633 143 2HE LYS 19 1HE LYS 19 -1.756 8.393 -2.018 144 1HZ LYS 19 2HZ LYS 19 0.387 6.891 -2.716 145 2HZ LYS 19 1HZ LYS 19 -0.917 5.900 -3.166 146 3HZ LYS 19 3HZ LYS 19 -0.796 7.473 -3.788 147 H LEU 20 H LEU 20 2.918 5.034 -0.561 148 HA LEU 20 HA LEU 20 4.909 7.017 0.291 149 1HB LEU 20 2HB LEU 20 5.744 5.107 -0.929 150 2HB LEU 20 1HB LEU 20 4.594 5.378 -2.239 151 HG LEU 20 HG LEU 20 5.681 7.654 -2.562 152 1HD1 LEU 20 3HD1 LEU 20 6.827 7.217 -0.164 153 2HD1 LEU 20 2HD1 LEU 20 8.113 6.610 -1.208 154 3HD1 LEU 20 1HD1 LEU 20 7.546 8.271 -1.381 155 1HD2 LEU 20 2HD2 LEU 20 7.256 5.104 -2.974 156 2HD2 LEU 20 1HD2 LEU 20 6.198 5.914 -4.130 157 3HD2 LEU 20 3HD2 LEU 20 7.734 6.651 -3.673 158 H PHE 21 H PHE 21 4.463 9.151 0.035 159 HA PHE 21 HA PHE 21 2.563 9.968 -2.093 160 1HB PHE 21 2HB PHE 21 3.733 11.403 0.301 161 2HB PHE 21 1HB PHE 21 2.773 12.229 -0.927 162 HD1 PHE 21 HD1 PHE 21 2.726 9.561 1.651 163 HD2 PHE 21 HD2 PHE 21 0.391 11.934 -1.064 164 HE1 PHE 21 HE1 PHE 21 0.647 8.765 2.743 165 HE2 PHE 21 HE2 PHE 21 -1.688 11.137 0.028 166 HZ PHE 21 HZ PHE 21 -1.560 9.553 1.932 167 H CYS 22 H CYS 22 3.347 10.725 -3.986 168 HA CYS 22 HA CYS 22 6.086 11.931 -3.989 169 1HB CYS 22 2HB CYS 22 4.928 10.365 -6.300 170 2HB CYS 22 1HB CYS 22 6.608 10.829 -6.030 171 HA PRO 23 HA PRO 23 3.070 14.827 -6.045 172 1HB PRO 23 2HB PRO 23 2.983 16.755 -4.167 173 2HB PRO 23 1HB PRO 23 1.920 15.349 -4.141 174 1HG PRO 23 2HG PRO 23 4.198 16.002 -2.407 175 2HG PRO 23 1HG PRO 23 2.854 14.900 -2.118 176 1HD PRO 23 1HD PRO 23 5.525 14.248 -2.932 177 2HD PRO 23 2HD PRO 23 4.182 13.147 -2.640 178 H GLN 24 H GLN 24 5.902 15.733 -4.067 179 HA GLN 24 HA GLN 24 6.615 18.168 -5.142 180 1HB GLN 24 2HB GLN 24 7.893 16.763 -3.426 181 2HB GLN 24 1HB GLN 24 8.647 15.958 -4.802 182 1HG GLN 24 2HG GLN 24 9.465 18.131 -5.631 183 2HG GLN 24 1HG GLN 24 8.699 18.945 -4.267 184 1HE2 GLN 24 1HE2 GLN 24 10.194 19.398 -2.649 185 2HE2 GLN 24 2HE2 GLN 24 11.525 18.425 -2.245 186 H ASP 25 H ASP 25 7.585 15.030 -6.541 187 HA ASP 25 HA ASP 25 8.133 14.466 -8.753 188 1HB ASP 25 2HB ASP 25 6.447 16.933 -9.266 189 2HB ASP 25 1HB ASP 25 7.034 15.861 -10.537 190 H LYS 26 H LYS 26 10.006 16.031 -7.230 191 HA LYS 26 HA LYS 26 11.223 17.694 -9.401 192 1HB LYS 26 2HB LYS 26 11.478 17.919 -6.388 193 2HB LYS 26 1HB LYS 26 12.454 18.842 -7.531 194 1HG LYS 26 2HG LYS 26 10.381 19.784 -8.516 195 2HG LYS 26 1HG LYS 26 9.427 18.894 -7.330 196 1HD LYS 26 2HD LYS 26 10.651 20.087 -5.510 197 2HD LYS 26 1HD LYS 26 11.496 21.032 -6.736 198 1HE LYS 26 2HE LYS 26 9.361 21.925 -7.550 199 2HE LYS 26 1HE LYS 26 8.484 20.936 -6.383 200 1HZ LYS 26 2HZ LYS 26 10.354 22.276 -4.902 201 2HZ LYS 26 1HZ LYS 26 9.795 23.439 -6.006 202 3HZ LYS 26 3HZ LYS 26 8.696 22.637 -4.993 203 H LYS 27 H LYS 27 13.648 17.638 -9.409 204 HA LYS 27 HA LYS 27 15.674 16.450 -9.433 205 1HB LYS 27 2HB LYS 27 14.547 14.699 -7.247 206 2HB LYS 27 1HB LYS 27 16.230 15.138 -7.540 207 1HG LYS 27 2HG LYS 27 14.670 17.534 -7.198 208 2HG LYS 27 1HG LYS 27 14.375 16.448 -5.840 209 1HD LYS 27 2HD LYS 27 16.282 17.636 -5.149 210 2HD LYS 27 1HD LYS 27 16.967 16.155 -5.820 211 1HE LYS 27 2HE LYS 27 18.264 17.838 -6.831 212 2HE LYS 27 1HE LYS 27 17.049 17.487 -8.059 213 1HZ LYS 27 3HZ LYS 27 16.162 19.447 -6.178 214 2HZ LYS 27 2HZ LYS 27 17.582 19.932 -6.976 215 3HZ LYS 27 1HZ LYS 27 16.199 19.517 -7.872 216 HA PRO 28 HA PRO 28 13.408 13.162 -11.869 217 1HB PRO 28 2HB PRO 28 14.637 13.712 -14.212 218 2HB PRO 28 1HB PRO 28 13.175 14.544 -13.675 219 1HG PRO 28 2HG PRO 28 16.029 15.438 -13.529 220 2HG PRO 28 1HG PRO 28 14.596 16.363 -13.988 221 1HD PRO 28 1HD PRO 28 15.705 16.554 -11.527 222 2HD PRO 28 2HD PRO 28 13.970 16.728 -11.793 223 H ILE 29 H ILE 29 14.276 11.151 -11.718 224 HA ILE 29 HA ILE 29 17.235 10.875 -12.076 225 HB ILE 29 HB ILE 29 16.665 10.440 -9.763 226 1HG1 ILE 29 2HG1 ILE 29 18.101 8.760 -11.281 227 2HG1 ILE 29 1HG1 ILE 29 17.817 8.459 -9.570 228 1HG2 ILE 29 3HG2 ILE 29 14.362 9.052 -11.019 229 2HG2 ILE 29 2HG2 ILE 29 15.024 8.290 -9.573 230 3HG2 ILE 29 1HG2 ILE 29 14.445 9.955 -9.507 231 1HD1 ILE 29 3HD1 ILE 29 15.963 7.390 -11.710 232 2HD1 ILE 29 2HD1 ILE 29 17.382 6.496 -11.167 233 3HD1 ILE 29 1HD1 ILE 29 16.092 6.880 -10.027 234 H GLN 30 H GLN 30 17.937 9.060 -13.298 235 HA GLN 30 HA GLN 30 15.958 8.048 -15.205 236 1HB GLN 30 2HB GLN 30 18.923 7.537 -14.838 237 2HB GLN 30 1HB GLN 30 17.960 6.761 -16.095 238 1HG GLN 30 2HG GLN 30 17.272 9.043 -16.889 239 2HG GLN 30 1HG GLN 30 18.396 9.739 -15.722 240 1HE2 GLN 30 1HE2 GLN 30 18.790 10.193 -18.498 241 2HE2 GLN 30 2HE2 GLN 30 20.178 9.357 -19.003 242 H SER 31 H SER 31 14.681 6.358 -14.670 243 HA SER 31 HA SER 31 15.408 4.590 -12.452 244 1HB SER 31 2HB SER 31 13.204 3.563 -12.882 245 2HB SER 31 1HB SER 31 13.084 5.317 -12.729 246 HG SER 31 HG SER 31 13.526 4.989 -15.222 247 H LEU 32 H LEU 32 14.592 2.147 -13.051 248 HA LEU 32 HA LEU 32 16.265 1.312 -15.387 249 1HB LEU 32 2HB LEU 32 15.722 -0.285 -12.865 250 2HB LEU 32 1HB LEU 32 16.854 -0.689 -14.155 251 HG LEU 32 HG LEU 32 18.041 1.510 -13.618 252 1HD1 LEU 32 1HD1 LEU 32 15.935 1.428 -11.506 253 2HD1 LEU 32 3HD1 LEU 32 17.540 1.974 -11.020 254 3HD1 LEU 32 2HD1 LEU 32 16.673 2.818 -12.302 255 1HD2 LEU 32 2HD2 LEU 32 18.528 -0.952 -12.754 256 2HD2 LEU 32 1HD2 LEU 32 19.429 0.419 -12.109 257 3HD2 LEU 32 3HD2 LEU 32 18.078 -0.256 -11.197 258 H ASP 33 H ASP 33 13.192 1.194 -13.833 259 HA ASP 33 HA ASP 33 12.222 -1.227 -15.101 260 1HB ASP 33 2HB ASP 33 10.839 1.111 -13.769 261 2HB ASP 33 1HB ASP 33 9.958 -0.260 -14.444 262 H GLY 34 H GLY 34 13.097 1.693 -16.405 263 1HA GLY 34 1HA GLY 34 11.299 1.246 -18.739 264 2HA GLY 34 2HA GLY 34 12.858 2.071 -18.804 265 H ILE 35 H ILE 35 11.706 3.281 -16.075 266 HA ILE 35 HA ILE 35 9.881 5.276 -17.315 267 HB ILE 35 HB ILE 35 10.612 5.123 -14.390 268 1HG1 ILE 35 1HG1 ILE 35 8.342 3.625 -15.726 269 2HG1 ILE 35 2HG1 ILE 35 9.864 2.868 -15.259 270 1HG2 ILE 35 2HG2 ILE 35 8.652 6.517 -16.088 271 2HG2 ILE 35 1HG2 ILE 35 7.952 5.773 -14.650 272 3HG2 ILE 35 3HG2 ILE 35 9.259 6.945 -14.489 273 1HD1 ILE 35 3HD1 ILE 35 8.717 4.464 -13.096 274 2HD1 ILE 35 2HD1 ILE 35 7.629 3.181 -13.626 275 3HD1 ILE 35 1HD1 ILE 35 9.259 2.786 -13.081 276 H MET 36 H MET 36 10.293 7.592 -16.244 277 HA MET 36 HA MET 36 13.186 8.165 -16.700 278 1HB MET 36 2HB MET 36 10.706 9.885 -16.951 279 2HB MET 36 1HB MET 36 12.342 10.538 -17.040 280 1HG MET 36 2HG MET 36 12.837 8.991 -18.918 281 2HG MET 36 1HG MET 36 11.179 8.393 -18.845 282 1HE MET 36 2HE MET 36 13.065 11.699 -18.543 283 2HE MET 36 1HE MET 36 13.578 11.140 -20.133 284 3HE MET 36 3HE MET 36 12.597 12.605 -19.981 285 H PHE 37 H PHE 37 11.176 7.647 -14.161 286 HA PHE 37 HA PHE 37 12.847 8.533 -12.139 287 1HB PHE 37 2HB PHE 37 12.764 10.806 -12.762 288 2HB PHE 37 1HB PHE 37 11.049 10.726 -13.159 289 HD1 PHE 37 HD1 PHE 37 12.597 9.281 -10.115 290 HD2 PHE 37 HD2 PHE 37 10.262 12.500 -11.738 291 HE1 PHE 37 HE1 PHE 37 12.027 10.024 -7.821 292 HE2 PHE 37 HE2 PHE 37 9.691 13.243 -9.443 293 HZ PHE 37 HZ PHE 37 10.574 12.006 -7.483 294 H ILE 38 H ILE 38 9.389 8.969 -12.895 295 HA ILE 38 HA ILE 38 8.185 8.524 -10.474 296 HB ILE 38 HB ILE 38 7.390 7.210 -13.089 297 1HG1 ILE 38 1HG1 ILE 38 6.581 9.850 -11.833 298 2HG1 ILE 38 2HG1 ILE 38 7.630 9.661 -13.237 299 1HG2 ILE 38 1HG2 ILE 38 5.835 7.773 -10.547 300 2HG2 ILE 38 3HG2 ILE 38 5.102 7.265 -12.069 301 3HG2 ILE 38 2HG2 ILE 38 6.212 6.187 -11.222 302 1HD1 ILE 38 3HD1 ILE 38 4.844 8.495 -13.175 303 2HD1 ILE 38 2HD1 ILE 38 5.140 10.154 -13.695 304 3HD1 ILE 38 1HD1 ILE 38 5.866 8.811 -14.578 305 H ASN 39 H ASN 39 9.969 6.145 -12.335 306 HA ASN 39 HA ASN 39 9.108 3.720 -11.326 307 1HB ASN 39 2HB ASN 39 11.093 4.152 -12.869 308 2HB ASN 39 1HB ASN 39 12.042 4.441 -11.411 309 1HD2 ASN 39 1HD2 ASN 39 13.315 2.536 -11.319 310 2HD2 ASN 39 2HD2 ASN 39 12.664 0.969 -11.262 311 H LYS 40 H LYS 40 11.539 5.802 -9.674 312 HA LYS 40 HA LYS 40 11.883 4.293 -7.370 313 1HB LYS 40 2HB LYS 40 11.600 7.304 -7.572 314 2HB LYS 40 1HB LYS 40 12.219 6.460 -6.153 315 1HG LYS 40 2HG LYS 40 14.024 5.480 -7.526 316 2HG LYS 40 1HG LYS 40 13.411 6.339 -8.939 317 1HD LYS 40 2HD LYS 40 15.314 7.529 -7.834 318 2HD LYS 40 1HD LYS 40 13.836 8.489 -7.866 319 1HE LYS 40 2HE LYS 40 14.048 6.769 -5.496 320 2HE LYS 40 1HE LYS 40 15.343 7.960 -5.609 321 1HZ LYS 40 2HZ LYS 40 12.974 9.235 -6.314 322 2HZ LYS 40 1HZ LYS 40 12.653 8.358 -4.895 323 3HZ LYS 40 3HZ LYS 40 13.918 9.488 -4.924 324 H CYS 41 H CYS 41 9.317 6.694 -7.907 325 HA CYS 41 HA CYS 41 7.928 6.116 -5.449 326 1HB CYS 41 2HB CYS 41 7.654 8.190 -6.865 327 2HB CYS 41 1HB CYS 41 6.769 7.211 -8.023 328 H ALA 42 H ALA 42 7.356 5.169 -8.820 329 HA ALA 42 HA ALA 42 5.138 3.453 -8.329 330 1HB ALA 42 2HB ALA 42 5.406 2.713 -10.550 331 2HB ALA 42 1HB ALA 42 6.059 4.351 -10.569 332 3HB ALA 42 3HB ALA 42 7.151 2.968 -10.516 333 H THR 43 H THR 43 8.581 2.916 -7.882 334 HA THR 43 HA THR 43 8.055 0.002 -7.512 335 HB THR 43 HB THR 43 10.596 -0.111 -7.403 336 HG1 THR 43 HG1 THR 43 11.050 2.006 -6.913 337 1HG2 THR 43 3HG2 THR 43 9.067 0.840 -9.815 338 2HG2 THR 43 2HG2 THR 43 10.794 0.501 -9.926 339 3HG2 THR 43 1HG2 THR 43 9.673 -0.777 -9.457 340 H CYS 44 H CYS 44 9.455 2.822 -5.854 341 HA CYS 44 HA CYS 44 10.163 1.488 -3.447 342 1HB CYS 44 2HB CYS 44 9.331 4.354 -3.957 343 2HB CYS 44 1HB CYS 44 9.947 3.779 -2.407 344 H LYS 45 H LYS 45 7.057 2.545 -4.667 345 HA LYS 45 HA LYS 45 5.587 2.700 -2.259 346 1HB LYS 45 2HB LYS 45 4.743 3.142 -4.631 347 2HB LYS 45 1HB LYS 45 4.548 1.396 -4.786 348 1HG LYS 45 2HG LYS 45 3.067 1.392 -2.804 349 2HG LYS 45 1HG LYS 45 3.253 3.141 -2.667 350 1HD LYS 45 2HD LYS 45 2.269 3.423 -4.913 351 2HD LYS 45 1HD LYS 45 2.087 1.674 -5.055 352 1HE LYS 45 2HE LYS 45 0.857 3.257 -2.788 353 2HE LYS 45 1HE LYS 45 0.005 2.953 -4.303 354 1HZ LYS 45 2HZ LYS 45 0.980 0.514 -3.611 355 2HZ LYS 45 1HZ LYS 45 0.524 1.177 -2.115 356 3HZ LYS 45 3HZ LYS 45 -0.614 1.048 -3.365 357 H MET 46 H MET 46 6.297 -0.168 -4.267 358 HA MET 46 HA MET 46 5.078 -1.988 -2.348 359 1HB MET 46 2HB MET 46 7.000 -2.532 -4.635 360 2HB MET 46 1HB MET 46 6.090 -3.758 -3.751 361 1HG MET 46 2HG MET 46 3.973 -2.640 -4.454 362 2HG MET 46 1HG MET 46 4.922 -1.502 -5.411 363 1HE MET 46 1HE MET 46 6.887 -2.311 -6.555 364 2HE MET 46 3HE MET 46 7.279 -4.020 -6.785 365 3HE MET 46 2HE MET 46 6.516 -3.106 -8.083 366 H ILE 47 H ILE 47 8.194 -0.521 -2.797 367 HA ILE 47 HA ILE 47 9.646 -2.431 -1.134 368 HB ILE 47 HB ILE 47 10.398 0.388 -1.969 369 1HG1 ILE 47 2HG1 ILE 47 11.133 -2.274 -3.223 370 2HG1 ILE 47 1HG1 ILE 47 9.934 -1.158 -3.876 371 1HG2 ILE 47 2HG2 ILE 47 11.691 -1.689 -0.350 372 2HG2 ILE 47 1HG2 ILE 47 12.695 -1.129 -1.688 373 3HG2 ILE 47 3HG2 ILE 47 12.084 0.024 -0.501 374 1HD1 ILE 47 1HD1 ILE 47 12.711 -0.179 -3.265 375 2HD1 ILE 47 3HD1 ILE 47 12.400 -1.052 -4.766 376 3HD1 ILE 47 2HD1 ILE 47 11.542 0.451 -4.426 377 H LEU 48 H LEU 48 7.985 0.654 -0.664 378 HA LEU 48 HA LEU 48 8.964 1.039 2.043 379 1HB LEU 48 2HB LEU 48 6.587 2.208 0.567 380 2HB LEU 48 1HB LEU 48 7.101 2.720 2.174 381 HG LEU 48 HG LEU 48 8.670 2.917 -0.409 382 1HD1 LEU 48 3HD1 LEU 48 7.190 4.779 1.359 383 2HD1 LEU 48 2HD1 LEU 48 8.758 5.353 0.790 384 3HD1 LEU 48 1HD1 LEU 48 7.515 4.888 -0.371 385 1HD2 LEU 48 1HD2 LEU 48 9.550 2.815 2.414 386 2HD2 LEU 48 3HD2 LEU 48 10.463 2.498 0.939 387 3HD2 LEU 48 2HD2 LEU 48 10.204 4.157 1.476 388 H GLU 49 H GLU 49 6.205 -0.583 0.573 389 HA GLU 49 HA GLU 49 4.755 -0.978 3.047 390 1HB GLU 49 2HB GLU 49 4.647 -2.489 0.417 391 2HB GLU 49 1HB GLU 49 3.495 -2.686 1.738 392 1HG GLU 49 2HG GLU 49 2.903 -0.291 1.572 393 2HG GLU 49 1HG GLU 49 4.045 -0.104 0.241 394 H LYS 50 H LYS 50 7.286 -2.730 1.339 395 HA LYS 50 HA LYS 50 7.105 -5.209 2.729 396 1HB LYS 50 2HB LYS 50 8.537 -4.813 0.723 397 2HB LYS 50 1HB LYS 50 9.613 -3.832 1.718 398 1HG LYS 50 2HG LYS 50 9.965 -5.801 3.211 399 2HG LYS 50 1HG LYS 50 8.970 -6.769 2.124 400 1HD LYS 50 2HD LYS 50 10.559 -6.155 0.260 401 2HD LYS 50 1HD LYS 50 11.600 -5.411 1.473 402 1HE LYS 50 2HE LYS 50 12.523 -7.448 1.780 403 2HE LYS 50 1HE LYS 50 10.998 -7.937 2.520 404 1HZ LYS 50 2HZ LYS 50 10.302 -8.244 0.039 405 2HZ LYS 50 1HZ LYS 50 11.976 -8.396 -0.206 406 3HZ LYS 50 3HZ LYS 50 11.175 -9.458 0.846 407 H GLU 51 H GLU 51 8.634 -2.138 3.589 408 HA GLU 51 HA GLU 51 10.157 -2.994 5.814 409 1HB GLU 51 2HB GLU 51 10.187 -0.683 4.846 410 2HB GLU 51 1HB GLU 51 8.610 -0.395 5.581 411 1HG GLU 51 2HG GLU 51 9.595 -0.904 7.813 412 2HG GLU 51 1HG GLU 51 11.174 -1.089 7.049 413 H ALA 52 H ALA 52 6.702 -2.260 5.542 414 HA ALA 52 HA ALA 52 6.092 -2.364 8.333 415 1HB ALA 52 2HB ALA 52 4.636 -1.740 6.172 416 2HB ALA 52 1HB ALA 52 4.110 -3.413 6.363 417 3HB ALA 52 3HB ALA 52 3.883 -2.261 7.679 418 H LYS 53 H LYS 53 6.661 -4.860 5.945 419 HA LYS 53 HA LYS 53 5.453 -7.059 7.297 420 1HB LYS 53 2HB LYS 53 6.310 -7.152 4.961 421 2HB LYS 53 1HB LYS 53 7.958 -7.074 5.585 422 1HG LYS 53 2HG LYS 53 7.600 -9.161 6.834 423 2HG LYS 53 1HG LYS 53 5.934 -9.232 6.260 424 1HD LYS 53 2HD LYS 53 7.287 -10.686 4.862 425 2HD LYS 53 1HD LYS 53 6.814 -9.281 3.908 426 1HE LYS 53 2HE LYS 53 9.006 -8.964 3.475 427 2HE LYS 53 1HE LYS 53 9.195 -8.512 5.169 428 1HZ LYS 53 1HZ LYS 53 9.119 -11.248 5.174 429 2HZ LYS 53 3HZ LYS 53 10.067 -10.866 3.821 430 3HZ LYS 53 2HZ LYS 53 10.501 -10.277 5.354 431 H SER 54 H SER 54 8.570 -5.458 7.722 432 HA SER 54 HA SER 54 9.796 -7.415 9.398 433 1HB SER 54 2HB SER 54 10.127 -4.403 9.549 434 2HB SER 54 1HB SER 54 11.269 -5.618 10.125 435 HG SER 54 HG SER 54 11.472 -4.587 7.886 436 H GLN 55 H GLN 55 7.353 -4.984 10.030 437 HA GLN 55 HA GLN 55 7.540 -5.454 12.951 438 1HB GLN 55 2HB GLN 55 5.803 -3.591 11.305 439 2HB GLN 55 1HB GLN 55 5.756 -3.699 13.064 440 1HG GLN 55 2HG GLN 55 8.137 -3.077 13.175 441 2HG GLN 55 1HG GLN 55 8.202 -2.990 11.415 442 1HE2 GLN 55 1HE2 GLN 55 8.793 -0.685 12.977 443 2HE2 GLN 55 2HE2 GLN 55 7.557 0.457 12.760 No H/Q in entry = 443 Start of MODEL 13 1 H1 LYS 1 2H LYS 1 9.160 17.133 -5.466 2 H2 LYS 1 1H LYS 1 10.801 16.973 -5.878 3 H3 LYS 1 3H LYS 1 9.778 17.931 -6.833 4 HA LYS 1 HA LYS 1 9.484 16.174 -8.134 5 1HB LYS 1 2HB LYS 1 10.664 14.580 -5.838 6 2HB LYS 1 1HB LYS 1 10.289 13.911 -7.426 7 1HG LYS 1 2HG LYS 1 11.806 15.618 -8.450 8 2HG LYS 1 1HG LYS 1 12.248 16.148 -6.827 9 1HD LYS 1 2HD LYS 1 13.001 13.815 -6.324 10 2HD LYS 1 1HD LYS 1 12.670 13.383 -8.001 11 1HE LYS 1 2HE LYS 1 14.290 15.055 -8.775 12 2HE LYS 1 1HE LYS 1 14.590 15.557 -7.111 13 1HZ LYS 1 3HZ LYS 1 14.899 12.796 -7.212 14 2HZ LYS 1 2HZ LYS 1 15.749 13.429 -8.540 15 3HZ LYS 1 1HZ LYS 1 16.102 13.967 -6.967 16 H ASN 2 H ASN 2 7.206 16.438 -8.044 17 HA ASN 2 HA ASN 2 5.006 15.739 -7.624 18 1HB ASN 2 2HB ASN 2 6.445 13.301 -6.529 19 2HB ASN 2 1HB ASN 2 4.716 13.394 -6.865 20 1HD2 ASN 2 1HD2 ASN 2 6.442 11.522 -8.225 21 2HD2 ASN 2 2HD2 ASN 2 6.505 11.962 -9.863 22 H GLU 3 H GLU 3 6.156 17.469 -5.738 23 HA GLU 3 HA GLU 3 5.928 16.543 -3.034 24 1HB GLU 3 2HB GLU 3 5.615 19.334 -4.181 25 2HB GLU 3 1HB GLU 3 5.786 18.964 -2.465 26 1HG GLU 3 2HG GLU 3 7.975 17.893 -2.932 27 2HG GLU 3 1HG GLU 3 7.806 18.317 -4.635 28 H ASP 4 H ASP 4 3.579 17.716 -5.368 29 HA ASP 4 HA ASP 4 1.448 18.291 -3.558 30 1HB ASP 4 2HB ASP 4 1.530 18.831 -6.042 31 2HB ASP 4 1HB ASP 4 1.131 17.137 -6.340 32 H GLN 5 H GLN 5 2.732 15.276 -4.785 33 HA GLN 5 HA GLN 5 0.458 13.630 -4.131 34 1HB GLN 5 2HB GLN 5 3.406 12.969 -4.402 35 2HB GLN 5 1HB GLN 5 2.139 11.759 -4.198 36 1HG GLN 5 2HG GLN 5 1.043 12.536 -6.256 37 2HG GLN 5 1HG GLN 5 2.270 13.788 -6.451 38 1HE2 GLN 5 1HE2 GLN 5 1.913 11.819 -8.475 39 2HE2 GLN 5 2HE2 GLN 5 3.273 10.804 -8.499 40 H GLU 6 H GLU 6 3.135 14.927 -2.282 41 HA GLU 6 HA GLU 6 2.985 13.177 -0.028 42 1HB GLU 6 2HB GLU 6 4.800 14.890 -0.515 43 2HB GLU 6 1HB GLU 6 3.679 16.125 0.058 44 1HG GLU 6 2HG GLU 6 3.509 14.969 2.230 45 2HG GLU 6 1HG GLU 6 4.618 13.724 1.658 46 H MET 7 H MET 7 1.260 16.190 -0.806 47 HA MET 7 HA MET 7 -0.141 16.389 1.692 48 1HB MET 7 2HB MET 7 -0.649 17.463 -1.079 49 2HB MET 7 1HB MET 7 -1.796 17.742 0.231 50 1HG MET 7 2HG MET 7 -0.059 18.805 1.577 51 2HG MET 7 1HG MET 7 1.153 18.444 0.349 52 1HE MET 7 2HE MET 7 0.375 18.733 -2.095 53 2HE MET 7 1HE MET 7 -1.314 19.202 -2.263 54 3HE MET 7 3HE MET 7 -0.029 20.329 -2.722 55 H CYS 8 H CYS 8 -0.649 14.463 -1.176 56 HA CYS 8 HA CYS 8 -3.425 13.856 -0.725 57 1HB CYS 8 2HB CYS 8 -1.404 12.053 -2.073 58 2HB CYS 8 1HB CYS 8 -3.142 12.131 -2.362 59 H HIS 9 H HIS 9 -0.466 12.715 0.694 60 HA HIS 9 HA HIS 9 -1.581 10.250 1.766 61 1HB HIS 9 2HB HIS 9 0.784 10.267 1.575 62 2HB HIS 9 1HB HIS 9 0.916 11.861 2.316 63 HD1 HIS 9 HD1 HIS 9 0.010 11.901 4.937 64 HD2 HIS 9 HD2 HIS 9 1.202 8.220 3.387 65 HE1 HIS 9 HE1 HIS 9 0.424 10.390 6.923 66 H GLU 10 H GLU 10 -0.827 13.461 3.147 67 HA GLU 10 HA GLU 10 -1.959 12.896 5.725 68 1HB GLU 10 2HB GLU 10 -1.457 15.507 4.270 69 2HB GLU 10 1HB GLU 10 -1.994 15.411 5.948 70 1HG GLU 10 2HG GLU 10 0.015 13.994 6.449 71 2HG GLU 10 1HG GLU 10 0.571 14.269 4.798 72 H PHE 11 H PHE 11 -3.339 14.039 2.685 73 HA PHE 11 HA PHE 11 -5.914 14.664 3.968 74 1HB PHE 11 2HB PHE 11 -4.670 15.136 1.359 75 2HB PHE 11 1HB PHE 11 -6.347 14.607 1.219 76 HD1 PHE 11 HD1 PHE 11 -5.093 16.361 4.201 77 HD2 PHE 11 HD2 PHE 11 -7.180 16.807 0.463 78 HE1 PHE 11 HE1 PHE 11 -5.858 18.615 4.893 79 HE2 PHE 11 HE2 PHE 11 -7.937 19.055 1.163 80 HZ PHE 11 HZ PHE 11 -7.281 19.962 3.375 81 H GLN 12 H GLN 12 -4.327 11.911 2.784 82 HA GLN 12 HA GLN 12 -6.673 10.482 1.818 83 1HB GLN 12 2HB GLN 12 -4.461 9.797 1.052 84 2HB GLN 12 1HB GLN 12 -3.942 9.504 2.712 85 1HG GLN 12 2HG GLN 12 -5.684 7.756 2.935 86 2HG GLN 12 1HG GLN 12 -6.167 8.034 1.262 87 1HE2 GLN 12 1HE2 GLN 12 -5.371 5.484 1.688 88 2HE2 GLN 12 2HE2 GLN 12 -3.795 5.205 1.124 89 H ALA 13 H ALA 13 -4.975 10.822 4.894 90 HA ALA 13 HA ALA 13 -6.535 8.758 6.234 91 1HB ALA 13 1HB ALA 13 -4.190 9.961 6.838 92 2HB ALA 13 3HB ALA 13 -5.279 10.937 7.824 93 3HB ALA 13 2HB ALA 13 -5.206 9.190 8.056 94 H PHE 14 H PHE 14 -6.951 12.109 5.462 95 HA PHE 14 HA PHE 14 -9.059 12.524 7.477 96 1HB PHE 14 2HB PHE 14 -8.285 14.289 5.134 97 2HB PHE 14 1HB PHE 14 -9.245 14.756 6.536 98 HD1 PHE 14 HD1 PHE 14 -7.482 13.034 8.497 99 HD2 PHE 14 HD2 PHE 14 -6.592 16.018 5.537 100 HE1 PHE 14 HE1 PHE 14 -5.408 13.630 9.720 101 HE2 PHE 14 HE2 PHE 14 -4.518 16.612 6.760 102 HZ PHE 14 HZ PHE 14 -3.926 15.419 8.851 103 H MET 15 H MET 15 -9.040 10.617 4.937 104 HA MET 15 HA MET 15 -11.372 11.570 3.452 105 1HB MET 15 2HB MET 15 -9.430 9.393 3.251 106 2HB MET 15 1HB MET 15 -11.073 8.857 2.902 107 1HG MET 15 2HG MET 15 -11.286 10.834 1.337 108 2HG MET 15 1HG MET 15 -9.562 11.120 1.573 109 1HE MET 15 2HE MET 15 -8.077 8.935 1.797 110 2HE MET 15 1HE MET 15 -9.182 7.576 1.990 111 3HE MET 15 3HE MET 15 -8.088 7.642 0.601 112 H LYS 16 H LYS 16 -13.468 11.207 4.031 113 HA LYS 16 HA LYS 16 -13.965 9.130 6.132 114 1HB LYS 16 2HB LYS 16 -14.391 11.664 6.619 115 2HB LYS 16 1HB LYS 16 -15.827 11.434 5.621 116 1HG LYS 16 2HG LYS 16 -16.564 9.593 7.068 117 2HG LYS 16 1HG LYS 16 -15.108 9.765 8.048 118 1HD LYS 16 2HD LYS 16 -15.772 11.945 8.802 119 2HD LYS 16 1HD LYS 16 -17.081 12.021 7.623 120 1HE LYS 16 2HE LYS 16 -18.201 11.419 9.601 121 2HE LYS 16 1HE LYS 16 -17.950 9.865 8.807 122 1HZ LYS 16 1HZ LYS 16 -15.764 9.850 10.132 123 2HZ LYS 16 3HZ LYS 16 -16.512 11.023 11.103 124 3HZ LYS 16 2HZ LYS 16 -17.211 9.483 10.944 125 H ASN 17 H ASN 17 -15.753 7.746 5.836 126 HA ASN 17 HA ASN 17 -17.089 6.377 4.451 127 1HB ASN 17 2HB ASN 17 -18.441 8.560 5.047 128 2HB ASN 17 1HB ASN 17 -18.236 8.918 3.332 129 1HD2 ASN 17 1HD2 ASN 17 -20.839 8.470 4.117 130 2HD2 ASN 17 2HD2 ASN 17 -21.370 6.938 3.615 131 H GLY 18 H GLY 18 -14.524 7.080 3.293 132 1HA GLY 18 1HA GLY 18 -15.023 6.314 0.562 133 2HA GLY 18 2HA GLY 18 -13.460 6.806 1.215 134 H LYS 19 H LYS 19 -14.511 9.381 2.184 135 HA LYS 19 HA LYS 19 -14.629 10.779 -0.451 136 1HB LYS 19 2HB LYS 19 -16.892 10.645 0.703 137 2HB LYS 19 1HB LYS 19 -16.200 11.631 1.992 138 1HG LYS 19 2HG LYS 19 -15.529 12.872 -0.485 139 2HG LYS 19 1HG LYS 19 -17.249 12.488 -0.538 140 1HD LYS 19 2HD LYS 19 -17.149 13.463 1.954 141 2HD LYS 19 1HD LYS 19 -15.770 14.334 1.285 142 1HE LYS 19 2HE LYS 19 -17.276 15.813 0.469 143 2HE LYS 19 1HE LYS 19 -17.708 14.564 -0.698 144 1HZ LYS 19 2HZ LYS 19 -18.910 14.377 1.951 145 2HZ LYS 19 1HZ LYS 19 -19.463 15.631 0.947 146 3HZ LYS 19 3HZ LYS 19 -19.573 14.020 0.428 147 H LEU 20 H LEU 20 -13.275 12.536 -0.566 148 HA LEU 20 HA LEU 20 -11.485 13.015 1.717 149 1HB LEU 20 2HB LEU 20 -10.338 12.989 -0.345 150 2HB LEU 20 1HB LEU 20 -11.591 13.918 -1.160 151 HG LEU 20 HG LEU 20 -10.890 15.806 0.558 152 1HD1 LEU 20 1HD1 LEU 20 -9.089 13.777 1.259 153 2HD1 LEU 20 3HD1 LEU 20 -8.137 14.915 0.302 154 3HD1 LEU 20 2HD1 LEU 20 -9.002 15.473 1.738 155 1HD2 LEU 20 2HD2 LEU 20 -9.514 14.919 -1.960 156 2HD2 LEU 20 1HD2 LEU 20 -10.622 16.270 -1.718 157 3HD2 LEU 20 3HD2 LEU 20 -8.970 16.366 -1.111 158 H PHE 21 H PHE 21 -11.895 14.567 3.211 159 HA PHE 21 HA PHE 21 -13.924 16.644 2.556 160 1HB PHE 21 2HB PHE 21 -12.853 15.528 5.149 161 2HB PHE 21 1HB PHE 21 -13.753 17.044 5.104 162 HD1 PHE 21 HD1 PHE 21 -13.946 13.470 4.010 163 HD2 PHE 21 HD2 PHE 21 -16.104 17.026 5.082 164 HE1 PHE 21 HE1 PHE 21 -16.078 12.204 3.921 165 HE2 PHE 21 HE2 PHE 21 -18.234 15.761 4.992 166 HZ PHE 21 HZ PHE 21 -18.222 13.350 4.411 167 H CYS 22 H CYS 22 -13.316 18.754 2.352 168 HA CYS 22 HA CYS 22 -10.446 19.396 2.824 169 1HB CYS 22 2HB CYS 22 -12.287 20.007 0.724 170 2HB CYS 22 1HB CYS 22 -11.820 21.521 1.498 171 HA PRO 23 HA PRO 23 -12.720 21.532 6.315 172 1HB PRO 23 2HB PRO 23 -10.828 21.000 8.173 173 2HB PRO 23 1HB PRO 23 -12.145 19.886 7.798 174 1HG PRO 23 2HG PRO 23 -9.305 19.857 6.839 175 2HG PRO 23 1HG PRO 23 -10.297 18.512 7.413 176 1HD PRO 23 2HD PRO 23 -9.901 18.958 4.784 177 2HD PRO 23 1HD PRO 23 -11.425 18.316 5.399 178 H GLN 24 H GLN 24 -12.121 23.541 7.297 179 HA GLN 24 HA GLN 24 -9.754 24.820 6.019 180 1HB GLN 24 2HB GLN 24 -12.159 26.031 7.417 181 2HB GLN 24 1HB GLN 24 -10.840 26.954 6.697 182 1HG GLN 24 2HG GLN 24 -11.343 25.987 4.495 183 2HG GLN 24 1HG GLN 24 -12.631 25.013 5.203 184 1HE2 GLN 24 1HE2 GLN 24 -13.263 26.854 3.151 185 2HE2 GLN 24 2HE2 GLN 24 -14.158 28.138 3.808 186 H ASP 25 H ASP 25 -8.160 25.823 7.292 187 HA ASP 25 HA ASP 25 -8.463 25.653 10.245 188 1HB ASP 25 2HB ASP 25 -6.190 24.675 10.441 189 2HB ASP 25 1HB ASP 25 -7.293 23.596 9.586 190 H LYS 26 H LYS 26 -6.180 26.651 11.142 191 HA LYS 26 HA LYS 26 -6.184 29.387 10.145 192 1HB LYS 26 2HB LYS 26 -4.464 27.996 12.220 193 2HB LYS 26 1HB LYS 26 -4.422 29.728 11.892 194 1HG LYS 26 2HG LYS 26 -6.829 29.883 12.452 195 2HG LYS 26 1HG LYS 26 -6.851 28.155 12.804 196 1HD LYS 26 2HD LYS 26 -5.097 28.530 14.543 197 2HD LYS 26 1HD LYS 26 -5.204 30.263 14.235 198 1HE LYS 26 2HE LYS 26 -7.661 30.129 14.778 199 2HE LYS 26 1HE LYS 26 -7.406 28.454 15.266 200 1HZ LYS 26 3HZ LYS 26 -5.757 29.230 16.872 201 2HZ LYS 26 2HZ LYS 26 -6.071 30.840 16.427 202 3HZ LYS 26 1HZ LYS 26 -7.283 29.909 17.169 203 H LYS 27 H LYS 27 -4.339 26.534 9.500 204 HA LYS 27 HA LYS 27 -2.318 28.196 8.049 205 1HB LYS 27 2HB LYS 27 -1.854 25.303 8.693 206 2HB LYS 27 1HB LYS 27 -0.682 26.608 8.511 207 1HG LYS 27 2HG LYS 27 -2.223 27.467 10.642 208 2HG LYS 27 1HG LYS 27 -2.137 25.725 10.902 209 1HD LYS 27 2HD LYS 27 0.456 26.398 10.156 210 2HD LYS 27 1HD LYS 27 -0.042 27.750 11.173 211 1HE LYS 27 2HE LYS 27 -0.128 26.465 13.055 212 2HE LYS 27 1HE LYS 27 -0.796 25.079 12.194 213 1HZ LYS 27 3HZ LYS 27 1.744 25.379 11.206 214 2HZ LYS 27 2HZ LYS 27 1.909 25.644 12.876 215 3HZ LYS 27 1HZ LYS 27 1.222 24.199 12.307 216 HA PRO 28 HA PRO 28 -4.879 26.048 4.810 217 1HB PRO 28 2HB PRO 28 -4.859 28.132 3.090 218 2HB PRO 28 1HB PRO 28 -6.043 27.973 4.390 219 1HG PRO 28 2HG PRO 28 -3.548 29.624 4.286 220 2HG PRO 28 1HG PRO 28 -5.144 30.060 4.904 221 1HD PRO 28 1HD PRO 28 -3.109 29.334 6.537 222 2HD PRO 28 2HD PRO 28 -4.796 28.991 6.921 223 H ILE 29 H ILE 29 -4.254 25.695 2.472 224 HA ILE 29 HA ILE 29 -1.284 25.869 2.158 225 HB ILE 29 HB ILE 29 -1.686 23.570 2.338 226 1HG1 ILE 29 2HG1 ILE 29 -0.689 24.376 0.051 227 2HG1 ILE 29 1HG1 ILE 29 -1.145 22.684 0.242 228 1HG2 ILE 29 1HG2 ILE 29 -4.336 24.307 1.256 229 2HG2 ILE 29 3HG2 ILE 29 -3.744 22.719 0.765 230 3HG2 ILE 29 2HG2 ILE 29 -3.911 23.110 2.478 231 1HD1 ILE 29 1HD1 ILE 29 -3.381 24.361 -0.646 232 2HD1 ILE 29 3HD1 ILE 29 -2.028 24.376 -1.776 233 3HD1 ILE 29 2HD1 ILE 29 -2.777 22.848 -1.321 234 H GLN 30 H GLN 30 -0.528 26.744 0.248 235 HA GLN 30 HA GLN 30 -2.514 28.052 -1.484 236 1HB GLN 30 2HB GLN 30 0.516 28.084 -1.429 237 2HB GLN 30 1HB GLN 30 -0.442 28.965 -2.620 238 1HG GLN 30 2HG GLN 30 -1.612 30.142 -0.763 239 2HG GLN 30 1HG GLN 30 -0.573 29.308 0.392 240 1HE2 GLN 30 1HE2 GLN 30 -0.456 32.101 0.346 241 2HE2 GLN 30 2HE2 GLN 30 1.008 32.609 -0.346 242 H SER 31 H SER 31 -3.091 27.333 -3.501 243 HA SER 31 HA SER 31 -2.182 24.681 -4.314 244 1HB SER 31 2HB SER 31 -4.074 24.644 -5.592 245 2HB SER 31 1HB SER 31 -4.524 26.069 -4.653 246 HG SER 31 HG SER 31 -4.113 25.900 -7.243 247 H LEU 32 H LEU 32 -0.739 24.187 -5.880 248 HA LEU 32 HA LEU 32 0.966 26.293 -6.949 249 1HB LEU 32 2HB LEU 32 0.877 23.314 -7.539 250 2HB LEU 32 1HB LEU 32 2.158 24.415 -8.045 251 HG LEU 32 HG LEU 32 2.345 24.999 -5.513 252 1HD1 LEU 32 1HD1 LEU 32 0.422 22.762 -5.547 253 2HD1 LEU 32 3HD1 LEU 32 1.764 22.544 -4.425 254 3HD1 LEU 32 2HD1 LEU 32 0.726 23.964 -4.292 255 1HD2 LEU 32 2HD2 LEU 32 3.861 23.524 -7.062 256 2HD2 LEU 32 1HD2 LEU 32 4.073 23.431 -5.314 257 3HD2 LEU 32 3HD2 LEU 32 3.163 22.179 -6.159 258 H ASP 33 H ASP 33 -1.880 24.643 -7.969 259 HA ASP 33 HA ASP 33 -1.521 24.841 -10.816 260 1HB ASP 33 2HB ASP 33 -4.047 24.742 -9.143 261 2HB ASP 33 1HB ASP 33 -3.998 24.566 -10.898 262 H GLY 34 H GLY 34 -1.859 27.239 -8.485 263 1HA GLY 34 1HA GLY 34 -2.794 29.171 -10.567 264 2HA GLY 34 2HA GLY 34 -1.672 29.583 -9.269 265 H ILE 35 H ILE 35 -3.669 27.644 -7.691 266 HA ILE 35 HA ILE 35 -5.709 29.762 -7.154 267 HB ILE 35 HB ILE 35 -5.976 26.869 -6.335 268 1HG1 ILE 35 2HG1 ILE 35 -7.098 27.959 -8.914 269 2HG1 ILE 35 1HG1 ILE 35 -5.498 27.219 -8.866 270 1HG2 ILE 35 2HG2 ILE 35 -7.492 28.701 -5.450 271 2HG2 ILE 35 1HG2 ILE 35 -8.057 28.931 -7.105 272 3HG2 ILE 35 3HG2 ILE 35 -8.324 27.391 -6.288 273 1HD1 ILE 35 3HD1 ILE 35 -6.963 25.379 -7.474 274 2HD1 ILE 35 2HD1 ILE 35 -8.163 25.962 -8.626 275 3HD1 ILE 35 1HD1 ILE 35 -6.644 25.278 -9.205 276 H MET 36 H MET 36 -5.944 30.473 -5.024 277 HA MET 36 HA MET 36 -3.802 29.601 -3.159 278 1HB MET 36 2HB MET 36 -5.694 31.970 -3.128 279 2HB MET 36 1HB MET 36 -4.544 31.617 -1.839 280 1HG MET 36 2HG MET 36 -2.714 31.653 -3.579 281 2HG MET 36 1HG MET 36 -3.911 32.228 -4.740 282 1HE MET 36 1HE MET 36 -2.119 32.501 -1.625 283 2HE MET 36 3HE MET 36 -1.855 34.219 -1.296 284 3HE MET 36 2HE MET 36 -3.326 33.426 -0.736 285 H PHE 37 H PHE 37 -4.970 27.523 -2.741 286 HA PHE 37 HA PHE 37 -6.592 27.732 -0.365 287 1HB PHE 37 2HB PHE 37 -8.710 27.056 -1.146 288 2HB PHE 37 1HB PHE 37 -8.199 28.277 -2.309 289 HD1 PHE 37 HD1 PHE 37 -6.197 26.715 -3.895 290 HD2 PHE 37 HD2 PHE 37 -10.082 25.626 -2.423 291 HE1 PHE 37 HE1 PHE 37 -6.422 25.056 -5.719 292 HE2 PHE 37 HE2 PHE 37 -10.308 23.967 -4.251 293 HZ PHE 37 HZ PHE 37 -8.478 23.684 -5.900 294 H ILE 38 H ILE 38 -7.777 25.329 -0.189 295 HA ILE 38 HA ILE 38 -5.592 23.520 0.170 296 HB ILE 38 HB ILE 38 -8.537 22.837 -0.012 297 1HG1 ILE 38 2HG1 ILE 38 -6.881 23.698 2.380 298 2HG1 ILE 38 1HG1 ILE 38 -8.110 24.682 1.586 299 1HG2 ILE 38 3HG2 ILE 38 -6.078 21.467 1.054 300 2HG2 ILE 38 2HG2 ILE 38 -7.660 21.114 1.748 301 3HG2 ILE 38 1HG2 ILE 38 -7.359 20.808 0.037 302 1HD1 ILE 38 3HD1 ILE 38 -9.084 22.010 2.287 303 2HD1 ILE 38 2HD1 ILE 38 -8.558 22.933 3.695 304 3HD1 ILE 38 1HD1 ILE 38 -9.797 23.587 2.625 305 H ASN 39 H ASN 39 -4.585 23.472 -1.957 306 HA ASN 39 HA ASN 39 -5.936 22.618 -4.326 307 1HB ASN 39 2HB ASN 39 -3.612 23.625 -4.174 308 2HB ASN 39 1HB ASN 39 -3.044 22.047 -3.641 309 1HD2 ASN 39 1HD2 ASN 39 -2.352 23.407 -6.205 310 2HD2 ASN 39 2HD2 ASN 39 -2.883 22.373 -7.441 311 H LYS 40 H LYS 40 -4.828 20.916 -1.519 312 HA LYS 40 HA LYS 40 -4.335 18.344 -2.373 313 1HB LYS 40 2HB LYS 40 -6.155 19.105 -0.076 314 2HB LYS 40 1HB LYS 40 -5.337 17.555 -0.273 315 1HG LYS 40 2HG LYS 40 -3.160 18.965 -0.399 316 2HG LYS 40 1HG LYS 40 -4.132 20.258 0.304 317 1HD LYS 40 2HD LYS 40 -4.690 18.852 2.217 318 2HD LYS 40 1HD LYS 40 -3.839 17.485 1.498 319 1HE LYS 40 2HE LYS 40 -1.815 18.261 2.164 320 2HE LYS 40 1HE LYS 40 -2.196 19.913 1.679 321 1HZ LYS 40 3HZ LYS 40 -3.808 19.354 3.849 322 2HZ LYS 40 2HZ LYS 40 -2.273 18.751 4.258 323 3HZ LYS 40 1HZ LYS 40 -2.457 20.380 3.813 324 H CYS 41 H CYS 41 -7.624 19.402 -1.473 325 HA CYS 41 HA CYS 41 -8.914 17.217 -2.784 326 1HB CYS 41 2HB CYS 41 -10.075 19.964 -2.272 327 2HB CYS 41 1HB CYS 41 -10.967 18.457 -2.465 328 H ALA 42 H ALA 42 -7.527 20.135 -4.004 329 HA ALA 42 HA ALA 42 -9.087 20.162 -6.483 330 1HB ALA 42 1HB ALA 42 -7.563 22.039 -5.190 331 2HB ALA 42 3HB ALA 42 -6.471 21.521 -6.475 332 3HB ALA 42 2HB ALA 42 -8.066 22.154 -6.877 333 H THR 43 H THR 43 -5.963 18.915 -5.397 334 HA THR 43 HA THR 43 -5.656 17.631 -8.083 335 HB THR 43 HB THR 43 -3.185 17.617 -7.559 336 HG1 THR 43 HG1 THR 43 -4.091 19.298 -5.464 337 1HG2 THR 43 3HG2 THR 43 -4.861 19.996 -8.100 338 2HG2 THR 43 2HG2 THR 43 -3.199 20.341 -7.620 339 3HG2 THR 43 1HG2 THR 43 -3.520 19.330 -9.029 340 H CYS 44 H CYS 44 -4.754 17.241 -4.629 341 HA CYS 44 HA CYS 44 -4.104 14.494 -4.748 342 1HB CYS 44 2HB CYS 44 -5.179 16.246 -2.541 343 2HB CYS 44 1HB CYS 44 -4.951 14.518 -2.282 344 H LYS 45 H LYS 45 -7.219 16.074 -4.830 345 HA LYS 45 HA LYS 45 -8.862 13.904 -4.011 346 1HB LYS 45 2HB LYS 45 -9.727 16.192 -4.427 347 2HB LYS 45 1HB LYS 45 -9.434 15.979 -6.153 348 1HG LYS 45 2HG LYS 45 -11.022 14.128 -6.233 349 2HG LYS 45 1HG LYS 45 -11.250 14.211 -4.486 350 1HD LYS 45 2HD LYS 45 -12.074 16.563 -4.763 351 2HD LYS 45 1HD LYS 45 -11.974 16.351 -6.510 352 1HE LYS 45 2HE LYS 45 -13.832 15.028 -6.583 353 2HE LYS 45 1HE LYS 45 -13.435 14.220 -5.066 354 1HZ LYS 45 2HZ LYS 45 -14.013 16.938 -4.582 355 2HZ LYS 45 1HZ LYS 45 -15.286 16.243 -5.468 356 3HZ LYS 45 3HZ LYS 45 -14.809 15.558 -3.991 357 H MET 46 H MET 46 -7.602 14.750 -7.241 358 HA MET 46 HA MET 46 -8.714 12.336 -8.448 359 1HB MET 46 2HB MET 46 -6.610 14.280 -9.456 360 2HB MET 46 1HB MET 46 -7.365 13.012 -10.421 361 1HG MET 46 2HG MET 46 -9.593 14.049 -9.953 362 2HG MET 46 1HG MET 46 -8.767 15.365 -9.118 363 1HE MET 46 1HE MET 46 -7.119 16.981 -10.154 364 2HE MET 46 3HE MET 46 -6.125 15.646 -10.754 365 3HE MET 46 2HE MET 46 -6.574 16.968 -11.829 366 H ILE 47 H ILE 47 -5.634 13.357 -7.075 367 HA ILE 47 HA ILE 47 -4.209 10.954 -7.907 368 HB ILE 47 HB ILE 47 -3.542 13.034 -5.798 369 1HG1 ILE 47 1HG1 ILE 47 -2.427 12.721 -8.595 370 2HG1 ILE 47 2HG1 ILE 47 -3.764 13.805 -8.211 371 1HG2 ILE 47 3HG2 ILE 47 -2.047 10.684 -6.944 372 2HG2 ILE 47 2HG2 ILE 47 -1.171 12.097 -6.351 373 3HG2 ILE 47 1HG2 ILE 47 -2.207 11.177 -5.258 374 1HD1 ILE 47 1HD1 ILE 47 -1.487 14.091 -6.381 375 2HD1 ILE 47 3HD1 ILE 47 -1.079 14.462 -8.057 376 3HD1 ILE 47 2HD1 ILE 47 -2.387 15.331 -7.255 377 H LEU 48 H LEU 48 -6.439 11.730 -5.435 378 HA LEU 48 HA LEU 48 -5.475 9.645 -3.582 379 1HB LEU 48 2HB LEU 48 -6.466 11.750 -2.706 380 2HB LEU 48 1HB LEU 48 -7.988 11.347 -3.498 381 HG LEU 48 HG LEU 48 -8.363 9.486 -2.079 382 1HD1 LEU 48 3HD1 LEU 48 -5.416 9.725 -1.493 383 2HD1 LEU 48 2HD1 LEU 48 -6.486 8.859 -0.391 384 3HD1 LEU 48 1HD1 LEU 48 -6.315 8.319 -2.062 385 1HD2 LEU 48 3HD2 LEU 48 -7.154 11.828 -0.611 386 2HD2 LEU 48 2HD2 LEU 48 -8.857 11.406 -0.796 387 3HD2 LEU 48 1HD2 LEU 48 -7.823 10.454 0.269 388 H GLU 49 H GLU 49 -7.643 9.976 -6.242 389 HA GLU 49 HA GLU 49 -9.286 7.652 -5.518 390 1HB GLU 49 2HB GLU 49 -9.073 9.316 -8.045 391 2HB GLU 49 1HB GLU 49 -10.188 7.961 -7.858 392 1HG GLU 49 2HG GLU 49 -11.221 9.077 -5.914 393 2HG GLU 49 1HG GLU 49 -10.105 10.430 -6.095 394 H LYS 50 H LYS 50 -6.483 8.377 -7.521 395 HA LYS 50 HA LYS 50 -6.371 6.008 -9.067 396 1HB LYS 50 2HB LYS 50 -4.858 7.958 -9.379 397 2HB LYS 50 1HB LYS 50 -4.043 7.544 -7.870 398 1HG LYS 50 2HG LYS 50 -3.491 5.306 -8.831 399 2HG LYS 50 1HG LYS 50 -4.213 5.816 -10.358 400 1HD LYS 50 2HD LYS 50 -2.603 7.762 -10.370 401 2HD LYS 50 1HD LYS 50 -1.808 7.036 -8.974 402 1HE LYS 50 2HE LYS 50 -0.954 5.274 -10.204 403 2HE LYS 50 1HE LYS 50 -2.278 5.309 -11.369 404 1HZ LYS 50 1HZ LYS 50 -0.329 7.522 -11.181 405 2HZ LYS 50 3HZ LYS 50 -0.014 6.149 -12.126 406 3HZ LYS 50 2HZ LYS 50 -1.362 7.124 -12.470 407 H GLU 51 H GLU 51 -5.345 6.642 -5.735 408 HA GLU 51 HA GLU 51 -3.985 4.179 -5.276 409 1HB GLU 51 2HB GLU 51 -3.950 6.147 -3.727 410 2HB GLU 51 1HB GLU 51 -5.616 5.780 -3.280 411 1HG GLU 51 2HG GLU 51 -4.877 3.507 -2.555 412 2HG GLU 51 1HG GLU 51 -3.212 3.966 -2.909 413 H ALA 52 H ALA 52 -7.403 5.021 -5.279 414 HA ALA 52 HA ALA 52 -8.378 2.650 -4.001 415 1HB ALA 52 3HB ALA 52 -9.700 4.394 -6.103 416 2HB ALA 52 2HB ALA 52 -10.529 3.207 -5.097 417 3HB ALA 52 1HB ALA 52 -9.797 4.631 -4.359 418 H LYS 53 H LYS 53 -7.278 3.321 -7.256 419 HA LYS 53 HA LYS 53 -8.457 1.109 -8.606 420 1HB LYS 53 2HB LYS 53 -7.240 2.982 -9.731 421 2HB LYS 53 1HB LYS 53 -5.725 2.327 -9.111 422 1HG LYS 53 2HG LYS 53 -6.095 0.236 -10.324 423 2HG LYS 53 1HG LYS 53 -7.667 0.810 -10.880 424 1HD LYS 53 2HD LYS 53 -6.075 1.160 -12.670 425 2HD LYS 53 1HD LYS 53 -6.481 2.737 -11.993 426 1HE LYS 53 2HE LYS 53 -4.331 3.100 -11.431 427 2HE LYS 53 1HE LYS 53 -4.274 1.584 -10.531 428 1HZ LYS 53 1HZ LYS 53 -4.235 1.330 -13.419 429 2HZ LYS 53 3HZ LYS 53 -2.858 2.051 -12.739 430 3HZ LYS 53 2HZ LYS 53 -3.337 0.499 -12.240 431 H SER 54 H SER 54 -5.523 1.365 -6.636 432 HA SER 54 HA SER 54 -4.473 -1.229 -7.205 433 1HB SER 54 2HB SER 54 -3.150 -0.950 -5.196 434 2HB SER 54 1HB SER 54 -3.260 0.620 -5.993 435 HG SER 54 HG SER 54 -5.209 0.857 -4.557 436 H GLN 55 H GLN 55 -7.090 -0.153 -5.158 437 HA GLN 55 HA GLN 55 -7.276 -2.445 -3.457 438 1HB GLN 55 2HB GLN 55 -8.507 -0.292 -3.099 439 2HB GLN 55 1HB GLN 55 -9.545 -0.702 -4.465 440 1HG GLN 55 2HG GLN 55 -10.709 -1.414 -2.491 441 2HG GLN 55 1HG GLN 55 -10.079 -2.875 -3.251 442 1HE2 GLN 55 1HE2 GLN 55 -9.553 -4.206 -1.481 443 2HE2 GLN 55 2HE2 GLN 55 -8.555 -3.732 -0.192 No H/Q in entry = 443 Start of MODEL 14 1 H1 LYS 1 2H LYS 1 -6.490 9.799 -20.407 2 H2 LYS 1 1H LYS 1 -8.094 9.949 -19.866 3 H3 LYS 1 3H LYS 1 -7.002 8.966 -19.017 4 HA LYS 1 HA LYS 1 -7.407 7.220 -20.300 5 1HB LYS 1 2HB LYS 1 -9.475 9.108 -21.467 6 2HB LYS 1 1HB LYS 1 -9.467 7.360 -21.704 7 1HG LYS 1 2HG LYS 1 -9.566 7.070 -19.221 8 2HG LYS 1 1HG LYS 1 -9.706 8.820 -19.055 9 1HD LYS 1 2HD LYS 1 -11.752 8.743 -20.494 10 2HD LYS 1 1HD LYS 1 -11.638 6.983 -20.502 11 1HE LYS 1 2HE LYS 1 -11.669 8.494 -17.897 12 2HE LYS 1 1HE LYS 1 -13.179 8.127 -18.732 13 1HZ LYS 1 1HZ LYS 1 -11.282 5.939 -18.451 14 2HZ LYS 1 3HZ LYS 1 -12.035 6.463 -17.025 15 3HZ LYS 1 2HZ LYS 1 -12.977 5.932 -18.335 16 H ASN 2 H ASN 2 -5.442 7.116 -21.484 17 HA ASN 2 HA ASN 2 -5.422 8.456 -24.144 18 1HB ASN 2 2HB ASN 2 -3.447 8.642 -22.527 19 2HB ASN 2 1HB ASN 2 -3.147 6.935 -22.852 20 1HD2 ASN 2 1HD2 ASN 2 -1.034 7.908 -23.790 21 2HD2 ASN 2 2HD2 ASN 2 -1.067 8.415 -25.409 22 H GLU 3 H GLU 3 -5.800 7.255 -25.948 23 HA GLU 3 HA GLU 3 -6.554 4.497 -25.788 24 1HB GLU 3 2HB GLU 3 -7.281 6.101 -27.583 25 2HB GLU 3 1HB GLU 3 -5.655 6.008 -28.258 26 1HG GLU 3 2HG GLU 3 -5.926 3.535 -28.468 27 2HG GLU 3 1HG GLU 3 -7.587 3.697 -27.897 28 H ASP 4 H ASP 4 -3.485 6.091 -26.361 29 HA ASP 4 HA ASP 4 -2.064 3.926 -27.543 30 1HB ASP 4 2HB ASP 4 -1.298 6.368 -27.172 31 2HB ASP 4 1HB ASP 4 -0.828 5.834 -25.555 32 H GLN 5 H GLN 5 -3.122 4.487 -24.264 33 HA GLN 5 HA GLN 5 -1.328 2.675 -22.943 34 1HB GLN 5 2HB GLN 5 -4.128 3.607 -22.251 35 2HB GLN 5 1HB GLN 5 -3.142 2.611 -21.180 36 1HG GLN 5 2HG GLN 5 -1.405 4.338 -21.131 37 2HG GLN 5 1HG GLN 5 -2.326 5.323 -22.268 38 1HE2 GLN 5 1HE2 GLN 5 -1.712 6.429 -19.758 39 2HE2 GLN 5 2HE2 GLN 5 -3.121 6.528 -18.817 40 H GLU 6 H GLU 6 -4.413 2.238 -24.611 41 HA GLU 6 HA GLU 6 -5.004 -0.406 -23.790 42 1HB GLU 6 2HB GLU 6 -6.458 1.126 -25.203 43 2HB GLU 6 1HB GLU 6 -5.450 0.684 -26.581 44 1HG GLU 6 2HG GLU 6 -5.998 -1.695 -26.222 45 2HG GLU 6 1HG GLU 6 -7.001 -1.258 -24.839 46 H MET 7 H MET 7 -2.936 0.746 -26.454 47 HA MET 7 HA MET 7 -2.288 -1.867 -27.452 48 1HB MET 7 2HB MET 7 -0.742 0.738 -27.610 49 2HB MET 7 1HB MET 7 -0.378 -0.707 -28.551 50 1HG MET 7 2HG MET 7 -2.477 -0.595 -29.700 51 2HG MET 7 1HG MET 7 -3.091 0.631 -28.591 52 1HE MET 7 1HE MET 7 -3.429 0.759 -31.397 53 2HE MET 7 3HE MET 7 -3.691 2.402 -30.798 54 3HE MET 7 2HE MET 7 -2.663 2.126 -32.202 55 H CYS 8 H CYS 8 -1.203 -0.074 -24.692 56 HA CYS 8 HA CYS 8 1.335 -1.453 -24.390 57 1HB CYS 8 2HB CYS 8 -0.350 0.055 -22.370 58 2HB CYS 8 1HB CYS 8 1.309 -0.481 -22.106 59 H HIS 9 H HIS 9 -1.958 -1.953 -23.178 60 HA HIS 9 HA HIS 9 -1.575 -3.883 -21.221 61 1HB HIS 9 2HB HIS 9 -3.823 -3.330 -21.667 62 2HB HIS 9 1HB HIS 9 -3.649 -3.620 -23.396 63 HD1 HIS 9 HD1 HIS 9 -2.998 -6.292 -23.935 64 HD2 HIS 9 HD2 HIS 9 -5.026 -5.460 -20.390 65 HE1 HIS 9 HE1 HIS 9 -4.025 -8.473 -23.173 66 H GLU 10 H GLU 10 -1.530 -4.392 -24.753 67 HA GLU 10 HA GLU 10 -0.926 -7.212 -24.562 68 1HB GLU 10 2HB GLU 10 -1.916 -6.123 -26.588 69 2HB GLU 10 1HB GLU 10 -0.370 -5.320 -26.866 70 1HG GLU 10 2HG GLU 10 0.721 -7.582 -26.925 71 2HG GLU 10 1HG GLU 10 -0.883 -8.308 -26.825 72 H PHE 11 H PHE 11 1.081 -4.293 -25.077 73 HA PHE 11 HA PHE 11 3.540 -5.802 -25.263 74 1HB PHE 11 2HB PHE 11 2.762 -3.071 -25.523 75 2HB PHE 11 1HB PHE 11 4.030 -3.138 -24.301 76 HD1 PHE 11 HD1 PHE 11 5.376 -5.692 -25.443 77 HD2 PHE 11 HD2 PHE 11 4.106 -2.004 -27.252 78 HE1 PHE 11 HE1 PHE 11 7.063 -5.983 -27.231 79 HE2 PHE 11 HE2 PHE 11 5.796 -2.302 -29.036 80 HZ PHE 11 HZ PHE 11 7.274 -4.291 -29.029 81 H GLN 12 H GLN 12 1.485 -5.312 -22.690 82 HA GLN 12 HA GLN 12 3.468 -4.899 -20.595 83 1HB GLN 12 2HB GLN 12 0.540 -5.596 -20.657 84 2HB GLN 12 1HB GLN 12 1.452 -5.743 -19.154 85 1HG GLN 12 2HG GLN 12 2.162 -3.386 -19.356 86 2HG GLN 12 1HG GLN 12 1.246 -3.239 -20.856 87 1HE2 GLN 12 1HE2 GLN 12 0.496 -1.506 -18.847 88 2HE2 GLN 12 2HE2 GLN 12 -0.970 -1.994 -18.144 89 H ALA 13 H ALA 13 1.905 -7.672 -22.123 90 HA ALA 13 HA ALA 13 2.797 -9.626 -20.200 91 1HB ALA 13 2HB ALA 13 1.695 -9.687 -22.976 92 2HB ALA 13 3HB ALA 13 1.140 -10.531 -21.530 93 3HB ALA 13 1HB ALA 13 2.551 -11.121 -22.409 94 H PHE 14 H PHE 14 4.308 -8.005 -22.888 95 HA PHE 14 HA PHE 14 6.544 -9.908 -23.027 96 1HB PHE 14 2HB PHE 14 6.083 -7.204 -24.322 97 2HB PHE 14 1HB PHE 14 7.491 -8.221 -24.627 98 HD1 PHE 14 HD1 PHE 14 7.191 -10.496 -25.645 99 HD2 PHE 14 HD2 PHE 14 3.959 -7.685 -25.316 100 HE1 PHE 14 HE1 PHE 14 5.898 -11.787 -27.321 101 HE2 PHE 14 HE2 PHE 14 2.666 -8.976 -26.993 102 HZ PHE 14 HZ PHE 14 3.635 -11.027 -27.995 103 H MET 15 H MET 15 5.656 -7.510 -20.897 104 HA MET 15 HA MET 15 8.291 -6.317 -20.468 105 1HB MET 15 2HB MET 15 5.904 -5.341 -19.940 106 2HB MET 15 1HB MET 15 6.079 -6.245 -18.436 107 1HG MET 15 2HG MET 15 8.198 -4.337 -19.453 108 2HG MET 15 1HG MET 15 6.901 -3.832 -18.369 109 1HE MET 15 3HE MET 15 6.305 -4.963 -16.245 110 2HE MET 15 2HE MET 15 6.557 -6.655 -16.668 111 3HE MET 15 1HE MET 15 7.353 -5.981 -15.248 112 H LYS 16 H LYS 16 9.847 -7.067 -19.083 113 HA LYS 16 HA LYS 16 9.099 -9.113 -17.060 114 1HB LYS 16 2HB LYS 16 9.919 -10.209 -19.211 115 2HB LYS 16 1HB LYS 16 11.482 -9.458 -18.893 116 1HG LYS 16 2HG LYS 16 11.584 -10.592 -16.703 117 2HG LYS 16 1HG LYS 16 10.016 -11.337 -17.015 118 1HD LYS 16 2HD LYS 16 10.953 -12.465 -19.006 119 2HD LYS 16 1HD LYS 16 12.522 -11.728 -18.682 120 1HE LYS 16 2HE LYS 16 12.560 -13.968 -17.770 121 2HE LYS 16 1HE LYS 16 12.483 -12.840 -16.417 122 1HZ LYS 16 3HZ LYS 16 10.063 -14.051 -17.615 123 2HZ LYS 16 2HZ LYS 16 10.909 -14.785 -16.338 124 3HZ LYS 16 1HZ LYS 16 10.205 -13.253 -16.125 125 H ASN 17 H ASN 17 10.442 -9.062 -15.217 126 HA ASN 17 HA ASN 17 11.815 -7.975 -13.646 127 1HB ASN 17 2HB ASN 17 13.412 -9.032 -15.489 128 2HB ASN 17 1HB ASN 17 13.746 -7.337 -15.844 129 1HD2 ASN 17 1HD2 ASN 17 15.826 -8.898 -14.786 130 2HD2 ASN 17 2HD2 ASN 17 16.133 -8.431 -13.183 131 H GLY 18 H GLY 18 9.859 -6.328 -15.150 132 1HA GLY 18 1HA GLY 18 10.855 -3.722 -14.330 133 2HA GLY 18 2HA GLY 18 9.302 -4.035 -15.106 134 H LYS 19 H LYS 19 11.059 -5.596 -17.172 135 HA LYS 19 HA LYS 19 11.917 -3.179 -18.711 136 1HB LYS 19 2HB LYS 19 13.708 -4.878 -18.019 137 2HB LYS 19 1HB LYS 19 12.924 -5.998 -19.131 138 1HG LYS 19 2HG LYS 19 13.168 -3.635 -20.601 139 2HG LYS 19 1HG LYS 19 14.687 -3.745 -19.712 140 1HD LYS 19 2HD LYS 19 14.652 -6.249 -20.488 141 2HD LYS 19 1HD LYS 19 13.520 -5.668 -21.709 142 1HE LYS 19 2HE LYS 19 15.505 -5.321 -22.843 143 2HE LYS 19 1HE LYS 19 15.379 -3.776 -22.002 144 1HZ LYS 19 2HZ LYS 19 16.654 -4.948 -20.148 145 2HZ LYS 19 1HZ LYS 19 17.050 -6.112 -21.321 146 3HZ LYS 19 3HZ LYS 19 17.520 -4.497 -21.539 147 H LEU 20 H LEU 20 11.111 -2.980 -20.808 148 HA LEU 20 HA LEU 20 8.931 -4.860 -21.515 149 1HB LEU 20 2HB LEU 20 8.310 -2.547 -21.690 150 2HB LEU 20 1HB LEU 20 9.765 -2.163 -22.609 151 HG LEU 20 HG LEU 20 8.955 -3.738 -24.402 152 1HD1 LEU 20 2HD1 LEU 20 7.032 -4.333 -22.358 153 2HD1 LEU 20 1HD1 LEU 20 6.182 -3.695 -23.765 154 3HD1 LEU 20 3HD1 LEU 20 7.232 -5.103 -23.931 155 1HD2 LEU 20 1HD2 LEU 20 7.254 -1.360 -23.621 156 2HD2 LEU 20 3HD2 LEU 20 8.613 -1.388 -24.744 157 3HD2 LEU 20 2HD2 LEU 20 7.102 -2.190 -25.172 158 H PHE 21 H PHE 21 9.068 -6.251 -23.249 159 HA PHE 21 HA PHE 21 11.703 -6.403 -24.603 160 1HB PHE 21 2HB PHE 21 9.360 -8.317 -24.445 161 2HB PHE 21 1HB PHE 21 10.780 -8.608 -25.450 162 HD1 PHE 21 HD1 PHE 21 12.926 -7.486 -23.712 163 HD2 PHE 21 HD2 PHE 21 9.543 -9.949 -22.741 164 HE1 PHE 21 HE1 PHE 21 14.137 -8.371 -21.738 165 HE2 PHE 21 HE2 PHE 21 10.756 -10.838 -20.769 166 HZ PHE 21 HZ PHE 21 13.053 -10.049 -20.268 167 H CYS 22 H CYS 22 11.920 -5.578 -26.616 168 HA CYS 22 HA CYS 22 9.447 -4.950 -28.155 169 1HB CYS 22 2HB CYS 22 12.286 -3.936 -28.502 170 2HB CYS 22 1HB CYS 22 10.888 -3.406 -29.437 171 HA PRO 23 HA PRO 23 11.422 -8.605 -30.371 172 1HB PRO 23 2HB PRO 23 9.133 -10.009 -30.667 173 2HB PRO 23 1HB PRO 23 10.160 -10.144 -29.238 174 1HG PRO 23 2HG PRO 23 7.646 -8.566 -29.625 175 2HG PRO 23 1HG PRO 23 8.142 -9.545 -28.241 176 1HD PRO 23 2HD PRO 23 8.365 -6.847 -28.255 177 2HD PRO 23 1HD PRO 23 9.499 -7.884 -27.390 178 H GLN 24 H GLN 24 10.924 -9.294 -32.616 179 HA GLN 24 HA GLN 24 9.515 -7.122 -34.086 180 1HB GLN 24 2HB GLN 24 11.893 -7.694 -34.684 181 2HB GLN 24 1HB GLN 24 11.327 -9.284 -35.197 182 1HG GLN 24 2HG GLN 24 9.837 -8.249 -36.846 183 2HG GLN 24 1HG GLN 24 10.320 -6.643 -36.301 184 1HE2 GLN 24 1HE2 GLN 24 10.778 -7.178 -38.974 185 2HE2 GLN 24 2HE2 GLN 24 12.431 -7.436 -39.260 186 H ASP 25 H ASP 25 7.431 -7.585 -34.579 187 HA ASP 25 HA ASP 25 6.669 -10.432 -35.012 188 1HB ASP 25 2HB ASP 25 4.357 -9.661 -34.708 189 2HB ASP 25 1HB ASP 25 5.353 -9.139 -33.350 190 H LYS 26 H LYS 26 5.006 -10.763 -36.805 191 HA LYS 26 HA LYS 26 5.989 -9.384 -39.228 192 1HB LYS 26 2HB LYS 26 4.103 -11.735 -38.884 193 2HB LYS 26 1HB LYS 26 4.669 -11.114 -40.434 194 1HG LYS 26 2HG LYS 26 7.016 -11.544 -39.710 195 2HG LYS 26 1HG LYS 26 6.400 -12.249 -38.216 196 1HD LYS 26 2HD LYS 26 5.124 -13.912 -39.569 197 2HD LYS 26 1HD LYS 26 5.851 -13.242 -41.029 198 1HE LYS 26 2HE LYS 26 7.506 -14.273 -38.716 199 2HE LYS 26 1HE LYS 26 7.007 -15.304 -40.057 200 1HZ LYS 26 1HZ LYS 26 8.515 -12.763 -40.355 201 2HZ LYS 26 3HZ LYS 26 9.220 -14.306 -40.370 202 3HZ LYS 26 2HZ LYS 26 8.124 -13.863 -41.591 203 H LYS 27 H LYS 27 3.697 -8.681 -37.007 204 HA LYS 27 HA LYS 27 1.811 -7.613 -39.070 205 1HB LYS 27 2HB LYS 27 0.850 -9.289 -37.448 206 2HB LYS 27 1HB LYS 27 1.209 -8.153 -36.148 207 1HG LYS 27 2HG LYS 27 -0.958 -7.505 -36.619 208 2HG LYS 27 1HG LYS 27 -0.101 -6.475 -37.765 209 1HD LYS 27 2HD LYS 27 -0.339 -8.690 -39.279 210 2HD LYS 27 1HD LYS 27 -1.765 -8.894 -38.262 211 1HE LYS 27 2HE LYS 27 -2.827 -7.073 -39.157 212 2HE LYS 27 1HE LYS 27 -1.326 -6.167 -39.350 213 1HZ LYS 27 3HZ LYS 27 -1.934 -8.529 -41.019 214 2HZ LYS 27 2HZ LYS 27 -2.480 -6.978 -41.445 215 3HZ LYS 27 1HZ LYS 27 -0.815 -7.288 -41.312 216 HA PRO 28 HA PRO 28 3.984 -3.974 -37.137 217 1HB PRO 28 2HB PRO 28 4.141 -2.560 -39.435 218 2HB PRO 28 1HB PRO 28 5.346 -3.759 -38.960 219 1HG PRO 28 2HG PRO 28 3.056 -4.024 -40.871 220 2HG PRO 28 1HG PRO 28 4.716 -4.603 -41.039 221 1HD PRO 28 1HD PRO 28 2.687 -6.239 -40.314 222 2HD PRO 28 2HD PRO 28 4.334 -6.468 -39.728 223 H ILE 29 H ILE 29 2.755 -2.412 -36.208 224 HA ILE 29 HA ILE 29 0.132 -1.748 -37.463 225 HB ILE 29 HB ILE 29 0.231 -2.604 -35.068 226 1HG1 ILE 29 2HG1 ILE 29 -0.933 0.092 -35.776 227 2HG1 ILE 29 1HG1 ILE 29 -1.754 -1.466 -35.718 228 1HG2 ILE 29 1HG2 ILE 29 2.214 -0.569 -34.922 229 2HG2 ILE 29 3HG2 ILE 29 0.886 -0.064 -33.880 230 3HG2 ILE 29 2HG2 ILE 29 1.665 -1.625 -33.623 231 1HD1 ILE 29 2HD1 ILE 29 -0.585 -0.015 -33.329 232 2HD1 ILE 29 1HD1 ILE 29 -2.296 -0.045 -33.757 233 3HD1 ILE 29 3HD1 ILE 29 -1.479 -1.535 -33.284 234 H GLN 30 H GLN 30 -0.512 0.539 -37.475 235 HA GLN 30 HA GLN 30 1.838 2.319 -37.866 236 1HB GLN 30 2HB GLN 30 -1.074 2.567 -38.673 237 2HB GLN 30 1HB GLN 30 0.103 3.865 -38.880 238 1HG GLN 30 2HG GLN 30 1.514 2.338 -40.241 239 2HG GLN 30 1HG GLN 30 0.287 1.082 -40.076 240 1HE2 GLN 30 1HE2 GLN 30 0.977 2.062 -42.657 241 2HE2 GLN 30 2HE2 GLN 30 -0.333 2.944 -43.279 242 H SER 31 H SER 31 2.401 3.395 -36.033 243 HA SER 31 HA SER 31 0.416 3.921 -33.940 244 1HB SER 31 2HB SER 31 3.143 3.485 -33.943 245 2HB SER 31 1HB SER 31 3.027 5.223 -33.658 246 HG SER 31 HG SER 31 1.265 3.590 -32.265 247 H LEU 32 H LEU 32 1.145 6.356 -32.933 248 HA LEU 32 HA LEU 32 0.593 8.271 -35.162 249 1HB LEU 32 2HB LEU 32 -0.854 9.509 -33.477 250 2HB LEU 32 1HB LEU 32 -1.504 7.963 -34.025 251 HG LEU 32 HG LEU 32 0.251 7.598 -31.738 252 1HD1 LEU 32 2HD1 LEU 32 -2.110 9.477 -31.430 253 2HD1 LEU 32 1HD1 LEU 32 -1.286 8.688 -30.084 254 3HD1 LEU 32 3HD1 LEU 32 -0.419 9.847 -31.093 255 1HD2 LEU 32 2HD2 LEU 32 -2.698 7.092 -32.240 256 2HD2 LEU 32 1HD2 LEU 32 -1.383 5.945 -32.497 257 3HD2 LEU 32 3HD2 LEU 32 -1.791 6.466 -30.861 258 H ASP 33 H ASP 33 2.737 7.405 -32.805 259 HA ASP 33 HA ASP 33 3.371 10.114 -31.846 260 1HB ASP 33 2HB ASP 33 4.654 7.409 -31.417 261 2HB ASP 33 1HB ASP 33 5.320 8.901 -30.753 262 H GLY 34 H GLY 34 3.786 8.767 -34.750 263 1HA GLY 34 1HA GLY 34 6.284 10.304 -35.223 264 2HA GLY 34 2HA GLY 34 5.141 9.802 -36.468 265 H ILE 35 H ILE 35 5.433 7.161 -34.552 266 HA ILE 35 HA ILE 35 7.760 6.116 -36.119 267 HB ILE 35 HB ILE 35 6.783 5.169 -33.408 268 1HG1 ILE 35 2HG1 ILE 35 9.408 6.536 -33.815 269 2HG1 ILE 35 1HG1 ILE 35 7.960 7.540 -33.760 270 1HG2 ILE 35 1HG2 ILE 35 9.234 4.511 -35.068 271 2HG2 ILE 35 3HG2 ILE 35 8.976 3.975 -33.408 272 3HG2 ILE 35 2HG2 ILE 35 7.901 3.419 -34.690 273 1HD1 ILE 35 1HD1 ILE 35 7.542 5.837 -31.643 274 2HD1 ILE 35 3HD1 ILE 35 9.293 6.044 -31.598 275 3HD1 ILE 35 2HD1 ILE 35 8.235 7.453 -31.505 276 H MET 36 H MET 36 7.582 3.688 -36.507 277 HA MET 36 HA MET 36 4.732 3.014 -37.118 278 1HB MET 36 2HB MET 36 7.320 2.110 -38.412 279 2HB MET 36 1HB MET 36 5.733 1.459 -38.822 280 1HG MET 36 2HG MET 36 4.986 3.809 -39.335 281 2HG MET 36 1HG MET 36 6.654 4.334 -39.101 282 1HE MET 36 1HE MET 36 4.941 1.181 -40.648 283 2HE MET 36 3HE MET 36 4.062 2.589 -41.261 284 3HE MET 36 2HE MET 36 4.987 1.574 -42.365 285 H PHE 37 H PHE 37 3.993 1.728 -35.480 286 HA PHE 37 HA PHE 37 3.800 -0.156 -34.110 287 1HB PHE 37 2HB PHE 37 4.336 -1.454 -36.100 288 2HB PHE 37 1HB PHE 37 6.058 -1.174 -35.848 289 HD1 PHE 37 HD1 PHE 37 3.029 -2.775 -34.398 290 HD2 PHE 37 HD2 PHE 37 7.311 -2.464 -34.277 291 HE1 PHE 37 HE1 PHE 37 3.128 -4.735 -32.882 292 HE2 PHE 37 HE2 PHE 37 7.410 -4.423 -32.760 293 HZ PHE 37 HZ PHE 37 5.319 -5.559 -32.062 294 H ILE 38 H ILE 38 7.295 0.338 -34.705 295 HA ILE 38 HA ILE 38 8.320 -0.469 -32.265 296 HB ILE 38 HB ILE 38 9.100 2.079 -33.720 297 1HG1 ILE 38 2HG1 ILE 38 9.188 0.252 -35.278 298 2HG1 ILE 38 1HG1 ILE 38 10.842 0.536 -34.737 299 1HG2 ILE 38 3HG2 ILE 38 10.340 0.432 -31.540 300 2HG2 ILE 38 2HG2 ILE 38 11.389 1.253 -32.696 301 3HG2 ILE 38 1HG2 ILE 38 10.266 2.186 -31.707 302 1HD1 ILE 38 1HD1 ILE 38 10.599 -1.283 -33.074 303 2HD1 ILE 38 3HD1 ILE 38 8.957 -1.577 -33.646 304 3HD1 ILE 38 2HD1 ILE 38 10.328 -1.872 -34.715 305 H ASN 39 H ASN 39 6.320 2.310 -32.936 306 HA ASN 39 HA ASN 39 6.780 3.873 -30.629 307 1HB ASN 39 2HB ASN 39 5.287 4.473 -32.588 308 2HB ASN 39 1HB ASN 39 4.072 3.399 -31.898 309 1HD2 ASN 39 1HD2 ASN 39 2.536 4.768 -30.943 310 2HD2 ASN 39 2HD2 ASN 39 2.907 6.046 -29.890 311 H LYS 40 H LYS 40 4.334 1.274 -31.083 312 HA LYS 40 HA LYS 40 3.172 1.257 -28.585 313 1HB LYS 40 2HB LYS 40 4.055 -1.113 -30.248 314 2HB LYS 40 1HB LYS 40 3.060 -1.276 -28.801 315 1HG LYS 40 2HG LYS 40 1.549 0.525 -29.965 316 2HG LYS 40 1HG LYS 40 2.373 0.001 -31.434 317 1HD LYS 40 2HD LYS 40 1.746 -2.361 -30.881 318 2HD LYS 40 1HD LYS 40 0.817 -1.755 -29.511 319 1HE LYS 40 2HE LYS 40 -0.203 -0.183 -31.447 320 2HE LYS 40 1HE LYS 40 0.235 -1.585 -32.423 321 1HZ LYS 40 1HZ LYS 40 -1.210 -1.961 -29.890 322 2HZ LYS 40 3HZ LYS 40 -2.063 -1.499 -31.282 323 3HZ LYS 40 2HZ LYS 40 -1.183 -2.951 -31.271 324 H CYS 41 H CYS 41 6.274 -0.243 -29.418 325 HA CYS 41 HA CYS 41 6.801 -0.992 -26.636 326 1HB CYS 41 2HB CYS 41 7.708 -1.921 -29.029 327 2HB CYS 41 1HB CYS 41 9.036 -0.861 -28.574 328 H ALA 42 H ALA 42 7.586 1.624 -28.829 329 HA ALA 42 HA ALA 42 9.614 2.790 -27.082 330 1HB ALA 42 3HB ALA 42 10.109 3.993 -28.919 331 2HB ALA 42 2HB ALA 42 8.840 3.102 -29.762 332 3HB ALA 42 1HB ALA 42 8.472 4.646 -28.995 333 H THR 43 H THR 43 6.137 2.976 -27.288 334 HA THR 43 HA THR 43 6.201 5.449 -25.608 335 HB THR 43 HB THR 43 3.543 4.589 -26.381 336 HG1 THR 43 HG1 THR 43 5.330 5.174 -28.495 337 1HG2 THR 43 3HG2 THR 43 4.739 6.912 -25.770 338 2HG2 THR 43 2HG2 THR 43 4.858 7.001 -27.527 339 3HG2 THR 43 1HG2 THR 43 3.280 6.839 -26.758 340 H CYS 44 H CYS 44 5.269 2.075 -25.662 341 HA CYS 44 HA CYS 44 3.771 2.256 -23.157 342 1HB CYS 44 2HB CYS 44 4.764 -0.084 -24.801 343 2HB CYS 44 1HB CYS 44 3.844 -0.269 -23.308 344 H LYS 45 H LYS 45 7.077 1.694 -24.125 345 HA LYS 45 HA LYS 45 8.088 0.323 -21.880 346 1HB LYS 45 2HB LYS 45 9.386 1.004 -23.947 347 2HB LYS 45 1HB LYS 45 9.481 2.629 -23.270 348 1HG LYS 45 2HG LYS 45 10.620 1.750 -21.278 349 2HG LYS 45 1HG LYS 45 10.492 0.110 -21.915 350 1HD LYS 45 2HD LYS 45 11.813 0.838 -23.913 351 2HD LYS 45 1HD LYS 45 12.026 2.415 -23.153 352 1HE LYS 45 2HE LYS 45 12.725 0.031 -21.511 353 2HE LYS 45 1HE LYS 45 13.807 0.419 -22.849 354 1HZ LYS 45 1HZ LYS 45 12.950 2.312 -20.727 355 2HZ LYS 45 3HZ LYS 45 14.458 1.541 -20.803 356 3HZ LYS 45 2HZ LYS 45 14.017 2.660 -22.003 357 H MET 46 H MET 46 7.552 3.825 -22.309 358 HA MET 46 HA MET 46 8.368 4.415 -19.566 359 1HB MET 46 2HB MET 46 6.865 6.117 -21.581 360 2HB MET 46 1HB MET 46 7.575 6.697 -20.075 361 1HG MET 46 2HG MET 46 9.811 5.953 -20.875 362 2HG MET 46 1HG MET 46 9.079 5.457 -22.401 363 1HE MET 46 2HE MET 46 7.512 6.798 -23.592 364 2HE MET 46 1HE MET 46 6.841 8.182 -22.732 365 3HE MET 46 3HE MET 46 7.884 8.432 -24.139 366 H ILE 47 H ILE 47 5.466 3.471 -21.197 367 HA ILE 47 HA ILE 47 3.659 4.427 -19.106 368 HB ILE 47 HB ILE 47 3.217 2.477 -21.390 369 1HG1 ILE 47 2HG1 ILE 47 2.327 5.358 -21.131 370 2HG1 ILE 47 1HG1 ILE 47 3.821 4.891 -21.942 371 1HG2 ILE 47 1HG2 ILE 47 1.527 3.406 -19.155 372 2HG2 ILE 47 3HG2 ILE 47 0.781 3.557 -20.747 373 3HG2 ILE 47 2HG2 ILE 47 1.349 1.984 -20.184 374 1HD1 ILE 47 1HD1 ILE 47 1.171 3.648 -22.682 375 2HD1 ILE 47 3HD1 ILE 47 1.712 5.160 -23.410 376 3HD1 ILE 47 2HD1 ILE 47 2.661 3.689 -23.625 377 H LEU 48 H LEU 48 5.441 1.482 -19.835 378 HA LEU 48 HA LEU 48 3.965 -0.142 -17.910 379 1HB LEU 48 2HB LEU 48 6.672 -0.581 -19.212 380 2HB LEU 48 1HB LEU 48 5.812 -1.777 -18.246 381 HG LEU 48 HG LEU 48 5.099 -0.678 -20.958 382 1HD1 LEU 48 2HD1 LEU 48 5.360 -3.416 -19.699 383 2HD1 LEU 48 1HD1 LEU 48 4.647 -3.166 -21.293 384 3HD1 LEU 48 3HD1 LEU 48 6.331 -2.728 -21.001 385 1HD2 LEU 48 3HD2 LEU 48 3.231 -1.919 -18.921 386 2HD2 LEU 48 2HD2 LEU 48 3.050 -0.364 -19.733 387 3HD2 LEU 48 1HD2 LEU 48 2.873 -1.862 -20.647 388 H GLU 49 H GLU 49 6.609 2.096 -17.811 389 HA GLU 49 HA GLU 49 7.769 1.163 -15.323 390 1HB GLU 49 2HB GLU 49 7.883 3.853 -16.722 391 2HB GLU 49 1HB GLU 49 8.830 3.441 -15.292 392 1HG GLU 49 2HG GLU 49 9.892 1.589 -16.509 393 2HG GLU 49 1HG GLU 49 8.916 1.949 -17.933 394 H LYS 50 H LYS 50 5.262 3.500 -16.207 395 HA LYS 50 HA LYS 50 4.878 4.780 -13.732 396 1HB LYS 50 2HB LYS 50 3.660 5.354 -15.831 397 2HB LYS 50 1HB LYS 50 2.710 3.879 -15.655 398 1HG LYS 50 2HG LYS 50 1.830 4.668 -13.510 399 2HG LYS 50 1HG LYS 50 2.834 6.115 -13.608 400 1HD LYS 50 2HD LYS 50 0.593 6.688 -14.349 401 2HD LYS 50 1HD LYS 50 1.662 6.705 -15.751 402 1HE LYS 50 2HE LYS 50 0.598 4.951 -16.725 403 2HE LYS 50 1HE LYS 50 0.466 4.072 -15.202 404 1HZ LYS 50 2HZ LYS 50 -1.208 6.430 -15.844 405 2HZ LYS 50 1HZ LYS 50 -1.682 4.840 -16.209 406 3HZ LYS 50 3HZ LYS 50 -1.431 5.299 -14.596 407 H GLU 51 H GLU 51 3.815 1.584 -14.814 408 HA GLU 51 HA GLU 51 2.098 0.990 -12.611 409 1HB GLU 51 2HB GLU 51 2.243 -0.368 -14.705 410 2HB GLU 51 1HB GLU 51 3.829 -0.940 -14.188 411 1HG GLU 51 2HG GLU 51 2.235 -2.612 -13.519 412 2HG GLU 51 1HG GLU 51 2.720 -1.756 -12.056 413 H ALA 52 H ALA 52 5.591 0.904 -12.985 414 HA ALA 52 HA ALA 52 6.195 -0.671 -10.670 415 1HB ALA 52 1HB ALA 52 7.658 0.638 -12.662 416 2HB ALA 52 3HB ALA 52 8.131 1.449 -11.170 417 3HB ALA 52 2HB ALA 52 8.325 -0.297 -11.324 418 H LYS 53 H LYS 53 5.266 2.674 -11.092 419 HA LYS 53 HA LYS 53 4.811 4.351 -9.518 420 1HB LYS 53 2HB LYS 53 4.702 1.964 -7.648 421 2HB LYS 53 1HB LYS 53 4.093 3.578 -7.280 422 1HG LYS 53 2HG LYS 53 2.555 3.410 -9.232 423 2HG LYS 53 1HG LYS 53 3.127 1.765 -9.514 424 1HD LYS 53 2HD LYS 53 2.379 1.148 -7.217 425 2HD LYS 53 1HD LYS 53 1.732 2.776 -7.017 426 1HE LYS 53 2HE LYS 53 -0.185 1.988 -7.921 427 2HE LYS 53 1HE LYS 53 0.679 1.934 -9.457 428 1HZ LYS 53 1HZ LYS 53 1.225 -0.307 -7.738 429 2HZ LYS 53 3HZ LYS 53 -0.402 -0.199 -8.205 430 3HZ LYS 53 2HZ LYS 53 0.816 -0.276 -9.386 431 H SER 54 H SER 54 7.478 4.134 -10.125 432 HA SER 54 HA SER 54 9.237 3.671 -7.932 433 1HB SER 54 2HB SER 54 10.878 4.930 -9.193 434 2HB SER 54 1HB SER 54 9.925 3.985 -10.337 435 HG SER 54 HG SER 54 10.299 6.339 -10.755 436 H GLN 55 H GLN 55 7.167 6.377 -8.726 437 HA GLN 55 HA GLN 55 8.182 7.766 -6.277 438 1HB GLN 55 2HB GLN 55 7.194 8.987 -8.872 439 2HB GLN 55 1HB GLN 55 7.534 9.907 -7.407 440 1HG GLN 55 2HG GLN 55 9.869 9.129 -7.446 441 2HG GLN 55 1HG GLN 55 9.536 8.176 -8.892 442 1HE2 GLN 55 1HE2 GLN 55 11.508 10.237 -8.947 443 2HE2 GLN 55 2HE2 GLN 55 10.951 11.498 -9.937 No H/Q in entry = 443 Start of MODEL 15 1 H1 LYS 1 1H LYS 1 -8.426 -0.191 -9.898 2 H2 LYS 1 3H LYS 1 -6.987 -0.110 -9.004 3 H3 LYS 1 2H LYS 1 -7.565 -1.613 -9.545 4 HA LYS 1 HA LYS 1 -9.058 -1.815 -7.895 5 1HB LYS 1 2HB LYS 1 -7.185 0.303 -6.795 6 2HB LYS 1 1HB LYS 1 -8.254 -0.699 -5.813 7 1HG LYS 1 2HG LYS 1 -7.131 -2.730 -6.745 8 2HG LYS 1 1HG LYS 1 -6.006 -1.675 -7.600 9 1HD LYS 1 2HD LYS 1 -5.350 -0.674 -5.402 10 2HD LYS 1 1HD LYS 1 -6.388 -1.850 -4.596 11 1HE LYS 1 2HE LYS 1 -4.838 -3.389 -6.336 12 2HE LYS 1 1HE LYS 1 -3.708 -2.199 -5.690 13 1HZ LYS 1 2HZ LYS 1 -5.518 -3.380 -3.760 14 2HZ LYS 1 1HZ LYS 1 -4.379 -4.449 -4.428 15 3HZ LYS 1 3HZ LYS 1 -3.858 -3.045 -3.632 16 H ASN 2 H ASN 2 -8.538 1.611 -8.664 17 HA ASN 2 HA ASN 2 -10.767 2.676 -7.264 18 1HB ASN 2 2HB ASN 2 -9.530 3.579 -9.884 19 2HB ASN 2 1HB ASN 2 -10.652 4.537 -8.916 20 1HD2 ASN 2 1HD2 ASN 2 -7.980 5.448 -9.424 21 2HD2 ASN 2 2HD2 ASN 2 -7.123 5.437 -7.959 22 H GLU 3 H GLU 3 -10.555 0.978 -10.338 23 HA GLU 3 HA GLU 3 -13.131 1.655 -11.362 24 1HB GLU 3 2HB GLU 3 -11.343 0.478 -12.659 25 2HB GLU 3 1HB GLU 3 -11.647 -0.969 -11.698 26 1HG GLU 3 2HG GLU 3 -14.035 -0.905 -12.452 27 2HG GLU 3 1HG GLU 3 -13.627 0.449 -13.506 28 H ASP 4 H ASP 4 -12.095 -0.660 -8.929 29 HA ASP 4 HA ASP 4 -14.479 -2.229 -8.814 30 1HB ASP 4 2HB ASP 4 -12.647 -1.511 -6.506 31 2HB ASP 4 1HB ASP 4 -13.719 -2.908 -6.607 32 H GLN 5 H GLN 5 -13.681 0.945 -7.560 33 HA GLN 5 HA GLN 5 -15.811 1.166 -5.655 34 1HB GLN 5 2HB GLN 5 -14.436 3.316 -7.296 35 2HB GLN 5 1HB GLN 5 -15.473 3.617 -5.902 36 1HG GLN 5 2HG GLN 5 -13.945 2.294 -4.481 37 2HG GLN 5 1HG GLN 5 -12.906 1.998 -5.876 38 1HE2 GLN 5 1HE2 GLN 5 -12.038 3.424 -3.483 39 2HE2 GLN 5 2HE2 GLN 5 -11.679 5.017 -3.946 40 H GLU 6 H GLU 6 -15.679 1.519 -9.144 41 HA GLU 6 HA GLU 6 -18.107 2.940 -9.554 42 1HB GLU 6 2HB GLU 6 -16.427 2.420 -11.336 43 2HB GLU 6 1HB GLU 6 -16.962 0.740 -11.300 44 1HG GLU 6 2HG GLU 6 -19.284 1.525 -11.822 45 2HG GLU 6 1HG GLU 6 -18.651 3.162 -11.994 46 H MET 7 H MET 7 -17.478 -0.480 -8.920 47 HA MET 7 HA MET 7 -20.128 -1.419 -9.499 48 1HB MET 7 2HB MET 7 -17.869 -2.467 -7.795 49 2HB MET 7 1HB MET 7 -19.427 -3.292 -7.853 50 1HG MET 7 2HG MET 7 -19.230 -3.371 -10.350 51 2HG MET 7 1HG MET 7 -17.610 -2.688 -10.205 52 1HE MET 7 1HE MET 7 -15.861 -3.715 -8.459 53 2HE MET 7 3HE MET 7 -17.091 -4.087 -7.244 54 3HE MET 7 2HE MET 7 -15.970 -5.336 -7.778 55 H CYS 8 H CYS 8 -18.675 0.104 -6.686 56 HA CYS 8 HA CYS 8 -20.804 -0.548 -4.851 57 1HB CYS 8 2HB CYS 8 -18.584 0.185 -4.061 58 2HB CYS 8 1HB CYS 8 -18.842 1.766 -4.800 59 H HIS 9 H HIS 9 -20.174 2.193 -7.013 60 HA HIS 9 HA HIS 9 -22.095 4.025 -6.248 61 1HB HIS 9 2HB HIS 9 -20.792 4.571 -8.156 62 2HB HIS 9 1HB HIS 9 -21.264 3.098 -9.001 63 HD1 HIS 9 HD1 HIS 9 -24.005 2.975 -9.459 64 HD2 HIS 9 HD2 HIS 9 -22.319 6.747 -8.909 65 HE1 HIS 9 HE1 HIS 9 -25.660 4.639 -10.399 66 H GLU 10 H GLU 10 -22.687 1.154 -8.292 67 HA GLU 10 HA GLU 10 -25.481 1.515 -8.596 68 1HB GLU 10 2HB GLU 10 -24.053 -0.156 -9.829 69 2HB GLU 10 1HB GLU 10 -24.045 -1.143 -8.368 70 1HG GLU 10 2HG GLU 10 -25.820 -1.925 -9.848 71 2HG GLU 10 1HG GLU 10 -26.545 -1.171 -8.428 72 H PHE 11 H PHE 11 -23.640 -0.078 -5.986 73 HA PHE 11 HA PHE 11 -26.094 -0.894 -4.634 74 1HB PHE 11 2HB PHE 11 -23.204 -1.250 -4.208 75 2HB PHE 11 1HB PHE 11 -24.115 -1.042 -2.716 76 HD1 PHE 11 HD1 PHE 11 -26.760 -2.280 -3.777 77 HD2 PHE 11 HD2 PHE 11 -22.663 -3.586 -3.919 78 HE1 PHE 11 HE1 PHE 11 -27.510 -4.629 -3.946 79 HE2 PHE 11 HE2 PHE 11 -23.424 -5.932 -4.084 80 HZ PHE 11 HZ PHE 11 -25.845 -6.458 -4.101 81 H GLN 12 H GLN 12 -24.872 2.074 -5.109 82 HA GLN 12 HA GLN 12 -25.110 3.098 -2.364 83 1HB GLN 12 2HB GLN 12 -24.710 4.434 -5.054 84 2HB GLN 12 1HB GLN 12 -24.903 5.344 -3.556 85 1HG GLN 12 2HG GLN 12 -22.957 4.206 -2.589 86 2HG GLN 12 1HG GLN 12 -22.781 3.233 -4.049 87 1HE2 GLN 12 1HE2 GLN 12 -20.654 4.916 -3.197 88 2HE2 GLN 12 2HE2 GLN 12 -20.489 6.196 -4.301 89 H ALA 13 H ALA 13 -27.085 2.838 -5.260 90 HA ALA 13 HA ALA 13 -29.185 4.597 -4.243 91 1HB ALA 13 2HB ALA 13 -29.672 2.542 -6.376 92 2HB ALA 13 1HB ALA 13 -30.282 4.193 -6.257 93 3HB ALA 13 3HB ALA 13 -28.608 3.904 -6.730 94 H PHE 14 H PHE 14 -28.345 1.232 -4.003 95 HA PHE 14 HA PHE 14 -31.017 0.433 -3.062 96 1HB PHE 14 2HB PHE 14 -28.371 -1.043 -3.211 97 2HB PHE 14 1HB PHE 14 -29.872 -1.769 -2.637 98 HD1 PHE 14 HD1 PHE 14 -31.857 -1.903 -4.190 99 HD2 PHE 14 HD2 PHE 14 -27.943 -0.758 -5.538 100 HE1 PHE 14 HE1 PHE 14 -32.526 -2.371 -6.532 101 HE2 PHE 14 HE2 PHE 14 -28.612 -1.225 -7.880 102 HZ PHE 14 HZ PHE 14 -30.904 -2.032 -8.377 103 H MET 15 H MET 15 -28.594 2.189 -1.704 104 HA MET 15 HA MET 15 -28.472 0.890 0.912 105 1HB MET 15 2HB MET 15 -26.708 2.454 -0.219 106 2HB MET 15 1HB MET 15 -27.717 3.759 0.405 107 1HG MET 15 2HG MET 15 -26.682 1.497 2.134 108 2HG MET 15 1HG MET 15 -25.834 3.033 1.945 109 1HE MET 15 2HE MET 15 -27.111 5.041 1.711 110 2HE MET 15 1HE MET 15 -28.740 5.360 2.303 111 3HE MET 15 3HE MET 15 -27.343 5.630 3.355 112 H LYS 16 H LYS 16 -29.813 1.283 2.630 113 HA LYS 16 HA LYS 16 -31.586 3.675 2.518 114 1HB LYS 16 2HB LYS 16 -32.704 1.498 1.655 115 2HB LYS 16 1HB LYS 16 -32.674 0.985 3.342 116 1HG LYS 16 2HG LYS 16 -33.902 3.033 3.983 117 2HG LYS 16 1HG LYS 16 -33.937 3.538 2.294 118 1HD LYS 16 2HD LYS 16 -35.259 1.582 1.690 119 2HD LYS 16 1HD LYS 16 -35.129 0.949 3.331 120 1HE LYS 16 2HE LYS 16 -36.152 3.699 3.231 121 2HE LYS 16 1HE LYS 16 -37.188 2.541 2.396 122 1HZ LYS 16 1HZ LYS 16 -36.916 1.121 4.460 123 2HZ LYS 16 3HZ LYS 16 -36.309 2.512 5.218 124 3HZ LYS 16 2HZ LYS 16 -37.894 2.503 4.605 125 H ASN 17 H ASN 17 -32.033 4.543 4.550 126 HA ASN 17 HA ASN 17 -31.579 4.987 6.814 127 1HB ASN 17 2HB ASN 17 -31.874 1.976 7.021 128 2HB ASN 17 1HB ASN 17 -32.080 3.142 8.328 129 1HD2 ASN 17 1HD2 ASN 17 -33.528 5.149 6.804 130 2HD2 ASN 17 2HD2 ASN 17 -35.053 4.506 6.430 131 H GLY 18 H GLY 18 -29.273 4.416 5.045 132 1HA GLY 18 1HA GLY 18 -27.256 4.160 7.118 133 2HA GLY 18 2HA GLY 18 -26.943 4.322 5.389 134 H LYS 19 H LYS 19 -28.907 1.967 5.039 135 HA LYS 19 HA LYS 19 -26.947 -0.175 5.764 136 1HB LYS 19 2HB LYS 19 -29.185 -0.226 6.983 137 2HB LYS 19 1HB LYS 19 -29.927 -0.548 5.415 138 1HG LYS 19 2HG LYS 19 -27.750 -2.327 5.597 139 2HG LYS 19 1HG LYS 19 -28.528 -2.374 7.179 140 1HD LYS 19 2HD LYS 19 -30.744 -2.516 5.762 141 2HD LYS 19 1HD LYS 19 -29.662 -3.081 4.489 142 1HE LYS 19 2HE LYS 19 -30.048 -5.116 5.467 143 2HE LYS 19 1HE LYS 19 -28.764 -4.586 6.555 144 1HZ LYS 19 2HZ LYS 19 -30.868 -3.449 7.702 145 2HZ LYS 19 1HZ LYS 19 -31.623 -4.811 7.023 146 3HZ LYS 19 3HZ LYS 19 -30.328 -5.010 8.100 147 H LEU 20 H LEU 20 -26.356 -1.557 4.096 148 HA LEU 20 HA LEU 20 -27.235 -0.765 1.389 149 1HB LEU 20 2HB LEU 20 -24.864 -1.061 1.622 150 2HB LEU 20 1HB LEU 20 -25.074 -2.627 2.406 151 HG LEU 20 HG LEU 20 -26.169 -3.442 0.272 152 1HD1 LEU 20 3HD1 LEU 20 -26.569 -0.981 -0.460 153 2HD1 LEU 20 2HD1 LEU 20 -24.896 -1.034 -1.018 154 3HD1 LEU 20 1HD1 LEU 20 -26.087 -2.146 -1.694 155 1HD2 LEU 20 2HD2 LEU 20 -23.304 -2.464 0.233 156 2HD2 LEU 20 1HD2 LEU 20 -23.885 -4.069 0.680 157 3HD2 LEU 20 3HD2 LEU 20 -23.976 -3.535 -0.999 158 H PHE 21 H PHE 21 -28.752 -1.901 0.282 159 HA PHE 21 HA PHE 21 -29.700 -4.464 1.443 160 1HB PHE 21 2HB PHE 21 -30.850 -2.537 -0.584 161 2HB PHE 21 1HB PHE 21 -31.544 -4.136 -0.318 162 HD1 PHE 21 HD1 PHE 21 -30.271 -1.269 1.756 163 HD2 PHE 21 HD2 PHE 21 -33.309 -4.251 1.185 164 HE1 PHE 21 HE1 PHE 21 -31.488 -0.410 3.739 165 HE2 PHE 21 HE2 PHE 21 -34.525 -3.393 3.168 166 HZ PHE 21 HZ PHE 21 -33.615 -1.471 4.445 167 H CYS 22 H CYS 22 -29.022 -6.352 0.532 168 HA CYS 22 HA CYS 22 -27.814 -6.216 -2.194 169 1HB CYS 22 2HB CYS 22 -26.882 -7.363 0.176 170 2HB CYS 22 1HB CYS 22 -27.451 -8.735 -0.775 171 HA PRO 23 HA PRO 23 -31.912 -8.524 -2.630 172 1HB PRO 23 2HB PRO 23 -32.805 -7.095 -4.741 173 2HB PRO 23 1HB PRO 23 -33.105 -6.617 -3.068 174 1HG PRO 23 2HG PRO 23 -31.032 -5.616 -4.986 175 2HG PRO 23 1HG PRO 23 -32.053 -4.697 -3.875 176 1HD PRO 23 1HD PRO 23 -29.477 -5.276 -3.304 177 2HD PRO 23 2HD PRO 23 -30.717 -5.167 -2.054 178 H GLN 24 H GLN 24 -29.083 -7.944 -4.407 179 HA GLN 24 HA GLN 24 -28.053 -9.317 -6.029 180 1HB GLN 24 2HB GLN 24 -29.614 -11.113 -4.959 181 2HB GLN 24 1HB GLN 24 -30.634 -10.832 -6.370 182 1HG GLN 24 2HG GLN 24 -28.706 -11.319 -7.847 183 2HG GLN 24 1HG GLN 24 -27.707 -11.630 -6.427 184 1HE2 GLN 24 1HE2 GLN 24 -28.124 -13.697 -8.329 185 2HE2 GLN 24 2HE2 GLN 24 -29.099 -14.900 -7.633 186 H ASP 25 H ASP 25 -27.896 -7.736 -7.620 187 HA ASP 25 HA ASP 25 -30.094 -6.642 -9.074 188 1HB ASP 25 2HB ASP 25 -27.181 -6.918 -9.875 189 2HB ASP 25 1HB ASP 25 -28.362 -5.906 -10.707 190 H LYS 26 H LYS 26 -30.920 -7.173 -11.147 191 HA LYS 26 HA LYS 26 -31.206 -9.912 -11.768 192 1HB LYS 26 2HB LYS 26 -31.429 -7.523 -13.623 193 2HB LYS 26 1HB LYS 26 -32.046 -9.137 -13.973 194 1HG LYS 26 2HG LYS 26 -33.484 -9.001 -11.951 195 2HG LYS 26 1HG LYS 26 -32.900 -7.362 -11.665 196 1HD LYS 26 2HD LYS 26 -33.762 -6.701 -13.909 197 2HD LYS 26 1HD LYS 26 -34.419 -8.325 -14.108 198 1HE LYS 26 2HE LYS 26 -36.267 -7.166 -13.268 199 2HE LYS 26 1HE LYS 26 -35.569 -7.842 -11.796 200 1HZ LYS 26 2HZ LYS 26 -34.696 -5.199 -12.749 201 2HZ LYS 26 1HZ LYS 26 -36.158 -5.342 -11.895 202 3HZ LYS 26 3HZ LYS 26 -34.703 -5.824 -11.169 203 H LYS 27 H LYS 27 -28.851 -7.545 -12.928 204 HA LYS 27 HA LYS 27 -27.519 -9.704 -14.496 205 1HB LYS 27 2HB LYS 27 -28.122 -7.232 -15.345 206 2HB LYS 27 1HB LYS 27 -26.559 -6.881 -14.606 207 1HG LYS 27 2HG LYS 27 -25.400 -8.133 -16.144 208 2HG LYS 27 1HG LYS 27 -26.704 -9.306 -16.326 209 1HD LYS 27 2HD LYS 27 -27.982 -7.293 -17.432 210 2HD LYS 27 1HD LYS 27 -26.361 -6.634 -17.657 211 1HE LYS 27 2HE LYS 27 -25.793 -8.985 -18.625 212 2HE LYS 27 1HE LYS 27 -27.540 -9.168 -18.784 213 1HZ LYS 27 1HZ LYS 27 -27.188 -6.737 -19.809 214 2HZ LYS 27 3HZ LYS 27 -25.714 -7.452 -20.245 215 3HZ LYS 27 2HZ LYS 27 -27.178 -8.157 -20.740 216 HA PRO 28 HA PRO 28 -24.933 -9.549 -10.678 217 1HB PRO 28 2HB PRO 28 -24.055 -12.095 -10.930 218 2HB PRO 28 1HB PRO 28 -25.594 -11.679 -10.172 219 1HG PRO 28 2HG PRO 28 -25.051 -12.631 -12.961 220 2HG PRO 28 1HG PRO 28 -26.318 -13.143 -11.842 221 1HD PRO 28 1HD PRO 28 -26.811 -11.397 -13.834 222 2HD PRO 28 2HD PRO 28 -27.631 -11.281 -12.276 223 H ILE 29 H ILE 29 -22.695 -9.287 -10.526 224 HA ILE 29 HA ILE 29 -21.157 -9.654 -13.068 225 HB ILE 29 HB ILE 29 -21.665 -7.247 -12.372 226 1HG1 ILE 29 2HG1 ILE 29 -19.756 -7.983 -13.857 227 2HG1 ILE 29 1HG1 ILE 29 -19.468 -6.476 -12.989 228 1HG2 ILE 29 1HG2 ILE 29 -21.355 -7.674 -9.925 229 2HG2 ILE 29 3HG2 ILE 29 -19.630 -7.892 -10.218 230 3HG2 ILE 29 2HG2 ILE 29 -20.384 -6.327 -10.518 231 1HD1 ILE 29 1HD1 ILE 29 -18.556 -8.417 -11.218 232 2HD1 ILE 29 3HD1 ILE 29 -18.058 -9.033 -12.793 233 3HD1 ILE 29 2HD1 ILE 29 -17.546 -7.429 -12.272 234 H GLN 30 H GLN 30 -19.101 -10.588 -12.848 235 HA GLN 30 HA GLN 30 -18.624 -12.020 -10.339 236 1HB GLN 30 2HB GLN 30 -18.120 -13.097 -12.495 237 2HB GLN 30 1HB GLN 30 -16.954 -11.829 -12.868 238 1HG GLN 30 2HG GLN 30 -15.591 -12.472 -10.940 239 2HG GLN 30 1HG GLN 30 -16.785 -13.681 -10.470 240 1HE2 GLN 30 1HE2 GLN 30 -14.450 -14.880 -10.832 241 2HE2 GLN 30 2HE2 GLN 30 -14.295 -15.610 -12.356 242 H SER 31 H SER 31 -17.542 -11.154 -8.681 243 HA SER 31 HA SER 31 -16.136 -8.615 -8.965 244 1HB SER 31 2HB SER 31 -16.216 -8.524 -6.661 245 2HB SER 31 1HB SER 31 -17.540 -9.658 -6.948 246 HG SER 31 HG SER 31 -15.871 -11.329 -6.767 247 H LEU 32 H LEU 32 -13.922 -8.524 -7.681 248 HA LEU 32 HA LEU 32 -12.199 -10.698 -8.796 249 1HB LEU 32 2HB LEU 32 -10.419 -8.747 -8.430 250 2HB LEU 32 1HB LEU 32 -11.412 -8.810 -9.886 251 HG LEU 32 HG LEU 32 -13.053 -7.288 -8.814 252 1HD1 LEU 32 2HD1 LEU 32 -11.307 -7.830 -6.501 253 2HD1 LEU 32 1HD1 LEU 32 -11.726 -6.130 -6.706 254 3HD1 LEU 32 3HD1 LEU 32 -13.000 -7.338 -6.541 255 1HD2 LEU 32 1HD2 LEU 32 -10.170 -6.485 -9.105 256 2HD2 LEU 32 3HD2 LEU 32 -11.543 -6.089 -10.139 257 3HD2 LEU 32 2HD2 LEU 32 -11.360 -5.296 -8.574 258 H ASP 33 H ASP 33 -13.463 -9.559 -5.941 259 HA ASP 33 HA ASP 33 -11.075 -9.871 -4.276 260 1HB ASP 33 2HB ASP 33 -14.009 -9.455 -3.710 261 2HB ASP 33 1HB ASP 33 -12.867 -9.807 -2.414 262 H GLY 34 H GLY 34 -12.680 -12.090 -5.980 263 1HA GLY 34 1HA GLY 34 -12.035 -14.226 -4.043 264 2HA GLY 34 2HA GLY 34 -12.408 -14.458 -5.751 265 H ILE 35 H ILE 35 -14.699 -12.357 -4.775 266 HA ILE 35 HA ILE 35 -16.522 -14.486 -3.744 267 HB ILE 35 HB ILE 35 -16.840 -11.470 -3.655 268 1HG1 ILE 35 2HG1 ILE 35 -16.303 -13.337 -1.341 269 2HG1 ILE 35 1HG1 ILE 35 -14.994 -12.556 -2.228 270 1HG2 ILE 35 1HG2 ILE 35 -18.605 -13.752 -3.070 271 2HG2 ILE 35 3HG2 ILE 35 -18.488 -12.584 -1.753 272 3HG2 ILE 35 2HG2 ILE 35 -19.013 -12.060 -3.353 273 1HD1 ILE 35 2HD1 ILE 35 -17.216 -10.782 -1.371 274 2HD1 ILE 35 1HD1 ILE 35 -16.207 -11.431 -0.078 275 3HD1 ILE 35 3HD1 ILE 35 -15.477 -10.486 -1.376 276 H MET 36 H MET 36 -18.637 -14.661 -4.721 277 HA MET 36 HA MET 36 -18.603 -13.904 -7.582 278 1HB MET 36 2HB MET 36 -20.537 -15.662 -6.043 279 2HB MET 36 1HB MET 36 -20.480 -15.470 -7.795 280 1HG MET 36 2HG MET 36 -18.095 -16.282 -7.727 281 2HG MET 36 1HG MET 36 -18.334 -16.659 -6.020 282 1HE MET 36 3HE MET 36 -20.013 -18.148 -5.072 283 2HE MET 36 2HE MET 36 -21.423 -17.599 -5.975 284 3HE MET 36 1HE MET 36 -21.031 -19.316 -5.925 285 H PHE 37 H PHE 37 -19.295 -11.826 -7.830 286 HA PHE 37 HA PHE 37 -20.753 -10.009 -7.888 287 1HB PHE 37 2HB PHE 37 -23.078 -11.483 -6.823 288 2HB PHE 37 1HB PHE 37 -22.935 -10.490 -8.270 289 HD1 PHE 37 HD1 PHE 37 -21.789 -11.455 -10.316 290 HD2 PHE 37 HD2 PHE 37 -22.915 -13.857 -6.945 291 HE1 PHE 37 HE1 PHE 37 -21.587 -13.488 -11.707 292 HE2 PHE 37 HE2 PHE 37 -22.725 -15.896 -8.336 293 HZ PHE 37 HZ PHE 37 -22.061 -15.716 -10.720 294 H ILE 38 H ILE 38 -21.750 -11.976 -5.078 295 HA ILE 38 HA ILE 38 -22.689 -10.068 -3.360 296 HB ILE 38 HB ILE 38 -20.729 -12.262 -2.625 297 1HG1 ILE 38 2HG1 ILE 38 -23.761 -12.208 -2.582 298 2HG1 ILE 38 1HG1 ILE 38 -22.794 -12.993 -3.831 299 1HG2 ILE 38 1HG2 ILE 38 -21.043 -10.474 -0.884 300 2HG2 ILE 38 3HG2 ILE 38 -22.769 -10.834 -0.896 301 3HG2 ILE 38 2HG2 ILE 38 -21.616 -12.062 -0.375 302 1HD1 ILE 38 2HD1 ILE 38 -22.680 -13.646 -0.869 303 2HD1 ILE 38 1HD1 ILE 38 -23.528 -14.602 -2.085 304 3HD1 ILE 38 3HD1 ILE 38 -21.772 -14.457 -2.145 305 H ASN 39 H ASN 39 -19.346 -10.372 -4.388 306 HA ASN 39 HA ASN 39 -17.991 -8.938 -2.412 307 1HB ASN 39 2HB ASN 39 -17.077 -9.903 -4.628 308 2HB ASN 39 1HB ASN 39 -17.545 -8.357 -5.336 309 1HD2 ASN 39 1HD2 ASN 39 -15.611 -7.177 -5.524 310 2HD2 ASN 39 2HD2 ASN 39 -14.488 -6.970 -4.268 311 H LYS 40 H LYS 40 -19.851 -7.601 -5.150 312 HA LYS 40 HA LYS 40 -19.411 -4.902 -4.877 313 1HB LYS 40 2HB LYS 40 -22.057 -6.306 -5.312 314 2HB LYS 40 1HB LYS 40 -21.820 -4.572 -5.534 315 1HG LYS 40 2HG LYS 40 -19.910 -5.174 -7.119 316 2HG LYS 40 1HG LYS 40 -20.505 -6.833 -7.054 317 1HD LYS 40 2HD LYS 40 -22.130 -4.416 -7.901 318 2HD LYS 40 1HD LYS 40 -21.448 -5.621 -8.992 319 1HE LYS 40 2HE LYS 40 -23.590 -6.030 -6.893 320 2HE LYS 40 1HE LYS 40 -23.734 -6.252 -8.637 321 1HZ LYS 40 3HZ LYS 40 -21.715 -7.891 -8.101 322 2HZ LYS 40 2HZ LYS 40 -22.564 -7.999 -6.633 323 3HZ LYS 40 1HZ LYS 40 -23.338 -8.385 -8.095 324 H CYS 41 H CYS 41 -21.706 -6.786 -2.900 325 HA CYS 41 HA CYS 41 -22.422 -4.530 -1.238 326 1HB CYS 41 2HB CYS 41 -22.869 -7.478 -1.178 327 2HB CYS 41 1HB CYS 41 -23.021 -6.610 0.346 328 H ALA 42 H ALA 42 -20.017 -7.120 -0.997 329 HA ALA 42 HA ALA 42 -19.169 -6.376 1.683 330 1HB ALA 42 3HB ALA 42 -17.761 -8.033 -0.430 331 2HB ALA 42 1HB ALA 42 -18.853 -8.661 0.803 332 3HB ALA 42 2HB ALA 42 -17.312 -7.945 1.274 333 H THR 43 H THR 43 -18.332 -5.372 -1.556 334 HA THR 43 HA THR 43 -15.954 -3.911 -0.527 335 HB THR 43 HB THR 43 -15.743 -3.361 -3.061 336 HG1 THR 43 HG1 THR 43 -17.742 -4.004 -3.744 337 1HG2 THR 43 1HG2 THR 43 -14.551 -5.174 -1.559 338 2HG2 THR 43 3HG2 THR 43 -15.510 -6.299 -2.520 339 3HG2 THR 43 2HG2 THR 43 -14.366 -5.216 -3.312 340 H CYS 44 H CYS 44 -19.108 -3.400 -2.054 341 HA CYS 44 HA CYS 44 -18.834 -0.564 -2.380 342 1HB CYS 44 2HB CYS 44 -20.596 -1.847 -3.534 343 2HB CYS 44 1HB CYS 44 -21.349 -2.213 -1.982 344 H LYS 45 H LYS 45 -19.910 -2.583 0.317 345 HA LYS 45 HA LYS 45 -21.098 -0.621 1.942 346 1HB LYS 45 2HB LYS 45 -20.788 -3.157 2.367 347 2HB LYS 45 1HB LYS 45 -19.234 -2.709 3.070 348 1HG LYS 45 2HG LYS 45 -20.440 -1.113 4.581 349 2HG LYS 45 1HG LYS 45 -21.967 -1.723 3.940 350 1HD LYS 45 2HD LYS 45 -21.431 -3.978 4.725 351 2HD LYS 45 1HD LYS 45 -19.853 -3.430 5.289 352 1HE LYS 45 2HE LYS 45 -21.201 -1.712 6.700 353 2HE LYS 45 1HE LYS 45 -22.580 -2.766 6.388 354 1HZ LYS 45 1HZ LYS 45 -20.435 -4.380 7.126 355 2HZ LYS 45 3HZ LYS 45 -20.500 -3.108 8.246 356 3HZ LYS 45 2HZ LYS 45 -21.866 -4.086 7.993 357 H MET 46 H MET 46 -17.625 -1.494 1.789 358 HA MET 46 HA MET 46 -16.847 0.603 3.622 359 1HB MET 46 2HB MET 46 -15.227 -0.926 1.560 360 2HB MET 46 1HB MET 46 -14.542 0.130 2.794 361 1HG MET 46 2HG MET 46 -16.162 -2.391 3.265 362 2HG MET 46 1HG MET 46 -14.444 -2.167 3.592 363 1HE MET 46 1HE MET 46 -13.476 -0.550 4.892 364 2HE MET 46 3HE MET 46 -14.421 0.926 5.130 365 3HE MET 46 2HE MET 46 -14.018 -0.098 6.506 366 H ILE 47 H ILE 47 -16.838 0.300 0.072 367 HA ILE 47 HA ILE 47 -15.814 2.979 -0.351 368 HB ILE 47 HB ILE 47 -17.398 1.252 -2.276 369 1HG1 ILE 47 2HG1 ILE 47 -14.391 1.378 -1.939 370 2HG1 ILE 47 1HG1 ILE 47 -15.390 0.113 -1.224 371 1HG2 ILE 47 2HG2 ILE 47 -15.663 3.693 -2.506 372 2HG2 ILE 47 1HG2 ILE 47 -15.735 2.553 -3.850 373 3HG2 ILE 47 3HG2 ILE 47 -17.206 3.346 -3.287 374 1HD1 ILE 47 3HD1 ILE 47 -16.135 0.402 -3.975 375 2HD1 ILE 47 2HD1 ILE 47 -14.380 0.254 -3.889 376 3HD1 ILE 47 1HD1 ILE 47 -15.406 -0.995 -3.182 377 H LEU 48 H LEU 48 -18.814 1.777 0.658 378 HA LEU 48 HA LEU 48 -20.486 3.818 -0.598 379 1HB LEU 48 2HB LEU 48 -21.366 1.583 0.099 380 2HB LEU 48 1HB LEU 48 -21.073 2.023 1.780 381 HG LEU 48 HG LEU 48 -22.519 4.137 1.173 382 1HD1 LEU 48 3HD1 LEU 48 -22.520 2.901 -1.290 383 2HD1 LEU 48 2HD1 LEU 48 -24.053 2.362 -0.606 384 3HD1 LEU 48 1HD1 LEU 48 -23.714 4.086 -0.761 385 1HD2 LEU 48 1HD2 LEU 48 -23.055 1.585 2.288 386 2HD2 LEU 48 3HD2 LEU 48 -23.943 3.084 2.560 387 3HD2 LEU 48 2HD2 LEU 48 -24.434 1.991 1.266 388 H GLU 49 H GLU 49 -18.780 3.377 2.457 389 HA GLU 49 HA GLU 49 -19.983 5.571 3.862 390 1HB GLU 49 2HB GLU 49 -17.192 4.406 4.121 391 2HB GLU 49 1HB GLU 49 -17.957 5.483 5.289 392 1HG GLU 49 2HG GLU 49 -19.765 3.833 5.625 393 2HG GLU 49 1HG GLU 49 -18.995 2.754 4.461 394 H LYS 50 H LYS 50 -17.515 5.376 1.398 395 HA LYS 50 HA LYS 50 -16.318 7.948 1.781 396 1HB LYS 50 2HB LYS 50 -15.388 6.159 0.303 397 2HB LYS 50 1HB LYS 50 -16.716 6.441 -0.823 398 1HG LYS 50 2HG LYS 50 -15.990 8.818 -1.030 399 2HG LYS 50 1HG LYS 50 -14.618 8.464 0.020 400 1HD LYS 50 2HD LYS 50 -13.932 6.673 -1.622 401 2HD LYS 50 1HD LYS 50 -15.197 7.260 -2.701 402 1HE LYS 50 2HE LYS 50 -14.072 9.212 -3.180 403 2HE LYS 50 1HE LYS 50 -13.303 9.281 -1.595 404 1HZ LYS 50 2HZ LYS 50 -12.062 7.202 -2.400 405 2HZ LYS 50 1HZ LYS 50 -12.533 7.695 -3.957 406 3HZ LYS 50 3HZ LYS 50 -11.576 8.716 -2.999 407 H GLU 51 H GLU 51 -19.184 6.878 -0.012 408 HA GLU 51 HA GLU 51 -19.764 9.280 -1.389 409 1HB GLU 51 2HB GLU 51 -20.991 7.124 -1.697 410 2HB GLU 51 1HB GLU 51 -21.765 7.376 -0.132 411 1HG GLU 51 2HG GLU 51 -22.671 9.546 -0.979 412 2HG GLU 51 1HG GLU 51 -21.979 9.183 -2.560 413 H ALA 52 H ALA 52 -20.321 8.360 1.973 414 HA ALA 52 HA ALA 52 -22.053 10.508 2.695 415 1HB ALA 52 1HB ALA 52 -20.153 9.808 4.794 416 2HB ALA 52 3HB ALA 52 -21.899 9.568 4.745 417 3HB ALA 52 2HB ALA 52 -20.825 8.374 4.018 418 H LYS 53 H LYS 53 -18.601 10.361 2.150 419 HA LYS 53 HA LYS 53 -17.763 12.683 3.534 420 1HB LYS 53 2HB LYS 53 -16.796 11.581 0.878 421 2HB LYS 53 1HB LYS 53 -15.945 12.799 1.829 422 1HG LYS 53 2HG LYS 53 -15.857 11.189 3.736 423 2HG LYS 53 1HG LYS 53 -16.605 9.970 2.705 424 1HD LYS 53 2HD LYS 53 -14.706 10.230 1.099 425 2HD LYS 53 1HD LYS 53 -13.942 11.343 2.233 426 1HE LYS 53 2HE LYS 53 -14.813 8.653 3.227 427 2HE LYS 53 1HE LYS 53 -13.338 8.761 2.266 428 1HZ LYS 53 2HZ LYS 53 -13.842 10.529 4.584 429 2HZ LYS 53 1HZ LYS 53 -13.092 9.014 4.752 430 3HZ LYS 53 3HZ LYS 53 -12.367 10.216 3.801 431 H SER 54 H SER 54 -19.415 12.320 0.435 432 HA SER 54 HA SER 54 -19.088 14.948 -0.566 433 1HB SER 54 2HB SER 54 -21.576 13.231 -0.795 434 2HB SER 54 1HB SER 54 -21.090 14.531 -1.884 435 HG SER 54 HG SER 54 -20.486 12.539 -2.741 436 H GLN 55 H GLN 55 -21.273 13.674 1.887 437 HA GLN 55 HA GLN 55 -22.884 14.771 3.218 438 1HB GLN 55 2HB GLN 55 -20.649 16.819 3.112 439 2HB GLN 55 1HB GLN 55 -21.969 16.834 4.281 440 1HG GLN 55 2HG GLN 55 -21.283 14.640 5.126 441 2HG GLN 55 1HG GLN 55 -20.007 14.550 3.912 442 1HE2 GLN 55 1HE2 GLN 55 -19.394 14.450 6.709 443 2HE2 GLN 55 2HE2 GLN 55 -18.553 15.865 7.125 No H/Q in entry = 443 Start of MODEL 16 1 H1 LYS 1 3H LYS 1 0.673 16.464 5.927 2 H2 LYS 1 2H LYS 1 0.376 17.782 6.957 3 H3 LYS 1 1H LYS 1 1.912 17.574 6.260 4 HA LYS 1 HA LYS 1 2.086 16.872 8.501 5 1HB LYS 1 2HB LYS 1 -0.365 15.207 7.852 6 2HB LYS 1 1HB LYS 1 0.566 15.070 9.344 7 1HG LYS 1 2HG LYS 1 0.142 17.501 9.771 8 2HG LYS 1 1HG LYS 1 -0.897 17.533 8.346 9 1HD LYS 1 2HD LYS 1 -2.285 15.724 9.382 10 2HD LYS 1 1HD LYS 1 -1.294 15.846 10.835 11 1HE LYS 1 2HE LYS 1 -3.206 17.220 11.242 12 2HE LYS 1 1HE LYS 1 -1.892 18.333 10.862 13 1HZ LYS 1 3HZ LYS 1 -3.840 17.329 8.862 14 2HZ LYS 1 2HZ LYS 1 -4.001 18.809 9.680 15 3HZ LYS 1 1HZ LYS 1 -2.682 18.548 8.641 16 H ASN 2 H ASN 2 0.824 14.294 6.352 17 HA ASN 2 HA ASN 2 3.489 12.966 6.604 18 1HB ASN 2 2HB ASN 2 0.772 11.822 5.887 19 2HB ASN 2 1HB ASN 2 2.274 10.898 5.917 20 1HD2 ASN 2 1HD2 ASN 2 0.088 10.243 7.658 21 2HD2 ASN 2 2HD2 ASN 2 0.559 10.574 9.255 22 H GLU 3 H GLU 3 4.746 12.933 4.802 23 HA GLU 3 HA GLU 3 4.281 14.286 2.440 24 1HB GLU 3 2HB GLU 3 6.436 13.171 3.078 25 2HB GLU 3 1HB GLU 3 5.733 11.628 2.593 26 1HG GLU 3 2HG GLU 3 5.337 12.570 0.315 27 2HG GLU 3 1HG GLU 3 6.154 14.051 0.817 28 H ASP 4 H ASP 4 3.091 11.092 3.320 29 HA ASP 4 HA ASP 4 2.221 10.207 0.771 30 1HB ASP 4 2HB ASP 4 0.921 9.765 3.476 31 2HB ASP 4 1HB ASP 4 0.586 8.827 2.021 32 H GLN 5 H GLN 5 0.782 12.474 3.053 33 HA GLN 5 HA GLN 5 -1.799 12.676 1.864 34 1HB GLN 5 2HB GLN 5 -1.106 13.679 4.072 35 2HB GLN 5 1HB GLN 5 -0.239 14.923 3.171 36 1HG GLN 5 2HG GLN 5 -2.382 15.503 2.012 37 2HG GLN 5 1HG GLN 5 -3.214 14.346 3.050 38 1HE2 GLN 5 1HE2 GLN 5 -4.162 15.342 4.826 39 2HE2 GLN 5 2HE2 GLN 5 -3.559 16.718 5.616 40 H GLU 6 H GLU 6 1.294 14.176 1.052 41 HA GLU 6 HA GLU 6 0.333 16.121 -0.792 42 1HB GLU 6 2HB GLU 6 2.933 14.558 -0.781 43 2HB GLU 6 1HB GLU 6 2.620 15.966 -1.796 44 1HG GLU 6 2HG GLU 6 2.162 17.299 0.265 45 2HG GLU 6 1HG GLU 6 2.600 15.894 1.236 46 H MET 7 H MET 7 1.117 12.682 -1.202 47 HA MET 7 HA MET 7 0.879 12.541 -4.025 48 1HB MET 7 2HB MET 7 0.185 10.502 -1.891 49 2HB MET 7 1HB MET 7 0.233 10.139 -3.616 50 1HG MET 7 2HG MET 7 2.605 10.916 -3.674 51 2HG MET 7 1HG MET 7 2.541 11.153 -1.927 52 1HE MET 7 1HE MET 7 1.196 9.542 -0.642 53 2HE MET 7 3HE MET 7 0.612 8.012 -1.311 54 3HE MET 7 2HE MET 7 2.047 8.040 -0.289 55 H CYS 8 H CYS 8 -1.552 12.798 -1.518 56 HA CYS 8 HA CYS 8 -3.787 12.024 -3.189 57 1HB CYS 8 2HB CYS 8 -3.895 11.955 -0.716 58 2HB CYS 8 1HB CYS 8 -3.727 13.709 -0.667 59 H HIS 9 H HIS 9 -2.080 15.027 -2.532 60 HA HIS 9 HA HIS 9 -3.907 16.941 -3.435 61 1HB HIS 9 2HB HIS 9 -1.810 17.731 -2.635 62 2HB HIS 9 1HB HIS 9 -0.910 16.736 -3.777 63 HD1 HIS 9 HD1 HIS 9 -1.442 17.391 -6.420 64 HD2 HIS 9 HD2 HIS 9 -2.188 20.314 -3.544 65 HE1 HIS 9 HE1 HIS 9 -1.557 19.597 -7.656 66 H GLU 10 H GLU 10 -1.596 15.094 -5.458 67 HA GLU 10 HA GLU 10 -2.382 16.077 -7.968 68 1HB GLU 10 2HB GLU 10 -1.522 13.269 -7.211 69 2HB GLU 10 1HB GLU 10 -1.624 13.866 -8.868 70 1HG GLU 10 2HG GLU 10 -0.031 15.702 -8.239 71 2HG GLU 10 1HG GLU 10 0.151 14.943 -6.657 72 H PHE 11 H PHE 11 -3.786 13.340 -6.141 73 HA PHE 11 HA PHE 11 -5.812 12.810 -8.140 74 1HB PHE 11 2HB PHE 11 -5.042 11.742 -5.544 75 2HB PHE 11 1HB PHE 11 -6.794 11.874 -5.695 76 HD1 PHE 11 HD1 PHE 11 -7.554 11.287 -8.301 77 HD2 PHE 11 HD2 PHE 11 -4.216 9.648 -6.152 78 HE1 PHE 11 HE1 PHE 11 -7.584 9.294 -9.771 79 HE2 PHE 11 HE2 PHE 11 -4.245 7.656 -7.626 80 HZ PHE 11 HZ PHE 11 -5.930 7.478 -9.436 81 H GLN 12 H GLN 12 -5.525 15.053 -5.495 82 HA GLN 12 HA GLN 12 -8.337 15.578 -5.140 83 1HB GLN 12 2HB GLN 12 -6.567 16.267 -3.511 84 2HB GLN 12 1HB GLN 12 -6.001 17.460 -4.680 85 1HG GLN 12 2HG GLN 12 -8.261 18.501 -4.670 86 2HG GLN 12 1HG GLN 12 -8.769 17.342 -3.441 87 1HE2 GLN 12 1HE2 GLN 12 -8.954 19.942 -2.630 88 2HE2 GLN 12 2HE2 GLN 12 -7.683 20.360 -1.585 89 H ALA 13 H ALA 13 -5.885 16.752 -7.375 90 HA ALA 13 HA ALA 13 -7.508 18.922 -8.422 91 1HB ALA 13 3HB ALA 13 -5.685 19.398 -9.718 92 2HB ALA 13 2HB ALA 13 -4.866 18.291 -8.616 93 3HB ALA 13 1HB ALA 13 -5.448 17.711 -10.177 94 H PHE 14 H PHE 14 -7.209 15.500 -9.041 95 HA PHE 14 HA PHE 14 -8.623 15.631 -11.607 96 1HB PHE 14 2HB PHE 14 -8.056 13.213 -9.865 97 2HB PHE 14 1HB PHE 14 -8.496 13.204 -11.573 98 HD1 PHE 14 HD1 PHE 14 -6.820 15.702 -12.298 99 HD2 PHE 14 HD2 PHE 14 -5.908 12.105 -10.133 100 HE1 PHE 14 HE1 PHE 14 -4.430 15.935 -12.917 101 HE2 PHE 14 HE2 PHE 14 -3.518 12.339 -10.752 102 HZ PHE 14 HZ PHE 14 -2.779 14.254 -12.144 103 H MET 15 H MET 15 -9.665 16.268 -8.618 104 HA MET 15 HA MET 15 -12.052 14.581 -8.511 105 1HB MET 15 2HB MET 15 -10.704 16.466 -6.780 106 2HB MET 15 1HB MET 15 -12.422 16.851 -6.876 107 1HG MET 15 2HG MET 15 -12.914 14.424 -6.406 108 2HG MET 15 1HG MET 15 -11.189 14.185 -6.126 109 1HE MET 15 3HE MET 15 -14.380 15.650 -5.350 110 2HE MET 15 2HE MET 15 -14.344 14.556 -3.969 111 3HE MET 15 1HE MET 15 -14.341 16.298 -3.705 112 H LYS 16 H LYS 16 -14.159 15.224 -9.087 113 HA LYS 16 HA LYS 16 -14.546 17.954 -10.172 114 1HB LYS 16 2HB LYS 16 -13.774 16.433 -12.051 115 2HB LYS 16 1HB LYS 16 -15.251 15.502 -11.806 116 1HG LYS 16 2HG LYS 16 -16.574 17.595 -12.174 117 2HG LYS 16 1HG LYS 16 -15.071 18.439 -12.546 118 1HD LYS 16 2HD LYS 16 -14.647 16.789 -14.374 119 2HD LYS 16 1HD LYS 16 -16.217 16.059 -14.039 120 1HE LYS 16 2HE LYS 16 -17.047 18.573 -14.307 121 2HE LYS 16 1HE LYS 16 -15.576 18.709 -15.271 122 1HZ LYS 16 3HZ LYS 16 -17.406 16.448 -15.709 123 2HZ LYS 16 2HZ LYS 16 -17.769 17.963 -16.385 124 3HZ LYS 16 1HZ LYS 16 -16.320 17.174 -16.791 125 H ASN 17 H ASN 17 -16.671 18.653 -9.932 126 HA ASN 17 HA ASN 17 -18.807 18.659 -8.947 127 1HB ASN 17 2HB ASN 17 -18.841 15.910 -10.234 128 2HB ASN 17 1HB ASN 17 -20.262 16.793 -9.678 129 1HD2 ASN 17 1HD2 ASN 17 -19.106 15.997 -12.506 130 2HD2 ASN 17 2HD2 ASN 17 -19.254 17.441 -13.386 131 H GLY 18 H GLY 18 -16.514 17.552 -7.365 132 1HA GLY 18 1HA GLY 18 -18.115 16.431 -5.192 133 2HA GLY 18 2HA GLY 18 -16.382 16.762 -5.138 134 H LYS 19 H LYS 19 -16.261 15.196 -7.811 135 HA LYS 19 HA LYS 19 -16.324 12.477 -6.561 136 1HB LYS 19 2HB LYS 19 -17.990 12.943 -8.456 137 2HB LYS 19 1HB LYS 19 -16.588 13.035 -9.521 138 1HG LYS 19 2HG LYS 19 -16.081 10.718 -8.139 139 2HG LYS 19 1HG LYS 19 -17.840 10.681 -8.257 140 1HD LYS 19 2HD LYS 19 -17.452 11.292 -10.760 141 2HD LYS 19 1HD LYS 19 -15.801 10.739 -10.476 142 1HE LYS 19 2HE LYS 19 -17.775 8.890 -9.378 143 2HE LYS 19 1HE LYS 19 -17.985 9.125 -11.113 144 1HZ LYS 19 1HZ LYS 19 -15.274 8.918 -10.730 145 2HZ LYS 19 3HZ LYS 19 -15.937 7.725 -9.724 146 3HZ LYS 19 2HZ LYS 19 -16.300 7.732 -11.384 147 H LEU 20 H LEU 20 -14.438 11.287 -6.722 148 HA LEU 20 HA LEU 20 -12.077 12.710 -7.783 149 1HB LEU 20 2HB LEU 20 -11.717 11.707 -5.640 150 2HB LEU 20 1HB LEU 20 -12.438 10.183 -6.153 151 HG LEU 20 HG LEU 20 -10.549 10.017 -7.868 152 1HD1 LEU 20 1HD1 LEU 20 -9.946 12.583 -6.607 153 2HD1 LEU 20 3HD1 LEU 20 -8.569 11.479 -6.574 154 3HD1 LEU 20 2HD1 LEU 20 -9.328 11.901 -8.112 155 1HD2 LEU 20 1HD2 LEU 20 -10.665 8.843 -5.601 156 2HD2 LEU 20 3HD2 LEU 20 -9.057 9.024 -6.302 157 3HD2 LEU 20 2HD2 LEU 20 -9.581 10.101 -5.008 158 H PHE 21 H PHE 21 -11.348 12.317 -9.816 159 HA PHE 21 HA PHE 21 -12.460 10.069 -11.349 160 1HB PHE 21 2HB PHE 21 -10.535 12.304 -12.040 161 2HB PHE 21 1HB PHE 21 -10.963 11.028 -13.178 162 HD1 PHE 21 HD1 PHE 21 -13.853 10.633 -12.405 163 HD2 PHE 21 HD2 PHE 21 -11.549 14.203 -13.036 164 HE1 PHE 21 HE1 PHE 21 -15.921 11.863 -12.995 165 HE2 PHE 21 HE2 PHE 21 -13.617 15.431 -13.628 166 HZ PHE 21 HZ PHE 21 -15.804 14.263 -13.609 167 H CYS 22 H CYS 22 -11.495 8.101 -11.359 168 HA CYS 22 HA CYS 22 -8.636 7.951 -10.519 169 1HB CYS 22 2HB CYS 22 -10.589 6.700 -9.298 170 2HB CYS 22 1HB CYS 22 -10.471 5.577 -10.652 171 HA PRO 23 HA PRO 23 -8.857 6.795 -15.105 172 1HB PRO 23 2HB PRO 23 -6.946 8.517 -15.929 173 2HB PRO 23 1HB PRO 23 -8.654 8.955 -15.838 174 1HG PRO 23 2HG PRO 23 -6.441 9.534 -13.903 175 2HG PRO 23 1HG PRO 23 -7.722 10.605 -14.478 176 1HD PRO 23 2HD PRO 23 -7.852 9.385 -12.070 177 2HD PRO 23 1HD PRO 23 -9.292 9.718 -13.034 178 H GLN 24 H GLN 24 -6.968 5.931 -16.389 179 HA GLN 24 HA GLN 24 -5.019 4.673 -14.538 180 1HB GLN 24 2HB GLN 24 -5.782 4.110 -17.415 181 2HB GLN 24 1HB GLN 24 -4.473 3.274 -16.580 182 1HG GLN 24 2HG GLN 24 -6.081 2.545 -14.832 183 2HG GLN 24 1HG GLN 24 -7.382 3.338 -15.720 184 1HE2 GLN 24 1HE2 GLN 24 -7.532 0.553 -15.283 185 2HE2 GLN 24 2HE2 GLN 24 -7.297 -0.261 -16.754 186 H ASP 25 H ASP 25 -3.192 5.866 -14.249 187 HA ASP 25 HA ASP 25 -2.243 7.738 -16.275 188 1HB ASP 25 2HB ASP 25 -1.968 8.127 -13.819 189 2HB ASP 25 1HB ASP 25 -0.848 6.766 -13.764 190 H LYS 26 H LYS 26 -0.884 7.239 -17.928 191 HA LYS 26 HA LYS 26 0.023 4.577 -18.420 192 1HB LYS 26 2HB LYS 26 1.005 7.219 -19.541 193 2HB LYS 26 1HB LYS 26 1.450 5.637 -20.181 194 1HG LYS 26 2HG LYS 26 -0.969 5.150 -20.555 195 2HG LYS 26 1HG LYS 26 -1.354 6.783 -20.011 196 1HD LYS 26 2HD LYS 26 0.093 7.691 -21.827 197 2HD LYS 26 1HD LYS 26 0.369 6.046 -22.397 198 1HE LYS 26 2HE LYS 26 -1.530 6.184 -23.599 199 2HE LYS 26 1HE LYS 26 -2.437 6.342 -22.094 200 1HZ LYS 26 3HZ LYS 26 -1.128 8.610 -23.488 201 2HZ LYS 26 2HZ LYS 26 -2.767 8.202 -23.671 202 3HZ LYS 26 1HZ LYS 26 -2.176 8.695 -22.157 203 H LYS 27 H LYS 27 1.494 7.306 -16.761 204 HA LYS 27 HA LYS 27 4.128 6.045 -16.605 205 1HB LYS 27 2HB LYS 27 2.878 8.492 -15.351 206 2HB LYS 27 1HB LYS 27 4.476 7.924 -14.864 207 1HG LYS 27 2HG LYS 27 5.338 8.184 -17.090 208 2HG LYS 27 1HG LYS 27 3.725 8.448 -17.750 209 1HD LYS 27 2HD LYS 27 5.075 10.271 -15.736 210 2HD LYS 27 1HD LYS 27 5.018 10.571 -17.473 211 1HE LYS 27 2HE LYS 27 2.404 10.169 -17.068 212 2HE LYS 27 1HE LYS 27 2.829 10.719 -15.447 213 1HZ LYS 27 2HZ LYS 27 4.089 12.552 -16.790 214 2HZ LYS 27 1HZ LYS 27 2.954 12.163 -17.994 215 3HZ LYS 27 3HZ LYS 27 2.426 12.698 -16.474 216 HA PRO 28 HA PRO 28 2.908 3.408 -13.183 217 1HB PRO 28 2HB PRO 28 5.362 2.381 -12.708 218 2HB PRO 28 1HB PRO 28 4.343 1.856 -14.051 219 1HG PRO 28 2HG PRO 28 6.642 3.774 -14.049 220 2HG PRO 28 1HG PRO 28 6.255 2.503 -15.213 221 1HD PRO 28 1HD PRO 28 5.695 5.111 -15.679 222 2HD PRO 28 2HD PRO 28 4.691 3.803 -16.306 223 H ILE 29 H ILE 29 2.780 3.844 -11.024 224 HA ILE 29 HA ILE 29 4.844 5.664 -9.854 225 HB ILE 29 HB ILE 29 1.878 5.726 -9.755 226 1HG1 ILE 29 2HG1 ILE 29 3.423 7.437 -10.803 227 2HG1 ILE 29 1HG1 ILE 29 2.259 8.094 -9.652 228 1HG2 ILE 29 2HG2 ILE 29 2.461 5.059 -7.409 229 2HG2 ILE 29 1HG2 ILE 29 3.493 6.484 -7.302 230 3HG2 ILE 29 3HG2 ILE 29 1.750 6.670 -7.512 231 1HD1 ILE 29 2HD1 ILE 29 4.568 7.281 -8.184 232 2HD1 ILE 29 1HD1 ILE 29 5.117 8.241 -9.559 233 3HD1 ILE 29 3HD1 ILE 29 3.952 8.918 -8.420 234 H GLN 30 H GLN 30 5.991 4.731 -8.236 235 HA GLN 30 HA GLN 30 5.053 2.144 -7.161 236 1HB GLN 30 2HB GLN 30 7.388 2.255 -7.801 237 2HB GLN 30 1HB GLN 30 7.641 3.683 -6.797 238 1HG GLN 30 2HG GLN 30 7.236 2.411 -4.778 239 2HG GLN 30 1HG GLN 30 6.739 0.999 -5.712 240 1HE2 GLN 30 1HE2 GLN 30 8.641 0.058 -4.301 241 2HE2 GLN 30 2HE2 GLN 30 10.192 0.148 -4.985 242 H SER 31 H SER 31 3.404 2.647 -5.725 243 HA SER 31 HA SER 31 3.684 4.829 -3.805 244 1HB SER 31 2HB SER 31 1.461 4.526 -3.472 245 2HB SER 31 1HB SER 31 1.547 3.471 -4.884 246 HG SER 31 HG SER 31 1.873 1.723 -3.495 247 H LEU 32 H LEU 32 3.268 4.241 -1.385 248 HA LEU 32 HA LEU 32 5.250 2.137 -0.679 249 1HB LEU 32 2HB LEU 32 5.205 3.308 1.572 250 2HB LEU 32 1HB LEU 32 5.797 4.290 0.232 251 HG LEU 32 HG LEU 32 2.894 4.455 0.512 252 1HD1 LEU 32 1HD1 LEU 32 4.634 5.348 2.832 253 2HD1 LEU 32 3HD1 LEU 32 2.947 5.808 2.603 254 3HD1 LEU 32 2HD1 LEU 32 3.370 4.119 2.890 255 1HD2 LEU 32 1HD2 LEU 32 5.169 6.460 0.558 256 2HD2 LEU 32 3HD2 LEU 32 4.186 6.014 -0.836 257 3HD2 LEU 32 2HD2 LEU 32 3.461 6.897 0.508 258 H ASP 33 H ASP 33 1.909 2.502 -0.810 259 HA ASP 33 HA ASP 33 1.317 1.002 1.645 260 1HB ASP 33 2HB ASP 33 -0.357 1.965 -0.675 261 2HB ASP 33 1HB ASP 33 -1.024 0.951 0.603 262 H GLY 34 H GLY 34 2.842 0.016 -0.980 263 1HA GLY 34 1HA GLY 34 1.770 -2.726 -0.756 264 2HA GLY 34 2HA GLY 34 3.260 -2.262 -1.580 265 H ILE 35 H ILE 35 1.172 -0.028 -2.647 266 HA ILE 35 HA ILE 35 0.188 -1.753 -4.886 267 HB ILE 35 HB ILE 35 -0.970 0.915 -4.042 268 1HG1 ILE 35 2HG1 ILE 35 -2.102 -1.806 -3.368 269 2HG1 ILE 35 1HG1 ILE 35 -1.075 -0.910 -2.248 270 1HG2 ILE 35 3HG2 ILE 35 -1.924 -1.358 -5.803 271 2HG2 ILE 35 2HG2 ILE 35 -2.943 -0.005 -5.308 272 3HG2 ILE 35 1HG2 ILE 35 -1.520 0.282 -6.310 273 1HD1 ILE 35 3HD1 ILE 35 -3.104 0.846 -3.308 274 2HD1 ILE 35 2HD1 ILE 35 -3.866 -0.602 -2.650 275 3HD1 ILE 35 1HD1 ILE 35 -2.815 0.382 -1.631 276 H MET 36 H MET 36 0.216 -0.714 -7.025 277 HA MET 36 HA MET 36 2.476 1.227 -7.244 278 1HB MET 36 2HB MET 36 1.296 -0.746 -9.219 279 2HB MET 36 1HB MET 36 2.512 0.455 -9.655 280 1HG MET 36 2HG MET 36 3.988 -0.483 -7.848 281 2HG MET 36 1HG MET 36 2.799 -1.763 -7.608 282 1HE MET 36 2HE MET 36 4.914 -2.828 -7.675 283 2HE MET 36 1HE MET 36 4.650 -4.122 -8.842 284 3HE MET 36 3HE MET 36 6.011 -3.010 -9.042 285 H PHE 37 H PHE 37 1.693 3.281 -7.370 286 HA PHE 37 HA PHE 37 0.521 5.124 -8.211 287 1HB PHE 37 2HB PHE 37 1.068 4.221 -10.420 288 2HB PHE 37 1HB PHE 37 -0.325 3.149 -10.339 289 HD1 PHE 37 HD1 PHE 37 -2.643 4.117 -10.231 290 HD2 PHE 37 HD2 PHE 37 0.821 6.532 -11.023 291 HE1 PHE 37 HE1 PHE 37 -4.100 5.925 -11.102 292 HE2 PHE 37 HE2 PHE 37 -0.635 8.339 -11.889 293 HZ PHE 37 HZ PHE 37 -3.097 8.036 -11.931 294 H ILE 38 H ILE 38 -1.561 2.267 -8.745 295 HA ILE 38 HA ILE 38 -4.043 3.412 -8.329 296 HB ILE 38 HB ILE 38 -3.084 0.753 -7.228 297 1HG1 ILE 38 2HG1 ILE 38 -2.775 0.849 -9.617 298 2HG1 ILE 38 1HG1 ILE 38 -4.236 -0.090 -9.316 299 1HG2 ILE 38 3HG2 ILE 38 -5.425 2.039 -6.590 300 2HG2 ILE 38 2HG2 ILE 38 -5.907 1.104 -8.005 301 3HG2 ILE 38 1HG2 ILE 38 -5.221 0.288 -6.600 302 1HD1 ILE 38 2HD1 ILE 38 -5.234 2.466 -9.449 303 2HD1 ILE 38 1HD1 ILE 38 -3.924 2.531 -10.628 304 3HD1 ILE 38 3HD1 ILE 38 -5.207 1.333 -10.800 305 H ASN 39 H ASN 39 -1.517 2.911 -5.969 306 HA ASN 39 HA ASN 39 -3.015 3.107 -3.574 307 1HB ASN 39 2HB ASN 39 -0.489 2.688 -3.848 308 2HB ASN 39 1HB ASN 39 -0.333 4.440 -3.959 309 1HD2 ASN 39 1HD2 ASN 39 0.569 4.923 -1.898 310 2HD2 ASN 39 2HD2 ASN 39 -0.182 4.525 -0.430 311 H LYS 40 H LYS 40 -1.353 5.776 -5.312 312 HA LYS 40 HA LYS 40 -2.202 7.935 -3.836 313 1HB LYS 40 2HB LYS 40 -2.184 7.752 -6.862 314 2HB LYS 40 1HB LYS 40 -2.237 9.258 -5.944 315 1HG LYS 40 2HG LYS 40 -0.096 8.555 -4.816 316 2HG LYS 40 1HG LYS 40 -0.020 7.191 -5.931 317 1HD LYS 40 2HD LYS 40 -0.063 8.781 -7.842 318 2HD LYS 40 1HD LYS 40 -0.067 10.126 -6.701 319 1HE LYS 40 2HE LYS 40 2.057 8.140 -6.217 320 2HE LYS 40 1HE LYS 40 2.200 8.989 -7.756 321 1HZ LYS 40 3HZ LYS 40 1.490 10.800 -5.707 322 2HZ LYS 40 2HZ LYS 40 2.877 9.934 -5.244 323 3HZ LYS 40 1HZ LYS 40 2.862 10.804 -6.703 324 H CYS 41 H CYS 41 -4.132 6.103 -6.150 325 HA CYS 41 HA CYS 41 -6.482 7.815 -5.832 326 1HB CYS 41 2HB CYS 41 -5.769 6.214 -7.816 327 2HB CYS 41 1HB CYS 41 -6.614 5.004 -6.861 328 H ALA 42 H ALA 42 -5.370 4.676 -4.631 329 HA ALA 42 HA ALA 42 -7.796 4.138 -3.130 330 1HB ALA 42 1HB ALA 42 -5.233 2.831 -3.626 331 2HB ALA 42 2HB ALA 42 -6.812 2.117 -3.301 332 3HB ALA 42 3HB ALA 42 -5.784 2.631 -1.963 333 H THR 43 H THR 43 -4.896 5.968 -2.515 334 HA THR 43 HA THR 43 -5.513 6.032 0.396 335 HB THR 43 HB THR 43 -3.321 7.319 0.495 336 HG1 THR 43 HG1 THR 43 -2.944 8.030 -1.488 337 1HG2 THR 43 1HG2 THR 43 -3.418 4.513 -0.631 338 2HG2 THR 43 3HG2 THR 43 -1.943 5.255 -0.012 339 3HG2 THR 43 2HG2 THR 43 -3.314 4.986 1.065 340 H CYS 44 H CYS 44 -5.050 8.199 -2.395 341 HA CYS 44 HA CYS 44 -5.569 10.632 -1.040 342 1HB CYS 44 2HB CYS 44 -4.728 10.439 -3.396 343 2HB CYS 44 1HB CYS 44 -6.348 9.953 -3.892 344 H LYS 45 H LYS 45 -7.790 8.228 -2.416 345 HA LYS 45 HA LYS 45 -10.186 9.727 -2.236 346 1HB LYS 45 2HB LYS 45 -9.951 7.439 -3.260 347 2HB LYS 45 1HB LYS 45 -9.901 6.771 -1.628 348 1HG LYS 45 2HG LYS 45 -12.112 7.857 -1.174 349 2HG LYS 45 1HG LYS 45 -12.168 8.361 -2.863 350 1HD LYS 45 2HD LYS 45 -11.963 5.961 -3.537 351 2HD LYS 45 1HD LYS 45 -12.052 5.510 -1.834 352 1HE LYS 45 2HE LYS 45 -14.175 7.120 -3.281 353 2HE LYS 45 1HE LYS 45 -14.264 5.379 -3.017 354 1HZ LYS 45 1HZ LYS 45 -13.846 7.268 -0.783 355 2HZ LYS 45 3HZ LYS 45 -15.402 6.874 -1.331 356 3HZ LYS 45 2HZ LYS 45 -14.385 5.658 -0.721 357 H MET 46 H MET 46 -8.408 7.957 0.262 358 HA MET 46 HA MET 46 -10.464 8.478 2.283 359 1HB MET 46 2HB MET 46 -7.634 7.403 2.499 360 2HB MET 46 1HB MET 46 -8.760 7.520 3.852 361 1HG MET 46 2HG MET 46 -9.154 5.899 1.317 362 2HG MET 46 1HG MET 46 -8.838 5.259 2.930 363 1HE MET 46 2HE MET 46 -10.264 5.458 4.898 364 2HE MET 46 1HE MET 46 -10.575 7.190 4.802 365 3HE MET 46 3HE MET 46 -11.920 6.054 4.977 366 H ILE 47 H ILE 47 -7.339 9.811 1.306 367 HA ILE 47 HA ILE 47 -7.253 11.714 3.520 368 HB ILE 47 HB ILE 47 -5.695 11.775 0.917 369 1HG1 ILE 47 2HG1 ILE 47 -5.340 9.610 1.931 370 2HG1 ILE 47 1HG1 ILE 47 -3.928 10.602 2.290 371 1HG2 ILE 47 2HG2 ILE 47 -5.847 13.590 3.042 372 2HG2 ILE 47 1HG2 ILE 47 -4.374 12.670 3.353 373 3HG2 ILE 47 3HG2 ILE 47 -4.578 13.517 1.819 374 1HD1 ILE 47 2HD1 ILE 47 -5.507 11.215 4.417 375 2HD1 ILE 47 1HD1 ILE 47 -6.019 9.556 4.112 376 3HD1 ILE 47 3HD1 ILE 47 -4.321 9.909 4.433 377 H LEU 48 H LEU 48 -8.819 11.537 0.470 378 HA LEU 48 HA LEU 48 -8.981 14.375 -0.086 379 1HB LEU 48 2HB LEU 48 -9.531 12.231 -1.585 380 2HB LEU 48 1HB LEU 48 -11.149 12.499 -0.946 381 HG LEU 48 HG LEU 48 -11.158 13.789 -2.899 382 1HD1 LEU 48 2HD1 LEU 48 -11.798 15.155 -0.927 383 2HD1 LEU 48 1HD1 LEU 48 -10.127 15.699 -0.779 384 3HD1 LEU 48 3HD1 LEU 48 -11.076 16.139 -2.199 385 1HD2 LEU 48 3HD2 LEU 48 -8.322 13.738 -2.524 386 2HD2 LEU 48 2HD2 LEU 48 -9.225 14.193 -3.970 387 3HD2 LEU 48 1HD2 LEU 48 -8.819 15.413 -2.762 388 H GLU 49 H GLU 49 -11.086 12.030 1.568 389 HA GLU 49 HA GLU 49 -13.240 13.818 2.114 390 1HB GLU 49 2HB GLU 49 -12.271 11.490 3.801 391 2HB GLU 49 1HB GLU 49 -13.872 12.227 3.869 392 1HG GLU 49 2HG GLU 49 -14.281 11.582 1.530 393 2HG GLU 49 1HG GLU 49 -12.668 10.875 1.433 394 H LYS 50 H LYS 50 -10.204 13.192 3.829 395 HA LYS 50 HA LYS 50 -10.720 14.575 6.230 396 1HB LYS 50 2HB LYS 50 -8.163 14.388 4.612 397 2HB LYS 50 1HB LYS 50 -8.243 15.027 6.254 398 1HG LYS 50 2HG LYS 50 -9.273 12.848 6.977 399 2HG LYS 50 1HG LYS 50 -8.973 12.226 5.354 400 1HD LYS 50 2HD LYS 50 -6.546 12.742 5.653 401 2HD LYS 50 1HD LYS 50 -6.887 13.233 7.312 402 1HE LYS 50 2HE LYS 50 -6.105 10.769 6.824 403 2HE LYS 50 1HE LYS 50 -7.395 11.057 7.991 404 1HZ LYS 50 2HZ LYS 50 -7.895 10.516 5.120 405 2HZ LYS 50 1HZ LYS 50 -7.860 9.296 6.302 406 3HZ LYS 50 3HZ LYS 50 -9.027 10.524 6.388 407 H GLU 51 H GLU 51 -9.809 15.833 3.043 408 HA GLU 51 HA GLU 51 -9.376 18.544 3.849 409 1HB GLU 51 2HB GLU 51 -10.362 17.430 1.204 410 2HB GLU 51 1HB GLU 51 -9.806 19.085 1.455 411 1HG GLU 51 2HG GLU 51 -7.599 18.225 2.177 412 2HG GLU 51 1HG GLU 51 -8.157 16.576 1.897 413 H ALA 52 H ALA 52 -12.296 16.731 3.043 414 HA ALA 52 HA ALA 52 -14.073 18.972 2.861 415 1HB ALA 52 2HB ALA 52 -15.310 17.203 2.175 416 2HB ALA 52 3HB ALA 52 -15.604 16.896 3.886 417 3HB ALA 52 1HB ALA 52 -14.296 16.057 3.052 418 H LYS 53 H LYS 53 -12.708 17.224 5.573 419 HA LYS 53 HA LYS 53 -14.543 18.094 7.589 420 1HB LYS 53 2HB LYS 53 -12.834 16.296 7.906 421 2HB LYS 53 1HB LYS 53 -11.577 17.532 7.892 422 1HG LYS 53 2HG LYS 53 -12.691 18.640 9.827 423 2HG LYS 53 1HG LYS 53 -13.872 17.331 9.867 424 1HD LYS 53 2HD LYS 53 -11.968 15.713 10.151 425 2HD LYS 53 1HD LYS 53 -10.879 17.093 10.289 426 1HE LYS 53 2HE LYS 53 -13.097 17.534 12.040 427 2HE LYS 53 1HE LYS 53 -12.484 15.907 12.333 428 1HZ LYS 53 3HZ LYS 53 -10.605 18.155 12.076 429 2HZ LYS 53 2HZ LYS 53 -11.420 17.905 13.545 430 3HZ LYS 53 1HZ LYS 53 -10.417 16.690 12.910 431 H SER 54 H SER 54 -11.736 19.620 6.095 432 HA SER 54 HA SER 54 -11.406 21.758 7.958 433 1HB SER 54 2HB SER 54 -9.799 21.176 6.119 434 2HB SER 54 1HB SER 54 -10.944 21.854 4.962 435 HG SER 54 HG SER 54 -10.152 23.367 7.183 436 H GLN 55 H GLN 55 -13.733 21.212 5.401 437 HA GLN 55 HA GLN 55 -14.689 23.997 5.477 438 1HB GLN 55 2HB GLN 55 -15.703 21.529 4.036 439 2HB GLN 55 1HB GLN 55 -16.425 23.131 3.881 440 1HG GLN 55 2HG GLN 55 -14.279 24.025 3.060 441 2HG GLN 55 1HG GLN 55 -13.544 22.430 3.231 442 1HE2 GLN 55 1HE2 GLN 55 -13.660 23.713 0.680 443 2HE2 GLN 55 2HE2 GLN 55 -14.729 22.847 -0.314 No H/Q in entry = 443 Start of MODEL 17 1 H1 LYS 1 3H LYS 1 -29.713 5.284 -3.978 2 H2 LYS 1 2H LYS 1 -31.223 4.555 -3.700 3 H3 LYS 1 1H LYS 1 -29.837 3.979 -2.902 4 HA LYS 1 HA LYS 1 -29.401 2.582 -4.543 5 1HB LYS 1 2HB LYS 1 -31.111 2.191 -6.216 6 2HB LYS 1 1HB LYS 1 -31.914 2.598 -4.700 7 1HG LYS 1 2HG LYS 1 -31.926 5.023 -5.539 8 2HG LYS 1 1HG LYS 1 -31.491 4.365 -7.116 9 1HD LYS 1 2HD LYS 1 -33.508 2.818 -6.879 10 2HD LYS 1 1HD LYS 1 -33.989 3.807 -5.500 11 1HE LYS 1 2HE LYS 1 -33.589 5.789 -7.232 12 2HE LYS 1 1HE LYS 1 -33.905 4.513 -8.408 13 1HZ LYS 1 2HZ LYS 1 -35.839 4.121 -6.569 14 2HZ LYS 1 1HZ LYS 1 -35.709 5.815 -6.583 15 3HZ LYS 1 3HZ LYS 1 -36.038 4.979 -8.022 16 H ASN 2 H ASN 2 -29.954 3.037 -7.431 17 HA ASN 2 HA ASN 2 -27.531 4.033 -8.326 18 1HB ASN 2 2HB ASN 2 -30.213 4.436 -9.688 19 2HB ASN 2 1HB ASN 2 -28.637 4.515 -10.475 20 1HD2 ASN 2 1HD2 ASN 2 -27.351 2.296 -9.240 21 2HD2 ASN 2 2HD2 ASN 2 -28.157 0.872 -9.694 22 H GLU 3 H GLU 3 -30.406 5.896 -7.435 23 HA GLU 3 HA GLU 3 -29.620 8.438 -8.385 24 1HB GLU 3 2HB GLU 3 -31.841 7.854 -7.337 25 2HB GLU 3 1HB GLU 3 -31.045 7.900 -5.764 26 1HG GLU 3 2HG GLU 3 -30.354 10.246 -6.207 27 2HG GLU 3 1HG GLU 3 -31.216 10.192 -7.745 28 H ASP 4 H ASP 4 -28.640 6.684 -5.474 29 HA ASP 4 HA ASP 4 -27.350 8.757 -4.070 30 1HB ASP 4 2HB ASP 4 -27.659 6.311 -3.362 31 2HB ASP 4 1HB ASP 4 -26.215 5.965 -4.317 32 H GLN 5 H GLN 5 -26.299 6.958 -6.907 33 HA GLN 5 HA GLN 5 -23.560 7.745 -6.911 34 1HB GLN 5 2HB GLN 5 -25.441 7.133 -9.210 35 2HB GLN 5 1HB GLN 5 -23.696 7.325 -9.384 36 1HG GLN 5 2HG GLN 5 -23.332 5.475 -7.791 37 2HG GLN 5 1HG GLN 5 -25.076 5.285 -7.611 38 1HE2 GLN 5 1HE2 GLN 5 -23.500 3.125 -8.590 39 2HE2 GLN 5 2HE2 GLN 5 -23.871 2.873 -10.227 40 H GLU 6 H GLU 6 -26.474 9.367 -8.121 41 HA GLU 6 HA GLU 6 -25.143 11.495 -9.491 42 1HB GLU 6 2HB GLU 6 -27.853 11.426 -8.130 43 2HB GLU 6 1HB GLU 6 -27.307 12.715 -9.203 44 1HG GLU 6 2HG GLU 6 -27.556 9.786 -9.956 45 2HG GLU 6 1HG GLU 6 -28.679 11.063 -10.426 46 H MET 7 H MET 7 -26.217 11.152 -6.118 47 HA MET 7 HA MET 7 -25.547 13.819 -5.308 48 1HB MET 7 2HB MET 7 -25.742 11.224 -3.758 49 2HB MET 7 1HB MET 7 -25.469 12.789 -2.994 50 1HG MET 7 2HG MET 7 -27.564 13.640 -3.977 51 2HG MET 7 1HG MET 7 -27.835 12.081 -4.756 52 1HE MET 7 1HE MET 7 -30.009 11.521 -3.886 53 2HE MET 7 3HE MET 7 -30.561 11.661 -2.212 54 3HE MET 7 2HE MET 7 -30.157 13.107 -3.133 55 H CYS 8 H CYS 8 -23.613 11.003 -5.929 56 HA CYS 8 HA CYS 8 -21.326 11.825 -4.345 57 1HB CYS 8 2HB CYS 8 -21.536 9.917 -6.693 58 2HB CYS 8 1HB CYS 8 -20.117 10.095 -5.660 59 H HIS 9 H HIS 9 -22.419 12.402 -7.642 60 HA HIS 9 HA HIS 9 -20.084 13.349 -8.853 61 1HB HIS 9 2HB HIS 9 -22.009 13.298 -10.222 62 2HB HIS 9 1HB HIS 9 -22.968 14.215 -9.062 63 HD1 HIS 9 HD1 HIS 9 -21.958 16.778 -8.653 64 HD2 HIS 9 HD2 HIS 9 -21.016 14.893 -12.249 65 HE1 HIS 9 HE1 HIS 9 -21.232 18.603 -10.247 66 H GLU 10 H GLU 10 -22.321 15.164 -6.741 67 HA GLU 10 HA GLU 10 -20.804 17.604 -6.810 68 1HB GLU 10 2HB GLU 10 -22.784 16.545 -4.775 69 2HB GLU 10 1HB GLU 10 -22.139 18.186 -4.770 70 1HG GLU 10 2HG GLU 10 -23.021 18.498 -7.085 71 2HG GLU 10 1HG GLU 10 -23.747 16.893 -6.993 72 H PHE 11 H PHE 11 -20.756 14.797 -4.610 73 HA PHE 11 HA PHE 11 -18.893 16.019 -2.768 74 1HB PHE 11 2HB PHE 11 -20.361 13.585 -2.915 75 2HB PHE 11 1HB PHE 11 -18.660 13.157 -2.733 76 HD1 PHE 11 HD1 PHE 11 -17.797 15.685 -1.249 77 HD2 PHE 11 HD2 PHE 11 -21.126 13.025 -0.690 78 HE1 PHE 11 HE1 PHE 11 -17.901 16.314 1.145 79 HE2 PHE 11 HE2 PHE 11 -21.229 13.660 1.700 80 HZ PHE 11 HZ PHE 11 -19.618 15.303 2.620 81 H GLN 12 H GLN 12 -18.535 14.686 -5.892 82 HA GLN 12 HA GLN 12 -15.864 13.633 -5.664 83 1HB GLN 12 2HB GLN 12 -17.471 14.718 -7.986 84 2HB GLN 12 1HB GLN 12 -15.819 14.134 -8.184 85 1HG GLN 12 2HG GLN 12 -16.455 11.941 -7.308 86 2HG GLN 12 1HG GLN 12 -18.093 12.516 -6.995 87 1HE2 GLN 12 1HE2 GLN 12 -17.875 10.331 -8.688 88 2HE2 GLN 12 2HE2 GLN 12 -18.170 10.792 -10.295 89 H ALA 13 H ALA 13 -17.160 16.867 -6.344 90 HA ALA 13 HA ALA 13 -14.748 18.154 -7.077 91 1HB ALA 13 2HB ALA 13 -17.153 19.189 -5.550 92 2HB ALA 13 1HB ALA 13 -15.843 20.226 -6.114 93 3HB ALA 13 3HB ALA 13 -16.835 19.347 -7.277 94 H PHE 14 H PHE 14 -16.069 17.389 -3.877 95 HA PHE 14 HA PHE 14 -13.853 18.721 -2.497 96 1HB PHE 14 2HB PHE 14 -16.003 16.837 -1.476 97 2HB PHE 14 1HB PHE 14 -14.868 17.724 -0.459 98 HD1 PHE 14 HD1 PHE 14 -14.936 20.216 -0.380 99 HD2 PHE 14 HD2 PHE 14 -17.890 17.923 -2.495 100 HE1 PHE 14 HE1 PHE 14 -16.427 22.196 -0.445 101 HE2 PHE 14 HE2 PHE 14 -19.380 19.904 -2.560 102 HZ PHE 14 HZ PHE 14 -18.649 22.041 -1.535 103 H MET 15 H MET 15 -13.965 15.990 -4.299 104 HA MET 15 HA MET 15 -12.521 14.181 -2.514 105 1HB MET 15 2HB MET 15 -14.031 13.441 -4.415 106 2HB MET 15 1HB MET 15 -12.780 13.999 -5.526 107 1HG MET 15 2HG MET 15 -11.154 12.502 -4.310 108 2HG MET 15 1HG MET 15 -12.519 11.843 -3.411 109 1HE MET 15 3HE MET 15 -11.882 13.106 -6.970 110 2HE MET 15 2HE MET 15 -10.564 11.955 -6.767 111 3HE MET 15 1HE MET 15 -11.830 11.634 -7.950 112 H LYS 16 H LYS 16 -10.290 13.674 -2.664 113 HA LYS 16 HA LYS 16 -8.593 15.151 -4.557 114 1HB LYS 16 2HB LYS 16 -9.020 16.731 -2.626 115 2HB LYS 16 1HB LYS 16 -8.216 15.563 -1.578 116 1HG LYS 16 2HG LYS 16 -6.188 15.709 -2.999 117 2HG LYS 16 1HG LYS 16 -6.992 16.918 -4.000 118 1HD LYS 16 2HD LYS 16 -7.255 18.366 -1.994 119 2HD LYS 16 1HD LYS 16 -6.378 17.171 -1.040 120 1HE LYS 16 2HE LYS 16 -4.371 17.501 -2.309 121 2HE LYS 16 1HE LYS 16 -5.224 18.442 -3.533 122 1HZ LYS 16 2HZ LYS 16 -5.534 19.484 -0.876 123 2HZ LYS 16 1HZ LYS 16 -3.916 19.464 -1.393 124 3HZ LYS 16 3HZ LYS 16 -5.087 20.281 -2.309 125 H ASN 17 H ASN 17 -6.623 14.087 -4.856 126 HA ASN 17 HA ASN 17 -5.188 12.222 -4.807 127 1HB ASN 17 2HB ASN 17 -4.813 13.541 -2.548 128 2HB ASN 17 1HB ASN 17 -5.568 12.117 -1.832 129 1HD2 ASN 17 1HD2 ASN 17 -2.989 12.388 -1.077 130 2HD2 ASN 17 2HD2 ASN 17 -1.959 11.342 -1.929 131 H GLY 18 H GLY 18 -8.129 11.732 -4.953 132 1HA GLY 18 1HA GLY 18 -8.029 8.856 -4.464 133 2HA GLY 18 2HA GLY 18 -9.392 9.742 -5.149 134 H LYS 19 H LYS 19 -8.923 11.594 -2.645 135 HA LYS 19 HA LYS 19 -10.396 9.836 -0.722 136 1HB LYS 19 2HB LYS 19 -8.103 10.734 -0.033 137 2HB LYS 19 1HB LYS 19 -8.842 12.335 -0.024 138 1HG LYS 19 2HG LYS 19 -10.664 10.862 1.417 139 2HG LYS 19 1HG LYS 19 -9.138 10.117 1.895 140 1HD LYS 19 2HD LYS 19 -8.307 12.571 2.194 141 2HD LYS 19 1HD LYS 19 -10.023 12.979 2.218 142 1HE LYS 19 2HE LYS 19 -9.896 10.805 3.922 143 2HE LYS 19 1HE LYS 19 -8.388 11.652 4.265 144 1HZ LYS 19 2HZ LYS 19 -10.866 13.207 4.047 145 2HZ LYS 19 1HZ LYS 19 -10.585 12.318 5.467 146 3HZ LYS 19 3HZ LYS 19 -9.479 13.509 4.982 147 H LEU 20 H LEU 20 -12.275 10.704 0.243 148 HA LEU 20 HA LEU 20 -13.416 13.035 -1.203 149 1HB LEU 20 2HB LEU 20 -14.797 11.021 -1.148 150 2HB LEU 20 1HB LEU 20 -14.692 10.966 0.611 151 HG LEU 20 HG LEU 20 -15.812 13.188 0.716 152 1HD1 LEU 20 1HD1 LEU 20 -15.110 13.282 -1.997 153 2HD1 LEU 20 3HD1 LEU 20 -16.866 13.115 -1.993 154 3HD1 LEU 20 2HD1 LEU 20 -16.104 14.452 -1.130 155 1HD2 LEU 20 2HD2 LEU 20 -17.238 10.990 -0.809 156 2HD2 LEU 20 1HD2 LEU 20 -17.201 11.217 0.940 157 3HD2 LEU 20 3HD2 LEU 20 -18.058 12.371 -0.081 158 H PHE 21 H PHE 21 -13.393 14.996 -0.209 159 HA PHE 21 HA PHE 21 -12.687 15.153 2.645 160 1HB PHE 21 2HB PHE 21 -13.090 17.231 0.484 161 2HB PHE 21 1HB PHE 21 -12.792 17.661 2.168 162 HD1 PHE 21 HD1 PHE 21 -10.899 15.466 2.942 163 HD2 PHE 21 HD2 PHE 21 -11.087 17.905 -0.591 164 HE1 PHE 21 HE1 PHE 21 -8.469 15.140 2.587 165 HE2 PHE 21 HE2 PHE 21 -8.653 17.580 -0.942 166 HZ PHE 21 HZ PHE 21 -7.345 16.198 0.647 167 H CYS 22 H CYS 22 -14.343 14.853 4.049 168 HA CYS 22 HA CYS 22 -17.087 15.618 3.328 169 1HB CYS 22 2HB CYS 22 -16.017 14.550 5.957 170 2HB CYS 22 1HB CYS 22 -17.706 14.597 5.449 171 HA PRO 23 HA PRO 23 -16.328 19.726 5.064 172 1HB PRO 23 2HB PRO 23 -18.746 20.732 4.402 173 2HB PRO 23 1HB PRO 23 -17.425 20.566 3.242 174 1HG PRO 23 2HG PRO 23 -19.798 18.793 3.684 175 2HG PRO 23 1HG PRO 23 -19.083 19.334 2.162 176 1HD PRO 23 2HD PRO 23 -18.613 16.871 3.183 177 2HD PRO 23 1HD PRO 23 -17.408 17.744 2.236 178 H GLN 24 H GLN 24 -16.842 20.584 7.065 179 HA GLN 24 HA GLN 24 -18.295 19.010 8.956 180 1HB GLN 24 2HB GLN 24 -17.548 21.949 9.057 181 2HB GLN 24 1HB GLN 24 -18.099 20.997 10.435 182 1HG GLN 24 2HG GLN 24 -16.175 19.517 10.239 183 2HG GLN 24 1HG GLN 24 -15.654 20.335 8.766 184 1HE2 GLN 24 1HE2 GLN 24 -13.959 20.196 11.079 185 2HE2 GLN 24 2HE2 GLN 24 -13.781 21.764 11.704 186 H ASP 25 H ASP 25 -19.271 21.593 6.793 187 HA ASP 25 HA ASP 25 -21.723 22.330 8.022 188 1HB ASP 25 2HB ASP 25 -20.959 22.203 5.090 189 2HB ASP 25 1HB ASP 25 -22.430 22.965 5.694 190 H LYS 26 H LYS 26 -23.843 21.504 7.789 191 HA LYS 26 HA LYS 26 -24.026 18.801 6.518 192 1HB LYS 26 2HB LYS 26 -23.992 18.709 9.028 193 2HB LYS 26 1HB LYS 26 -25.455 19.694 9.040 194 1HG LYS 26 2HG LYS 26 -26.613 17.965 7.692 195 2HG LYS 26 1HG LYS 26 -25.153 16.976 7.724 196 1HD LYS 26 2HD LYS 26 -25.271 16.965 10.223 197 2HD LYS 26 1HD LYS 26 -26.801 17.838 10.121 198 1HE LYS 26 2HE LYS 26 -27.860 15.866 9.880 199 2HE LYS 26 1HE LYS 26 -27.015 15.639 8.349 200 1HZ LYS 26 3HZ LYS 26 -25.089 14.870 9.848 201 2HZ LYS 26 2HZ LYS 26 -26.291 14.656 11.029 202 3HZ LYS 26 1HZ LYS 26 -26.376 13.804 9.562 203 H LYS 27 H LYS 27 -25.786 18.517 5.186 204 HA LYS 27 HA LYS 27 -27.714 20.799 5.028 205 1HB LYS 27 2HB LYS 27 -26.447 19.038 2.968 206 2HB LYS 27 1HB LYS 27 -28.084 19.620 2.665 207 1HG LYS 27 2HG LYS 27 -26.975 21.433 1.812 208 2HG LYS 27 1HG LYS 27 -26.921 21.919 3.507 209 1HD LYS 27 2HD LYS 27 -24.673 22.105 2.831 210 2HD LYS 27 1HD LYS 27 -24.727 20.517 3.598 211 1HE LYS 27 2HE LYS 27 -23.620 20.073 1.574 212 2HE LYS 27 1HE LYS 27 -25.291 19.649 1.201 213 1HZ LYS 27 1HZ LYS 27 -24.522 22.423 0.775 214 2HZ LYS 27 3HZ LYS 27 -23.857 21.287 -0.295 215 3HZ LYS 27 2HZ LYS 27 -25.543 21.423 -0.144 216 HA PRO 28 HA PRO 28 -31.036 18.080 6.117 217 1HB PRO 28 2HB PRO 28 -33.056 19.086 4.626 218 2HB PRO 28 1HB PRO 28 -32.416 19.902 6.054 219 1HG PRO 28 2HG PRO 28 -31.836 20.410 3.160 220 2HG PRO 28 1HG PRO 28 -32.129 21.574 4.457 221 1HD PRO 28 2HD PRO 28 -29.637 20.998 3.581 222 2HD PRO 28 1HD PRO 28 -29.968 21.416 5.262 223 H ILE 29 H ILE 29 -29.651 16.432 4.697 224 HA ILE 29 HA ILE 29 -31.383 15.572 2.415 225 HB ILE 29 HB ILE 29 -28.463 15.836 2.680 226 1HG1 ILE 29 2HG1 ILE 29 -30.030 16.935 1.007 227 2HG1 ILE 29 1HG1 ILE 29 -28.602 16.163 0.317 228 1HG2 ILE 29 3HG2 ILE 29 -28.695 13.339 2.851 229 2HG2 ILE 29 2HG2 ILE 29 -29.557 13.355 1.314 230 3HG2 ILE 29 1HG2 ILE 29 -27.868 13.857 1.383 231 1HD1 ILE 29 1HD1 ILE 29 -30.679 14.198 0.544 232 2HD1 ILE 29 3HD1 ILE 29 -31.338 15.620 -0.268 233 3HD1 ILE 29 2HD1 ILE 29 -29.911 14.814 -0.920 234 H GLN 30 H GLN 30 -32.547 13.801 2.957 235 HA GLN 30 HA GLN 30 -31.698 12.130 5.224 236 1HB GLN 30 2HB GLN 30 -34.104 11.969 3.381 237 2HB GLN 30 1HB GLN 30 -33.834 10.915 4.770 238 1HG GLN 30 2HG GLN 30 -33.744 12.932 6.236 239 2HG GLN 30 1HG GLN 30 -34.128 13.934 4.836 240 1HE2 GLN 30 1HE2 GLN 30 -35.875 13.815 7.108 241 2HE2 GLN 30 2HE2 GLN 30 -37.316 13.053 6.634 242 H SER 31 H SER 31 -29.990 10.829 4.659 243 HA SER 31 HA SER 31 -29.789 9.655 1.995 244 1HB SER 31 2HB SER 31 -27.657 9.124 2.587 245 2HB SER 31 1HB SER 31 -27.953 10.288 3.880 246 HG SER 31 HG SER 31 -28.538 8.584 5.225 247 H LEU 32 H LEU 32 -28.875 7.112 2.456 248 HA LEU 32 HA LEU 32 -31.340 5.741 3.444 249 1HB LEU 32 2HB LEU 32 -29.324 4.769 1.397 250 2HB LEU 32 1HB LEU 32 -30.834 3.975 1.834 251 HG LEU 32 HG LEU 32 -32.051 6.054 1.062 252 1HD1 LEU 32 1HD1 LEU 32 -29.225 6.826 0.491 253 2HD1 LEU 32 3HD1 LEU 32 -30.440 7.282 -0.702 254 3HD1 LEU 32 2HD1 LEU 32 -30.590 7.837 0.965 255 1HD2 LEU 32 1HD2 LEU 32 -31.591 3.940 -0.328 256 2HD2 LEU 32 3HD2 LEU 32 -32.007 5.401 -1.225 257 3HD2 LEU 32 2HD2 LEU 32 -30.325 4.879 -1.121 258 H ASP 33 H ASP 33 -27.960 6.096 3.945 259 HA ASP 33 HA ASP 33 -27.532 3.449 5.101 260 1HB ASP 33 2HB ASP 33 -25.700 4.843 4.096 261 2HB ASP 33 1HB ASP 33 -25.862 5.954 5.456 262 H GLY 34 H GLY 34 -29.463 5.825 6.159 263 1HA GLY 34 1HA GLY 34 -29.152 4.979 8.969 264 2HA GLY 34 2HA GLY 34 -30.502 5.907 8.311 265 H ILE 35 H ILE 35 -28.202 7.551 6.941 266 HA ILE 35 HA ILE 35 -27.633 9.244 9.344 267 HB ILE 35 HB ILE 35 -25.947 9.212 6.838 268 1HG1 ILE 35 2HG1 ILE 35 -25.454 7.586 9.348 269 2HG1 ILE 35 1HG1 ILE 35 -26.092 6.908 7.849 270 1HG2 ILE 35 3HG2 ILE 35 -25.508 10.068 9.713 271 2HG2 ILE 35 2HG2 ILE 35 -24.237 10.035 8.491 272 3HG2 ILE 35 1HG2 ILE 35 -25.617 11.117 8.300 273 1HD1 ILE 35 3HD1 ILE 35 -24.051 7.820 6.671 274 2HD1 ILE 35 2HD1 ILE 35 -23.402 8.246 8.254 275 3HD1 ILE 35 1HD1 ILE 35 -23.700 6.556 7.849 276 H MET 36 H MET 36 -27.384 11.605 8.765 277 HA MET 36 HA MET 36 -29.404 12.310 6.687 278 1HB MET 36 2HB MET 36 -28.354 13.841 9.085 279 2HB MET 36 1HB MET 36 -29.455 14.526 7.889 280 1HG MET 36 2HG MET 36 -31.038 12.627 8.371 281 2HG MET 36 1HG MET 36 -29.971 12.142 9.688 282 1HE MET 36 3HE MET 36 -28.810 14.531 10.824 283 2HE MET 36 2HE MET 36 -29.924 15.177 12.027 284 3HE MET 36 1HE MET 36 -29.652 13.439 11.932 285 H PHE 37 H PHE 37 -28.305 12.620 4.787 286 HA PHE 37 HA PHE 37 -26.900 13.682 3.245 287 1HB PHE 37 2HB PHE 37 -27.576 15.772 4.296 288 2HB PHE 37 1HB PHE 37 -26.394 15.538 5.579 289 HD1 PHE 37 HD1 PHE 37 -26.822 16.225 1.964 290 HD2 PHE 37 HD2 PHE 37 -24.044 15.947 5.228 291 HE1 PHE 37 HE1 PHE 37 -25.080 17.298 0.570 292 HE2 PHE 37 HE2 PHE 37 -22.299 17.021 3.832 293 HZ PHE 37 HZ PHE 37 -22.816 17.697 1.502 294 H ILE 38 H ILE 38 -25.253 13.785 6.417 295 HA ILE 38 HA ILE 38 -22.621 13.550 5.681 296 HB ILE 38 HB ILE 38 -23.996 11.920 7.839 297 1HG1 ILE 38 2HG1 ILE 38 -24.394 14.262 8.204 298 2HG1 ILE 38 1HG1 ILE 38 -23.079 13.799 9.284 299 1HG2 ILE 38 2HG2 ILE 38 -21.355 11.756 6.876 300 2HG2 ILE 38 1HG2 ILE 38 -21.256 12.706 8.358 301 3HG2 ILE 38 3HG2 ILE 38 -21.972 11.095 8.390 302 1HD1 ILE 38 3HD1 ILE 38 -21.453 14.599 7.547 303 2HD1 ILE 38 2HD1 ILE 38 -22.820 15.190 6.602 304 3HD1 ILE 38 1HD1 ILE 38 -22.478 15.883 8.187 305 H ASN 39 H ASN 39 -25.102 11.105 5.301 306 HA ASN 39 HA ASN 39 -23.477 8.822 4.857 307 1HB ASN 39 2HB ASN 39 -26.052 8.981 4.975 308 2HB ASN 39 1HB ASN 39 -25.966 9.416 3.268 309 1HD2 ASN 39 1HD2 ASN 39 -26.928 7.401 2.512 310 2HD2 ASN 39 2HD2 ASN 39 -26.101 5.923 2.633 311 H LYS 40 H LYS 40 -24.592 11.332 2.566 312 HA LYS 40 HA LYS 40 -23.675 10.328 0.169 313 1HB LYS 40 2HB LYS 40 -23.289 13.167 1.163 314 2HB LYS 40 1HB LYS 40 -23.194 12.663 -0.525 315 1HG LYS 40 2HG LYS 40 -25.519 11.952 -0.494 316 2HG LYS 40 1HG LYS 40 -25.634 12.281 1.235 317 1HD LYS 40 2HD LYS 40 -26.609 14.153 0.027 318 2HD LYS 40 1HD LYS 40 -25.091 14.684 0.750 319 1HE LYS 40 2HE LYS 40 -24.274 13.696 -1.697 320 2HE LYS 40 1HE LYS 40 -25.827 14.436 -2.084 321 1HZ LYS 40 3HZ LYS 40 -24.036 15.951 -0.355 322 2HZ LYS 40 2HZ LYS 40 -23.583 15.812 -1.986 323 3HZ LYS 40 1HZ LYS 40 -25.084 16.493 -1.574 324 H CYS 41 H CYS 41 -21.697 11.967 2.618 325 HA CYS 41 HA CYS 41 -19.222 11.558 1.142 326 1HB CYS 41 2HB CYS 41 -19.928 13.238 3.141 327 2HB CYS 41 1HB CYS 41 -19.147 11.972 4.079 328 H ALA 42 H ALA 42 -20.951 9.900 3.731 329 HA ALA 42 HA ALA 42 -18.794 8.023 4.271 330 1HB ALA 42 2HB ALA 42 -20.688 8.708 5.863 331 2HB ALA 42 3HB ALA 42 -20.299 6.989 5.790 332 3HB ALA 42 1HB ALA 42 -21.710 7.611 4.935 333 H THR 43 H THR 43 -21.375 8.199 1.943 334 HA THR 43 HA THR 43 -21.029 5.307 1.310 335 HB THR 43 HB THR 43 -22.949 6.844 -0.301 336 HG1 THR 43 HG1 THR 43 -23.747 7.881 1.327 337 1HG2 THR 43 3HG2 THR 43 -22.515 4.212 0.465 338 2HG2 THR 43 2HG2 THR 43 -23.925 4.686 1.413 339 3HG2 THR 43 1HG2 THR 43 -23.958 4.824 -0.345 340 H CYS 44 H CYS 44 -21.038 8.503 -0.283 341 HA CYS 44 HA CYS 44 -20.156 7.603 -2.826 342 1HB CYS 44 2HB CYS 44 -19.718 10.247 -1.415 343 2HB CYS 44 1HB CYS 44 -19.338 9.961 -3.113 344 H LYS 45 H LYS 45 -18.364 8.291 0.139 345 HA LYS 45 HA LYS 45 -15.751 8.510 -0.821 346 1HB LYS 45 2HB LYS 45 -16.535 8.480 1.620 347 2HB LYS 45 1HB LYS 45 -16.471 6.721 1.513 348 1HG LYS 45 2HG LYS 45 -14.102 6.803 0.935 349 2HG LYS 45 1HG LYS 45 -14.143 8.566 0.896 350 1HD LYS 45 2HD LYS 45 -14.744 8.602 3.293 351 2HD LYS 45 1HD LYS 45 -14.693 6.839 3.330 352 1HE LYS 45 2HE LYS 45 -12.420 6.789 3.381 353 2HE LYS 45 1HE LYS 45 -12.274 8.094 2.204 354 1HZ LYS 45 2HZ LYS 45 -13.315 9.321 4.388 355 2HZ LYS 45 1HZ LYS 45 -12.227 8.207 5.068 356 3HZ LYS 45 3HZ LYS 45 -11.679 9.340 3.932 357 H MET 46 H MET 46 -17.619 5.521 -0.293 358 HA MET 46 HA MET 46 -15.499 3.843 -1.391 359 1HB MET 46 2HB MET 46 -18.427 3.214 -0.895 360 2HB MET 46 1HB MET 46 -17.156 2.034 -1.215 361 1HG MET 46 2HG MET 46 -15.962 2.815 0.829 362 2HG MET 46 1HG MET 46 -17.303 3.911 1.165 363 1HE MET 46 2HE MET 46 -19.648 3.281 1.660 364 2HE MET 46 1HE MET 46 -19.812 2.296 0.209 365 3HE MET 46 3HE MET 46 -20.305 1.650 1.780 366 H ILE 47 H ILE 47 -18.191 5.653 -2.610 367 HA ILE 47 HA ILE 47 -18.406 4.211 -5.134 368 HB ILE 47 HB ILE 47 -19.362 6.996 -4.395 369 1HG1 ILE 47 2HG1 ILE 47 -20.398 5.437 -2.900 370 2HG1 ILE 47 1HG1 ILE 47 -21.581 5.762 -4.165 371 1HG2 ILE 47 1HG2 ILE 47 -19.450 5.401 -6.841 372 2HG2 ILE 47 3HG2 ILE 47 -21.059 5.872 -6.293 373 3HG2 ILE 47 2HG2 ILE 47 -19.837 7.105 -6.602 374 1HD1 ILE 47 3HD1 ILE 47 -20.379 3.686 -5.324 375 2HD1 ILE 47 2HD1 ILE 47 -19.975 3.290 -3.654 376 3HD1 ILE 47 1HD1 ILE 47 -21.663 3.449 -4.139 377 H LEU 48 H LEU 48 -16.564 6.942 -3.894 378 HA LEU 48 HA LEU 48 -15.661 7.798 -6.538 379 1HB LEU 48 2HB LEU 48 -14.614 8.439 -3.761 380 2HB LEU 48 1HB LEU 48 -14.075 9.222 -5.246 381 HG LEU 48 HG LEU 48 -16.818 9.326 -3.979 382 1HD1 LEU 48 2HD1 LEU 48 -15.029 10.948 -3.277 383 2HD1 LEU 48 1HD1 LEU 48 -14.957 11.513 -4.946 384 3HD1 LEU 48 3HD1 LEU 48 -16.437 11.719 -4.009 385 1HD2 LEU 48 1HD2 LEU 48 -15.953 9.982 -6.800 386 2HD2 LEU 48 3HD2 LEU 48 -17.309 8.980 -6.283 387 3HD2 LEU 48 2HD2 LEU 48 -17.370 10.729 -6.061 388 H GLU 49 H GLU 49 -14.584 5.568 -4.061 389 HA GLU 49 HA GLU 49 -11.876 5.264 -4.966 390 1HB GLU 49 2HB GLU 49 -13.735 3.386 -3.482 391 2HB GLU 49 1HB GLU 49 -12.034 3.031 -3.784 392 1HG GLU 49 2HG GLU 49 -11.390 5.097 -2.595 393 2HG GLU 49 1HG GLU 49 -13.091 5.455 -2.295 394 H LYS 50 H LYS 50 -14.929 3.726 -5.898 395 HA LYS 50 HA LYS 50 -13.878 1.654 -7.527 396 1HB LYS 50 2HB LYS 50 -16.413 3.286 -7.873 397 2HB LYS 50 1HB LYS 50 -16.059 1.791 -8.740 398 1HG LYS 50 2HG LYS 50 -15.838 0.621 -6.543 399 2HG LYS 50 1HG LYS 50 -16.321 2.112 -5.735 400 1HD LYS 50 2HD LYS 50 -18.449 2.082 -7.042 401 2HD LYS 50 1HD LYS 50 -17.970 0.532 -7.732 402 1HE LYS 50 2HE LYS 50 -17.821 0.686 -4.781 403 2HE LYS 50 1HE LYS 50 -19.449 0.787 -5.452 404 1HZ LYS 50 2HZ LYS 50 -18.722 -1.206 -6.858 405 2HZ LYS 50 1HZ LYS 50 -17.472 -1.386 -5.720 406 3HZ LYS 50 3HZ LYS 50 -19.091 -1.475 -5.221 407 H GLU 51 H GLU 51 -14.384 5.090 -8.178 408 HA GLU 51 HA GLU 51 -13.950 5.032 -10.994 409 1HB GLU 51 2HB GLU 51 -14.780 7.016 -9.716 410 2HB GLU 51 1HB GLU 51 -13.159 7.226 -9.054 411 1HG GLU 51 2HG GLU 51 -13.337 8.694 -10.954 412 2HG GLU 51 1HG GLU 51 -12.313 7.344 -11.442 413 H ALA 52 H ALA 52 -11.720 4.989 -8.266 414 HA ALA 52 HA ALA 52 -9.322 5.565 -9.709 415 1HB ALA 52 1HB ALA 52 -9.242 3.600 -7.463 416 2HB ALA 52 2HB ALA 52 -9.839 5.220 -7.104 417 3HB ALA 52 3HB ALA 52 -8.217 5.004 -7.762 418 H LYS 53 H LYS 53 -11.251 2.657 -9.393 419 HA LYS 53 HA LYS 53 -9.317 0.748 -10.258 420 1HB LYS 53 2HB LYS 53 -12.323 0.806 -10.664 421 2HB LYS 53 1HB LYS 53 -11.302 -0.600 -10.966 422 1HG LYS 53 2HG LYS 53 -10.540 -0.499 -8.586 423 2HG LYS 53 1HG LYS 53 -11.677 0.820 -8.311 424 1HD LYS 53 2HD LYS 53 -13.527 -0.693 -9.071 425 2HD LYS 53 1HD LYS 53 -12.357 -2.009 -9.168 426 1HE LYS 53 2HE LYS 53 -12.856 -0.396 -6.651 427 2HE LYS 53 1HE LYS 53 -13.658 -1.927 -7.001 428 1HZ LYS 53 3HZ LYS 53 -11.243 -2.740 -7.387 429 2HZ LYS 53 2HZ LYS 53 -10.824 -1.402 -6.427 430 3HZ LYS 53 1HZ LYS 53 -11.843 -2.611 -5.806 431 H SER 54 H SER 54 -11.423 2.955 -12.054 432 HA SER 54 HA SER 54 -10.911 1.863 -14.657 433 1HB SER 54 2HB SER 54 -11.796 3.952 -15.512 434 2HB SER 54 1HB SER 54 -12.743 3.496 -14.095 435 HG SER 54 HG SER 54 -10.734 5.459 -14.333 436 H GLN 55 H GLN 55 -9.070 3.948 -12.548 437 HA GLN 55 HA GLN 55 -7.297 4.957 -14.620 438 1HB GLN 55 2HB GLN 55 -6.963 4.810 -11.608 439 2HB GLN 55 1HB GLN 55 -5.894 5.692 -12.699 440 1HG GLN 55 2HG GLN 55 -7.770 7.097 -13.430 441 2HG GLN 55 1HG GLN 55 -8.873 6.189 -12.396 442 1HE2 GLN 55 1HE2 GLN 55 -8.590 8.969 -11.981 443 2HE2 GLN 55 2HE2 GLN 55 -7.767 9.239 -10.521 No H/Q in entry = 443 Start of MODEL 18 1 H1 LYS 1 3H LYS 1 3.939 0.162 -3.199 2 H2 LYS 1 2H LYS 1 4.886 1.554 -2.971 3 H3 LYS 1 1H LYS 1 3.697 1.520 -4.185 4 HA LYS 1 HA LYS 1 5.241 0.874 -5.616 5 1HB LYS 1 2HB LYS 1 6.936 0.487 -3.133 6 2HB LYS 1 1HB LYS 1 7.550 0.281 -4.773 7 1HG LYS 1 2HG LYS 1 6.824 2.620 -5.287 8 2HG LYS 1 1HG LYS 1 6.357 2.809 -3.597 9 1HD LYS 1 2HD LYS 1 8.720 2.213 -2.957 10 2HD LYS 1 1HD LYS 1 9.138 2.254 -4.669 11 1HE LYS 1 2HE LYS 1 9.609 4.448 -4.204 12 2HE LYS 1 1HE LYS 1 7.873 4.639 -4.447 13 1HZ LYS 1 2HZ LYS 1 7.687 4.110 -1.985 14 2HZ LYS 1 1HZ LYS 1 9.357 4.409 -1.902 15 3HZ LYS 1 3HZ LYS 1 8.301 5.639 -2.402 16 H ASN 2 H ASN 2 5.698 -1.327 -2.820 17 HA ASN 2 HA ASN 2 6.163 -3.680 -4.280 18 1HB ASN 2 2HB ASN 2 4.637 -3.389 -1.673 19 2HB ASN 2 1HB ASN 2 5.330 -4.891 -2.286 20 1HD2 ASN 2 1HD2 ASN 2 6.140 -3.644 0.222 21 2HD2 ASN 2 2HD2 ASN 2 7.767 -3.189 0.060 22 H GLU 3 H GLU 3 3.155 -1.977 -3.710 23 HA GLU 3 HA GLU 3 1.266 -3.988 -4.254 24 1HB GLU 3 2HB GLU 3 0.724 -1.632 -3.606 25 2HB GLU 3 1HB GLU 3 1.149 -1.122 -5.240 26 1HG GLU 3 2HG GLU 3 -0.573 -2.733 -6.115 27 2HG GLU 3 1HG GLU 3 -1.065 -3.036 -4.449 28 H ASP 4 H ASP 4 3.593 -2.533 -6.371 29 HA ASP 4 HA ASP 4 2.251 -3.147 -8.860 30 1HB ASP 4 2HB ASP 4 4.487 -2.777 -9.873 31 2HB ASP 4 1HB ASP 4 4.051 -1.478 -8.760 32 H GLN 5 H GLN 5 4.132 -4.990 -6.589 33 HA GLN 5 HA GLN 5 4.974 -7.083 -8.378 34 1HB GLN 5 2HB GLN 5 4.507 -7.048 -5.384 35 2HB GLN 5 1HB GLN 5 5.189 -8.426 -6.248 36 1HG GLN 5 2HG GLN 5 7.022 -6.994 -7.082 37 2HG GLN 5 1HG GLN 5 6.342 -5.619 -6.210 38 1HE2 GLN 5 1HE2 GLN 5 8.969 -6.531 -5.600 39 2HE2 GLN 5 2HE2 GLN 5 8.963 -7.225 -4.051 40 H GLU 6 H GLU 6 1.989 -6.433 -6.641 41 HA GLU 6 HA GLU 6 0.861 -9.072 -6.927 42 1HB GLU 6 2HB GLU 6 -0.501 -6.378 -6.614 43 2HB GLU 6 1HB GLU 6 -1.301 -7.942 -6.451 44 1HG GLU 6 2HG GLU 6 0.227 -8.527 -4.600 45 2HG GLU 6 1HG GLU 6 1.020 -6.960 -4.761 46 H MET 7 H MET 7 0.180 -6.044 -8.730 47 HA MET 7 HA MET 7 -1.498 -7.049 -10.696 48 1HB MET 7 2HB MET 7 0.723 -5.005 -10.918 49 2HB MET 7 1HB MET 7 -0.397 -5.338 -12.240 50 1HG MET 7 2HG MET 7 -2.301 -4.769 -10.797 51 2HG MET 7 1HG MET 7 -1.210 -4.497 -9.438 52 1HE MET 7 3HE MET 7 -1.949 -2.496 -8.847 53 2HE MET 7 2HE MET 7 -1.685 -0.931 -9.613 54 3HE MET 7 1HE MET 7 -3.078 -1.906 -10.075 55 H CYS 8 H CYS 8 1.888 -7.736 -10.250 56 HA CYS 8 HA CYS 8 2.356 -8.758 -12.921 57 1HB CYS 8 2HB CYS 8 4.203 -8.001 -11.470 58 2HB CYS 8 1HB CYS 8 3.834 -9.292 -10.329 59 H HIS 9 H HIS 9 1.162 -10.128 -9.900 60 HA HIS 9 HA HIS 9 1.493 -12.878 -10.455 61 1HB HIS 9 2HB HIS 9 -0.126 -13.285 -8.790 62 2HB HIS 9 1HB HIS 9 0.517 -11.708 -8.341 63 HD1 HIS 9 HD1 HIS 9 -2.354 -13.083 -10.457 64 HD2 HIS 9 HD2 HIS 9 -1.471 -9.818 -8.021 65 HE1 HIS 9 HE1 HIS 9 -4.471 -11.700 -10.318 66 H GLU 10 H GLU 10 -0.812 -10.560 -11.731 67 HA GLU 10 HA GLU 10 -2.577 -12.494 -12.949 68 1HB GLU 10 2HB GLU 10 -3.250 -10.151 -12.523 69 2HB GLU 10 1HB GLU 10 -2.054 -9.600 -13.695 70 1HG GLU 10 2HG GLU 10 -4.147 -9.682 -14.861 71 2HG GLU 10 1HG GLU 10 -3.224 -11.084 -15.403 72 H PHE 11 H PHE 11 0.433 -10.956 -13.920 73 HA PHE 11 HA PHE 11 0.190 -12.111 -16.641 74 1HB PHE 11 2HB PHE 11 1.818 -9.982 -15.373 75 2HB PHE 11 1HB PHE 11 2.643 -10.933 -16.605 76 HD1 PHE 11 HD1 PHE 11 0.236 -11.573 -18.355 77 HD2 PHE 11 HD2 PHE 11 1.546 -7.916 -16.513 78 HE1 PHE 11 HE1 PHE 11 -0.928 -10.270 -20.105 79 HE2 PHE 11 HE2 PHE 11 0.386 -6.621 -18.271 80 HZ PHE 11 HZ PHE 11 -0.856 -7.792 -20.066 81 H GLN 12 H GLN 12 1.169 -13.166 -13.673 82 HA GLN 12 HA GLN 12 3.699 -14.397 -14.259 83 1HB GLN 12 2HB GLN 12 1.553 -14.893 -12.198 84 2HB GLN 12 1HB GLN 12 2.961 -15.948 -12.315 85 1HG GLN 12 2HG GLN 12 4.421 -13.912 -12.131 86 2HG GLN 12 1HG GLN 12 2.970 -12.953 -11.840 87 1HE2 GLN 12 1HE2 GLN 12 4.621 -12.799 -9.742 88 2HE2 GLN 12 2HE2 GLN 12 4.170 -13.831 -8.472 89 H ALA 13 H ALA 13 0.336 -15.470 -14.624 90 HA ALA 13 HA ALA 13 1.043 -18.174 -15.392 91 1HB ALA 13 2HB ALA 13 -1.436 -17.662 -16.530 92 2HB ALA 13 3HB ALA 13 -1.396 -16.571 -15.146 93 3HB ALA 13 1HB ALA 13 -1.164 -18.303 -14.910 94 H PHE 14 H PHE 14 0.915 -15.121 -17.031 95 HA PHE 14 HA PHE 14 0.919 -16.407 -19.698 96 1HB PHE 14 2HB PHE 14 0.984 -13.503 -18.829 97 2HB PHE 14 1HB PHE 14 1.011 -14.029 -20.513 98 HD1 PHE 14 HD1 PHE 14 -0.919 -15.393 -21.413 99 HD2 PHE 14 HD2 PHE 14 -1.044 -13.460 -17.579 100 HE1 PHE 14 HE1 PHE 14 -3.390 -15.607 -21.385 101 HE2 PHE 14 HE2 PHE 14 -3.515 -13.674 -17.551 102 HZ PHE 14 HZ PHE 14 -4.688 -14.748 -19.454 103 H MET 15 H MET 15 3.169 -15.846 -17.343 104 HA MET 15 HA MET 15 5.341 -14.838 -19.024 105 1HB MET 15 2HB MET 15 5.068 -14.613 -16.447 106 2HB MET 15 1HB MET 15 5.708 -16.254 -16.388 107 1HG MET 15 2HG MET 15 7.093 -13.982 -17.841 108 2HG MET 15 1HG MET 15 7.455 -14.431 -16.176 109 1HE MET 15 2HE MET 15 7.381 -16.740 -15.550 110 2HE MET 15 1HE MET 15 7.679 -18.148 -16.566 111 3HE MET 15 3HE MET 15 9.032 -17.297 -15.808 112 H LYS 16 H LYS 16 6.749 -16.075 -20.203 113 HA LYS 16 HA LYS 16 6.858 -19.001 -19.658 114 1HB LYS 16 2HB LYS 16 5.209 -18.460 -21.531 115 2HB LYS 16 1HB LYS 16 6.599 -17.904 -22.465 116 1HG LYS 16 2HG LYS 16 7.666 -20.121 -22.173 117 2HG LYS 16 1HG LYS 16 6.252 -20.673 -21.275 118 1HD LYS 16 2HD LYS 16 4.831 -20.292 -23.240 119 2HD LYS 16 1HD LYS 16 6.217 -19.676 -24.140 120 1HE LYS 16 2HE LYS 16 7.341 -21.855 -23.919 121 2HE LYS 16 1HE LYS 16 5.974 -22.475 -22.993 122 1HZ LYS 16 3HZ LYS 16 5.631 -21.346 -25.703 123 2HZ LYS 16 2HZ LYS 16 6.032 -22.980 -25.464 124 3HZ LYS 16 1HZ LYS 16 4.579 -22.359 -24.840 125 H ASN 17 H ASN 17 8.877 -19.929 -20.138 126 HA ASN 17 HA ASN 17 11.223 -19.867 -20.317 127 1HB ASN 17 2HB ASN 17 10.470 -18.051 -22.630 128 2HB ASN 17 1HB ASN 17 12.043 -18.815 -22.407 129 1HD2 ASN 17 1HD2 ASN 17 9.592 -19.197 -24.394 130 2HD2 ASN 17 2HD2 ASN 17 9.438 -20.886 -24.451 131 H GLY 18 H GLY 18 9.925 -17.834 -18.593 132 1HA GLY 18 1HA GLY 18 12.254 -16.148 -18.165 133 2HA GLY 18 2HA GLY 18 10.744 -16.075 -17.253 134 H LYS 19 H LYS 19 9.370 -15.909 -20.014 135 HA LYS 19 HA LYS 19 9.912 -13.002 -20.470 136 1HB LYS 19 2HB LYS 19 10.459 -14.647 -22.364 137 2HB LYS 19 1HB LYS 19 8.719 -14.903 -22.494 138 1HG LYS 19 2HG LYS 19 9.049 -12.111 -22.380 139 2HG LYS 19 1HG LYS 19 10.321 -12.683 -23.459 140 1HD LYS 19 2HD LYS 19 8.500 -14.076 -24.612 141 2HD LYS 19 1HD LYS 19 7.337 -13.106 -23.707 142 1HE LYS 19 2HE LYS 19 7.624 -12.036 -25.842 143 2HE LYS 19 1HE LYS 19 8.479 -11.047 -24.657 144 1HZ LYS 19 1HZ LYS 19 10.525 -12.286 -25.270 145 2HZ LYS 19 3HZ LYS 19 9.659 -13.028 -26.525 146 3HZ LYS 19 2HZ LYS 19 9.888 -11.345 -26.533 147 H LEU 20 H LEU 20 8.070 -11.654 -20.691 148 HA LEU 20 HA LEU 20 5.600 -12.806 -19.526 149 1HB LEU 20 2HB LEU 20 6.872 -10.477 -18.982 150 2HB LEU 20 1HB LEU 20 5.744 -9.917 -20.215 151 HG LEU 20 HG LEU 20 5.115 -11.236 -17.569 152 1HD1 LEU 20 1HD1 LEU 20 4.603 -8.603 -18.913 153 2HD1 LEU 20 3HD1 LEU 20 3.440 -9.190 -17.724 154 3HD1 LEU 20 2HD1 LEU 20 5.123 -8.928 -17.260 155 1HD2 LEU 20 3HD2 LEU 20 3.463 -11.071 -20.081 156 2HD2 LEU 20 2HD2 LEU 20 3.644 -12.422 -18.962 157 3HD2 LEU 20 1HD2 LEU 20 2.681 -11.017 -18.501 158 H PHE 21 H PHE 21 4.324 -13.722 -21.092 159 HA PHE 21 HA PHE 21 4.128 -12.433 -23.750 160 1HB PHE 21 2HB PHE 21 3.108 -15.035 -22.595 161 2HB PHE 21 1HB PHE 21 2.574 -14.445 -24.170 162 HD1 PHE 21 HD1 PHE 21 5.493 -15.585 -22.197 163 HD2 PHE 21 HD2 PHE 21 4.058 -14.430 -26.078 164 HE1 PHE 21 HE1 PHE 21 7.576 -16.452 -23.225 165 HE2 PHE 21 HE2 PHE 21 6.143 -15.296 -27.106 166 HZ PHE 21 HZ PHE 21 7.901 -16.308 -25.680 167 H CYS 22 H CYS 22 3.138 -10.642 -22.081 168 HA CYS 22 HA CYS 22 0.488 -10.905 -21.148 169 1HB CYS 22 2HB CYS 22 0.409 -8.355 -21.552 170 2HB CYS 22 1HB CYS 22 1.648 -8.965 -20.457 171 HA PRO 23 HA PRO 23 -1.420 -11.098 -25.247 172 1HB PRO 23 2HB PRO 23 -3.478 -12.659 -24.479 173 2HB PRO 23 1HB PRO 23 -1.873 -13.298 -24.830 174 1HG PRO 23 2HG PRO 23 -3.243 -13.010 -22.252 175 2HG PRO 23 1HG PRO 23 -1.878 -14.038 -22.681 176 1HD PRO 23 1HD PRO 23 -1.836 -11.522 -21.292 177 2HD PRO 23 2HD PRO 23 -0.475 -12.570 -21.686 178 H GLN 24 H GLN 24 -3.918 -11.327 -22.739 179 HA GLN 24 HA GLN 24 -4.881 -8.608 -23.506 180 1HB GLN 24 2HB GLN 24 -6.514 -11.157 -23.347 181 2HB GLN 24 1HB GLN 24 -7.226 -9.544 -23.407 182 1HG GLN 24 2HG GLN 24 -6.049 -9.124 -25.551 183 2HG GLN 24 1HG GLN 24 -5.391 -10.759 -25.497 184 1HE2 GLN 24 1HE2 GLN 24 -7.018 -10.065 -27.678 185 2HE2 GLN 24 2HE2 GLN 24 -8.514 -10.859 -27.552 186 H ASP 25 H ASP 25 -5.710 -7.432 -21.773 187 HA ASP 25 HA ASP 25 -5.285 -8.622 -19.101 188 1HB ASP 25 2HB ASP 25 -4.434 -6.331 -19.651 189 2HB ASP 25 1HB ASP 25 -6.104 -5.797 -19.839 190 H LYS 26 H LYS 26 -7.018 -9.848 -18.450 191 HA LYS 26 HA LYS 26 -9.708 -9.520 -19.274 192 1HB LYS 26 2HB LYS 26 -8.647 -10.642 -16.662 193 2HB LYS 26 1HB LYS 26 -10.286 -10.869 -17.271 194 1HG LYS 26 2HG LYS 26 -9.364 -11.963 -19.298 195 2HG LYS 26 1HG LYS 26 -7.736 -11.771 -18.646 196 1HD LYS 26 2HD LYS 26 -8.419 -13.112 -16.653 197 2HD LYS 26 1HD LYS 26 -9.995 -13.370 -17.402 198 1HE LYS 26 2HE LYS 26 -9.130 -15.134 -18.503 199 2HE LYS 26 1HE LYS 26 -8.067 -14.024 -19.368 200 1HZ LYS 26 3HZ LYS 26 -7.028 -14.390 -16.805 201 2HZ LYS 26 2HZ LYS 26 -7.388 -15.930 -17.427 202 3HZ LYS 26 1HZ LYS 26 -6.359 -14.883 -18.283 203 H LYS 27 H LYS 27 -7.913 -8.046 -16.617 204 HA LYS 27 HA LYS 27 -10.265 -6.254 -16.158 205 1HB LYS 27 2HB LYS 27 -10.074 -7.651 -14.209 206 2HB LYS 27 1HB LYS 27 -8.325 -7.432 -14.151 207 1HG LYS 27 2HG LYS 27 -8.679 -4.998 -13.743 208 2HG LYS 27 1HG LYS 27 -10.420 -5.282 -13.709 209 1HD LYS 27 2HD LYS 27 -10.350 -6.213 -11.630 210 2HD LYS 27 1HD LYS 27 -8.839 -7.061 -11.956 211 1HE LYS 27 2HE LYS 27 -7.924 -5.514 -10.561 212 2HE LYS 27 1HE LYS 27 -8.009 -4.448 -11.963 213 1HZ LYS 27 3HZ LYS 27 -10.301 -3.862 -11.198 214 2HZ LYS 27 2HZ LYS 27 -9.970 -4.694 -9.754 215 3HZ LYS 27 1HZ LYS 27 -9.051 -3.330 -10.182 216 HA PRO 28 HA PRO 28 -6.939 -3.469 -17.572 217 1HB PRO 28 2HB PRO 28 -8.605 -1.412 -18.126 218 2HB PRO 28 1HB PRO 28 -8.342 -2.764 -19.231 219 1HG PRO 28 2HG PRO 28 -10.589 -2.297 -17.306 220 2HG PRO 28 1HG PRO 28 -10.658 -2.872 -18.974 221 1HD PRO 28 1HD PRO 28 -10.840 -4.560 -16.875 222 2HD PRO 28 2HD PRO 28 -10.069 -5.033 -18.389 223 H ILE 29 H ILE 29 -5.758 -2.323 -16.130 224 HA ILE 29 HA ILE 29 -7.214 -0.735 -14.055 225 HB ILE 29 HB ILE 29 -6.092 -2.857 -13.198 226 1HG1 ILE 29 2HG1 ILE 29 -6.590 -0.760 -11.840 227 2HG1 ILE 29 1HG1 ILE 29 -5.311 -1.793 -11.205 228 1HG2 ILE 29 1HG2 ILE 29 -4.112 -2.695 -14.709 229 2HG2 ILE 29 3HG2 ILE 29 -3.578 -1.275 -13.811 230 3HG2 ILE 29 2HG2 ILE 29 -3.657 -2.845 -13.012 231 1HD1 ILE 29 2HD1 ILE 29 -4.016 -0.037 -12.981 232 2HD1 ILE 29 1HD1 ILE 29 -5.162 0.965 -12.095 233 3HD1 ILE 29 3HD1 ILE 29 -3.963 0.014 -11.220 234 H GLN 30 H GLN 30 -6.253 1.304 -13.559 235 HA GLN 30 HA GLN 30 -4.577 2.386 -15.702 236 1HB GLN 30 2HB GLN 30 -5.584 3.634 -13.122 237 2HB GLN 30 1HB GLN 30 -4.754 4.509 -14.409 238 1HG GLN 30 2HG GLN 30 -6.541 3.866 -15.993 239 2HG GLN 30 1HG GLN 30 -7.374 3.004 -14.699 240 1HE2 GLN 30 1HE2 GLN 30 -8.532 5.267 -16.118 241 2HE2 GLN 30 2HE2 GLN 30 -8.730 6.525 -14.995 242 H SER 31 H SER 31 -2.437 2.052 -15.674 243 HA SER 31 HA SER 31 -1.047 1.257 -13.239 244 1HB SER 31 2HB SER 31 0.639 0.599 -14.642 245 2HB SER 31 1HB SER 31 -0.652 0.686 -15.842 246 HG SER 31 HG SER 31 0.026 2.930 -16.125 247 H LEU 32 H LEU 32 1.113 2.374 -12.747 248 HA LEU 32 HA LEU 32 0.658 5.327 -12.721 249 1HB LEU 32 2HB LEU 32 2.481 5.005 -10.776 250 2HB LEU 32 1HB LEU 32 0.753 4.825 -10.473 251 HG LEU 32 HG LEU 32 0.962 2.378 -10.879 252 1HD1 LEU 32 2HD1 LEU 32 2.937 2.495 -12.375 253 2HD1 LEU 32 1HD1 LEU 32 3.932 2.984 -11.004 254 3HD1 LEU 32 3HD1 LEU 32 3.202 1.379 -11.036 255 1HD2 LEU 32 2HD2 LEU 32 2.653 3.701 -8.763 256 2HD2 LEU 32 1HD2 LEU 32 1.069 2.944 -8.591 257 3HD2 LEU 32 3HD2 LEU 32 2.502 1.944 -8.839 258 H ASP 33 H ASP 33 2.459 3.024 -14.270 259 HA ASP 33 HA ASP 33 5.038 4.418 -14.231 260 1HB ASP 33 2HB ASP 33 3.939 2.053 -15.753 261 2HB ASP 33 1HB ASP 33 5.517 2.744 -16.132 262 H GLY 34 H GLY 34 2.219 5.347 -15.476 263 1HA GLY 34 1HA GLY 34 3.522 6.838 -17.668 264 2HA GLY 34 2HA GLY 34 1.913 7.152 -17.018 265 H ILE 35 H ILE 35 1.971 3.910 -17.348 266 HA ILE 35 HA ILE 35 1.233 3.939 -20.238 267 HB ILE 35 HB ILE 35 1.774 1.585 -18.405 268 1HG1 ILE 35 2HG1 ILE 35 3.540 2.686 -20.601 269 2HG1 ILE 35 1HG1 ILE 35 3.738 3.130 -18.906 270 1HG2 ILE 35 1HG2 ILE 35 1.417 1.798 -21.408 271 2HG2 ILE 35 3HG2 ILE 35 1.897 0.334 -20.549 272 3HG2 ILE 35 2HG2 ILE 35 0.300 1.030 -20.279 273 1HD1 ILE 35 3HD1 ILE 35 3.520 0.223 -19.460 274 2HD1 ILE 35 2HD1 ILE 35 4.990 1.005 -20.041 275 3HD1 ILE 35 1HD1 ILE 35 4.570 1.077 -18.330 276 H MET 36 H MET 36 -0.693 2.539 -20.800 277 HA MET 36 HA MET 36 -2.820 2.953 -18.751 278 1HB MET 36 2HB MET 36 -2.964 2.558 -21.754 279 2HB MET 36 1HB MET 36 -4.376 2.669 -20.704 280 1HG MET 36 2HG MET 36 -3.524 4.898 -19.910 281 2HG MET 36 1HG MET 36 -2.259 4.793 -21.135 282 1HE MET 36 2HE MET 36 -3.765 3.173 -23.352 283 2HE MET 36 1HE MET 36 -4.314 4.459 -24.423 284 3HE MET 36 3HE MET 36 -2.705 4.538 -23.692 285 H PHE 37 H PHE 37 -2.805 1.096 -17.520 286 HA PHE 37 HA PHE 37 -3.206 -1.138 -16.967 287 1HB PHE 37 2HB PHE 37 -4.052 -1.910 -19.699 288 2HB PHE 37 1HB PHE 37 -4.825 -2.222 -18.148 289 HD1 PHE 37 HD1 PHE 37 -6.078 -0.349 -17.002 290 HD2 PHE 37 HD2 PHE 37 -4.737 -0.083 -21.064 291 HE1 PHE 37 HE1 PHE 37 -7.641 1.526 -17.383 292 HE2 PHE 37 HE2 PHE 37 -6.305 1.787 -21.458 293 HZ PHE 37 HZ PHE 37 -7.763 2.597 -19.620 294 H ILE 38 H ILE 38 -2.130 -1.165 -20.365 295 HA ILE 38 HA ILE 38 -0.759 -3.527 -20.505 296 HB ILE 38 HB ILE 38 0.262 -0.856 -21.513 297 1HG1 ILE 38 2HG1 ILE 38 -1.413 -2.993 -22.868 298 2HG1 ILE 38 1HG1 ILE 38 -2.041 -1.466 -22.246 299 1HG2 ILE 38 3HG2 ILE 38 1.945 -2.738 -21.470 300 2HG2 ILE 38 2HG2 ILE 38 0.865 -3.648 -22.527 301 3HG2 ILE 38 1HG2 ILE 38 1.578 -2.135 -23.086 302 1HD1 ILE 38 1HD1 ILE 38 -0.470 -0.248 -23.754 303 2HD1 ILE 38 3HD1 ILE 38 0.049 -1.797 -24.421 304 3HD1 ILE 38 2HD1 ILE 38 -1.614 -1.254 -24.644 305 H ASN 39 H ASN 39 0.209 -0.759 -18.576 306 HA ASN 39 HA ASN 39 2.909 -1.161 -18.140 307 1HB ASN 39 2HB ASN 39 1.370 0.506 -16.960 308 2HB ASN 39 1HB ASN 39 0.992 -0.794 -15.832 309 1HD2 ASN 39 1HD2 ASN 39 2.167 -0.210 -13.959 310 2HD2 ASN 39 2HD2 ASN 39 3.832 0.115 -13.947 311 H LYS 40 H LYS 40 0.257 -3.039 -16.662 312 HA LYS 40 HA LYS 40 1.629 -4.648 -14.892 313 1HB LYS 40 2HB LYS 40 -0.544 -5.408 -16.854 314 2HB LYS 40 1HB LYS 40 0.052 -6.521 -15.623 315 1HG LYS 40 2HG LYS 40 -0.413 -4.562 -13.965 316 2HG LYS 40 1HG LYS 40 -1.428 -3.923 -15.259 317 1HD LYS 40 2HD LYS 40 -2.587 -6.170 -15.336 318 2HD LYS 40 1HD LYS 40 -1.688 -6.613 -13.885 319 1HE LYS 40 2HE LYS 40 -2.638 -4.416 -12.882 320 2HE LYS 40 1HE LYS 40 -3.790 -4.475 -14.216 321 1HZ LYS 40 1HZ LYS 40 -3.331 -6.773 -12.406 322 2HZ LYS 40 3HZ LYS 40 -4.496 -5.583 -12.085 323 3HZ LYS 40 2HZ LYS 40 -4.618 -6.532 -13.489 324 H CYS 41 H CYS 41 1.634 -4.927 -18.417 325 HA CYS 41 HA CYS 41 3.177 -7.368 -18.478 326 1HB CYS 41 2HB CYS 41 1.813 -6.473 -20.399 327 2HB CYS 41 1HB CYS 41 3.031 -5.218 -20.606 328 H ALA 42 H ALA 42 4.102 -4.007 -19.248 329 HA ALA 42 HA ALA 42 6.905 -4.497 -19.323 330 1HB ALA 42 3HB ALA 42 7.158 -2.077 -19.143 331 2HB ALA 42 1HB ALA 42 5.502 -1.924 -18.555 332 3HB ALA 42 2HB ALA 42 5.805 -2.447 -20.212 333 H THR 43 H THR 43 4.724 -4.075 -16.615 334 HA THR 43 HA THR 43 6.988 -3.605 -14.766 335 HB THR 43 HB THR 43 5.034 -3.746 -13.049 336 HG1 THR 43 HG1 THR 43 3.248 -2.930 -14.864 337 1HG2 THR 43 1HG2 THR 43 6.233 -1.680 -14.063 338 2HG2 THR 43 3HG2 THR 43 4.785 -1.510 -15.055 339 3HG2 THR 43 2HG2 THR 43 4.664 -1.433 -13.297 340 H CYS 44 H CYS 44 4.325 -5.991 -15.047 341 HA CYS 44 HA CYS 44 5.230 -7.831 -13.150 342 1HB CYS 44 2HB CYS 44 3.088 -8.013 -14.426 343 2HB CYS 44 1HB CYS 44 4.006 -8.525 -15.837 344 H LYS 45 H LYS 45 6.315 -7.420 -16.510 345 HA LYS 45 HA LYS 45 7.947 -9.735 -16.685 346 1HB LYS 45 2HB LYS 45 7.405 -8.118 -18.563 347 2HB LYS 45 1HB LYS 45 8.619 -7.034 -17.883 348 1HG LYS 45 2HG LYS 45 10.320 -8.825 -18.101 349 2HG LYS 45 1HG LYS 45 9.103 -9.880 -18.818 350 1HD LYS 45 2HD LYS 45 8.789 -8.272 -20.662 351 2HD LYS 45 1HD LYS 45 9.997 -7.207 -19.942 352 1HE LYS 45 2HE LYS 45 11.463 -8.330 -21.272 353 2HE LYS 45 1HE LYS 45 11.356 -9.587 -20.040 354 1HZ LYS 45 3HZ LYS 45 9.462 -10.519 -21.311 355 2HZ LYS 45 2HZ LYS 45 9.775 -9.393 -22.543 356 3HZ LYS 45 1HZ LYS 45 10.935 -10.571 -22.150 357 H MET 46 H MET 46 8.810 -6.438 -15.598 358 HA MET 46 HA MET 46 11.504 -7.120 -14.870 359 1HB MET 46 2HB MET 46 9.673 -4.906 -13.898 360 2HB MET 46 1HB MET 46 11.390 -5.011 -13.509 361 1HG MET 46 2HG MET 46 11.878 -5.038 -15.975 362 2HG MET 46 1HG MET 46 10.164 -4.744 -16.269 363 1HE MET 46 3HE MET 46 8.969 -3.306 -14.713 364 2HE MET 46 2HE MET 46 9.764 -2.304 -13.500 365 3HE MET 46 1HE MET 46 9.214 -1.579 -15.009 366 H ILE 47 H ILE 47 8.421 -7.258 -13.153 367 HA ILE 47 HA ILE 47 9.598 -7.811 -10.561 368 HB ILE 47 HB ILE 47 6.810 -8.459 -11.567 369 1HG1 ILE 47 1HG1 ILE 47 7.195 -6.098 -11.867 370 2HG1 ILE 47 2HG1 ILE 47 6.246 -6.286 -10.392 371 1HG2 ILE 47 2HG2 ILE 47 8.208 -8.753 -9.006 372 2HG2 ILE 47 1HG2 ILE 47 6.710 -7.833 -8.872 373 3HG2 ILE 47 3HG2 ILE 47 6.685 -9.464 -9.540 374 1HD1 ILE 47 1HD1 ILE 47 8.406 -6.232 -9.092 375 2HD1 ILE 47 3HD1 ILE 47 9.237 -5.831 -10.595 376 3HD1 ILE 47 2HD1 ILE 47 8.036 -4.724 -9.928 377 H LEU 48 H LEU 48 8.585 -9.760 -13.313 378 HA LEU 48 HA LEU 48 8.692 -12.297 -11.922 379 1HB LEU 48 2HB LEU 48 8.821 -11.555 -14.857 380 2HB LEU 48 1HB LEU 48 8.842 -13.224 -14.286 381 HG LEU 48 HG LEU 48 6.670 -11.202 -13.671 382 1HD1 LEU 48 3HD1 LEU 48 7.083 -12.467 -16.062 383 2HD1 LEU 48 2HD1 LEU 48 6.051 -13.627 -15.226 384 3HD1 LEU 48 1HD1 LEU 48 5.501 -11.968 -15.463 385 1HD2 LEU 48 2HD2 LEU 48 7.424 -13.638 -12.407 386 2HD2 LEU 48 1HD2 LEU 48 5.994 -12.656 -12.092 387 3HD2 LEU 48 3HD2 LEU 48 5.931 -13.946 -13.292 388 H GLU 49 H GLU 49 11.039 -10.275 -13.584 389 HA GLU 49 HA GLU 49 13.108 -12.251 -13.833 390 1HB GLU 49 2HB GLU 49 13.242 -9.230 -13.607 391 2HB GLU 49 1HB GLU 49 14.629 -10.252 -13.987 392 1HG GLU 49 2HG GLU 49 13.437 -11.126 -15.969 393 2HG GLU 49 1HG GLU 49 12.057 -10.095 -15.591 394 H LYS 50 H LYS 50 12.127 -10.096 -11.215 395 HA LYS 50 HA LYS 50 14.390 -10.321 -9.539 396 1HB LYS 50 2HB LYS 50 12.416 -8.846 -9.104 397 2HB LYS 50 1HB LYS 50 11.490 -10.277 -8.653 398 1HG LYS 50 2HG LYS 50 13.160 -10.773 -6.882 399 2HG LYS 50 1HG LYS 50 14.029 -9.300 -7.311 400 1HD LYS 50 2HD LYS 50 11.928 -8.003 -6.840 401 2HD LYS 50 1HD LYS 50 11.196 -9.495 -6.250 402 1HE LYS 50 2HE LYS 50 12.091 -9.008 -4.235 403 2HE LYS 50 1HE LYS 50 13.665 -9.371 -4.943 404 1HZ LYS 50 3HZ LYS 50 12.387 -6.708 -5.158 405 2HZ LYS 50 2HZ LYS 50 13.432 -7.123 -3.885 406 3HZ LYS 50 1HZ LYS 50 13.999 -7.119 -5.486 407 H GLU 51 H GLU 51 11.707 -12.567 -10.067 408 HA GLU 51 HA GLU 51 12.288 -14.355 -7.918 409 1HB GLU 51 2HB GLU 51 11.072 -14.910 -10.641 410 2HB GLU 51 1HB GLU 51 11.054 -16.038 -9.286 411 1HG GLU 51 2HG GLU 51 9.855 -13.250 -9.256 412 2HG GLU 51 1HG GLU 51 8.940 -14.748 -9.428 413 H ALA 52 H ALA 52 13.657 -14.017 -11.151 414 HA ALA 52 HA ALA 52 15.078 -16.497 -11.225 415 1HB ALA 52 2HB ALA 52 15.922 -15.707 -13.188 416 2HB ALA 52 3HB ALA 52 16.420 -14.177 -12.466 417 3HB ALA 52 1HB ALA 52 14.746 -14.411 -12.967 418 H LYS 53 H LYS 53 15.721 -13.456 -9.610 419 HA LYS 53 HA LYS 53 18.511 -13.796 -9.128 420 1HB LYS 53 2HB LYS 53 16.391 -12.426 -7.446 421 2HB LYS 53 1HB LYS 53 18.129 -12.269 -7.187 422 1HG LYS 53 2HG LYS 53 18.360 -11.409 -9.518 423 2HG LYS 53 1HG LYS 53 16.607 -11.480 -9.690 424 1HD LYS 53 2HD LYS 53 16.398 -9.944 -7.728 425 2HD LYS 53 1HD LYS 53 18.156 -9.810 -7.686 426 1HE LYS 53 2HE LYS 53 18.239 -8.684 -9.756 427 2HE LYS 53 1HE LYS 53 16.625 -9.225 -10.217 428 1HZ LYS 53 3HZ LYS 53 17.168 -7.399 -7.943 429 2HZ LYS 53 2HZ LYS 53 16.747 -6.868 -9.501 430 3HZ LYS 53 1HZ LYS 53 15.656 -7.803 -8.595 431 H SER 54 H SER 54 15.671 -15.169 -7.573 432 HA SER 54 HA SER 54 16.894 -16.108 -5.181 433 1HB SER 54 2HB SER 54 14.704 -17.481 -6.768 434 2HB SER 54 1HB SER 54 15.041 -17.680 -5.049 435 HG SER 54 HG SER 54 14.514 -15.506 -4.745 436 H GLN 55 H GLN 55 17.019 -17.292 -8.476 437 HA GLN 55 HA GLN 55 18.859 -19.451 -7.532 438 1HB GLN 55 2HB GLN 55 16.777 -19.616 -9.732 439 2HB GLN 55 1HB GLN 55 18.002 -20.848 -9.426 440 1HG GLN 55 2HG GLN 55 17.129 -21.155 -7.141 441 2HG GLN 55 1HG GLN 55 15.912 -19.913 -7.434 442 1HE2 GLN 55 1HE2 GLN 55 15.124 -22.574 -6.779 443 2HE2 GLN 55 2HE2 GLN 55 14.394 -23.277 -8.141 No H/Q in entry = 443 Start of MODEL 19 1 H1 LYS 1 1H LYS 1 18.324 -7.606 8.724 2 H2 LYS 1 3H LYS 1 18.278 -8.010 10.371 3 H3 LYS 1 2H LYS 1 18.660 -6.424 9.897 4 HA LYS 1 HA LYS 1 20.764 -7.115 10.230 5 1HB LYS 1 2HB LYS 1 19.968 -9.313 11.102 6 2HB LYS 1 1HB LYS 1 19.881 -9.909 9.444 7 1HG LYS 1 2HG LYS 1 22.307 -9.424 9.172 8 2HG LYS 1 1HG LYS 1 22.374 -8.913 10.859 9 1HD LYS 1 2HD LYS 1 21.525 -11.186 11.513 10 2HD LYS 1 1HD LYS 1 21.664 -11.673 9.824 11 1HE LYS 1 2HE LYS 1 24.066 -11.206 9.855 12 2HE LYS 1 1HE LYS 1 23.952 -10.613 11.512 13 1HZ LYS 1 1HZ LYS 1 22.945 -12.922 11.970 14 2HZ LYS 1 3HZ LYS 1 23.677 -13.369 10.507 15 3HZ LYS 1 2HZ LYS 1 24.629 -12.785 11.788 16 H ASN 2 H ASN 2 19.724 -9.331 7.625 17 HA ASN 2 HA ASN 2 21.849 -8.616 5.872 18 1HB ASN 2 2HB ASN 2 19.102 -9.731 5.228 19 2HB ASN 2 1HB ASN 2 20.455 -9.677 4.098 20 1HD2 ASN 2 1HD2 ASN 2 19.304 -12.175 4.895 21 2HD2 ASN 2 2HD2 ASN 2 20.442 -13.018 5.831 22 H GLU 3 H GLU 3 18.739 -7.129 6.482 23 HA GLU 3 HA GLU 3 18.619 -5.534 4.090 24 1HB GLU 3 2HB GLU 3 17.433 -5.071 6.844 25 2HB GLU 3 1HB GLU 3 17.027 -4.128 5.410 26 1HG GLU 3 2HG GLU 3 16.287 -6.213 4.276 27 2HG GLU 3 1HG GLU 3 16.640 -7.119 5.747 28 H ASP 4 H ASP 4 20.268 -5.167 7.170 29 HA ASP 4 HA ASP 4 20.854 -2.393 7.057 30 1HB ASP 4 2HB ASP 4 22.576 -4.651 8.131 31 2HB ASP 4 1HB ASP 4 22.792 -2.940 8.499 32 H GLN 5 H GLN 5 22.225 -5.114 5.318 33 HA GLN 5 HA GLN 5 24.618 -3.847 4.397 34 1HB GLN 5 2HB GLN 5 22.900 -6.006 3.136 35 2HB GLN 5 1HB GLN 5 24.486 -5.529 2.530 36 1HG GLN 5 2HG GLN 5 25.493 -6.103 4.711 37 2HG GLN 5 1HG GLN 5 23.907 -6.580 5.318 38 1HE2 GLN 5 1HE2 GLN 5 25.961 -8.506 5.268 39 2HE2 GLN 5 2HE2 GLN 5 25.631 -9.656 4.064 40 H GLU 6 H GLU 6 21.297 -3.870 3.137 41 HA GLU 6 HA GLU 6 21.822 -2.554 0.668 42 1HB GLU 6 2HB GLU 6 19.373 -2.455 2.456 43 2HB GLU 6 1HB GLU 6 19.424 -1.837 0.805 44 1HG GLU 6 2HG GLU 6 19.952 -4.704 1.650 45 2HG GLU 6 1HG GLU 6 18.505 -4.116 0.830 46 H MET 7 H MET 7 20.941 -1.192 3.858 47 HA MET 7 HA MET 7 20.996 1.543 3.078 48 1HB MET 7 2HB MET 7 21.588 0.206 5.731 49 2HB MET 7 1HB MET 7 21.505 1.956 5.531 50 1HG MET 7 2HG MET 7 19.207 1.859 4.863 51 2HG MET 7 1HG MET 7 19.263 0.105 4.694 52 1HE MET 7 1HE MET 7 17.066 1.040 5.851 53 2HE MET 7 3HE MET 7 17.216 -0.573 6.560 54 3HE MET 7 2HE MET 7 16.830 0.809 7.581 55 H CYS 8 H CYS 8 23.568 -0.704 3.883 56 HA CYS 8 HA CYS 8 25.653 1.239 4.245 57 1HB CYS 8 2HB CYS 8 25.901 -1.608 3.231 58 2HB CYS 8 1HB CYS 8 27.181 -0.637 3.961 59 H HIS 9 H HIS 9 24.553 -0.604 1.398 60 HA HIS 9 HA HIS 9 26.416 0.099 -0.513 61 1HB HIS 9 2HB HIS 9 24.554 -1.244 -1.187 62 2HB HIS 9 1HB HIS 9 23.398 0.004 -0.723 63 HD1 HIS 9 HD1 HIS 9 23.711 2.352 -2.144 64 HD2 HIS 9 HD2 HIS 9 25.251 -1.120 -3.862 65 HE1 HIS 9 HE1 HIS 9 24.040 2.856 -4.602 66 H GLU 10 H GLU 10 23.576 2.118 0.339 67 HA GLU 10 HA GLU 10 24.476 4.373 -1.208 68 1HB GLU 10 2HB GLU 10 22.109 4.032 -0.489 69 2HB GLU 10 1HB GLU 10 22.599 4.362 1.173 70 1HG GLU 10 2HG GLU 10 23.530 6.576 0.330 71 2HG GLU 10 1HG GLU 10 22.711 6.245 -1.195 72 H PHE 11 H PHE 11 25.045 3.318 2.111 73 HA PHE 11 HA PHE 11 26.237 5.849 2.920 74 1HB PHE 11 2HB PHE 11 25.704 3.239 4.163 75 2HB PHE 11 1HB PHE 11 27.231 3.956 4.676 76 HD1 PHE 11 HD1 PHE 11 24.494 6.096 3.510 77 HD2 PHE 11 HD2 PHE 11 26.350 4.360 6.985 78 HE1 PHE 11 HE1 PHE 11 23.273 7.687 4.963 79 HE2 PHE 11 HE2 PHE 11 25.131 5.953 8.417 80 HZ PHE 11 HZ PHE 11 23.591 7.617 7.419 81 H GLN 12 H GLN 12 27.251 3.641 0.722 82 HA GLN 12 HA GLN 12 30.080 3.525 1.490 83 1HB GLN 12 2HB GLN 12 28.572 2.734 -1.020 84 2HB GLN 12 1HB GLN 12 30.320 2.575 -0.860 85 1HG GLN 12 2HG GLN 12 30.066 1.070 1.027 86 2HG GLN 12 1HG GLN 12 28.324 1.335 1.055 87 1HE2 GLN 12 1HE2 GLN 12 29.537 -1.282 0.689 88 2HE2 GLN 12 2HE2 GLN 12 29.126 -1.822 -0.866 89 H ALA 13 H ALA 13 28.044 5.307 -0.818 90 HA ALA 13 HA ALA 13 30.204 6.763 -2.044 91 1HB ALA 13 2HB ALA 13 27.251 6.903 -2.004 92 2HB ALA 13 1HB ALA 13 28.059 8.446 -2.276 93 3HB ALA 13 3HB ALA 13 28.367 7.087 -3.357 94 H PHE 14 H PHE 14 28.073 7.411 0.726 95 HA PHE 14 HA PHE 14 29.006 10.050 1.294 96 1HB PHE 14 2HB PHE 14 27.858 7.860 3.041 97 2HB PHE 14 1HB PHE 14 28.305 9.437 3.691 98 HD1 PHE 14 HD1 PHE 14 27.219 11.516 2.759 99 HD2 PHE 14 HD2 PHE 14 25.849 7.561 1.790 100 HE1 PHE 14 HE1 PHE 14 25.061 12.455 1.978 101 HE2 PHE 14 HE2 PHE 14 23.690 8.501 1.010 102 HZ PHE 14 HZ PHE 14 23.297 10.947 1.103 103 H MET 15 H MET 15 30.536 7.005 1.498 104 HA MET 15 HA MET 15 32.409 7.700 3.626 105 1HB MET 15 2HB MET 15 31.607 5.335 2.771 106 2HB MET 15 1HB MET 15 32.922 5.533 1.612 107 1HG MET 15 2HG MET 15 33.269 5.873 4.600 108 2HG MET 15 1HG MET 15 33.575 4.356 3.756 109 1HE MET 15 1HE MET 15 34.780 4.145 1.760 110 2HE MET 15 3HE MET 15 35.003 5.635 0.833 111 3HE MET 15 2HE MET 15 36.398 4.798 1.510 112 H LYS 16 H LYS 16 34.419 8.633 3.359 113 HA LYS 16 HA LYS 16 35.515 8.881 0.607 114 1HB LYS 16 2HB LYS 16 34.123 10.930 1.181 115 2HB LYS 16 1HB LYS 16 35.291 11.266 2.459 116 1HG LYS 16 2HG LYS 16 37.106 11.307 0.771 117 2HG LYS 16 1HG LYS 16 35.919 11.009 -0.499 118 1HD LYS 16 2HD LYS 16 34.746 13.102 0.123 119 2HD LYS 16 1HD LYS 16 35.963 13.405 1.363 120 1HE LYS 16 2HE LYS 16 37.647 13.117 -0.648 121 2HE LYS 16 1HE LYS 16 36.232 13.511 -1.624 122 1HZ LYS 16 3HZ LYS 16 36.260 15.298 0.490 123 2HZ LYS 16 2HZ LYS 16 37.858 15.231 -0.083 124 3HZ LYS 16 1HZ LYS 16 36.590 15.628 -1.141 125 H ASN 17 H ASN 17 37.719 8.654 0.597 126 HA ASN 17 HA ASN 17 39.873 8.245 1.432 127 1HB ASN 17 2HB ASN 17 38.965 10.232 3.538 128 2HB ASN 17 1HB ASN 17 40.635 9.761 3.222 129 1HD2 ASN 17 1HD2 ASN 17 38.937 12.388 2.788 130 2HD2 ASN 17 2HD2 ASN 17 39.366 12.850 1.212 131 H GLY 18 H GLY 18 37.691 6.504 2.302 132 1HA GLY 18 1HA GLY 18 39.068 5.199 4.511 133 2HA GLY 18 2HA GLY 18 37.583 4.638 3.743 134 H LYS 19 H LYS 19 36.924 7.756 4.383 135 HA LYS 19 HA LYS 19 36.144 7.289 7.222 136 1HB LYS 19 2HB LYS 19 37.456 9.356 6.624 137 2HB LYS 19 1HB LYS 19 36.085 9.877 5.646 138 1HG LYS 19 2HG LYS 19 34.879 9.224 8.037 139 2HG LYS 19 1HG LYS 19 36.419 9.898 8.569 140 1HD LYS 19 2HD LYS 19 34.911 11.348 6.429 141 2HD LYS 19 1HD LYS 19 34.326 11.472 8.088 142 1HE LYS 19 2HE LYS 19 36.145 12.679 8.779 143 2HE LYS 19 1HE LYS 19 37.252 11.813 7.713 144 1HZ LYS 19 1HZ LYS 19 35.278 13.418 6.350 145 2HZ LYS 19 3HZ LYS 19 36.370 14.314 7.290 146 3HZ LYS 19 2HZ LYS 19 36.948 13.279 6.072 147 H LEU 20 H LEU 20 33.970 7.352 7.819 148 HA LEU 20 HA LEU 20 32.024 7.309 5.563 149 1HB LEU 20 2HB LEU 20 31.840 5.318 6.835 150 2HB LEU 20 1HB LEU 20 32.008 6.176 8.363 151 HG LEU 20 HG LEU 20 29.778 7.354 7.698 152 1HD1 LEU 20 1HD1 LEU 20 29.698 4.883 5.944 153 2HD1 LEU 20 3HD1 LEU 20 28.333 5.957 6.264 154 3HD1 LEU 20 2HD1 LEU 20 29.733 6.551 5.363 155 1HD2 LEU 20 1HD2 LEU 20 30.183 4.537 8.619 156 2HD2 LEU 20 3HD2 LEU 20 29.601 5.933 9.527 157 3HD2 LEU 20 2HD2 LEU 20 28.544 5.128 8.364 158 H PHE 21 H PHE 21 30.762 9.079 5.292 159 HA PHE 21 HA PHE 21 30.714 11.150 7.392 160 1HB PHE 21 2HB PHE 21 29.653 11.044 4.557 161 2HB PHE 21 1HB PHE 21 29.397 12.421 5.629 162 HD1 PHE 21 HD1 PHE 21 32.266 10.161 4.724 163 HD2 PHE 21 HD2 PHE 21 30.877 14.184 5.307 164 HE1 PHE 21 HE1 PHE 21 34.520 11.022 4.153 165 HE2 PHE 21 HE2 PHE 21 33.131 15.045 4.736 166 HZ PHE 21 HZ PHE 21 34.953 13.464 4.159 167 H CYS 22 H CYS 22 29.163 11.041 8.938 168 HA CYS 22 HA CYS 22 26.591 9.684 8.269 169 1HB CYS 22 2HB CYS 22 27.690 10.398 11.003 170 2HB CYS 22 1HB CYS 22 26.299 9.371 10.657 171 HA PRO 23 HA PRO 23 25.498 14.204 8.380 172 1HB PRO 23 2HB PRO 23 23.691 14.050 6.379 173 2HB PRO 23 1HB PRO 23 25.417 14.282 6.095 174 1HG PRO 23 2HG PRO 23 23.785 11.779 5.926 175 2HG PRO 23 1HG PRO 23 25.052 12.356 4.839 176 1HD PRO 23 2HD PRO 23 25.501 10.447 6.711 177 2HD PRO 23 1HD PRO 23 26.748 11.585 6.200 178 H GLN 24 H GLN 24 23.409 15.165 8.944 179 HA GLN 24 HA GLN 24 21.866 13.594 10.762 180 1HB GLN 24 2HB GLN 24 21.307 16.241 9.401 181 2HB GLN 24 1HB GLN 24 20.243 15.545 10.623 182 1HG GLN 24 2HG GLN 24 22.180 15.456 12.198 183 2HG GLN 24 1HG GLN 24 23.169 16.263 10.981 184 1HE2 GLN 24 1HE2 GLN 24 22.810 17.571 13.432 185 2HE2 GLN 24 2HE2 GLN 24 21.781 18.905 13.228 186 H ASP 25 H ASP 25 20.721 11.848 10.023 187 HA ASP 25 HA ASP 25 19.341 12.005 7.412 188 1HB ASP 25 2HB ASP 25 20.603 9.952 8.047 189 2HB ASP 25 1HB ASP 25 19.493 9.717 9.398 190 H LYS 26 H LYS 26 17.271 12.720 7.331 191 HA LYS 26 HA LYS 26 15.705 13.306 9.645 192 1HB LYS 26 2HB LYS 26 14.863 12.889 6.761 193 2HB LYS 26 1HB LYS 26 13.817 13.549 8.018 194 1HG LYS 26 2HG LYS 26 15.491 15.365 8.398 195 2HG LYS 26 1HG LYS 26 16.435 14.734 7.047 196 1HD LYS 26 2HD LYS 26 14.437 15.042 5.572 197 2HD LYS 26 1HD LYS 26 13.595 15.793 6.927 198 1HE LYS 26 2HE LYS 26 16.124 17.064 6.738 199 2HE LYS 26 1HE LYS 26 15.476 16.982 5.100 200 1HZ LYS 26 3HZ LYS 26 13.376 17.670 6.785 201 2HZ LYS 26 2HZ LYS 26 14.689 18.658 7.219 202 3HZ LYS 26 1HZ LYS 26 14.129 18.641 5.615 203 H LYS 27 H LYS 27 15.926 10.449 7.600 204 HA LYS 27 HA LYS 27 13.580 9.146 8.688 205 1HB LYS 27 2HB LYS 27 15.933 7.664 7.531 206 2HB LYS 27 1HB LYS 27 14.215 7.284 7.404 207 1HG LYS 27 2HG LYS 27 14.088 9.607 6.171 208 2HG LYS 27 1HG LYS 27 15.814 9.349 5.919 209 1HD LYS 27 2HD LYS 27 13.712 7.284 5.221 210 2HD LYS 27 1HD LYS 27 14.322 8.468 4.065 211 1HE LYS 27 2HE LYS 27 16.181 6.670 5.626 212 2HE LYS 27 1HE LYS 27 15.477 6.166 4.089 213 1HZ LYS 27 2HZ LYS 27 16.366 8.630 3.512 214 2HZ LYS 27 1HZ LYS 27 17.543 8.111 4.622 215 3HZ LYS 27 3HZ LYS 27 17.241 7.203 3.221 216 HA PRO 28 HA PRO 28 15.294 7.876 12.591 217 1HB PRO 28 2HB PRO 28 13.541 5.907 13.174 218 2HB PRO 28 1HB PRO 28 13.131 7.620 13.289 219 1HG PRO 28 2HG PRO 28 12.511 5.662 11.111 220 2HG PRO 28 1HG PRO 28 11.471 6.900 11.822 221 1HD PRO 28 2HD PRO 28 12.725 7.245 9.444 222 2HD PRO 28 1HD PRO 28 12.385 8.586 10.538 223 H ILE 29 H ILE 29 16.834 6.396 13.208 224 HA ILE 29 HA ILE 29 17.127 3.960 11.495 225 HB ILE 29 HB ILE 29 19.580 4.207 12.608 226 1HG1 ILE 29 2HG1 ILE 29 20.154 6.677 12.432 227 2HG1 ILE 29 1HG1 ILE 29 18.421 6.996 12.422 228 1HG2 ILE 29 2HG2 ILE 29 18.375 4.667 10.074 229 2HG2 ILE 29 1HG2 ILE 29 19.528 5.973 10.346 230 3HG2 ILE 29 3HG2 ILE 29 20.065 4.294 10.415 231 1HD1 ILE 29 3HD1 ILE 29 18.913 5.171 14.544 232 2HD1 ILE 29 2HD1 ILE 29 20.124 6.449 14.673 233 3HD1 ILE 29 1HD1 ILE 29 18.408 6.857 14.669 234 H GLN 30 H GLN 30 18.140 2.105 12.659 235 HA GLN 30 HA GLN 30 17.847 2.101 15.596 236 1HB GLN 30 2HB GLN 30 16.296 0.192 13.814 237 2HB GLN 30 1HB GLN 30 16.343 0.151 15.576 238 1HG GLN 30 2HG GLN 30 15.316 2.467 13.905 239 2HG GLN 30 1HG GLN 30 14.305 1.296 14.752 240 1HE2 GLN 30 1HE2 GLN 30 14.542 4.259 15.247 241 2HE2 GLN 30 2HE2 GLN 30 15.010 4.409 16.872 242 H SER 31 H SER 31 19.669 1.092 16.299 243 HA SER 31 HA SER 31 21.276 -0.489 14.447 244 1HB SER 31 2HB SER 31 21.831 1.050 16.671 245 2HB SER 31 1HB SER 31 22.034 -0.594 17.278 246 HG SER 31 HG SER 31 23.656 -0.921 15.942 247 H LEU 32 H LEU 32 21.666 -2.691 14.528 248 HA LEU 32 HA LEU 32 19.609 -4.301 15.903 249 1HB LEU 32 2HB LEU 32 21.808 -5.097 13.967 250 2HB LEU 32 1HB LEU 32 20.536 -6.165 14.558 251 HG LEU 32 HG LEU 32 18.850 -4.547 13.597 252 1HD1 LEU 32 3HD1 LEU 32 21.415 -3.256 12.721 253 2HD1 LEU 32 2HD1 LEU 32 19.994 -3.136 11.685 254 3HD1 LEU 32 1HD1 LEU 32 19.942 -2.501 13.330 255 1HD2 LEU 32 2HD2 LEU 32 20.873 -5.774 11.699 256 2HD2 LEU 32 1HD2 LEU 32 19.467 -6.587 12.387 257 3HD2 LEU 32 3HD2 LEU 32 19.248 -5.261 11.244 258 H ASP 33 H ASP 33 22.908 -3.387 16.298 259 HA ASP 33 HA ASP 33 23.754 -5.700 17.827 260 1HB ASP 33 2HB ASP 33 24.863 -2.879 17.722 261 2HB ASP 33 1HB ASP 33 25.663 -4.250 18.490 262 H GLY 34 H GLY 34 21.490 -3.373 18.510 263 1HA GLY 34 1HA GLY 34 21.867 -3.793 21.440 264 2HA GLY 34 2HA GLY 34 20.320 -3.454 20.663 265 H ILE 35 H ILE 35 21.878 -1.417 18.946 266 HA ILE 35 HA ILE 35 22.070 0.720 21.032 267 HB ILE 35 HB ILE 35 23.280 0.889 18.269 268 1HG1 ILE 35 2HG1 ILE 35 25.134 0.238 20.443 269 2HG1 ILE 35 1HG1 ILE 35 23.997 -1.066 20.106 270 1HG2 ILE 35 2HG2 ILE 35 22.978 2.900 19.835 271 2HG2 ILE 35 1HG2 ILE 35 24.188 2.138 20.868 272 3HG2 ILE 35 3HG2 ILE 35 24.608 2.618 19.224 273 1HD1 ILE 35 3HD1 ILE 35 24.586 -0.925 17.694 274 2HD1 ILE 35 2HD1 ILE 35 25.767 0.329 18.074 275 3HD1 ILE 35 1HD1 ILE 35 25.989 -1.307 18.693 276 H MET 36 H MET 36 20.936 2.659 20.649 277 HA MET 36 HA MET 36 18.873 2.470 18.510 278 1HB MET 36 2HB MET 36 19.023 4.301 20.927 279 2HB MET 36 1HB MET 36 17.676 4.201 19.793 280 1HG MET 36 2HG MET 36 17.360 1.819 20.390 281 2HG MET 36 1HG MET 36 18.691 1.937 21.541 282 1HE MET 36 1HE MET 36 18.922 3.996 22.813 283 2HE MET 36 3HE MET 36 17.680 5.255 22.856 284 3HE MET 36 2HE MET 36 17.838 4.121 24.195 285 H PHE 37 H PHE 37 21.375 3.107 17.541 286 HA PHE 37 HA PHE 37 21.078 6.018 16.936 287 1HB PHE 37 2HB PHE 37 23.465 4.454 17.779 288 2HB PHE 37 1HB PHE 37 23.714 5.654 16.511 289 HD1 PHE 37 HD1 PHE 37 22.268 7.938 17.021 290 HD2 PHE 37 HD2 PHE 37 23.857 5.217 19.940 291 HE1 PHE 37 HE1 PHE 37 22.240 9.745 18.719 292 HE2 PHE 37 HE2 PHE 37 23.829 7.024 21.639 293 HZ PHE 37 HZ PHE 37 23.021 9.288 21.029 294 H ILE 38 H ILE 38 22.590 6.426 14.838 295 HA ILE 38 HA ILE 38 21.327 5.266 12.634 296 HB ILE 38 HB ILE 38 24.201 6.227 12.776 297 1HG1 ILE 38 2HG1 ILE 38 21.735 7.747 11.896 298 2HG1 ILE 38 1HG1 ILE 38 22.365 7.823 13.542 299 1HG2 ILE 38 3HG2 ILE 38 23.295 4.828 10.743 300 2HG2 ILE 38 2HG2 ILE 38 22.435 6.315 10.346 301 3HG2 ILE 38 1HG2 ILE 38 24.196 6.314 10.440 302 1HD1 ILE 38 2HD1 ILE 38 24.553 8.584 12.651 303 2HD1 ILE 38 1HD1 ILE 38 23.887 8.550 11.018 304 3HD1 ILE 38 3HD1 ILE 38 23.251 9.687 12.206 305 H ASN 39 H ASN 39 21.123 3.072 12.458 306 HA ASN 39 HA ASN 39 23.110 1.184 13.289 307 1HB ASN 39 2HB ASN 39 20.753 0.565 13.011 308 2HB ASN 39 1HB ASN 39 20.862 0.867 11.280 309 1HD2 ASN 39 1HD2 ASN 39 22.910 -0.932 13.665 310 2HD2 ASN 39 2HD2 ASN 39 23.027 -2.336 12.721 311 H LYS 40 H LYS 40 22.613 2.951 10.303 312 HA LYS 40 HA LYS 40 24.206 1.308 8.616 313 1HB LYS 40 2HB LYS 40 23.854 4.314 8.497 314 2HB LYS 40 1HB LYS 40 24.362 3.269 7.169 315 1HG LYS 40 2HG LYS 40 22.204 2.088 7.262 316 2HG LYS 40 1HG LYS 40 21.695 3.110 8.605 317 1HD LYS 40 2HD LYS 40 22.004 5.111 7.120 318 2HD LYS 40 1HD LYS 40 22.336 4.012 5.781 319 1HE LYS 40 2HE LYS 40 20.145 3.248 5.688 320 2HE LYS 40 1HE LYS 40 19.840 3.601 7.389 321 1HZ LYS 40 2HZ LYS 40 20.427 6.021 6.211 322 2HZ LYS 40 1HZ LYS 40 19.394 5.236 5.115 323 3HZ LYS 40 3HZ LYS 40 18.900 5.477 6.719 324 H CYS 41 H CYS 41 25.158 4.440 10.036 325 HA CYS 41 HA CYS 41 27.949 4.052 9.674 326 1HB CYS 41 2HB CYS 41 26.409 5.711 11.686 327 2HB CYS 41 1HB CYS 41 28.165 5.749 11.555 328 H ALA 42 H ALA 42 25.758 2.651 11.916 329 HA ALA 42 HA ALA 42 27.772 1.999 13.929 330 1HB ALA 42 3HB ALA 42 25.177 2.237 14.199 331 2HB ALA 42 2HB ALA 42 25.150 0.561 13.652 332 3HB ALA 42 1HB ALA 42 26.029 0.996 15.118 333 H THR 43 H THR 43 26.031 0.179 11.385 334 HA THR 43 HA THR 43 27.998 -2.028 11.790 335 HB THR 43 HB THR 43 26.242 -3.265 10.291 336 HG1 THR 43 HG1 THR 43 24.639 -2.033 9.787 337 1HG2 THR 43 3HG2 THR 43 25.935 -2.469 13.182 338 2HG2 THR 43 2HG2 THR 43 24.796 -3.578 12.418 339 3HG2 THR 43 1HG2 THR 43 26.505 -4.000 12.518 340 H CYS 44 H CYS 44 26.500 0.006 9.269 341 HA CYS 44 HA CYS 44 27.760 -1.149 7.023 342 1HB CYS 44 2HB CYS 44 27.098 1.765 7.536 343 2HB CYS 44 1HB CYS 44 27.563 1.109 5.970 344 H LYS 45 H LYS 45 29.064 0.983 9.497 345 HA LYS 45 HA LYS 45 31.412 1.860 8.194 346 1HB LYS 45 2HB LYS 45 30.667 1.302 11.034 347 2HB LYS 45 1HB LYS 45 32.373 1.539 10.663 348 1HG LYS 45 2HG LYS 45 31.713 3.674 9.475 349 2HG LYS 45 1HG LYS 45 30.093 3.457 10.139 350 1HD LYS 45 2HD LYS 45 31.245 3.273 12.433 351 2HD LYS 45 1HD LYS 45 32.678 3.920 11.634 352 1HE LYS 45 2HE LYS 45 31.516 5.937 11.017 353 2HE LYS 45 1HE LYS 45 29.967 5.267 11.529 354 1HZ LYS 45 2HZ LYS 45 31.891 5.153 13.621 355 2HZ LYS 45 1HZ LYS 45 31.701 6.745 13.058 356 3HZ LYS 45 3HZ LYS 45 30.354 5.877 13.611 357 H MET 46 H MET 46 30.792 -1.186 9.930 358 HA MET 46 HA MET 46 33.454 -2.227 9.311 359 1HB MET 46 2HB MET 46 30.953 -3.546 10.416 360 2HB MET 46 1HB MET 46 32.498 -4.373 10.217 361 1HG MET 46 2HG MET 46 33.572 -2.707 11.699 362 2HG MET 46 1HG MET 46 32.017 -1.904 11.914 363 1HE MET 46 1HE MET 46 34.091 -4.883 12.075 364 2HE MET 46 3HE MET 46 33.582 -5.835 13.476 365 3HE MET 46 2HE MET 46 32.752 -6.019 11.934 366 H ILE 47 H ILE 47 30.182 -2.464 8.021 367 HA ILE 47 HA ILE 47 30.767 -4.558 6.116 368 HB ILE 47 HB ILE 47 28.629 -2.409 5.981 369 1HG1 ILE 47 1HG1 ILE 47 28.415 -3.567 8.089 370 2HG1 ILE 47 2HG1 ILE 47 27.191 -4.219 7.000 371 1HG2 ILE 47 3HG2 ILE 47 29.156 -4.977 4.523 372 2HG2 ILE 47 2HG2 ILE 47 27.489 -4.465 4.789 373 3HG2 ILE 47 1HG2 ILE 47 28.597 -3.429 3.888 374 1HD1 ILE 47 2HD1 ILE 47 29.271 -5.870 6.427 375 2HD1 ILE 47 1HD1 ILE 47 29.609 -5.518 8.122 376 3HD1 ILE 47 3HD1 ILE 47 28.062 -6.227 7.661 377 H LEU 48 H LEU 48 31.324 -1.132 6.251 378 HA LEU 48 HA LEU 48 31.583 -0.646 3.424 379 1HB LEU 48 2HB LEU 48 31.471 1.024 5.460 380 2HB LEU 48 1HB LEU 48 33.223 0.825 5.470 381 HG LEU 48 HG LEU 48 32.737 2.714 4.061 382 1HD1 LEU 48 2HD1 LEU 48 34.339 0.824 3.254 383 2HD1 LEU 48 1HD1 LEU 48 33.075 0.476 2.074 384 3HD1 LEU 48 3HD1 LEU 48 33.849 2.060 2.096 385 1HD2 LEU 48 1HD2 LEU 48 30.608 0.888 2.991 386 2HD2 LEU 48 3HD2 LEU 48 30.482 2.576 3.484 387 3HD2 LEU 48 2HD2 LEU 48 31.258 2.160 1.957 388 H GLU 49 H GLU 49 33.837 -1.717 5.946 389 HA GLU 49 HA GLU 49 36.231 -1.584 4.410 390 1HB GLU 49 2HB GLU 49 35.459 -3.558 6.582 391 2HB GLU 49 1HB GLU 49 37.099 -3.288 5.991 392 1HG GLU 49 2HG GLU 49 36.937 -0.909 6.676 393 2HG GLU 49 1HG GLU 49 35.317 -1.213 7.304 394 H LYS 50 H LYS 50 33.658 -3.996 4.518 395 HA LYS 50 HA LYS 50 34.940 -6.133 3.190 396 1HB LYS 50 2HB LYS 50 32.631 -6.200 4.170 397 2HB LYS 50 1HB LYS 50 32.065 -5.252 2.794 398 1HG LYS 50 2HG LYS 50 32.884 -7.022 1.260 399 2HG LYS 50 1HG LYS 50 33.396 -7.976 2.653 400 1HD LYS 50 2HD LYS 50 31.020 -7.927 3.474 401 2HD LYS 50 1HD LYS 50 30.564 -7.138 1.964 402 1HE LYS 50 2HE LYS 50 32.012 -9.268 1.037 403 2HE LYS 50 1HE LYS 50 31.268 -9.960 2.478 404 1HZ LYS 50 3HZ LYS 50 29.115 -9.150 1.675 405 2HZ LYS 50 2HZ LYS 50 29.859 -8.581 0.257 406 3HZ LYS 50 1HZ LYS 50 29.825 -10.246 0.593 407 H GLU 51 H GLU 51 33.345 -3.254 1.831 408 HA GLU 51 HA GLU 51 33.528 -3.970 -0.908 409 1HB GLU 51 2HB GLU 51 32.281 -1.991 -0.016 410 2HB GLU 51 1HB GLU 51 33.826 -1.189 0.266 411 1HG GLU 51 2HG GLU 51 34.355 -1.452 -2.163 412 2HG GLU 51 1HG GLU 51 32.746 -2.131 -2.408 413 H ALA 52 H ALA 52 35.950 -2.701 1.310 414 HA ALA 52 HA ALA 52 37.895 -1.922 -0.634 415 1HB ALA 52 2HB ALA 52 39.525 -2.151 1.212 416 2HB ALA 52 1HB ALA 52 38.073 -1.305 1.747 417 3HB ALA 52 3HB ALA 52 38.313 -3.000 2.172 418 H LYS 53 H LYS 53 36.968 -5.046 0.656 419 HA LYS 53 HA LYS 53 39.267 -6.554 -0.048 420 1HB LYS 53 2HB LYS 53 36.343 -7.360 -0.055 421 2HB LYS 53 1HB LYS 53 37.690 -8.492 -0.177 422 1HG LYS 53 2HG LYS 53 38.561 -7.614 1.999 423 2HG LYS 53 1HG LYS 53 37.120 -6.605 2.129 424 1HD LYS 53 2HD LYS 53 35.718 -8.672 1.987 425 2HD LYS 53 1HD LYS 53 37.195 -9.635 1.996 426 1HE LYS 53 2HE LYS 53 36.746 -7.601 4.161 427 2HE LYS 53 1HE LYS 53 35.934 -9.163 4.259 428 1HZ LYS 53 2HZ LYS 53 38.859 -8.781 3.913 429 2HZ LYS 53 1HZ LYS 53 38.092 -9.164 5.380 430 3HZ LYS 53 3HZ LYS 53 38.054 -10.267 4.092 431 H SER 54 H SER 54 36.549 -5.422 -2.003 432 HA SER 54 HA SER 54 37.102 -6.982 -4.336 433 1HB SER 54 2HB SER 54 35.716 -5.382 -5.522 434 2HB SER 54 1HB SER 54 35.002 -5.659 -3.933 435 HG SER 54 HG SER 54 35.436 -3.379 -4.827 436 H GLN 55 H GLN 55 38.586 -4.109 -3.015 437 HA GLN 55 HA GLN 55 40.542 -4.182 -5.259 438 1HB GLN 55 2HB GLN 55 39.180 -1.698 -4.174 439 2HB GLN 55 1HB GLN 55 40.562 -1.679 -5.270 440 1HG GLN 55 2HG GLN 55 39.262 -2.919 -6.951 441 2HG GLN 55 1HG GLN 55 37.884 -2.983 -5.852 442 1HE2 GLN 55 1HE2 GLN 55 37.710 -1.698 -8.422 443 2HE2 GLN 55 2HE2 GLN 55 37.496 -0.034 -8.168 No H/Q in entry = 443 Start of MODEL 20 1 H1 LYS 1 1H LYS 1 0.316 -9.390 -0.029 2 H2 LYS 1 3H LYS 1 0.839 -10.970 -0.355 3 H3 LYS 1 2H LYS 1 1.048 -9.750 -1.519 4 HA LYS 1 HA LYS 1 -1.019 -9.940 -2.302 5 1HB LYS 1 2HB LYS 1 -0.862 -12.444 -0.595 6 2HB LYS 1 1HB LYS 1 -2.020 -12.187 -1.900 7 1HG LYS 1 2HG LYS 1 -0.101 -11.852 -3.471 8 2HG LYS 1 1HG LYS 1 1.001 -12.256 -2.155 9 1HD LYS 1 2HD LYS 1 -0.165 -14.456 -1.917 10 2HD LYS 1 1HD LYS 1 -1.146 -14.051 -3.326 11 1HE LYS 1 2HE LYS 1 0.516 -14.624 -4.740 12 2HE LYS 1 1HE LYS 1 1.682 -13.634 -3.860 13 1HZ LYS 1 3HZ LYS 1 0.783 -16.272 -2.865 14 2HZ LYS 1 2HZ LYS 1 2.110 -16.106 -3.914 15 3HZ LYS 1 1HZ LYS 1 2.138 -15.374 -2.381 16 H ASN 2 H ASN 2 -1.825 -11.554 0.759 17 HA ASN 2 HA ASN 2 -4.315 -10.262 1.079 18 1HB ASN 2 2HB ASN 2 -2.452 -11.356 3.211 19 2HB ASN 2 1HB ASN 2 -4.147 -10.945 3.471 20 1HD2 ASN 2 1HD2 ASN 2 -3.210 -13.626 3.833 21 2HD2 ASN 2 2HD2 ASN 2 -3.892 -14.602 2.623 22 H GLU 3 H GLU 3 -1.082 -9.176 1.880 23 HA GLU 3 HA GLU 3 -1.853 -7.044 3.658 24 1HB GLU 3 2HB GLU 3 0.596 -7.444 1.916 25 2HB GLU 3 1HB GLU 3 0.420 -6.113 3.061 26 1HG GLU 3 2HG GLU 3 0.038 -7.802 4.876 27 2HG GLU 3 1HG GLU 3 0.389 -9.076 3.707 28 H ASP 4 H ASP 4 -1.420 -7.266 0.148 29 HA ASP 4 HA ASP 4 -1.636 -4.498 -0.463 30 1HB ASP 4 2HB ASP 4 -2.909 -6.571 -2.231 31 2HB ASP 4 1HB ASP 4 -1.964 -5.151 -2.686 32 H GLN 5 H GLN 5 -4.032 -6.836 0.518 33 HA GLN 5 HA GLN 5 -6.384 -5.537 -0.419 34 1HB GLN 5 2HB GLN 5 -6.296 -7.827 0.614 35 2HB GLN 5 1HB GLN 5 -6.071 -7.058 2.185 36 1HG GLN 5 2HG GLN 5 -8.212 -5.849 1.890 37 2HG GLN 5 1HG GLN 5 -8.439 -6.646 0.333 38 1HE2 GLN 5 1HE2 GLN 5 -10.452 -7.163 2.082 39 2HE2 GLN 5 2HE2 GLN 5 -10.308 -8.707 2.771 40 H GLU 6 H GLU 6 -4.463 -5.055 2.531 41 HA GLU 6 HA GLU 6 -6.213 -3.194 3.798 42 1HB GLU 6 2HB GLU 6 -3.184 -3.362 3.913 43 2HB GLU 6 1HB GLU 6 -4.198 -2.462 5.042 44 1HG GLU 6 2HG GLU 6 -5.334 -4.551 5.695 45 2HG GLU 6 1HG GLU 6 -4.336 -5.455 4.555 46 H MET 7 H MET 7 -3.685 -2.768 1.349 47 HA MET 7 HA MET 7 -3.576 0.069 1.360 48 1HB MET 7 2HB MET 7 -3.217 -1.929 -0.890 49 2HB MET 7 1HB MET 7 -2.897 -0.204 -1.070 50 1HG MET 7 2HG MET 7 -1.228 -0.289 0.711 51 2HG MET 7 1HG MET 7 -1.596 -1.988 1.009 52 1HE MET 7 1HE MET 7 -0.955 0.598 -1.390 53 2HE MET 7 3HE MET 7 0.738 0.287 -1.796 54 3HE MET 7 2HE MET 7 -0.542 -0.211 -2.899 55 H CYS 8 H CYS 8 -5.975 -2.143 0.106 56 HA CYS 8 HA CYS 8 -7.307 -0.191 -1.583 57 1HB CYS 8 2HB CYS 8 -7.565 -2.611 -1.970 58 2HB CYS 8 1HB CYS 8 -8.325 -2.788 -0.389 59 H HIS 9 H HIS 9 -7.698 -1.333 1.752 60 HA HIS 9 HA HIS 9 -10.139 -0.180 2.446 61 1HB HIS 9 2HB HIS 9 -8.995 -1.408 4.132 62 2HB HIS 9 1HB HIS 9 -7.550 -0.409 3.990 63 HD1 HIS 9 HD1 HIS 9 -8.013 2.247 4.639 64 HD2 HIS 9 HD2 HIS 9 -10.668 -0.579 6.170 65 HE1 HIS 9 HE1 HIS 9 -9.215 3.365 6.565 66 H GLU 10 H GLU 10 -6.949 1.444 2.522 67 HA GLU 10 HA GLU 10 -7.907 4.022 3.215 68 1HB GLU 10 2HB GLU 10 -5.497 3.132 1.616 69 2HB GLU 10 1HB GLU 10 -5.791 4.820 2.032 70 1HG GLU 10 2HG GLU 10 -5.482 2.515 3.979 71 2HG GLU 10 1HG GLU 10 -4.328 3.821 3.713 72 H PHE 11 H PHE 11 -7.733 2.379 0.088 73 HA PHE 11 HA PHE 11 -8.539 4.800 -1.358 74 1HB PHE 11 2HB PHE 11 -7.507 2.184 -2.048 75 2HB PHE 11 1HB PHE 11 -8.928 2.566 -3.023 76 HD1 PHE 11 HD1 PHE 11 -5.501 3.613 -2.119 77 HD2 PHE 11 HD2 PHE 11 -8.932 4.453 -4.565 78 HE1 PHE 11 HE1 PHE 11 -4.152 5.189 -3.473 79 HE2 PHE 11 HE2 PHE 11 -7.579 6.029 -5.918 80 HZ PHE 11 HZ PHE 11 -5.189 6.395 -5.372 81 H GLN 12 H GLN 12 -10.189 2.969 0.716 82 HA GLN 12 HA GLN 12 -12.630 2.557 -0.888 83 1HB GLN 12 2HB GLN 12 -11.946 2.120 2.031 84 2HB GLN 12 1HB GLN 12 -13.577 1.903 1.398 85 1HG GLN 12 2HG GLN 12 -12.772 0.218 -0.183 86 2HG GLN 12 1HG GLN 12 -11.111 0.478 0.351 87 1HE2 GLN 12 1HE2 GLN 12 -12.419 -2.094 0.563 88 2HE2 GLN 12 2HE2 GLN 12 -12.595 -2.453 2.213 89 H ALA 13 H ALA 13 -11.285 4.849 1.405 90 HA ALA 13 HA ALA 13 -13.798 6.270 1.828 91 1HB ALA 13 1HB ALA 13 -12.439 7.906 3.004 92 2HB ALA 13 3HB ALA 13 -11.890 6.295 3.465 93 3HB ALA 13 2HB ALA 13 -10.964 7.242 2.301 94 H PHE 14 H PHE 14 -11.323 6.232 -0.571 95 HA PHE 14 HA PHE 14 -11.860 8.926 -1.583 96 1HB PHE 14 2HB PHE 14 -10.252 6.573 -2.588 97 2HB PHE 14 1HB PHE 14 -10.498 8.012 -3.577 98 HD1 PHE 14 HD1 PHE 14 -9.718 10.250 -2.739 99 HD2 PHE 14 HD2 PHE 14 -8.739 6.576 -0.740 100 HE1 PHE 14 HE1 PHE 14 -7.893 11.401 -1.516 101 HE2 PHE 14 HE2 PHE 14 -6.915 7.727 0.484 102 HZ PHE 14 HZ PHE 14 -6.492 10.140 0.096 103 H MET 15 H MET 15 -13.767 6.304 -1.513 104 HA MET 15 HA MET 15 -14.605 6.185 -4.309 105 1HB MET 15 2HB MET 15 -15.222 4.786 -1.812 106 2HB MET 15 1HB MET 15 -16.652 5.081 -2.800 107 1HG MET 15 2HG MET 15 -15.432 4.117 -4.762 108 2HG MET 15 1HG MET 15 -14.093 3.717 -3.687 109 1HE MET 15 3HE MET 15 -14.780 2.890 -1.278 110 2HE MET 15 2HE MET 15 -16.500 3.222 -1.087 111 3HE MET 15 1HE MET 15 -15.916 1.563 -0.996 112 H LYS 16 H LYS 16 -16.313 7.301 -5.230 113 HA LYS 16 HA LYS 16 -17.956 9.020 -3.422 114 1HB LYS 16 2HB LYS 16 -16.598 9.834 -6.006 115 2HB LYS 16 1HB LYS 16 -17.838 10.798 -5.204 116 1HG LYS 16 2HG LYS 16 -16.400 10.771 -3.131 117 2HG LYS 16 1HG LYS 16 -15.132 10.008 -4.091 118 1HD LYS 16 2HD LYS 16 -15.231 11.945 -5.672 119 2HD LYS 16 1HD LYS 16 -16.396 12.719 -4.598 120 1HE LYS 16 2HE LYS 16 -14.814 13.162 -2.977 121 2HE LYS 16 1HE LYS 16 -13.844 11.748 -3.389 122 1HZ LYS 16 2HZ LYS 16 -14.073 13.836 -5.411 123 2HZ LYS 16 1HZ LYS 16 -13.128 14.194 -4.046 124 3HZ LYS 16 3HZ LYS 16 -12.748 12.852 -5.010 125 H ASN 17 H ASN 17 -20.120 9.189 -4.026 126 HA ASN 17 HA ASN 17 -22.109 8.447 -5.039 127 1HB ASN 17 2HB ASN 17 -20.357 8.827 -7.488 128 2HB ASN 17 1HB ASN 17 -22.111 8.648 -7.522 129 1HD2 ASN 17 1HD2 ASN 17 -20.811 11.039 -8.470 130 2HD2 ASN 17 2HD2 ASN 17 -21.229 12.315 -7.432 131 H GLY 18 H GLY 18 -19.924 6.427 -4.356 132 1HA GLY 18 1HA GLY 18 -21.239 4.140 -5.631 133 2HA GLY 18 2HA GLY 18 -19.961 4.055 -4.417 134 H LYS 19 H LYS 19 -18.250 5.933 -5.950 135 HA LYS 19 HA LYS 19 -17.261 3.966 -7.957 136 1HB LYS 19 2HB LYS 19 -18.615 5.981 -8.929 137 2HB LYS 19 1HB LYS 19 -17.177 6.919 -8.532 138 1HG LYS 19 2HG LYS 19 -16.366 4.485 -9.822 139 2HG LYS 19 1HG LYS 19 -17.606 5.261 -10.806 140 1HD LYS 19 2HD LYS 19 -16.225 7.442 -10.359 141 2HD LYS 19 1HD LYS 19 -14.919 6.324 -9.967 142 1HE LYS 19 2HE LYS 19 -14.509 6.103 -12.171 143 2HE LYS 19 1HE LYS 19 -16.097 5.358 -12.352 144 1HZ LYS 19 3HZ LYS 19 -16.522 8.085 -12.131 145 2HZ LYS 19 2HZ LYS 19 -15.223 7.903 -13.211 146 3HZ LYS 19 1HZ LYS 19 -16.702 7.124 -13.517 147 H LEU 20 H LEU 20 -15.018 3.818 -8.003 148 HA LEU 20 HA LEU 20 -13.594 5.195 -5.827 149 1HB LEU 20 2HB LEU 20 -13.158 2.819 -6.164 150 2HB LEU 20 1HB LEU 20 -12.690 3.113 -7.839 151 HG LEU 20 HG LEU 20 -10.911 4.708 -6.882 152 1HD1 LEU 20 1HD1 LEU 20 -12.257 3.985 -4.490 153 2HD1 LEU 20 3HD1 LEU 20 -10.653 3.254 -4.412 154 3HD1 LEU 20 2HD1 LEU 20 -10.819 4.993 -4.651 155 1HD2 LEU 20 1HD2 LEU 20 -10.673 2.232 -7.708 156 2HD2 LEU 20 3HD2 LEU 20 -9.345 2.965 -6.807 157 3HD2 LEU 20 2HD2 LEU 20 -10.462 1.868 -5.996 158 H PHE 21 H PHE 21 -13.114 7.301 -6.362 159 HA PHE 21 HA PHE 21 -12.157 7.932 -9.088 160 1HB PHE 21 2HB PHE 21 -12.861 9.601 -6.670 161 2HB PHE 21 1HB PHE 21 -12.061 10.300 -8.078 162 HD1 PHE 21 HD1 PHE 21 -13.194 10.390 -10.263 163 HD2 PHE 21 HD2 PHE 21 -15.161 8.820 -6.781 164 HE1 PHE 21 HE1 PHE 21 -15.378 10.533 -11.431 165 HE2 PHE 21 HE2 PHE 21 -17.343 8.962 -7.950 166 HZ PHE 21 HZ PHE 21 -17.452 9.818 -10.274 167 H CYS 22 H CYS 22 -10.030 7.475 -9.426 168 HA CYS 22 HA CYS 22 -8.056 7.157 -7.422 169 1HB CYS 22 2HB CYS 22 -7.738 7.961 -10.328 170 2HB CYS 22 1HB CYS 22 -6.415 7.440 -9.286 171 HA PRO 23 HA PRO 23 -7.342 11.377 -6.176 172 1HB PRO 23 2HB PRO 23 -5.043 10.951 -4.821 173 2HB PRO 23 1HB PRO 23 -6.627 10.503 -4.184 174 1HG PRO 23 2HG PRO 23 -4.564 8.792 -5.519 175 2HG PRO 23 1HG PRO 23 -5.548 8.440 -4.095 176 1HD PRO 23 2HD PRO 23 -6.151 7.460 -6.547 177 2HD PRO 23 1HD PRO 23 -7.391 7.850 -5.355 178 H GLN 24 H GLN 24 -5.906 13.105 -6.724 179 HA GLN 24 HA GLN 24 -4.104 12.463 -9.000 180 1HB GLN 24 2HB GLN 24 -5.090 15.153 -8.001 181 2HB GLN 24 1HB GLN 24 -4.188 14.862 -9.489 182 1HG GLN 24 2HG GLN 24 -5.994 13.572 -10.422 183 2HG GLN 24 1HG GLN 24 -6.856 13.563 -8.883 184 1HE2 GLN 24 1HE2 GLN 24 -8.074 14.602 -11.262 185 2HE2 GLN 24 2HE2 GLN 24 -8.274 16.276 -11.074 186 H ASP 25 H ASP 25 -3.633 12.318 -5.893 187 HA ASP 25 HA ASP 25 -1.653 14.230 -5.199 188 1HB ASP 25 2HB ASP 25 -0.893 12.548 -3.541 189 2HB ASP 25 1HB ASP 25 -2.650 12.702 -3.551 190 H LYS 26 H LYS 26 0.719 13.869 -5.082 191 HA LYS 26 HA LYS 26 1.666 12.509 -7.551 192 1HB LYS 26 2HB LYS 26 3.045 14.482 -5.704 193 2HB LYS 26 1HB LYS 26 3.755 13.805 -7.170 194 1HG LYS 26 2HG LYS 26 1.862 14.756 -8.484 195 2HG LYS 26 1HG LYS 26 1.244 15.500 -7.010 196 1HD LYS 26 2HD LYS 26 3.412 16.713 -6.762 197 2HD LYS 26 1HD LYS 26 3.936 16.033 -8.302 198 1HE LYS 26 2HE LYS 26 1.297 17.433 -8.227 199 2HE LYS 26 1HE LYS 26 2.754 18.425 -8.167 200 1HZ LYS 26 3HZ LYS 26 2.587 16.279 -10.159 201 2HZ LYS 26 2HZ LYS 26 1.723 17.716 -10.437 202 3HZ LYS 26 1HZ LYS 26 3.410 17.760 -10.235 203 H LYS 27 H LYS 27 1.106 11.504 -4.566 204 HA LYS 27 HA LYS 27 3.544 10.531 -3.511 205 1HB LYS 27 2HB LYS 27 0.722 9.454 -3.414 206 2HB LYS 27 1HB LYS 27 2.053 8.656 -2.575 207 1HG LYS 27 2HG LYS 27 2.282 10.353 -1.038 208 2HG LYS 27 1HG LYS 27 1.784 11.598 -2.183 209 1HD LYS 27 2HD LYS 27 -0.120 11.551 -0.893 210 2HD LYS 27 1HD LYS 27 -0.534 10.248 -2.008 211 1HE LYS 27 2HE LYS 27 0.844 9.861 0.667 212 2HE LYS 27 1HE LYS 27 -0.876 9.601 0.376 213 1HZ LYS 27 3HZ LYS 27 -0.080 8.058 -1.479 214 2HZ LYS 27 2HZ LYS 27 1.425 8.093 -0.691 215 3HZ LYS 27 1HZ LYS 27 0.052 7.508 0.120 216 HA PRO 28 HA PRO 28 4.745 7.664 -6.714 217 1HB PRO 28 2HB PRO 28 6.760 6.472 -5.371 218 2HB PRO 28 1HB PRO 28 6.897 8.085 -6.073 219 1HG PRO 28 2HG PRO 28 6.379 7.286 -3.238 220 2HG PRO 28 1HG PRO 28 7.418 8.571 -3.859 221 1HD PRO 28 1HD PRO 28 4.939 9.040 -2.847 222 2HD PRO 28 2HD PRO 28 5.664 10.043 -4.103 223 H ILE 29 H ILE 29 3.511 5.888 -7.118 224 HA ILE 29 HA ILE 29 3.223 3.873 -4.924 225 HB ILE 29 HB ILE 29 1.196 3.262 -6.672 226 1HG1 ILE 29 2HG1 ILE 29 0.049 5.539 -6.982 227 2HG1 ILE 29 1HG1 ILE 29 1.638 6.253 -6.712 228 1HG2 ILE 29 3HG2 ILE 29 1.482 4.111 -4.030 229 2HG2 ILE 29 2HG2 ILE 29 0.334 5.253 -4.729 230 3HG2 ILE 29 1HG2 ILE 29 -0.001 3.521 -4.782 231 1HD1 ILE 29 1HD1 ILE 29 1.910 4.086 -8.574 232 2HD1 ILE 29 3HD1 ILE 29 0.606 5.140 -9.124 233 3HD1 ILE 29 2HD1 ILE 29 2.216 5.802 -8.842 234 H GLN 30 H GLN 30 2.693 1.623 -5.982 235 HA GLN 30 HA GLN 30 4.100 1.212 -8.549 236 1HB GLN 30 2HB GLN 30 5.885 1.052 -6.852 237 2HB GLN 30 1HB GLN 30 4.946 -0.157 -5.974 238 1HG GLN 30 2HG GLN 30 5.074 -1.689 -7.863 239 2HG GLN 30 1HG GLN 30 5.873 -0.461 -8.846 240 1HE2 GLN 30 1HE2 GLN 30 7.441 -2.579 -8.755 241 2HE2 GLN 30 2HE2 GLN 30 8.663 -2.474 -7.582 242 H SER 31 H SER 31 2.757 -0.109 -9.684 243 HA SER 31 HA SER 31 0.673 -1.602 -8.304 244 1HB SER 31 2HB SER 31 0.684 -0.437 -10.681 245 2HB SER 31 1HB SER 31 1.259 -2.024 -11.190 246 HG SER 31 HG SER 31 -0.587 -2.930 -10.548 247 H LEU 32 H LEU 32 0.358 -3.856 -8.400 248 HA LEU 32 HA LEU 32 2.879 -5.412 -8.425 249 1HB LEU 32 2HB LEU 32 0.051 -6.099 -7.557 250 2HB LEU 32 1HB LEU 32 1.418 -7.206 -7.451 251 HG LEU 32 HG LEU 32 2.594 -5.571 -5.995 252 1HD1 LEU 32 3HD1 LEU 32 0.089 -4.008 -6.537 253 2HD1 LEU 32 2HD1 LEU 32 0.912 -3.810 -4.989 254 3HD1 LEU 32 1HD1 LEU 32 1.762 -3.449 -6.493 255 1HD2 LEU 32 1HD2 LEU 32 0.886 -7.391 -5.204 256 2HD2 LEU 32 3HD2 LEU 32 1.427 -6.174 -4.047 257 3HD2 LEU 32 2HD2 LEU 32 -0.145 -6.009 -4.830 258 H ASP 33 H ASP 33 0.120 -4.756 -10.342 259 HA ASP 33 HA ASP 33 -0.002 -7.243 -11.802 260 1HB ASP 33 2HB ASP 33 -0.905 -4.472 -12.638 261 2HB ASP 33 1HB ASP 33 -1.400 -5.991 -13.385 262 H GLY 34 H GLY 34 2.341 -4.850 -11.697 263 1HA GLY 34 1HA GLY 34 3.437 -5.765 -14.312 264 2HA GLY 34 2HA GLY 34 4.388 -5.071 -12.997 265 H ILE 35 H ILE 35 2.124 -3.015 -12.685 266 HA ILE 35 HA ILE 35 2.982 -1.271 -14.965 267 HB ILE 35 HB ILE 35 0.741 -0.182 -14.780 268 1HG1 ILE 35 2HG1 ILE 35 0.368 -2.367 -12.725 269 2HG1 ILE 35 1HG1 ILE 35 0.148 -0.631 -12.510 270 1HG2 ILE 35 3HG2 ILE 35 0.880 -3.162 -15.300 271 2HG2 ILE 35 2HG2 ILE 35 -0.558 -2.205 -15.656 272 3HG2 ILE 35 1HG2 ILE 35 0.959 -1.856 -16.482 273 1HD1 ILE 35 2HD1 ILE 35 -1.522 -2.295 -14.408 274 2HD1 ILE 35 1HD1 ILE 35 -1.993 -1.965 -12.740 275 3HD1 ILE 35 3HD1 ILE 35 -1.821 -0.636 -13.888 276 H MET 36 H MET 36 3.451 0.914 -14.406 277 HA MET 36 HA MET 36 4.051 1.316 -11.535 278 1HB MET 36 2HB MET 36 4.717 2.913 -14.025 279 2HB MET 36 1HB MET 36 5.153 3.428 -12.396 280 1HG MET 36 2HG MET 36 6.385 1.286 -12.082 281 2HG MET 36 1HG MET 36 6.004 0.848 -13.747 282 1HE MET 36 1HE MET 36 6.843 3.676 -11.637 283 2HE MET 36 3HE MET 36 8.593 3.417 -11.612 284 3HE MET 36 2HE MET 36 7.907 4.736 -12.557 285 H PHE 37 H PHE 37 1.257 1.352 -12.585 286 HA PHE 37 HA PHE 37 0.485 4.195 -12.317 287 1HB PHE 37 2HB PHE 37 -0.670 2.937 -14.032 288 2HB PHE 37 1HB PHE 37 -1.103 1.677 -12.875 289 HD1 PHE 37 HD1 PHE 37 -2.751 2.131 -11.078 290 HD2 PHE 37 HD2 PHE 37 -1.866 5.037 -14.115 291 HE1 PHE 37 HE1 PHE 37 -4.797 3.390 -10.469 292 HE2 PHE 37 HE2 PHE 37 -3.914 6.296 -13.507 293 HZ PHE 37 HZ PHE 37 -5.381 5.472 -11.684 294 H ILE 38 H ILE 38 -1.246 4.764 -10.740 295 HA ILE 38 HA ILE 38 -0.641 4.206 -8.088 296 HB ILE 38 HB ILE 38 -3.450 4.648 -9.146 297 1HG1 ILE 38 2HG1 ILE 38 -1.334 6.669 -8.342 298 2HG1 ILE 38 1HG1 ILE 38 -1.846 6.342 -9.997 299 1HG2 ILE 38 1HG2 ILE 38 -2.928 3.965 -6.666 300 2HG2 ILE 38 3HG2 ILE 38 -2.349 5.625 -6.524 301 3HG2 ILE 38 2HG2 ILE 38 -4.024 5.312 -6.977 302 1HD1 ILE 38 3HD1 ILE 38 -4.106 6.860 -8.213 303 2HD1 ILE 38 2HD1 ILE 38 -2.984 8.219 -8.293 304 3HD1 ILE 38 1HD1 ILE 38 -3.716 7.592 -9.769 305 H ASN 39 H ASN 39 -0.264 2.075 -7.510 306 HA ASN 39 HA ASN 39 -1.738 -0.179 -8.397 307 1HB ASN 39 2HB ASN 39 0.469 -0.224 -7.161 308 2HB ASN 39 1HB ASN 39 -0.433 0.092 -5.681 309 1HD2 ASN 39 1HD2 ASN 39 -1.215 -2.029 -8.494 310 2HD2 ASN 39 2HD2 ASN 39 -1.412 -3.436 -7.574 311 H LYS 40 H LYS 40 -2.017 1.482 -5.236 312 HA LYS 40 HA LYS 40 -4.134 0.120 -4.152 313 1HB LYS 40 2HB LYS 40 -3.919 3.137 -4.150 314 2HB LYS 40 1HB LYS 40 -4.734 2.139 -2.946 315 1HG LYS 40 2HG LYS 40 -2.519 1.025 -2.486 316 2HG LYS 40 1HG LYS 40 -1.764 2.215 -3.546 317 1HD LYS 40 2HD LYS 40 -2.713 4.028 -2.107 318 2HD LYS 40 1HD LYS 40 -3.319 2.789 -1.007 319 1HE LYS 40 2HE LYS 40 -1.227 2.289 -0.204 320 2HE LYS 40 1HE LYS 40 -0.442 2.615 -1.749 321 1HZ LYS 40 1HZ LYS 40 -1.383 5.039 -1.038 322 2HZ LYS 40 3HZ LYS 40 -0.948 4.385 0.465 323 3HZ LYS 40 2HZ LYS 40 0.206 4.499 -0.778 324 H CYS 41 H CYS 41 -4.611 3.007 -6.203 325 HA CYS 41 HA CYS 41 -7.428 2.671 -6.453 326 1HB CYS 41 2HB CYS 41 -5.747 4.615 -7.193 327 2HB CYS 41 1HB CYS 41 -5.911 3.809 -8.749 328 H ALA 42 H ALA 42 -4.757 1.404 -8.405 329 HA ALA 42 HA ALA 42 -6.511 0.263 -10.420 330 1HB ALA 42 3HB ALA 42 -4.552 0.203 -11.506 331 2HB ALA 42 1HB ALA 42 -4.033 -1.103 -10.441 332 3HB ALA 42 2HB ALA 42 -3.683 0.572 -10.017 333 H THR 43 H THR 43 -5.090 -0.972 -7.412 334 HA THR 43 HA THR 43 -6.184 -3.661 -8.084 335 HB THR 43 HB THR 43 -4.930 -4.136 -5.780 336 HG1 THR 43 HG1 THR 43 -4.290 -2.106 -5.289 337 1HG2 THR 43 3HG2 THR 43 -4.425 -5.016 -8.107 338 2HG2 THR 43 2HG2 THR 43 -3.353 -3.632 -8.317 339 3HG2 THR 43 1HG2 THR 43 -3.016 -4.826 -7.064 340 H CYS 44 H CYS 44 -6.502 -1.007 -5.796 341 HA CYS 44 HA CYS 44 -8.193 -2.319 -3.900 342 1HB CYS 44 2HB CYS 44 -7.167 -0.135 -3.433 343 2HB CYS 44 1HB CYS 44 -8.109 0.600 -4.729 344 H LYS 45 H LYS 45 -8.794 -0.989 -7.084 345 HA LYS 45 HA LYS 45 -11.592 -0.613 -6.967 346 1HB LYS 45 2HB LYS 45 -9.970 -0.166 -8.928 347 2HB LYS 45 1HB LYS 45 -10.214 -1.861 -9.347 348 1HG LYS 45 2HG LYS 45 -12.667 -1.465 -9.427 349 2HG LYS 45 1HG LYS 45 -12.386 0.240 -9.075 350 1HD LYS 45 2HD LYS 45 -11.176 0.544 -11.137 351 2HD LYS 45 1HD LYS 45 -11.157 -1.192 -11.444 352 1HE LYS 45 2HE LYS 45 -13.285 -1.195 -12.252 353 2HE LYS 45 1HE LYS 45 -13.849 -0.052 -11.033 354 1HZ LYS 45 2HZ LYS 45 -12.163 0.705 -13.354 355 2HZ LYS 45 1HZ LYS 45 -13.857 0.826 -13.338 356 3HZ LYS 45 3HZ LYS 45 -12.933 1.750 -12.257 357 H MET 46 H MET 46 -9.785 -3.588 -7.791 358 HA MET 46 HA MET 46 -12.178 -5.211 -7.929 359 1HB MET 46 2HB MET 46 -9.273 -6.003 -7.536 360 2HB MET 46 1HB MET 46 -10.586 -7.120 -7.906 361 1HG MET 46 2HG MET 46 -11.024 -5.909 -10.013 362 2HG MET 46 1HG MET 46 -9.713 -4.789 -9.642 363 1HE MET 46 2HE MET 46 -8.860 -5.195 -11.881 364 2HE MET 46 1HE MET 46 -8.063 -6.647 -12.482 365 3HE MET 46 3HE MET 46 -9.829 -6.566 -12.417 366 H ILE 47 H ILE 47 -9.695 -4.613 -5.456 367 HA ILE 47 HA ILE 47 -10.795 -6.410 -3.502 368 HB ILE 47 HB ILE 47 -9.198 -3.879 -3.010 369 1HG1 ILE 47 2HG1 ILE 47 -8.203 -6.704 -3.480 370 2HG1 ILE 47 1HG1 ILE 47 -8.132 -5.409 -4.675 371 1HG2 ILE 47 1HG2 ILE 47 -9.820 -6.356 -1.404 372 2HG2 ILE 47 3HG2 ILE 47 -8.387 -5.387 -1.063 373 3HG2 ILE 47 2HG2 ILE 47 -9.991 -4.667 -0.927 374 1HD1 ILE 47 3HD1 ILE 47 -7.058 -4.518 -2.132 375 2HD1 ILE 47 2HD1 ILE 47 -6.225 -5.971 -2.685 376 3HD1 ILE 47 1HD1 ILE 47 -6.284 -4.541 -3.717 377 H LEU 48 H LEU 48 -11.693 -3.251 -4.614 378 HA LEU 48 HA LEU 48 -13.141 -2.369 -2.285 379 1HB LEU 48 2HB LEU 48 -12.463 -1.109 -4.531 380 2HB LEU 48 1HB LEU 48 -14.057 -1.649 -5.049 381 HG LEU 48 HG LEU 48 -14.501 0.450 -4.089 382 1HD1 LEU 48 1HD1 LEU 48 -15.905 -1.369 -3.103 383 2HD1 LEU 48 3HD1 LEU 48 -14.776 -1.463 -1.752 384 3HD1 LEU 48 2HD1 LEU 48 -15.708 0.009 -2.021 385 1HD2 LEU 48 1HD2 LEU 48 -12.397 -0.330 -2.069 386 2HD2 LEU 48 3HD2 LEU 48 -12.413 1.060 -3.156 387 3HD2 LEU 48 2HD2 LEU 48 -13.506 1.009 -1.773 388 H GLU 49 H GLU 49 -13.956 -4.384 -5.071 389 HA GLU 49 HA GLU 49 -16.784 -4.529 -4.534 390 1HB GLU 49 2HB GLU 49 -14.961 -6.476 -5.981 391 2HB GLU 49 1HB GLU 49 -16.724 -6.519 -6.021 392 1HG GLU 49 2HG GLU 49 -16.751 -4.245 -6.992 393 2HG GLU 49 1HG GLU 49 -14.988 -4.216 -6.964 394 H LYS 50 H LYS 50 -13.985 -6.254 -3.304 395 HA LYS 50 HA LYS 50 -15.336 -8.499 -2.173 396 1HB LYS 50 2HB LYS 50 -12.832 -7.049 -1.263 397 2HB LYS 50 1HB LYS 50 -13.366 -8.605 -0.627 398 1HG LYS 50 2HG LYS 50 -13.311 -9.516 -2.962 399 2HG LYS 50 1HG LYS 50 -12.629 -7.982 -3.503 400 1HD LYS 50 2HD LYS 50 -10.750 -8.307 -1.876 401 2HD LYS 50 1HD LYS 50 -11.404 -9.900 -1.498 402 1HE LYS 50 2HE LYS 50 -11.307 -9.867 -4.282 403 2HE LYS 50 1HE LYS 50 -9.822 -9.046 -3.800 404 1HZ LYS 50 2HZ LYS 50 -10.525 -11.461 -2.332 405 2HZ LYS 50 1HZ LYS 50 -10.017 -11.671 -3.940 406 3HZ LYS 50 3HZ LYS 50 -9.002 -10.893 -2.826 407 H GLU 51 H GLU 51 -14.841 -5.199 -1.003 408 HA GLU 51 HA GLU 51 -15.661 -5.557 1.686 409 1HB GLU 51 2HB GLU 51 -14.712 -3.443 0.729 410 2HB GLU 51 1HB GLU 51 -16.253 -3.163 -0.080 411 1HG GLU 51 2HG GLU 51 -17.384 -3.239 2.149 412 2HG GLU 51 1HG GLU 51 -15.800 -3.384 2.911 413 H ALA 52 H ALA 52 -17.534 -5.351 -1.286 414 HA ALA 52 HA ALA 52 -20.101 -4.919 -0.099 415 1HB ALA 52 1HB ALA 52 -20.842 -6.225 -2.263 416 2HB ALA 52 2HB ALA 52 -19.139 -6.080 -2.698 417 3HB ALA 52 3HB ALA 52 -20.104 -4.631 -2.416 418 H LYS 53 H LYS 53 -18.090 -7.765 -0.419 419 HA LYS 53 HA LYS 53 -20.117 -9.745 0.017 420 1HB LYS 53 2HB LYS 53 -17.155 -9.754 0.672 421 2HB LYS 53 1HB LYS 53 -18.197 -11.173 0.781 422 1HG LYS 53 2HG LYS 53 -18.786 -10.860 -1.634 423 2HG LYS 53 1HG LYS 53 -17.613 -9.545 -1.711 424 1HD LYS 53 2HD LYS 53 -15.844 -11.146 -0.952 425 2HD LYS 53 1HD LYS 53 -17.034 -12.445 -1.036 426 1HE LYS 53 2HE LYS 53 -17.415 -11.628 -3.478 427 2HE LYS 53 1HE LYS 53 -15.864 -10.812 -3.283 428 1HZ LYS 53 1HZ LYS 53 -16.298 -13.701 -2.765 429 2HZ LYS 53 3HZ LYS 53 -15.700 -13.081 -4.225 430 3HZ LYS 53 2HZ LYS 53 -14.812 -12.877 -2.791 431 H SER 54 H SER 54 -18.285 -7.670 2.195 432 HA SER 54 HA SER 54 -18.868 -9.025 4.637 433 1HB SER 54 2HB SER 54 -18.314 -6.935 5.734 434 2HB SER 54 1HB SER 54 -17.223 -7.140 4.364 435 HG SER 54 HG SER 54 -18.483 -5.041 4.742 436 H GLN 55 H GLN 55 -20.801 -6.942 2.597 437 HA GLN 55 HA GLN 55 -22.966 -6.987 4.658 438 1HB GLN 55 2HB GLN 55 -22.228 -4.736 3.838 439 2HB GLN 55 1HB GLN 55 -22.730 -5.206 2.213 440 1HG GLN 55 2HG GLN 55 -25.031 -5.633 3.107 441 2HG GLN 55 1HG GLN 55 -24.501 -5.006 4.667 442 1HE2 GLN 55 1HE2 GLN 55 -25.052 -2.842 4.925 443 2HE2 GLN 55 2HE2 GLN 55 -25.129 -1.695 3.676 No H/Q in entry = 443 Start of MODEL 21 1 H1 LYS 1 2H LYS 1 -9.964 -3.145 20.961 2 H2 LYS 1 1H LYS 1 -8.538 -3.058 21.879 3 H3 LYS 1 3H LYS 1 -8.536 -3.864 20.388 4 HA LYS 1 HA LYS 1 -8.621 -5.597 21.904 5 1HB LYS 1 2HB LYS 1 -9.052 -4.070 23.850 6 2HB LYS 1 1HB LYS 1 -10.756 -4.042 23.395 7 1HG LYS 1 2HG LYS 1 -10.832 -6.517 23.621 8 2HG LYS 1 1HG LYS 1 -9.147 -6.504 24.143 9 1HD LYS 1 2HD LYS 1 -9.807 -4.975 26.023 10 2HD LYS 1 1HD LYS 1 -11.491 -5.180 25.540 11 1HE LYS 1 2HE LYS 1 -11.611 -7.158 26.612 12 2HE LYS 1 1HE LYS 1 -10.193 -7.757 25.750 13 1HZ LYS 1 2HZ LYS 1 -9.986 -5.907 28.052 14 2HZ LYS 1 1HZ LYS 1 -10.004 -7.596 28.243 15 3HZ LYS 1 3HZ LYS 1 -8.762 -6.857 27.355 16 H ASN 2 H ASN 2 -9.464 -6.802 20.196 17 HA ASN 2 HA ASN 2 -11.102 -7.962 18.981 18 1HB ASN 2 2HB ASN 2 -12.837 -7.052 21.299 19 2HB ASN 2 1HB ASN 2 -13.306 -8.255 20.097 20 1HD2 ASN 2 1HD2 ASN 2 -13.118 -8.950 22.865 21 2HD2 ASN 2 2HD2 ASN 2 -11.814 -10.019 23.066 22 H GLU 3 H GLU 3 -10.550 -5.268 18.240 23 HA GLU 3 HA GLU 3 -12.877 -3.656 17.909 24 1HB GLU 3 2HB GLU 3 -10.396 -3.879 16.178 25 2HB GLU 3 1HB GLU 3 -11.602 -2.600 16.036 26 1HG GLU 3 2HG GLU 3 -10.003 -3.220 18.539 27 2HG GLU 3 1HG GLU 3 -9.673 -1.891 17.428 28 H ASP 4 H ASP 4 -11.703 -6.455 16.155 29 HA ASP 4 HA ASP 4 -13.197 -6.169 13.758 30 1HB ASP 4 2HB ASP 4 -12.108 -8.509 15.288 31 2HB ASP 4 1HB ASP 4 -13.194 -8.803 13.929 32 H GLN 5 H GLN 5 -14.113 -7.476 16.920 33 HA GLN 5 HA GLN 5 -16.666 -8.498 16.185 34 1HB GLN 5 2HB GLN 5 -15.740 -7.293 18.810 35 2HB GLN 5 1HB GLN 5 -17.235 -8.204 18.598 36 1HG GLN 5 2HG GLN 5 -15.953 -10.170 17.869 37 2HG GLN 5 1HG GLN 5 -14.450 -9.261 18.022 38 1HE2 GLN 5 1HE2 GLN 5 -14.865 -11.634 19.551 39 2HE2 GLN 5 2HE2 GLN 5 -15.011 -11.208 21.187 40 H GLU 6 H GLU 6 -15.613 -5.238 17.089 41 HA GLU 6 HA GLU 6 -18.275 -4.115 17.160 42 1HB GLU 6 2HB GLU 6 -15.575 -2.798 16.726 43 2HB GLU 6 1HB GLU 6 -17.081 -1.930 17.025 44 1HG GLU 6 2HG GLU 6 -17.320 -3.137 19.185 45 2HG GLU 6 1HG GLU 6 -15.777 -3.937 18.890 46 H MET 7 H MET 7 -15.849 -4.591 14.641 47 HA MET 7 HA MET 7 -16.985 -2.936 12.626 48 1HB MET 7 2HB MET 7 -15.429 -5.530 12.451 49 2HB MET 7 1HB MET 7 -15.886 -4.587 11.032 50 1HG MET 7 2HG MET 7 -14.682 -2.634 11.939 51 2HG MET 7 1HG MET 7 -14.229 -3.572 13.362 52 1HE MET 7 1HE MET 7 -11.981 -2.991 13.143 53 2HE MET 7 3HE MET 7 -10.801 -3.576 11.963 54 3HE MET 7 2HE MET 7 -11.839 -2.207 11.572 55 H CYS 8 H CYS 8 -17.949 -6.047 13.889 56 HA CYS 8 HA CYS 8 -19.625 -6.833 11.688 57 1HB CYS 8 2HB CYS 8 -18.883 -8.431 13.412 58 2HB CYS 8 1HB CYS 8 -19.816 -7.558 14.628 59 H HIS 9 H HIS 9 -20.267 -5.049 14.704 60 HA HIS 9 HA HIS 9 -23.021 -4.800 14.655 61 1HB HIS 9 2HB HIS 9 -21.889 -3.679 16.409 62 2HB HIS 9 1HB HIS 9 -20.873 -2.774 15.289 63 HD1 HIS 9 HD1 HIS 9 -22.341 -1.090 13.641 64 HD2 HIS 9 HD2 HIS 9 -24.079 -2.219 17.258 65 HE1 HIS 9 HE1 HIS 9 -24.184 0.581 14.100 66 H GLU 10 H GLU 10 -20.728 -2.815 12.760 67 HA GLU 10 HA GLU 10 -22.663 -1.249 11.405 68 1HB GLU 10 2HB GLU 10 -20.198 -0.834 11.365 69 2HB GLU 10 1HB GLU 10 -20.014 -2.226 10.298 70 1HG GLU 10 2HG GLU 10 -21.592 -1.129 8.688 71 2HG GLU 10 1HG GLU 10 -21.606 0.293 9.730 72 H PHE 11 H PHE 11 -21.274 -4.429 10.540 73 HA PHE 11 HA PHE 11 -22.728 -4.614 8.058 74 1HB PHE 11 2HB PHE 11 -20.835 -6.215 9.488 75 2HB PHE 11 1HB PHE 11 -22.221 -7.228 9.087 76 HD1 PHE 11 HD1 PHE 11 -23.066 -5.677 6.575 77 HD2 PHE 11 HD2 PHE 11 -19.259 -7.156 7.910 78 HE1 PHE 11 HE1 PHE 11 -22.289 -5.799 4.226 79 HE2 PHE 11 HE2 PHE 11 -18.485 -7.278 5.560 80 HZ PHE 11 HZ PHE 11 -19.998 -6.599 3.718 81 H GLN 12 H GLN 12 -23.672 -4.939 11.324 82 HA GLN 12 HA GLN 12 -25.780 -6.872 11.011 83 1HB GLN 12 2HB GLN 12 -24.862 -6.144 13.220 84 2HB GLN 12 1HB GLN 12 -25.621 -4.570 12.982 85 1HG GLN 12 2HG GLN 12 -27.832 -5.676 12.814 86 2HG GLN 12 1HG GLN 12 -27.062 -7.238 13.094 87 1HE2 GLN 12 1HE2 GLN 12 -28.955 -6.579 14.958 88 2HE2 GLN 12 2HE2 GLN 12 -28.240 -6.076 16.413 89 H ALA 13 H ALA 13 -25.551 -3.404 10.449 90 HA ALA 13 HA ALA 13 -28.399 -2.974 10.149 91 1HB ALA 13 3HB ALA 13 -25.911 -1.424 9.668 92 2HB ALA 13 2HB ALA 13 -27.311 -0.960 8.700 93 3HB ALA 13 1HB ALA 13 -27.407 -0.932 10.461 94 H PHE 14 H PHE 14 -25.806 -3.995 8.002 95 HA PHE 14 HA PHE 14 -27.430 -3.669 5.588 96 1HB PHE 14 2HB PHE 14 -24.791 -5.074 6.093 97 2HB PHE 14 1HB PHE 14 -25.537 -4.915 4.503 98 HD1 PHE 14 HD1 PHE 14 -26.018 -2.583 3.603 99 HD2 PHE 14 HD2 PHE 14 -23.558 -3.289 7.051 100 HE1 PHE 14 HE1 PHE 14 -25.049 -0.312 3.377 101 HE2 PHE 14 HE2 PHE 14 -22.588 -1.020 6.825 102 HZ PHE 14 HZ PHE 14 -23.334 0.471 4.989 103 H MET 15 H MET 15 -27.802 -5.700 8.086 104 HA MET 15 HA MET 15 -28.051 -8.235 6.655 105 1HB MET 15 2HB MET 15 -28.135 -7.334 9.402 106 2HB MET 15 1HB MET 15 -29.519 -8.372 9.057 107 1HG MET 15 2HG MET 15 -27.745 -9.906 7.889 108 2HG MET 15 1HG MET 15 -26.584 -9.009 8.869 109 1HE MET 15 2HE MET 15 -28.973 -11.672 8.466 110 2HE MET 15 1HE MET 15 -29.562 -12.183 10.046 111 3HE MET 15 3HE MET 15 -30.213 -10.725 9.285 112 H LYS 16 H LYS 16 -29.836 -8.869 5.516 113 HA LYS 16 HA LYS 16 -32.425 -7.496 6.110 114 1HB LYS 16 2HB LYS 16 -31.229 -8.080 3.386 115 2HB LYS 16 1HB LYS 16 -32.885 -7.532 3.648 116 1HG LYS 16 2HG LYS 16 -31.950 -5.533 4.863 117 2HG LYS 16 1HG LYS 16 -30.339 -6.053 4.369 118 1HD LYS 16 2HD LYS 16 -31.130 -5.988 1.980 119 2HD LYS 16 1HD LYS 16 -32.640 -5.279 2.553 120 1HE LYS 16 2HE LYS 16 -30.042 -4.038 3.396 121 2HE LYS 16 1HE LYS 16 -30.651 -3.720 1.772 122 1HZ LYS 16 2HZ LYS 16 -32.786 -3.071 2.818 123 2HZ LYS 16 1HZ LYS 16 -32.045 -3.206 4.340 124 3HZ LYS 16 3HZ LYS 16 -31.490 -2.052 3.228 125 H ASN 17 H ASN 17 -34.300 -8.808 5.763 126 HA ASN 17 HA ASN 17 -35.414 -10.875 5.999 127 1HB ASN 17 2HB ASN 17 -34.713 -10.606 3.468 128 2HB ASN 17 1HB ASN 17 -33.612 -11.933 3.842 129 1HD2 ASN 17 1HD2 ASN 17 -35.135 -13.103 2.225 130 2HD2 ASN 17 2HD2 ASN 17 -36.534 -13.822 2.863 131 H GLY 18 H GLY 18 -33.055 -10.533 7.678 132 1HA GLY 18 1HA GLY 18 -32.714 -13.255 8.547 133 2HA GLY 18 2HA GLY 18 -31.796 -11.871 9.144 134 H LYS 19 H LYS 19 -30.891 -11.103 6.463 135 HA LYS 19 HA LYS 19 -28.818 -13.219 6.108 136 1HB LYS 19 2HB LYS 19 -30.635 -13.263 4.311 137 2HB LYS 19 1HB LYS 19 -30.045 -11.677 3.813 138 1HG LYS 19 2HG LYS 19 -27.745 -13.274 4.081 139 2HG LYS 19 1HG LYS 19 -28.927 -14.297 3.264 140 1HD LYS 19 2HD LYS 19 -29.349 -12.087 1.850 141 2HD LYS 19 1HD LYS 19 -27.703 -11.718 2.364 142 1HE LYS 19 2HE LYS 19 -27.432 -14.328 1.608 143 2HE LYS 19 1HE LYS 19 -28.676 -13.783 0.482 144 1HZ LYS 19 2HZ LYS 19 -26.109 -12.368 0.951 145 2HZ LYS 19 1HZ LYS 19 -26.387 -13.444 -0.334 146 3HZ LYS 19 3HZ LYS 19 -27.274 -12.002 -0.230 147 H LEU 20 H LEU 20 -26.758 -12.395 5.471 148 HA LEU 20 HA LEU 20 -26.423 -9.505 6.063 149 1HB LEU 20 2HB LEU 20 -24.976 -11.029 7.302 150 2HB LEU 20 1HB LEU 20 -24.416 -11.763 5.800 151 HG LEU 20 HG LEU 20 -23.723 -9.318 5.166 152 1HD1 LEU 20 3HD1 LEU 20 -24.892 -8.772 7.589 153 2HD1 LEU 20 2HD1 LEU 20 -23.190 -8.893 8.034 154 3HD1 LEU 20 1HD1 LEU 20 -23.700 -7.739 6.802 155 1HD2 LEU 20 3HD2 LEU 20 -22.266 -10.931 7.283 156 2HD2 LEU 20 2HD2 LEU 20 -22.132 -11.148 5.537 157 3HD2 LEU 20 1HD2 LEU 20 -21.534 -9.670 6.291 158 H PHE 21 H PHE 21 -26.435 -8.171 4.321 159 HA PHE 21 HA PHE 21 -25.602 -9.254 1.682 160 1HB PHE 21 2HB PHE 21 -27.120 -6.791 2.546 161 2HB PHE 21 1HB PHE 21 -26.479 -6.951 0.911 162 HD1 PHE 21 HD1 PHE 21 -28.732 -8.529 3.420 163 HD2 PHE 21 HD2 PHE 21 -27.527 -8.357 -0.699 164 HE1 PHE 21 HE1 PHE 21 -30.673 -9.940 2.794 165 HE2 PHE 21 HE2 PHE 21 -29.468 -9.768 -1.326 166 HZ PHE 21 HZ PHE 21 -31.041 -10.559 0.420 167 H CYS 22 H CYS 22 -23.405 -9.104 1.450 168 HA CYS 22 HA CYS 22 -22.058 -6.619 2.400 169 1HB CYS 22 2HB CYS 22 -20.768 -9.196 1.469 170 2HB CYS 22 1HB CYS 22 -20.000 -7.873 2.346 171 HA PRO 23 HA PRO 23 -22.382 -6.180 -2.257 172 1HB PRO 23 2HB PRO 23 -23.060 -3.565 -2.200 173 2HB PRO 23 1HB PRO 23 -24.248 -4.866 -2.096 174 1HG PRO 23 2HG PRO 23 -23.044 -3.214 0.096 175 2HG PRO 23 1HG PRO 23 -24.729 -3.694 -0.135 176 1HD PRO 23 2HD PRO 23 -23.108 -4.971 1.607 177 2HD PRO 23 1HD PRO 23 -24.375 -5.817 0.718 178 H GLN 24 H GLN 24 -20.912 -5.010 -3.620 179 HA GLN 24 HA GLN 24 -18.383 -4.356 -2.377 180 1HB GLN 24 2HB GLN 24 -19.394 -3.927 -5.205 181 2HB GLN 24 1HB GLN 24 -17.725 -3.668 -4.693 182 1HG GLN 24 2HG GLN 24 -17.523 -6.009 -4.035 183 2HG GLN 24 1HG GLN 24 -19.224 -6.290 -4.408 184 1HE2 GLN 24 1HE2 GLN 24 -17.052 -7.716 -5.711 185 2HE2 GLN 24 2HE2 GLN 24 -17.071 -7.288 -7.353 186 H ASP 25 H ASP 25 -21.179 -2.508 -3.389 187 HA ASP 25 HA ASP 25 -20.144 0.070 -3.672 188 1HB ASP 25 2HB ASP 25 -22.683 -0.816 -2.273 189 2HB ASP 25 1HB ASP 25 -22.325 0.859 -2.692 190 H LYS 26 H LYS 26 -20.756 -1.729 -0.673 191 HA LYS 26 HA LYS 26 -20.319 0.326 1.203 192 1HB LYS 26 2HB LYS 26 -20.995 -2.066 1.696 193 2HB LYS 26 1HB LYS 26 -19.302 -2.514 1.488 194 1HG LYS 26 2HG LYS 26 -18.665 -0.935 3.277 195 2HG LYS 26 1HG LYS 26 -20.358 -0.487 3.485 196 1HD LYS 26 2HD LYS 26 -20.865 -2.898 3.988 197 2HD LYS 26 1HD LYS 26 -19.132 -3.222 3.945 198 1HE LYS 26 2HE LYS 26 -19.939 -0.940 5.647 199 2HE LYS 26 1HE LYS 26 -20.489 -2.519 6.206 200 1HZ LYS 26 3HZ LYS 26 -17.686 -1.885 5.461 201 2HZ LYS 26 2HZ LYS 26 -18.277 -1.897 7.054 202 3HZ LYS 26 1HZ LYS 26 -18.252 -3.331 6.144 203 H LYS 27 H LYS 27 -18.484 1.360 1.963 204 HA LYS 27 HA LYS 27 -16.126 1.382 0.344 205 1HB LYS 27 2HB LYS 27 -15.145 2.590 2.415 206 2HB LYS 27 1HB LYS 27 -16.514 3.346 1.600 207 1HG LYS 27 2HG LYS 27 -18.020 2.734 3.283 208 2HG LYS 27 1HG LYS 27 -16.999 1.411 3.850 209 1HD LYS 27 2HD LYS 27 -15.427 2.949 4.835 210 2HD LYS 27 1HD LYS 27 -16.221 4.330 4.078 211 1HE LYS 27 2HE LYS 27 -17.895 4.381 5.631 212 2HE LYS 27 1HE LYS 27 -17.969 2.623 5.753 213 1HZ LYS 27 2HZ LYS 27 -15.828 2.737 6.981 214 2HZ LYS 27 1HZ LYS 27 -15.981 4.429 7.011 215 3HZ LYS 27 3HZ LYS 27 -17.132 3.461 7.795 216 HA PRO 28 HA PRO 28 -14.198 -2.329 1.935 217 1HB PRO 28 2HB PRO 28 -11.814 -2.004 0.708 218 2HB PRO 28 1HB PRO 28 -13.263 -2.551 -0.139 219 1HG PRO 28 2HG PRO 28 -12.040 0.178 -0.038 220 2HG PRO 28 1HG PRO 28 -12.722 -0.684 -1.420 221 1HD PRO 28 2HD PRO 28 -14.087 1.245 -0.092 222 2HD PRO 28 1HD PRO 28 -14.890 -0.124 -0.862 223 H ILE 29 H ILE 29 -13.238 -2.594 3.888 224 HA ILE 29 HA ILE 29 -11.359 -0.465 4.835 225 HB ILE 29 HB ILE 29 -13.559 -0.774 6.096 226 1HG1 ILE 29 2HG1 ILE 29 -11.416 0.220 7.036 227 2HG1 ILE 29 1HG1 ILE 29 -12.524 -0.448 8.232 228 1HG2 ILE 29 1HG2 ILE 29 -12.782 -3.478 5.950 229 2HG2 ILE 29 3HG2 ILE 29 -12.601 -3.029 7.645 230 3HG2 ILE 29 2HG2 ILE 29 -14.153 -2.817 6.838 231 1HD1 ILE 29 1HD1 ILE 29 -10.897 -2.609 7.474 232 2HD1 ILE 29 3HD1 ILE 29 -9.798 -1.238 7.618 233 3HD1 ILE 29 2HD1 ILE 29 -10.810 -1.704 8.984 234 H GLN 30 H GLN 30 -9.390 -1.195 5.809 235 HA GLN 30 HA GLN 30 -8.555 -3.864 4.940 236 1HB GLN 30 2HB GLN 30 -6.845 -2.239 4.762 237 2HB GLN 30 1HB GLN 30 -7.176 -1.585 6.366 238 1HG GLN 30 2HG GLN 30 -6.234 -3.502 7.441 239 2HG GLN 30 1HG GLN 30 -6.209 -4.421 5.936 240 1HE2 GLN 30 1HE2 GLN 30 -3.821 -4.688 6.319 241 2HE2 GLN 30 2HE2 GLN 30 -2.769 -3.417 5.919 242 H SER 31 H SER 31 -9.241 -5.558 6.116 243 HA SER 31 HA SER 31 -9.922 -5.297 8.939 244 1HB SER 31 2HB SER 31 -11.034 -7.252 8.625 245 2HB SER 31 1HB SER 31 -10.766 -6.924 6.909 246 HG SER 31 HG SER 31 -8.711 -8.071 7.240 247 H LEU 32 H LEU 32 -9.003 -6.959 10.530 248 HA LEU 32 HA LEU 32 -6.043 -7.136 10.128 249 1HB LEU 32 2HB LEU 32 -5.864 -7.032 12.585 250 2HB LEU 32 1HB LEU 32 -6.745 -5.633 11.967 251 HG LEU 32 HG LEU 32 -8.803 -7.363 12.331 252 1HD1 LEU 32 3HD1 LEU 32 -6.670 -8.057 14.361 253 2HD1 LEU 32 2HD1 LEU 32 -8.383 -8.389 14.619 254 3HD1 LEU 32 1HD1 LEU 32 -7.528 -9.156 13.280 255 1HD2 LEU 32 1HD2 LEU 32 -8.648 -5.054 13.186 256 2HD2 LEU 32 3HD2 LEU 32 -9.240 -6.153 14.432 257 3HD2 LEU 32 2HD2 LEU 32 -7.564 -5.602 14.466 258 H ASP 33 H ASP 33 -8.677 -9.068 9.979 259 HA ASP 33 HA ASP 33 -7.636 -11.313 11.579 260 1HB ASP 33 2HB ASP 33 -10.039 -10.876 9.826 261 2HB ASP 33 1HB ASP 33 -9.591 -12.502 10.339 262 H GLY 34 H GLY 34 -6.353 -10.060 9.018 263 1HA GLY 34 1HA GLY 34 -5.577 -12.673 7.867 264 2HA GLY 34 2HA GLY 34 -4.756 -11.137 7.581 265 H ILE 35 H ILE 35 -8.121 -10.837 7.412 266 HA ILE 35 HA ILE 35 -8.183 -11.338 4.480 267 HB ILE 35 HB ILE 35 -10.428 -10.760 6.442 268 1HG1 ILE 35 2HG1 ILE 35 -9.986 -13.360 5.004 269 2HG1 ILE 35 1HG1 ILE 35 -9.081 -13.019 6.478 270 1HG2 ILE 35 3HG2 ILE 35 -10.302 -11.187 3.477 271 2HG2 ILE 35 2HG2 ILE 35 -11.700 -11.788 4.366 272 3HG2 ILE 35 1HG2 ILE 35 -11.306 -10.070 4.403 273 1HD1 ILE 35 2HD1 ILE 35 -12.021 -12.497 6.528 274 2HD1 ILE 35 1HD1 ILE 35 -11.498 -14.181 6.540 275 3HD1 ILE 35 3HD1 ILE 35 -10.962 -13.083 7.811 276 H MET 36 H MET 36 -9.405 -9.599 3.196 277 HA MET 36 HA MET 36 -8.712 -6.901 4.294 278 1HB MET 36 2HB MET 36 -8.828 -7.684 1.370 279 2HB MET 36 1HB MET 36 -8.210 -6.180 2.052 280 1HG MET 36 2HG MET 36 -6.460 -7.502 3.257 281 2HG MET 36 1HG MET 36 -7.036 -8.950 2.432 282 1HE MET 36 3HE MET 36 -6.510 -5.408 2.011 283 2HE MET 36 2HE MET 36 -4.967 -5.274 1.172 284 3HE MET 36 1HE MET 36 -6.469 -5.226 0.252 285 H PHE 37 H PHE 37 -10.479 -5.701 4.703 286 HA PHE 37 HA PHE 37 -12.653 -4.848 4.579 287 1HB PHE 37 2HB PHE 37 -13.145 -5.669 1.807 288 2HB PHE 37 1HB PHE 37 -13.187 -4.067 2.532 289 HD1 PHE 37 HD1 PHE 37 -11.029 -2.829 2.922 290 HD2 PHE 37 HD2 PHE 37 -11.228 -6.427 0.597 291 HE1 PHE 37 HE1 PHE 37 -8.822 -2.303 1.940 292 HE2 PHE 37 HE2 PHE 37 -9.020 -5.901 -0.402 293 HZ PHE 37 HZ PHE 37 -7.814 -3.839 0.269 294 H ILE 38 H ILE 38 -13.036 -7.472 2.204 295 HA ILE 38 HA ILE 38 -15.544 -8.343 2.901 296 HB ILE 38 HB ILE 38 -15.025 -10.465 1.955 297 1HG1 ILE 38 2HG1 ILE 38 -12.112 -9.903 2.585 298 2HG1 ILE 38 1HG1 ILE 38 -13.152 -10.974 3.524 299 1HG2 ILE 38 2HG2 ILE 38 -14.558 -8.282 0.585 300 2HG2 ILE 38 1HG2 ILE 38 -12.868 -8.768 0.723 301 3HG2 ILE 38 3HG2 ILE 38 -14.031 -9.833 -0.068 302 1HD1 ILE 38 1HD1 ILE 38 -13.611 -12.139 1.233 303 2HD1 ILE 38 3HD1 ILE 38 -12.142 -11.318 0.708 304 3HD1 ILE 38 2HD1 ILE 38 -12.081 -12.460 2.050 305 H ASN 39 H ASN 39 -12.629 -8.748 4.793 306 HA ASN 39 HA ASN 39 -13.191 -10.828 6.519 307 1HB ASN 39 2HB ASN 39 -11.263 -9.117 6.631 308 2HB ASN 39 1HB ASN 39 -12.362 -8.135 7.598 309 1HD2 ASN 39 1HD2 ASN 39 -11.871 -8.439 9.783 310 2HD2 ASN 39 2HD2 ASN 39 -11.502 -9.934 10.496 311 H LYS 40 H LYS 40 -14.309 -7.466 7.090 312 HA LYS 40 HA LYS 40 -15.925 -7.853 9.287 313 1HB LYS 40 2HB LYS 40 -16.538 -6.195 6.827 314 2HB LYS 40 1HB LYS 40 -17.444 -6.082 8.335 315 1HG LYS 40 2HG LYS 40 -15.185 -5.658 9.477 316 2HG LYS 40 1HG LYS 40 -14.538 -5.408 7.854 317 1HD LYS 40 2HD LYS 40 -16.195 -3.639 7.449 318 2HD LYS 40 1HD LYS 40 -16.893 -3.909 9.045 319 1HE LYS 40 2HE LYS 40 -15.113 -2.923 10.141 320 2HE LYS 40 1HE LYS 40 -13.960 -3.357 8.879 321 1HZ LYS 40 3HZ LYS 40 -15.754 -1.695 7.650 322 2HZ LYS 40 2HZ LYS 40 -15.510 -0.982 9.173 323 3HZ LYS 40 1HZ LYS 40 -14.187 -1.286 8.152 324 H CYS 41 H CYS 41 -16.780 -8.587 5.927 325 HA CYS 41 HA CYS 41 -19.446 -9.506 6.535 326 1HB CYS 41 2HB CYS 41 -18.573 -8.823 4.253 327 2HB CYS 41 1HB CYS 41 -17.706 -10.353 4.208 328 H ALA 42 H ALA 42 -16.452 -11.277 5.742 329 HA ALA 42 HA ALA 42 -17.522 -13.861 6.387 330 1HB ALA 42 2HB ALA 42 -15.500 -13.468 4.974 331 2HB ALA 42 1HB ALA 42 -14.623 -12.989 6.427 332 3HB ALA 42 3HB ALA 42 -15.224 -14.638 6.264 333 H THR 43 H THR 43 -16.333 -11.289 8.383 334 HA THR 43 HA THR 43 -15.966 -13.164 10.667 335 HB THR 43 HB THR 43 -15.131 -11.063 11.832 336 HG1 THR 43 HG1 THR 43 -16.051 -9.497 10.580 337 1HG2 THR 43 2HG2 THR 43 -13.613 -12.722 10.799 338 2HG2 THR 43 1HG2 THR 43 -13.734 -11.862 9.264 339 3HG2 THR 43 3HG2 THR 43 -12.977 -11.083 10.653 340 H CYS 44 H CYS 44 -17.735 -10.187 9.799 341 HA CYS 44 HA CYS 44 -19.259 -9.997 12.187 342 1HB CYS 44 2HB CYS 44 -19.175 -8.194 10.505 343 2HB CYS 44 1HB CYS 44 -20.068 -9.209 9.373 344 H LYS 45 H LYS 45 -19.729 -11.977 9.290 345 HA LYS 45 HA LYS 45 -22.419 -12.749 9.752 346 1HB LYS 45 2HB LYS 45 -20.081 -14.046 8.388 347 2HB LYS 45 1HB LYS 45 -21.558 -14.977 8.635 348 1HG LYS 45 2HG LYS 45 -22.773 -12.921 7.626 349 2HG LYS 45 1HG LYS 45 -21.178 -12.440 7.048 350 1HD LYS 45 2HD LYS 45 -21.030 -14.870 6.127 351 2HD LYS 45 1HD LYS 45 -22.782 -14.890 6.334 352 1HE LYS 45 2HE LYS 45 -22.954 -12.844 4.940 353 2HE LYS 45 1HE LYS 45 -21.206 -12.872 4.705 354 1HZ LYS 45 3HZ LYS 45 -22.390 -15.394 4.113 355 2HZ LYS 45 2HZ LYS 45 -23.079 -14.157 3.174 356 3HZ LYS 45 1HZ LYS 45 -21.400 -14.416 3.144 357 H MET 46 H MET 46 -19.416 -13.920 11.185 358 HA MET 46 HA MET 46 -20.839 -16.007 12.699 359 1HB MET 46 2HB MET 46 -17.954 -15.062 12.735 360 2HB MET 46 1HB MET 46 -18.572 -16.379 13.732 361 1HG MET 46 2HG MET 46 -18.589 -16.267 10.700 362 2HG MET 46 1HG MET 46 -17.558 -17.291 11.698 363 1HE MET 46 1HE MET 46 -18.393 -18.413 13.575 364 2HE MET 46 3HE MET 46 -20.089 -18.714 13.978 365 3HE MET 46 2HE MET 46 -19.170 -19.911 13.070 366 H ILE 47 H ILE 47 -19.477 -12.795 13.164 367 HA ILE 47 HA ILE 47 -19.914 -12.795 16.050 368 HB ILE 47 HB ILE 47 -19.510 -10.419 14.207 369 1HG1 ILE 47 1HG1 ILE 47 -17.392 -11.980 15.708 370 2HG1 ILE 47 2HG1 ILE 47 -17.743 -12.226 13.999 371 1HG2 ILE 47 1HG2 ILE 47 -19.455 -10.888 17.162 372 2HG2 ILE 47 3HG2 ILE 47 -18.322 -9.718 16.483 373 3HG2 ILE 47 2HG2 ILE 47 -20.058 -9.497 16.260 374 1HD1 ILE 47 2HD1 ILE 47 -17.474 -9.413 14.464 375 2HD1 ILE 47 1HD1 ILE 47 -16.084 -10.228 15.182 376 3HD1 ILE 47 3HD1 ILE 47 -16.454 -10.457 13.473 377 H LEU 48 H LEU 48 -21.828 -12.269 13.232 378 HA LEU 48 HA LEU 48 -23.790 -10.475 14.341 379 1HB LEU 48 2HB LEU 48 -23.387 -11.348 11.856 380 2HB LEU 48 1HB LEU 48 -24.558 -12.569 12.337 381 HG LEU 48 HG LEU 48 -25.927 -10.888 11.456 382 1HD1 LEU 48 2HD1 LEU 48 -26.635 -11.465 13.756 383 2HD1 LEU 48 1HD1 LEU 48 -25.653 -10.142 14.384 384 3HD1 LEU 48 3HD1 LEU 48 -27.044 -9.797 13.355 385 1HD2 LEU 48 2HD2 LEU 48 -23.672 -9.226 12.080 386 2HD2 LEU 48 1HD2 LEU 48 -25.027 -8.881 11.004 387 3HD2 LEU 48 3HD2 LEU 48 -25.131 -8.468 12.716 388 H GLU 49 H GLU 49 -23.413 -13.996 14.307 389 HA GLU 49 HA GLU 49 -25.981 -14.592 15.466 390 1HB GLU 49 2HB GLU 49 -23.386 -16.161 15.591 391 2HB GLU 49 1HB GLU 49 -24.981 -16.793 15.998 392 1HG GLU 49 2HG GLU 49 -25.748 -16.313 13.692 393 2HG GLU 49 1HG GLU 49 -24.138 -15.713 13.290 394 H LYS 50 H LYS 50 -22.824 -13.787 16.834 395 HA LYS 50 HA LYS 50 -23.351 -14.487 19.540 396 1HB LYS 50 2HB LYS 50 -21.685 -12.170 18.509 397 2HB LYS 50 1HB LYS 50 -21.571 -12.898 20.110 398 1HG LYS 50 2HG LYS 50 -21.095 -14.376 17.504 399 2HG LYS 50 1HG LYS 50 -19.819 -13.747 18.547 400 1HD LYS 50 2HD LYS 50 -20.757 -15.141 20.419 401 2HD LYS 50 1HD LYS 50 -21.876 -15.858 19.260 402 1HE LYS 50 2HE LYS 50 -19.903 -17.294 19.518 403 2HE LYS 50 1HE LYS 50 -19.942 -16.611 17.893 404 1HZ LYS 50 2HZ LYS 50 -18.396 -15.472 20.157 405 2HZ LYS 50 1HZ LYS 50 -17.739 -16.477 18.955 406 3HZ LYS 50 3HZ LYS 50 -18.360 -14.955 18.539 407 H GLU 51 H GLU 51 -24.146 -11.574 17.682 408 HA GLU 51 HA GLU 51 -25.066 -9.983 19.864 409 1HB GLU 51 2HB GLU 51 -25.985 -10.026 16.972 410 2HB GLU 51 1HB GLU 51 -26.366 -8.753 18.132 411 1HG GLU 51 2HG GLU 51 -23.942 -8.328 18.439 412 2HG GLU 51 1HG GLU 51 -23.583 -9.572 17.242 413 H ALA 52 H ALA 52 -26.608 -12.544 17.995 414 HA ALA 52 HA ALA 52 -29.294 -12.103 18.848 415 1HB ALA 52 3HB ALA 52 -29.761 -14.130 17.852 416 2HB ALA 52 1HB ALA 52 -28.321 -14.904 18.514 417 3HB ALA 52 2HB ALA 52 -28.184 -13.829 17.123 418 H LYS 53 H LYS 53 -26.530 -13.509 20.459 419 HA LYS 53 HA LYS 53 -27.837 -15.013 22.477 420 1HB LYS 53 2HB LYS 53 -25.278 -13.392 22.640 421 2HB LYS 53 1HB LYS 53 -25.787 -14.587 23.833 422 1HG LYS 53 2HG LYS 53 -25.828 -16.314 22.035 423 2HG LYS 53 1HG LYS 53 -25.221 -15.109 20.898 424 1HD LYS 53 2HD LYS 53 -23.227 -14.788 22.369 425 2HD LYS 53 1HD LYS 53 -23.820 -16.087 23.405 426 1HE LYS 53 2HE LYS 53 -23.634 -16.691 20.498 427 2HE LYS 53 1HE LYS 53 -22.107 -16.521 21.363 428 1HZ LYS 53 3HZ LYS 53 -24.274 -18.171 22.484 429 2HZ LYS 53 2HZ LYS 53 -23.250 -18.808 21.288 430 3HZ LYS 53 1HZ LYS 53 -22.604 -18.267 22.764 431 H SER 54 H SER 54 -27.351 -11.544 22.134 432 HA SER 54 HA SER 54 -27.945 -10.738 24.791 433 1HB SER 54 2HB SER 54 -28.739 -9.293 22.246 434 2HB SER 54 1HB SER 54 -28.505 -8.574 23.840 435 HG SER 54 HG SER 54 -26.457 -8.502 23.468 436 H GLN 55 H GLN 55 -30.019 -11.875 22.207 437 HA GLN 55 HA GLN 55 -32.488 -10.982 23.485 438 1HB GLN 55 2HB GLN 55 -32.297 -11.335 21.021 439 2HB GLN 55 1HB GLN 55 -32.087 -13.062 21.313 440 1HG GLN 55 2HG GLN 55 -34.290 -13.152 22.413 441 2HG GLN 55 1HG GLN 55 -34.500 -11.421 22.148 442 1HE2 GLN 55 1HE2 GLN 55 -36.430 -13.035 21.011 443 2HE2 GLN 55 2HE2 GLN 55 -36.216 -13.137 19.331 No H/Q in entry = 443 Start of MODEL 22 1 H1 LYS 1 3H LYS 1 5.407 -19.708 -23.099 2 H2 LYS 1 2H LYS 1 6.319 -21.115 -23.370 3 H3 LYS 1 1H LYS 1 4.689 -21.050 -23.846 4 HA LYS 1 HA LYS 1 4.277 -22.090 -21.926 5 1HB LYS 1 2HB LYS 1 6.765 -22.437 -21.665 6 2HB LYS 1 1HB LYS 1 6.823 -20.916 -20.772 7 1HG LYS 1 2HG LYS 1 5.185 -21.822 -19.148 8 2HG LYS 1 1HG LYS 1 5.165 -23.348 -20.032 9 1HD LYS 1 2HD LYS 1 7.639 -23.532 -19.645 10 2HD LYS 1 1HD LYS 1 7.543 -22.093 -18.630 11 1HE LYS 1 2HE LYS 1 5.492 -23.783 -17.711 12 2HE LYS 1 1HE LYS 1 6.879 -24.840 -17.973 13 1HZ LYS 1 2HZ LYS 1 8.149 -22.947 -16.773 14 2HZ LYS 1 1HZ LYS 1 6.616 -22.535 -16.169 15 3HZ LYS 1 3HZ LYS 1 7.262 -24.072 -15.861 16 H ASN 2 H ASN 2 6.008 -19.198 -20.728 17 HA ASN 2 HA ASN 2 3.499 -18.398 -19.347 18 1HB ASN 2 2HB ASN 2 5.698 -18.569 -18.090 19 2HB ASN 2 1HB ASN 2 6.261 -17.192 -19.038 20 1HD2 ASN 2 1HD2 ASN 2 6.346 -16.138 -16.779 21 2HD2 ASN 2 2HD2 ASN 2 4.921 -15.428 -16.191 22 H GLU 3 H GLU 3 2.301 -16.748 -20.164 23 HA GLU 3 HA GLU 3 3.103 -15.380 -22.580 24 1HB GLU 3 2HB GLU 3 0.833 -14.836 -20.642 25 2HB GLU 3 1HB GLU 3 1.018 -14.053 -22.211 26 1HG GLU 3 2HG GLU 3 0.947 -16.272 -23.312 27 2HG GLU 3 1HG GLU 3 0.723 -17.036 -21.738 28 H ASP 4 H ASP 4 3.142 -14.556 -19.144 29 HA ASP 4 HA ASP 4 3.611 -11.774 -19.345 30 1HB ASP 4 2HB ASP 4 3.244 -13.115 -17.217 31 2HB ASP 4 1HB ASP 4 4.935 -13.609 -17.331 32 H GLN 5 H GLN 5 5.736 -14.494 -19.951 33 HA GLN 5 HA GLN 5 8.219 -13.043 -19.877 34 1HB GLN 5 2HB GLN 5 7.418 -15.553 -21.379 35 2HB GLN 5 1HB GLN 5 9.071 -14.948 -21.272 36 1HG GLN 5 2HG GLN 5 9.026 -15.155 -18.837 37 2HG GLN 5 1HG GLN 5 7.336 -15.657 -18.886 38 1HE2 GLN 5 1HE2 GLN 5 9.383 -17.345 -17.768 39 2HE2 GLN 5 2HE2 GLN 5 9.540 -18.713 -18.761 40 H GLU 6 H GLU 6 5.793 -13.582 -22.393 41 HA GLU 6 HA GLU 6 7.281 -12.638 -24.620 42 1HB GLU 6 2HB GLU 6 4.983 -13.711 -24.673 43 2HB GLU 6 1HB GLU 6 4.327 -12.158 -24.154 44 1HG GLU 6 2HG GLU 6 5.306 -11.072 -26.137 45 2HG GLU 6 1HG GLU 6 5.988 -12.615 -26.652 46 H MET 7 H MET 7 5.121 -10.826 -22.413 47 HA MET 7 HA MET 7 5.536 -8.260 -23.541 48 1HB MET 7 2HB MET 7 5.059 -9.015 -20.641 49 2HB MET 7 1HB MET 7 4.889 -7.390 -21.304 50 1HG MET 7 2HG MET 7 3.309 -9.842 -22.139 51 2HG MET 7 1HG MET 7 2.696 -8.470 -21.215 52 1HE MET 7 1HE MET 7 3.406 -6.264 -21.810 53 2HE MET 7 3HE MET 7 3.986 -5.708 -23.386 54 3HE MET 7 2HE MET 7 2.263 -5.688 -23.021 55 H CYS 8 H CYS 8 7.644 -10.252 -21.636 56 HA CYS 8 HA CYS 8 9.356 -8.127 -20.673 57 1HB CYS 8 2HB CYS 8 9.856 -11.092 -21.054 58 2HB CYS 8 1HB CYS 8 10.978 -9.992 -20.254 59 H HIS 9 H HIS 9 9.274 -10.126 -23.586 60 HA HIS 9 HA HIS 9 11.792 -9.672 -24.677 61 1HB HIS 9 2HB HIS 9 10.379 -10.972 -26.028 62 2HB HIS 9 1HB HIS 9 9.043 -9.830 -25.899 63 HD1 HIS 9 HD1 HIS 9 9.673 -7.362 -27.056 64 HD2 HIS 9 HD2 HIS 9 11.710 -10.726 -28.437 65 HE1 HIS 9 HE1 HIS 9 10.630 -6.740 -29.312 66 H GLU 10 H GLU 10 9.026 -7.446 -24.588 67 HA GLU 10 HA GLU 10 10.342 -5.335 -26.046 68 1HB GLU 10 2HB GLU 10 7.884 -5.453 -25.806 69 2HB GLU 10 1HB GLU 10 8.044 -5.183 -24.071 70 1HG GLU 10 2HG GLU 10 9.267 -3.027 -24.634 71 2HG GLU 10 1HG GLU 10 8.775 -3.278 -26.309 72 H PHE 11 H PHE 11 10.328 -6.316 -22.663 73 HA PHE 11 HA PHE 11 11.549 -3.789 -21.807 74 1HB PHE 11 2HB PHE 11 10.196 -5.934 -20.519 75 2HB PHE 11 1HB PHE 11 11.825 -5.874 -19.846 76 HD1 PHE 11 HD1 PHE 11 12.244 -2.859 -20.363 77 HD2 PHE 11 HD2 PHE 11 9.038 -5.080 -18.559 78 HE1 PHE 11 HE1 PHE 11 11.614 -0.871 -19.036 79 HE2 PHE 11 HE2 PHE 11 8.411 -3.087 -17.225 80 HZ PHE 11 HZ PHE 11 9.699 -0.980 -17.462 81 H GLN 12 H GLN 12 12.581 -6.886 -22.951 82 HA GLN 12 HA GLN 12 15.188 -6.958 -21.753 83 1HB GLN 12 2HB GLN 12 14.155 -8.108 -24.362 84 2HB GLN 12 1HB GLN 12 15.747 -8.465 -23.691 85 1HG GLN 12 2HG GLN 12 14.733 -9.403 -21.680 86 2HG GLN 12 1HG GLN 12 13.125 -8.945 -22.242 87 1HE2 GLN 12 1HE2 GLN 12 13.721 -11.673 -21.688 88 2HE2 GLN 12 2HE2 GLN 12 13.732 -12.539 -23.148 89 H ALA 13 H ALA 13 13.896 -5.356 -24.626 90 HA ALA 13 HA ALA 13 16.404 -4.597 -25.781 91 1HB ALA 13 3HB ALA 13 13.809 -4.324 -26.547 92 2HB ALA 13 2HB ALA 13 14.155 -2.678 -26.015 93 3HB ALA 13 1HB ALA 13 15.136 -3.421 -27.278 94 H PHE 14 H PHE 14 14.328 -3.053 -23.344 95 HA PHE 14 HA PHE 14 16.040 -0.709 -23.099 96 1HB PHE 14 2HB PHE 14 13.892 -1.810 -21.258 97 2HB PHE 14 1HB PHE 14 14.658 -0.231 -21.086 98 HD1 PHE 14 HD1 PHE 14 14.613 1.298 -23.231 99 HD2 PHE 14 HD2 PHE 14 11.949 -1.999 -22.540 100 HE1 PHE 14 HE1 PHE 14 13.006 2.256 -24.858 101 HE2 PHE 14 HE2 PHE 14 10.342 -1.041 -24.165 102 HZ PHE 14 HZ PHE 14 10.870 1.086 -25.326 103 H MET 15 H MET 15 16.356 -3.914 -22.129 104 HA MET 15 HA MET 15 17.695 -3.419 -19.580 105 1HB MET 15 2HB MET 15 16.460 -5.558 -20.230 106 2HB MET 15 1HB MET 15 17.841 -5.931 -21.260 107 1HG MET 15 2HG MET 15 19.307 -5.612 -19.206 108 2HG MET 15 1HG MET 15 17.823 -5.571 -18.254 109 1HE MET 15 2HE MET 15 19.343 -7.088 -21.183 110 2HE MET 15 1HE MET 15 20.284 -8.273 -20.281 111 3HE MET 15 3HE MET 15 18.880 -8.787 -21.227 112 H LYS 16 H LYS 16 19.813 -2.880 -19.351 113 HA LYS 16 HA LYS 16 21.693 -3.533 -21.572 114 1HB LYS 16 2HB LYS 16 21.460 -0.843 -20.186 115 2HB LYS 16 1HB LYS 16 22.705 -1.281 -21.355 116 1HG LYS 16 2HG LYS 16 20.929 -1.713 -23.043 117 2HG LYS 16 1HG LYS 16 19.717 -1.191 -21.873 118 1HD LYS 16 2HD LYS 16 20.858 1.020 -21.730 119 2HD LYS 16 1HD LYS 16 21.990 0.491 -22.974 120 1HE LYS 16 2HE LYS 16 19.048 1.069 -23.218 121 2HE LYS 16 1HE LYS 16 20.377 1.631 -24.232 122 1HZ LYS 16 2HZ LYS 16 20.678 -0.681 -24.977 123 2HZ LYS 16 1HZ LYS 16 19.302 -1.133 -24.090 124 3HZ LYS 16 3HZ LYS 16 19.154 -0.054 -25.390 125 H ASN 17 H ASN 17 23.826 -3.954 -20.866 126 HA ASN 17 HA ASN 17 25.428 -4.719 -19.326 127 1HB ASN 17 2HB ASN 17 25.157 -2.150 -18.832 128 2HB ASN 17 1HB ASN 17 24.367 -2.710 -17.358 129 1HD2 ASN 17 1HD2 ASN 17 26.699 -1.371 -16.902 130 2HD2 ASN 17 2HD2 ASN 17 27.966 -2.437 -16.524 131 H GLY 18 H GLY 18 22.656 -5.841 -19.254 132 1HA GLY 18 1HA GLY 18 22.947 -7.324 -16.753 133 2HA GLY 18 2HA GLY 18 21.693 -7.578 -17.968 134 H LYS 19 H LYS 19 21.778 -4.327 -17.388 135 HA LYS 19 HA LYS 19 20.029 -4.396 -14.996 136 1HB LYS 19 2HB LYS 19 21.929 -2.702 -15.344 137 2HB LYS 19 1HB LYS 19 20.897 -1.965 -16.569 138 1HG LYS 19 2HG LYS 19 19.166 -2.272 -14.439 139 2HG LYS 19 1HG LYS 19 20.685 -1.875 -13.637 140 1HD LYS 19 2HD LYS 19 19.749 -0.283 -16.019 141 2HD LYS 19 1HD LYS 19 19.141 0.080 -14.403 142 1HE LYS 19 2HE LYS 19 21.843 -0.145 -13.949 143 2HE LYS 19 1HE LYS 19 21.807 0.570 -15.561 144 1HZ LYS 19 2HZ LYS 19 19.893 1.940 -14.208 145 2HZ LYS 19 1HZ LYS 19 21.106 1.729 -13.036 146 3HZ LYS 19 3HZ LYS 19 21.474 2.486 -14.509 147 H LEU 20 H LEU 20 17.887 -3.461 -15.081 148 HA LEU 20 HA LEU 20 16.712 -3.532 -17.826 149 1HB LEU 20 2HB LEU 20 15.738 -5.202 -16.357 150 2HB LEU 20 1HB LEU 20 15.457 -3.993 -15.104 151 HG LEU 20 HG LEU 20 14.032 -2.757 -16.852 152 1HD1 LEU 20 1HD1 LEU 20 15.077 -4.557 -18.588 153 2HD1 LEU 20 3HD1 LEU 20 13.572 -5.375 -18.169 154 3HD1 LEU 20 2HD1 LEU 20 13.532 -3.749 -18.851 155 1HD2 LEU 20 3HD2 LEU 20 13.197 -5.475 -15.800 156 2HD2 LEU 20 2HD2 LEU 20 13.016 -3.926 -14.977 157 3HD2 LEU 20 1HD2 LEU 20 12.078 -4.267 -16.431 158 H PHE 21 H PHE 21 16.559 -1.462 -18.584 159 HA PHE 21 HA PHE 21 16.134 0.786 -16.742 160 1HB PHE 21 2HB PHE 21 16.385 0.599 -19.756 161 2HB PHE 21 1HB PHE 21 16.110 2.117 -18.901 162 HD1 PHE 21 HD1 PHE 21 18.378 -0.874 -18.811 163 HD2 PHE 21 HD2 PHE 21 17.955 3.355 -18.192 164 HE1 PHE 21 HE1 PHE 21 20.805 -0.701 -18.331 165 HE2 PHE 21 HE2 PHE 21 20.381 3.528 -17.713 166 HZ PHE 21 HZ PHE 21 21.807 1.500 -17.782 167 H CYS 22 H CYS 22 14.077 0.960 -15.945 168 HA CYS 22 HA CYS 22 11.811 0.489 -17.826 169 1HB CYS 22 2HB CYS 22 11.705 0.662 -14.807 170 2HB CYS 22 1HB CYS 22 10.434 0.092 -15.888 171 HA PRO 23 HA PRO 23 11.889 5.097 -17.334 172 1HB PRO 23 2HB PRO 23 11.184 5.611 -19.889 173 2HB PRO 23 1HB PRO 23 12.856 5.336 -19.396 174 1HG PRO 23 2HG PRO 23 10.926 3.460 -20.699 175 2HG PRO 23 1HG PRO 23 12.648 3.684 -21.017 176 1HD PRO 23 2HD PRO 23 11.674 1.626 -19.526 177 2HD PRO 23 1HD PRO 23 13.276 2.319 -19.275 178 H GLN 24 H GLN 24 10.011 6.628 -18.281 179 HA GLN 24 HA GLN 24 7.506 5.468 -17.278 180 1HB GLN 24 2HB GLN 24 8.228 8.223 -18.316 181 2HB GLN 24 1HB GLN 24 6.617 7.788 -17.744 182 1HG GLN 24 2HG GLN 24 9.140 7.490 -16.088 183 2HG GLN 24 1HG GLN 24 8.052 8.874 -15.985 184 1HE2 GLN 24 1HE2 GLN 24 8.722 6.120 -14.350 185 2HE2 GLN 24 2HE2 GLN 24 7.177 5.718 -13.773 186 H ASP 25 H ASP 25 6.136 4.398 -18.617 187 HA ASP 25 HA ASP 25 6.387 4.799 -21.543 188 1HB ASP 25 2HB ASP 25 6.335 2.488 -20.607 189 2HB ASP 25 1HB ASP 25 4.710 2.799 -19.997 190 H LYS 26 H LYS 26 4.890 5.939 -22.693 191 HA LYS 26 HA LYS 26 2.828 7.425 -21.335 192 1HB LYS 26 2HB LYS 26 3.954 8.189 -23.431 193 2HB LYS 26 1HB LYS 26 3.129 6.900 -24.307 194 1HG LYS 26 2HG LYS 26 0.943 7.848 -23.577 195 2HG LYS 26 1HG LYS 26 1.806 9.174 -22.797 196 1HD LYS 26 2HD LYS 26 2.834 9.729 -25.020 197 2HD LYS 26 1HD LYS 26 1.806 8.498 -25.754 198 1HE LYS 26 2HE LYS 26 -0.173 9.694 -25.267 199 2HE LYS 26 1HE LYS 26 0.630 10.703 -24.064 200 1HZ LYS 26 1HZ LYS 26 1.175 10.752 -26.983 201 2HZ LYS 26 3HZ LYS 26 0.245 11.894 -26.142 202 3HZ LYS 26 2HZ LYS 26 1.906 11.745 -25.814 203 H LYS 27 H LYS 27 2.886 4.397 -23.125 204 HA LYS 27 HA LYS 27 -0.056 4.178 -23.044 205 1HB LYS 27 2HB LYS 27 2.181 2.664 -24.311 206 2HB LYS 27 1HB LYS 27 0.712 1.763 -23.931 207 1HG LYS 27 2HG LYS 27 -0.173 2.588 -25.836 208 2HG LYS 27 1HG LYS 27 -0.193 4.169 -25.054 209 1HD LYS 27 2HD LYS 27 1.070 4.618 -26.964 210 2HD LYS 27 1HD LYS 27 2.334 4.244 -25.792 211 1HE LYS 27 2HE LYS 27 3.014 2.499 -27.041 212 2HE LYS 27 1HE LYS 27 1.398 1.796 -26.978 213 1HZ LYS 27 3HZ LYS 27 0.859 3.542 -28.761 214 2HZ LYS 27 2HZ LYS 27 2.542 3.631 -28.981 215 3HZ LYS 27 1HZ LYS 27 1.727 2.159 -29.220 216 HA PRO 28 HA PRO 28 0.246 2.282 -18.975 217 1HB PRO 28 2HB PRO 28 -2.395 1.787 -18.696 218 2HB PRO 28 1HB PRO 28 -1.687 3.388 -18.466 219 1HG PRO 28 2HG PRO 28 -3.111 2.268 -20.851 220 2HG PRO 28 1HG PRO 28 -3.271 3.864 -20.109 221 1HD PRO 28 1HD PRO 28 -1.801 3.457 -22.342 222 2HD PRO 28 2HD PRO 28 -1.369 4.676 -21.141 223 H ILE 29 H ILE 29 0.305 0.159 -18.244 224 HA ILE 29 HA ILE 29 -0.716 -1.931 -20.124 225 HB ILE 29 HB ILE 29 1.969 -1.555 -18.907 226 1HG1 ILE 29 2HG1 ILE 29 1.372 -1.470 -21.366 227 2HG1 ILE 29 1HG1 ILE 29 2.678 -2.586 -20.961 228 1HG2 ILE 29 2HG2 ILE 29 1.091 -3.558 -17.669 229 2HG2 ILE 29 1HG2 ILE 29 0.814 -4.343 -19.224 230 3HG2 ILE 29 3HG2 ILE 29 2.456 -3.934 -18.722 231 1HD1 ILE 29 2HD1 ILE 29 0.221 -4.001 -20.668 232 2HD1 ILE 29 1HD1 ILE 29 0.170 -3.169 -22.223 233 3HD1 ILE 29 3HD1 ILE 29 1.494 -4.276 -21.858 234 H GLN 30 H GLN 30 -2.369 -2.988 -19.126 235 HA GLN 30 HA GLN 30 -2.577 -2.947 -16.196 236 1HB GLN 30 2HB GLN 30 -4.326 -4.371 -18.223 237 2HB GLN 30 1HB GLN 30 -4.716 -4.056 -16.531 238 1HG GLN 30 2HG GLN 30 -4.572 -1.615 -16.976 239 2HG GLN 30 1HG GLN 30 -4.256 -1.961 -18.677 240 1HE2 GLN 30 1HE2 GLN 30 -6.626 -0.546 -17.518 241 2HE2 GLN 30 2HE2 GLN 30 -7.981 -1.450 -17.994 242 H SER 31 H SER 31 -0.887 -4.245 -15.432 243 HA SER 31 HA SER 31 -0.408 -6.899 -16.555 244 1HB SER 31 2HB SER 31 1.095 -5.112 -15.067 245 2HB SER 31 1HB SER 31 0.711 -6.380 -13.897 246 HG SER 31 HG SER 31 1.305 -7.707 -15.995 247 H LEU 32 H LEU 32 -0.075 -8.563 -14.415 248 HA LEU 32 HA LEU 32 -2.813 -8.659 -13.209 249 1HB LEU 32 2HB LEU 32 -2.119 -11.268 -13.223 250 2HB LEU 32 1HB LEU 32 -2.973 -10.501 -14.561 251 HG LEU 32 HG LEU 32 -0.747 -10.012 -15.620 252 1HD1 LEU 32 3HD1 LEU 32 0.136 -11.210 -13.069 253 2HD1 LEU 32 2HD1 LEU 32 0.978 -11.816 -14.495 254 3HD1 LEU 32 1HD1 LEU 32 0.980 -10.089 -14.137 255 1HD2 LEU 32 1HD2 LEU 32 -1.457 -12.891 -14.997 256 2HD2 LEU 32 3HD2 LEU 32 -1.966 -11.945 -16.396 257 3HD2 LEU 32 2HD2 LEU 32 -0.276 -12.424 -16.222 258 H ASP 33 H ASP 33 0.440 -8.346 -12.472 259 HA ASP 33 HA ASP 33 0.383 -9.965 -10.017 260 1HB ASP 33 2HB ASP 33 2.385 -7.998 -11.144 261 2HB ASP 33 1HB ASP 33 2.606 -8.818 -9.601 262 H GLY 34 H GLY 34 -1.273 -7.332 -10.737 263 1HA GLY 34 1HA GLY 34 -1.168 -6.327 -7.953 264 2HA GLY 34 2HA GLY 34 -2.443 -5.986 -9.122 265 H ILE 35 H ILE 35 0.379 -5.629 -10.786 266 HA ILE 35 HA ILE 35 0.535 -2.719 -10.106 267 HB ILE 35 HB ILE 35 2.800 -4.250 -11.377 268 1HG1 ILE 35 2HG1 ILE 35 2.618 -3.800 -8.404 269 2HG1 ILE 35 1HG1 ILE 35 1.950 -5.263 -9.127 270 1HG2 ILE 35 2HG2 ILE 35 2.699 -1.712 -11.275 271 2HG2 ILE 35 1HG2 ILE 35 2.801 -1.859 -9.521 272 3HG2 ILE 35 3HG2 ILE 35 4.126 -2.436 -10.532 273 1HD1 ILE 35 1HD1 ILE 35 4.736 -4.432 -9.870 274 2HD1 ILE 35 3HD1 ILE 35 4.468 -5.210 -8.310 275 3HD1 ILE 35 2HD1 ILE 35 4.034 -6.048 -9.799 276 H MET 36 H MET 36 0.437 -1.286 -11.842 277 HA MET 36 HA MET 36 -0.429 -2.468 -14.415 278 1HB MET 36 2HB MET 36 -0.378 0.401 -13.429 279 2HB MET 36 1HB MET 36 -1.023 -0.117 -14.986 280 1HG MET 36 2HG MET 36 -2.628 -1.602 -13.797 281 2HG MET 36 1HG MET 36 -2.014 -0.999 -12.257 282 1HE MET 36 2HE MET 36 -3.870 -0.373 -15.489 283 2HE MET 36 1HE MET 36 -4.312 1.332 -15.475 284 3HE MET 36 3HE MET 36 -2.624 0.853 -15.702 285 H PHE 37 H PHE 37 1.089 -2.816 -15.951 286 HA PHE 37 HA PHE 37 2.945 -2.473 -17.336 287 1HB PHE 37 2HB PHE 37 2.033 -0.211 -17.618 288 2HB PHE 37 1HB PHE 37 2.848 0.308 -16.145 289 HD1 PHE 37 HD1 PHE 37 5.352 0.309 -16.032 290 HD2 PHE 37 HD2 PHE 37 3.225 -0.424 -19.691 291 HE1 PHE 37 HE1 PHE 37 7.420 0.757 -17.324 292 HE2 PHE 37 HE2 PHE 37 5.292 0.023 -20.983 293 HZ PHE 37 HZ PHE 37 7.391 0.614 -19.800 294 H ILE 38 H ILE 38 3.646 -0.568 -14.393 295 HA ILE 38 HA ILE 38 6.367 -1.038 -14.190 296 HB ILE 38 HB ILE 38 4.317 -1.027 -11.955 297 1HG1 ILE 38 2HG1 ILE 38 6.186 1.110 -13.025 298 2HG1 ILE 38 1HG1 ILE 38 4.450 1.034 -13.323 299 1HG2 ILE 38 2HG2 ILE 38 7.164 -1.602 -11.930 300 2HG2 ILE 38 1HG2 ILE 38 6.809 -0.142 -11.006 301 3HG2 ILE 38 3HG2 ILE 38 6.007 -1.659 -10.600 302 1HD1 ILE 38 3HD1 ILE 38 4.406 0.881 -10.643 303 2HD1 ILE 38 2HD1 ILE 38 5.918 1.768 -10.834 304 3HD1 ILE 38 1HD1 ILE 38 4.420 2.428 -11.490 305 H ASN 39 H ASN 39 3.771 -3.327 -13.735 306 HA ASN 39 HA ASN 39 5.136 -5.339 -12.277 307 1HB ASN 39 2HB ASN 39 2.686 -5.354 -12.868 308 2HB ASN 39 1HB ASN 39 3.142 -5.805 -14.510 309 1HD2 ASN 39 1HD2 ASN 39 2.356 -7.987 -14.479 310 2HD2 ASN 39 2HD2 ASN 39 2.969 -9.173 -13.431 311 H LYS 40 H LYS 40 4.780 -5.064 -15.850 312 HA LYS 40 HA LYS 40 6.378 -7.187 -16.629 313 1HB LYS 40 2HB LYS 40 6.400 -4.404 -17.840 314 2HB LYS 40 1HB LYS 40 6.999 -5.860 -18.636 315 1HG LYS 40 2HG LYS 40 4.149 -5.434 -17.684 316 2HG LYS 40 1HG LYS 40 4.691 -5.312 -19.357 317 1HD LYS 40 2HD LYS 40 5.427 -7.668 -19.290 318 2HD LYS 40 1HD LYS 40 4.880 -7.791 -17.617 319 1HE LYS 40 2HE LYS 40 3.024 -6.938 -19.846 320 2HE LYS 40 1HE LYS 40 3.258 -8.636 -19.428 321 1HZ LYS 40 2HZ LYS 40 2.856 -7.515 -17.023 322 2HZ LYS 40 1HZ LYS 40 1.844 -6.563 -18.001 323 3HZ LYS 40 3HZ LYS 40 1.639 -8.246 -17.956 324 H CYS 41 H CYS 41 7.467 -3.988 -15.574 325 HA CYS 41 HA CYS 41 10.282 -4.544 -15.894 326 1HB CYS 41 2HB CYS 41 9.429 -2.248 -15.710 327 2HB CYS 41 1HB CYS 41 8.835 -2.580 -14.089 328 H ALA 42 H ALA 42 8.268 -4.289 -12.976 329 HA ALA 42 HA ALA 42 10.167 -5.369 -11.165 330 1HB ALA 42 1HB ALA 42 7.265 -4.842 -11.166 331 2HB ALA 42 2HB ALA 42 8.476 -4.479 -9.937 332 3HB ALA 42 3HB ALA 42 7.789 -6.100 -10.048 333 H THR 43 H THR 43 8.172 -6.983 -13.530 334 HA THR 43 HA THR 43 8.689 -9.595 -12.187 335 HB THR 43 HB THR 43 7.102 -10.463 -13.975 336 HG1 THR 43 HG1 THR 43 7.274 -8.788 -15.439 337 1HG2 THR 43 3HG2 THR 43 6.194 -8.341 -12.016 338 2HG2 THR 43 2HG2 THR 43 5.093 -9.433 -12.857 339 3HG2 THR 43 1HG2 THR 43 6.290 -10.080 -11.735 340 H CYS 44 H CYS 44 9.085 -7.970 -15.337 341 HA CYS 44 HA CYS 44 10.463 -10.140 -16.586 342 1HB CYS 44 2HB CYS 44 10.584 -7.162 -17.130 343 2HB CYS 44 1HB CYS 44 11.289 -8.394 -18.176 344 H LYS 45 H LYS 45 11.544 -7.576 -14.423 345 HA LYS 45 HA LYS 45 14.316 -7.637 -14.895 346 1HB LYS 45 2HB LYS 45 12.653 -7.238 -12.423 347 2HB LYS 45 1HB LYS 45 14.403 -7.380 -12.262 348 1HG LYS 45 2HG LYS 45 14.485 -5.607 -14.172 349 2HG LYS 45 1HG LYS 45 12.807 -5.291 -13.730 350 1HD LYS 45 2HD LYS 45 13.716 -5.138 -11.296 351 2HD LYS 45 1HD LYS 45 15.292 -4.942 -12.062 352 1HE LYS 45 2HE LYS 45 14.214 -3.088 -13.464 353 2HE LYS 45 1HE LYS 45 12.853 -3.176 -12.347 354 1HZ LYS 45 3HZ LYS 45 15.580 -2.928 -11.283 355 2HZ LYS 45 2HZ LYS 45 14.799 -1.547 -11.892 356 3HZ LYS 45 1HZ LYS 45 14.112 -2.418 -10.605 357 H MET 46 H MET 46 12.274 -9.925 -13.130 358 HA MET 46 HA MET 46 14.559 -11.600 -12.373 359 1HB MET 46 2HB MET 46 11.558 -12.020 -12.216 360 2HB MET 46 1HB MET 46 12.740 -13.195 -11.641 361 1HG MET 46 2HG MET 46 13.693 -11.449 -10.138 362 2HG MET 46 1HG MET 46 12.433 -10.337 -10.670 363 1HE MET 46 1HE MET 46 12.082 -9.865 -8.528 364 2HE MET 46 3HE MET 46 10.709 -10.541 -7.641 365 3HE MET 46 2HE MET 46 12.348 -11.062 -7.263 366 H ILE 47 H ILE 47 12.045 -11.518 -14.846 367 HA ILE 47 HA ILE 47 12.685 -14.099 -15.995 368 HB ILE 47 HB ILE 47 11.306 -11.673 -17.192 369 1HG1 ILE 47 2HG1 ILE 47 10.138 -14.223 -16.042 370 2HG1 ILE 47 1HG1 ILE 47 10.221 -12.691 -15.172 371 1HG2 ILE 47 2HG2 ILE 47 11.991 -14.353 -18.250 372 2HG2 ILE 47 1HG2 ILE 47 10.329 -13.831 -18.526 373 3HG2 ILE 47 3HG2 ILE 47 11.671 -12.849 -19.114 374 1HD1 ILE 47 3HD1 ILE 47 8.956 -12.822 -17.901 375 2HD1 ILE 47 2HD1 ILE 47 8.032 -13.277 -16.470 376 3HD1 ILE 47 1HD1 ILE 47 8.688 -11.647 -16.613 377 H LEU 48 H LEU 48 14.060 -10.937 -16.143 378 HA LEU 48 HA LEU 48 15.448 -11.311 -18.683 379 1HB LEU 48 2HB LEU 48 15.294 -9.240 -16.565 380 2HB LEU 48 1HB LEU 48 16.825 -9.322 -17.437 381 HG LEU 48 HG LEU 48 15.759 -8.970 -19.538 382 1HD1 LEU 48 1HD1 LEU 48 13.829 -10.503 -19.073 383 2HD1 LEU 48 3HD1 LEU 48 13.089 -9.213 -18.125 384 3HD1 LEU 48 2HD1 LEU 48 13.349 -8.998 -19.855 385 1HD2 LEU 48 1HD2 LEU 48 14.716 -7.222 -17.325 386 2HD2 LEU 48 3HD2 LEU 48 15.921 -6.849 -18.558 387 3HD2 LEU 48 2HD2 LEU 48 14.212 -6.929 -18.991 388 H GLU 49 H GLU 49 16.303 -11.546 -15.238 389 HA GLU 49 HA GLU 49 19.075 -12.154 -15.644 390 1HB GLU 49 2HB GLU 49 17.230 -12.985 -13.381 391 2HB GLU 49 1HB GLU 49 18.991 -13.067 -13.342 392 1HG GLU 49 2HG GLU 49 19.163 -10.657 -13.572 393 2HG GLU 49 1HG GLU 49 17.421 -10.516 -13.807 394 H LYS 50 H LYS 50 16.159 -14.150 -15.602 395 HA LYS 50 HA LYS 50 17.208 -16.721 -15.405 396 1HB LYS 50 2HB LYS 50 15.032 -15.692 -17.247 397 2HB LYS 50 1HB LYS 50 15.364 -17.405 -16.991 398 1HG LYS 50 2HG LYS 50 15.039 -17.019 -14.521 399 2HG LYS 50 1HG LYS 50 14.512 -15.380 -14.903 400 1HD LYS 50 2HD LYS 50 12.762 -16.382 -16.419 401 2HD LYS 50 1HD LYS 50 13.219 -17.970 -15.803 402 1HE LYS 50 2HE LYS 50 12.106 -17.646 -13.858 403 2HE LYS 50 1HE LYS 50 12.749 -16.014 -13.671 404 1HZ LYS 50 1HZ LYS 50 11.030 -15.847 -15.791 405 2HZ LYS 50 3HZ LYS 50 10.222 -16.855 -14.691 406 3HZ LYS 50 2HZ LYS 50 10.731 -15.307 -14.208 407 H GLU 51 H GLU 51 17.266 -14.563 -18.221 408 HA GLU 51 HA GLU 51 18.236 -16.390 -20.150 409 1HB GLU 51 2HB GLU 51 18.867 -13.442 -19.814 410 2HB GLU 51 1HB GLU 51 19.216 -14.382 -21.264 411 1HG GLU 51 2HG GLU 51 16.798 -14.923 -21.467 412 2HG GLU 51 1HG GLU 51 16.472 -13.921 -20.053 413 H ALA 52 H ALA 52 19.903 -14.743 -17.525 414 HA ALA 52 HA ALA 52 22.582 -15.250 -18.412 415 1HB ALA 52 1HB ALA 52 21.397 -13.984 -16.229 416 2HB ALA 52 2HB ALA 52 23.129 -14.179 -16.498 417 3HB ALA 52 3HB ALA 52 22.253 -15.349 -15.513 418 H LYS 53 H LYS 53 20.174 -17.253 -16.856 419 HA LYS 53 HA LYS 53 21.914 -19.275 -15.820 420 1HB LYS 53 2HB LYS 53 19.487 -19.078 -15.263 421 2HB LYS 53 1HB LYS 53 19.099 -19.618 -16.897 422 1HG LYS 53 2HG LYS 53 20.375 -21.716 -16.472 423 2HG LYS 53 1HG LYS 53 20.658 -21.181 -14.816 424 1HD LYS 53 2HD LYS 53 18.174 -21.041 -14.498 425 2HD LYS 53 1HD LYS 53 17.971 -21.737 -16.106 426 1HE LYS 53 2HE LYS 53 18.056 -23.754 -15.084 427 2HE LYS 53 1HE LYS 53 19.783 -23.455 -14.890 428 1HZ LYS 53 3HZ LYS 53 17.904 -22.322 -12.939 429 2HZ LYS 53 2HZ LYS 53 18.306 -23.970 -12.834 430 3HZ LYS 53 1HZ LYS 53 19.522 -22.787 -12.731 431 H SER 54 H SER 54 20.565 -18.708 -19.034 432 HA SER 54 HA SER 54 21.180 -21.226 -20.201 433 1HB SER 54 2HB SER 54 21.305 -18.511 -21.548 434 2HB SER 54 1HB SER 54 21.085 -20.070 -22.344 435 HG SER 54 HG SER 54 19.275 -18.490 -21.053 436 H GLN 55 H GLN 55 23.214 -18.487 -19.400 437 HA GLN 55 HA GLN 55 25.522 -19.851 -20.717 438 1HB GLN 55 2HB GLN 55 25.324 -17.004 -19.689 439 2HB GLN 55 1HB GLN 55 26.665 -17.694 -20.604 440 1HG GLN 55 2HG GLN 55 23.813 -17.388 -21.594 441 2HG GLN 55 1HG GLN 55 25.187 -16.399 -22.087 442 1HE2 GLN 55 1HE2 GLN 55 23.357 -18.741 -23.350 443 2HE2 GLN 55 2HE2 GLN 55 24.515 -19.644 -24.201 No H/Q in entry = 443 Start of MODEL 23 1 H1 LYS 1 2H LYS 1 -2.395 8.458 9.890 2 H2 LYS 1 1H LYS 1 -1.752 9.507 8.718 3 H3 LYS 1 3H LYS 1 -2.880 10.086 9.845 4 HA LYS 1 HA LYS 1 -3.988 9.777 7.760 5 1HB LYS 1 2HB LYS 1 -2.914 6.949 7.982 6 2HB LYS 1 1HB LYS 1 -4.072 7.492 6.769 7 1HG LYS 1 2HG LYS 1 -2.410 9.195 6.007 8 2HG LYS 1 1HG LYS 1 -1.248 8.532 7.156 9 1HD LYS 1 2HD LYS 1 -1.482 6.307 6.035 10 2HD LYS 1 1HD LYS 1 -2.533 7.059 4.835 11 1HE LYS 1 2HE LYS 1 -0.791 8.360 3.942 12 2HE LYS 1 1HE LYS 1 0.201 8.194 5.391 13 1HZ LYS 1 3HZ LYS 1 0.266 5.746 4.838 14 2HZ LYS 1 2HZ LYS 1 -0.357 6.163 3.313 15 3HZ LYS 1 1HZ LYS 1 1.149 6.770 3.814 16 H ASN 2 H ASN 2 -4.012 8.792 10.877 17 HA ASN 2 HA ASN 2 -6.160 6.962 11.105 18 1HB ASN 2 2HB ASN 2 -4.659 7.834 12.972 19 2HB ASN 2 1HB ASN 2 -5.670 9.278 12.991 20 1HD2 ASN 2 1HD2 ASN 2 -5.813 8.006 15.342 21 2HD2 ASN 2 2HD2 ASN 2 -7.209 7.053 15.490 22 H GLU 3 H GLU 3 -6.156 10.446 10.545 23 HA GLU 3 HA GLU 3 -8.948 10.889 11.014 24 1HB GLU 3 2HB GLU 3 -7.005 12.334 9.186 25 2HB GLU 3 1HB GLU 3 -8.618 12.920 9.595 26 1HG GLU 3 2HG GLU 3 -7.987 12.888 12.004 27 2HG GLU 3 1HG GLU 3 -6.358 12.388 11.548 28 H ASP 4 H ASP 4 -7.145 9.710 8.223 29 HA ASP 4 HA ASP 4 -9.179 9.969 6.252 30 1HB ASP 4 2HB ASP 4 -7.112 7.763 6.515 31 2HB ASP 4 1HB ASP 4 -7.987 8.195 5.046 32 H GLN 5 H GLN 5 -8.766 7.684 8.873 33 HA GLN 5 HA GLN 5 -10.537 5.645 7.935 34 1HB GLN 5 2HB GLN 5 -8.971 5.451 9.902 35 2HB GLN 5 1HB GLN 5 -10.083 6.469 10.816 36 1HG GLN 5 2HG GLN 5 -11.889 4.839 10.467 37 2HG GLN 5 1HG GLN 5 -10.808 3.831 9.505 38 1HE2 GLN 5 1HE2 GLN 5 -11.878 2.597 11.721 39 2HE2 GLN 5 2HE2 GLN 5 -10.721 2.455 12.955 40 H GLU 6 H GLU 6 -11.106 8.685 9.653 41 HA GLU 6 HA GLU 6 -13.844 8.233 10.320 42 1HB GLU 6 2HB GLU 6 -12.404 10.823 9.672 43 2HB GLU 6 1HB GLU 6 -13.999 10.718 10.417 44 1HG GLU 6 2HG GLU 6 -13.014 9.420 12.292 45 2HG GLU 6 1HG GLU 6 -11.421 9.593 11.556 46 H MET 7 H MET 7 -12.324 9.584 7.397 47 HA MET 7 HA MET 7 -14.745 10.301 6.061 48 1HB MET 7 2HB MET 7 -12.133 9.354 4.839 49 2HB MET 7 1HB MET 7 -13.403 10.248 4.004 50 1HG MET 7 2HG MET 7 -11.882 11.261 6.425 51 2HG MET 7 1HG MET 7 -11.544 11.725 4.757 52 1HE MET 7 1HE MET 7 -13.304 12.516 3.161 53 2HE MET 7 3HE MET 7 -14.739 11.629 3.693 54 3HE MET 7 2HE MET 7 -14.781 13.386 3.571 55 H CYS 8 H CYS 8 -13.303 7.232 6.720 56 HA CYS 8 HA CYS 8 -14.648 5.811 4.555 57 1HB CYS 8 2HB CYS 8 -13.271 4.829 7.070 58 2HB CYS 8 1HB CYS 8 -13.879 3.778 5.791 59 H HIS 9 H HIS 9 -15.395 6.707 7.849 60 HA HIS 9 HA HIS 9 -17.459 4.829 8.390 61 1HB HIS 9 2HB HIS 9 -16.879 6.140 10.241 62 2HB HIS 9 1HB HIS 9 -16.860 7.632 9.305 63 HD1 HIS 9 HD1 HIS 9 -19.399 8.271 8.316 64 HD2 HIS 9 HD2 HIS 9 -19.190 5.895 11.735 65 HE1 HIS 9 HE1 HIS 9 -21.664 8.423 9.431 66 H GLU 10 H GLU 10 -17.509 7.920 6.641 67 HA GLU 10 HA GLU 10 -20.352 7.930 6.180 68 1HB GLU 10 2HB GLU 10 -18.060 9.305 4.756 69 2HB GLU 10 1HB GLU 10 -19.758 9.595 4.377 70 1HG GLU 10 2HG GLU 10 -20.138 10.227 6.765 71 2HG GLU 10 1HG GLU 10 -18.408 10.044 7.056 72 H PHE 11 H PHE 11 -17.581 6.765 4.240 73 HA PHE 11 HA PHE 11 -19.132 6.083 1.940 74 1HB PHE 11 2HB PHE 11 -16.420 5.871 2.724 75 2HB PHE 11 1HB PHE 11 -16.938 4.241 2.291 76 HD1 PHE 11 HD1 PHE 11 -19.136 5.154 0.321 77 HD2 PHE 11 HD2 PHE 11 -15.003 6.248 0.772 78 HE1 PHE 11 HE1 PHE 11 -19.032 5.764 -2.074 79 HE2 PHE 11 HE2 PHE 11 -14.909 6.855 -1.626 80 HZ PHE 11 HZ PHE 11 -16.921 6.616 -3.051 81 H GLN 12 H GLN 12 -18.812 4.561 5.036 82 HA GLN 12 HA GLN 12 -19.512 1.878 4.281 83 1HB GLN 12 2HB GLN 12 -18.619 2.394 6.510 84 2HB GLN 12 1HB GLN 12 -20.036 3.382 6.867 85 1HG GLN 12 2HG GLN 12 -21.486 1.408 6.642 86 2HG GLN 12 1HG GLN 12 -20.085 0.413 6.242 87 1HE2 GLN 12 1HE2 GLN 12 -21.312 -0.560 8.404 88 2HE2 GLN 12 2HE2 GLN 12 -20.556 -0.106 9.854 89 H ALA 13 H ALA 13 -21.410 4.786 4.894 90 HA ALA 13 HA ALA 13 -23.980 3.560 5.075 91 1HB ALA 13 1HB ALA 13 -23.910 5.850 5.653 92 2HB ALA 13 2HB ALA 13 -24.741 5.844 4.098 93 3HB ALA 13 3HB ALA 13 -23.035 6.284 4.184 94 H PHE 14 H PHE 14 -21.989 4.508 2.310 95 HA PHE 14 HA PHE 14 -24.079 3.811 0.376 96 1HB PHE 14 2HB PHE 14 -21.127 4.393 -0.021 97 2HB PHE 14 1HB PHE 14 -22.324 4.254 -1.307 98 HD1 PHE 14 HD1 PHE 14 -24.318 5.855 -1.290 99 HD2 PHE 14 HD2 PHE 14 -20.827 6.429 1.145 100 HE1 PHE 14 HE1 PHE 14 -24.921 8.242 -0.989 101 HE2 PHE 14 HE2 PHE 14 -21.429 8.816 1.446 102 HZ PHE 14 HZ PHE 14 -23.477 9.722 0.379 103 H MET 15 H MET 15 -22.165 1.987 2.347 104 HA MET 15 HA MET 15 -21.333 -0.052 0.422 105 1HB MET 15 2HB MET 15 -20.141 0.426 2.602 106 2HB MET 15 1HB MET 15 -21.521 -0.286 3.439 107 1HG MET 15 2HG MET 15 -21.185 -2.374 2.109 108 2HG MET 15 1HG MET 15 -19.731 -1.661 1.412 109 1HE MET 15 1HE MET 15 -21.434 -1.651 4.909 110 2HE MET 15 3HE MET 15 -21.431 -3.344 4.393 111 3HE MET 15 2HE MET 15 -20.476 -2.842 5.787 112 H LYS 16 H LYS 16 -22.613 -1.692 -0.303 113 HA LYS 16 HA LYS 16 -24.992 -2.453 1.334 114 1HB LYS 16 2HB LYS 16 -24.990 -2.022 -1.669 115 2HB LYS 16 1HB LYS 16 -26.363 -2.557 -0.699 116 1HG LYS 16 2HG LYS 16 -26.187 -0.423 0.614 117 2HG LYS 16 1HG LYS 16 -24.940 0.114 -0.511 118 1HD LYS 16 2HD LYS 16 -26.517 -0.062 -2.380 119 2HD LYS 16 1HD LYS 16 -27.763 -0.673 -1.293 120 1HE LYS 16 2HE LYS 16 -27.807 1.418 -0.071 121 2HE LYS 16 1HE LYS 16 -26.419 2.025 -0.973 122 1HZ LYS 16 1HZ LYS 16 -28.544 1.150 -2.677 123 2HZ LYS 16 3HZ LYS 16 -29.037 2.388 -1.628 124 3HZ LYS 16 2HZ LYS 16 -27.709 2.630 -2.660 125 H ASN 17 H ASN 17 -25.585 -4.656 1.148 126 HA ASN 17 HA ASN 17 -25.094 -6.943 0.917 127 1HB ASN 17 2HB ASN 17 -24.237 -5.953 -1.821 128 2HB ASN 17 1HB ASN 17 -24.545 -7.638 -1.399 129 1HD2 ASN 17 1HD2 ASN 17 -26.081 -6.268 -3.416 130 2HD2 ASN 17 2HD2 ASN 17 -27.675 -6.117 -2.853 131 H GLY 18 H GLY 18 -22.929 -5.073 1.872 132 1HA GLY 18 1HA GLY 18 -20.759 -7.026 1.796 133 2HA GLY 18 2HA GLY 18 -20.734 -5.483 2.653 134 H LYS 19 H LYS 19 -21.726 -4.381 -0.115 135 HA LYS 19 HA LYS 19 -19.019 -4.294 -1.383 136 1HB LYS 19 2HB LYS 19 -21.011 -5.315 -2.674 137 2HB LYS 19 1HB LYS 19 -21.618 -3.663 -2.780 138 1HG LYS 19 2HG LYS 19 -18.827 -3.671 -3.462 139 2HG LYS 19 1HG LYS 19 -19.649 -4.904 -4.419 140 1HD LYS 19 2HD LYS 19 -21.448 -2.898 -4.632 141 2HD LYS 19 1HD LYS 19 -19.973 -1.948 -4.453 142 1HE LYS 19 2HE LYS 19 -18.946 -3.357 -6.280 143 2HE LYS 19 1HE LYS 19 -20.534 -4.082 -6.531 144 1HZ LYS 19 2HZ LYS 19 -21.288 -1.625 -6.681 145 2HZ LYS 19 1HZ LYS 19 -19.653 -1.322 -7.030 146 3HZ LYS 19 3HZ LYS 19 -20.554 -2.359 -8.025 147 H LEU 20 H LEU 20 -18.077 -2.296 -1.509 148 HA LEU 20 HA LEU 20 -19.533 -0.008 -0.374 149 1HB LEU 20 2HB LEU 20 -17.229 -0.211 0.287 150 2HB LEU 20 1HB LEU 20 -16.701 -0.366 -1.388 151 HG LEU 20 HG LEU 20 -17.668 1.960 -1.779 152 1HD1 LEU 20 2HD1 LEU 20 -18.650 1.532 0.822 153 2HD1 LEU 20 1HD1 LEU 20 -17.388 2.752 0.992 154 3HD1 LEU 20 3HD1 LEU 20 -18.738 3.026 -0.111 155 1HD2 LEU 20 2HD2 LEU 20 -15.349 1.444 0.079 156 2HD2 LEU 20 1HD2 LEU 20 -15.313 1.811 -1.647 157 3HD2 LEU 20 3HD2 LEU 20 -15.741 3.069 -0.487 158 H PHE 21 H PHE 21 -20.594 1.471 -1.599 159 HA PHE 21 HA PHE 21 -20.165 1.387 -4.548 160 1HB PHE 21 2HB PHE 21 -22.460 2.376 -2.839 161 2HB PHE 21 1HB PHE 21 -22.352 2.701 -4.569 162 HD1 PHE 21 HD1 PHE 21 -22.310 -0.084 -2.074 163 HD2 PHE 21 HD2 PHE 21 -23.072 1.094 -6.134 164 HE1 PHE 21 HE1 PHE 21 -23.237 -2.334 -2.553 165 HE2 PHE 21 HE2 PHE 21 -23.999 -1.156 -6.613 166 HZ PHE 21 HZ PHE 21 -24.081 -2.870 -4.823 167 H CYS 22 H CYS 22 -19.222 3.109 -5.534 168 HA CYS 22 HA CYS 22 -18.625 5.506 -3.870 169 1HB CYS 22 2HB CYS 22 -17.427 5.044 -6.582 170 2HB CYS 22 1HB CYS 22 -16.728 5.847 -5.178 171 HA PRO 23 HA PRO 23 -21.950 6.922 -6.879 172 1HB PRO 23 2HB PRO 23 -23.386 8.304 -5.055 173 2HB PRO 23 1HB PRO 23 -23.634 6.583 -5.364 174 1HG PRO 23 2HG PRO 23 -22.099 7.915 -3.165 175 2HG PRO 23 1HG PRO 23 -23.200 6.536 -3.075 176 1HD PRO 23 2HD PRO 23 -20.513 6.233 -3.088 177 2HD PRO 23 1HD PRO 23 -21.598 5.044 -3.810 178 H GLN 24 H GLN 24 -22.566 9.269 -7.289 179 HA GLN 24 HA GLN 24 -20.180 10.932 -7.108 180 1HB GLN 24 2HB GLN 24 -22.971 11.457 -8.165 181 2HB GLN 24 1HB GLN 24 -21.660 12.633 -8.252 182 1HG GLN 24 2HG GLN 24 -20.294 10.985 -9.512 183 2HG GLN 24 1HG GLN 24 -21.644 9.851 -9.463 184 1HE2 GLN 24 1HE2 GLN 24 -20.687 10.727 -11.972 185 2HE2 GLN 24 2HE2 GLN 24 -21.837 11.751 -12.686 186 H ASP 25 H ASP 25 -19.704 11.910 -5.194 187 HA ASP 25 HA ASP 25 -21.842 12.627 -3.309 188 1HB ASP 25 2HB ASP 25 -19.687 11.715 -2.490 189 2HB ASP 25 1HB ASP 25 -18.849 13.113 -3.163 190 H LYS 26 H LYS 26 -22.779 14.611 -3.224 191 HA LYS 26 HA LYS 26 -22.311 16.636 -5.138 192 1HB LYS 26 2HB LYS 26 -23.481 16.893 -2.351 193 2HB LYS 26 1HB LYS 26 -23.617 18.111 -3.619 194 1HG LYS 26 2HG LYS 26 -24.742 16.424 -5.071 195 2HG LYS 26 1HG LYS 26 -24.677 15.271 -3.738 196 1HD LYS 26 2HD LYS 26 -25.988 16.860 -2.339 197 2HD LYS 26 1HD LYS 26 -26.107 17.946 -3.723 198 1HE LYS 26 2HE LYS 26 -27.357 16.316 -4.987 199 2HE LYS 26 1HE LYS 26 -27.061 15.071 -3.774 200 1HZ LYS 26 2HZ LYS 26 -28.207 16.743 -2.201 201 2HZ LYS 26 1HZ LYS 26 -28.834 17.415 -3.630 202 3HZ LYS 26 3HZ LYS 26 -29.163 15.798 -3.239 203 H LYS 27 H LYS 27 -20.806 16.070 -2.010 204 HA LYS 27 HA LYS 27 -19.256 18.596 -2.302 205 1HB LYS 27 2HB LYS 27 -20.214 17.027 -0.048 206 2HB LYS 27 1HB LYS 27 -18.478 17.318 0.070 207 1HG LYS 27 2HG LYS 27 -19.237 19.779 -0.669 208 2HG LYS 27 1HG LYS 27 -20.738 19.269 0.105 209 1HD LYS 27 2HD LYS 27 -18.596 18.444 1.790 210 2HD LYS 27 1HD LYS 27 -18.294 20.124 1.345 211 1HE LYS 27 2HE LYS 27 -19.712 20.502 3.116 212 2HE LYS 27 1HE LYS 27 -20.930 20.295 1.858 213 1HZ LYS 27 2HZ LYS 27 -20.716 17.811 2.479 214 2HZ LYS 27 1HZ LYS 27 -20.067 18.399 3.935 215 3HZ LYS 27 3HZ LYS 27 -21.638 18.838 3.470 216 HA PRO 28 HA PRO 28 -15.881 16.153 -3.930 217 1HB PRO 28 2HB PRO 28 -14.018 18.108 -3.894 218 2HB PRO 28 1HB PRO 28 -15.296 18.020 -5.110 219 1HG PRO 28 2HG PRO 28 -15.133 19.708 -2.644 220 2HG PRO 28 1HG PRO 28 -15.688 20.151 -4.261 221 1HD PRO 28 1HD PRO 28 -17.402 19.578 -2.239 222 2HD PRO 28 2HD PRO 28 -17.784 19.246 -3.928 223 H ILE 29 H ILE 29 -14.728 14.729 -2.721 224 HA ILE 29 HA ILE 29 -13.690 15.614 -0.078 225 HB ILE 29 HB ILE 29 -15.134 13.526 -0.310 226 1HG1 ILE 29 2HG1 ILE 29 -13.459 14.071 1.563 227 2HG1 ILE 29 1HG1 ILE 29 -13.949 12.387 1.394 228 1HG2 ILE 29 3HG2 ILE 29 -13.092 12.915 -2.247 229 2HG2 ILE 29 2HG2 ILE 29 -13.084 11.687 -0.981 230 3HG2 ILE 29 1HG2 ILE 29 -14.565 12.021 -1.877 231 1HD1 ILE 29 3HD1 ILE 29 -11.697 12.836 -0.319 232 2HD1 ILE 29 2HD1 ILE 29 -11.311 13.470 1.278 233 3HD1 ILE 29 1HD1 ILE 29 -11.803 11.788 1.093 234 H GLN 30 H GLN 30 -11.459 15.347 0.433 235 HA GLN 30 HA GLN 30 -9.704 15.323 -1.952 236 1HB GLN 30 2HB GLN 30 -9.245 16.036 0.955 237 2HB GLN 30 1HB GLN 30 -7.940 15.970 -0.230 238 1HG GLN 30 2HG GLN 30 -9.169 17.618 -1.633 239 2HG GLN 30 1HG GLN 30 -10.415 17.719 -0.390 240 1HE2 GLN 30 1HE2 GLN 30 -9.013 20.062 -1.042 241 2HE2 GLN 30 2HE2 GLN 30 -7.968 20.477 0.230 242 H SER 31 H SER 31 -8.315 13.672 -2.413 243 HA SER 31 HA SER 31 -8.513 11.235 -0.752 244 1HB SER 31 2HB SER 31 -7.487 11.859 -3.510 245 2HB SER 31 1HB SER 31 -7.033 10.353 -2.713 246 HG SER 31 HG SER 31 -9.718 11.156 -2.765 247 H LEU 32 H LEU 32 -6.118 10.010 -1.058 248 HA LEU 32 HA LEU 32 -4.043 11.934 -0.173 249 1HB LEU 32 2HB LEU 32 -5.009 9.535 1.393 250 2HB LEU 32 1HB LEU 32 -3.442 10.288 1.686 251 HG LEU 32 HG LEU 32 -4.856 12.506 1.804 252 1HD1 LEU 32 2HD1 LEU 32 -6.874 10.388 1.687 253 2HD1 LEU 32 1HD1 LEU 32 -7.059 11.426 3.102 254 3HD1 LEU 32 3HD1 LEU 32 -7.064 12.130 1.484 255 1HD2 LEU 32 3HD2 LEU 32 -4.085 10.492 3.746 256 2HD2 LEU 32 2HD2 LEU 32 -4.050 12.249 3.894 257 3HD2 LEU 32 1HD2 LEU 32 -5.523 11.360 4.281 258 H ASP 33 H ASP 33 -4.855 8.707 -1.344 259 HA ASP 33 HA ASP 33 -2.097 7.895 -1.706 260 1HB ASP 33 2HB ASP 33 -4.559 6.887 -3.168 261 2HB ASP 33 1HB ASP 33 -3.019 6.047 -2.987 262 H GLY 34 H GLY 34 -2.850 7.097 -4.622 263 1HA GLY 34 1HA GLY 34 -1.932 8.036 -6.623 264 2HA GLY 34 2HA GLY 34 -1.776 9.586 -5.792 265 H ILE 35 H ILE 35 -4.490 9.687 -4.760 266 HA ILE 35 HA ILE 35 -5.882 10.240 -7.347 267 HB ILE 35 HB ILE 35 -7.419 9.141 -5.005 268 1HG1 ILE 35 1HG1 ILE 35 -6.613 7.285 -7.194 269 2HG1 ILE 35 2HG1 ILE 35 -5.398 7.641 -5.969 270 1HG2 ILE 35 1HG2 ILE 35 -7.889 9.878 -7.792 271 2HG2 ILE 35 3HG2 ILE 35 -8.471 8.256 -7.419 272 3HG2 ILE 35 2HG2 ILE 35 -9.049 9.636 -6.485 273 1HD1 ILE 35 3HD1 ILE 35 -8.153 7.005 -5.022 274 2HD1 ILE 35 2HD1 ILE 35 -7.179 5.672 -5.644 275 3HD1 ILE 35 1HD1 ILE 35 -6.597 6.630 -4.281 276 H MET 36 H MET 36 -8.023 11.532 -6.740 277 HA MET 36 HA MET 36 -7.404 13.436 -4.525 278 1HB MET 36 2HB MET 36 -7.939 14.033 -7.427 279 2HB MET 36 1HB MET 36 -8.374 15.208 -6.185 280 1HG MET 36 2HG MET 36 -6.005 15.025 -5.317 281 2HG MET 36 1HG MET 36 -5.625 14.060 -6.744 282 1HE MET 36 3HE MET 36 -6.380 14.836 -9.145 283 2HE MET 36 2HE MET 36 -7.892 15.593 -8.652 284 3HE MET 36 1HE MET 36 -6.730 16.508 -9.608 285 H PHE 37 H PHE 37 -9.368 11.187 -4.819 286 HA PHE 37 HA PHE 37 -11.613 12.413 -3.604 287 1HB PHE 37 2HB PHE 37 -11.990 13.420 -5.822 288 2HB PHE 37 1HB PHE 37 -12.023 11.812 -6.546 289 HD1 PHE 37 HD1 PHE 37 -13.737 14.066 -4.143 290 HD2 PHE 37 HD2 PHE 37 -13.966 10.423 -6.405 291 HE1 PHE 37 HE1 PHE 37 -16.142 13.860 -3.567 292 HE2 PHE 37 HE2 PHE 37 -16.370 10.217 -5.832 293 HZ PHE 37 HZ PHE 37 -17.458 11.936 -4.413 294 H ILE 38 H ILE 38 -11.777 9.992 -6.191 295 HA ILE 38 HA ILE 38 -13.313 8.116 -4.808 296 HB ILE 38 HB ILE 38 -12.616 6.494 -6.450 297 1HG1 ILE 38 2HG1 ILE 38 -10.352 8.350 -7.206 298 2HG1 ILE 38 1HG1 ILE 38 -10.138 7.005 -6.086 299 1HG2 ILE 38 2HG2 ILE 38 -13.885 8.633 -7.148 300 2HG2 ILE 38 1HG2 ILE 38 -12.353 9.159 -7.845 301 3HG2 ILE 38 3HG2 ILE 38 -13.130 7.688 -8.431 302 1HD1 ILE 38 2HD1 ILE 38 -11.532 5.942 -8.295 303 2HD1 ILE 38 1HD1 ILE 38 -10.266 6.962 -8.978 304 3HD1 ILE 38 3HD1 ILE 38 -9.845 5.658 -7.869 305 H ASN 39 H ASN 39 -9.961 8.835 -4.270 306 HA ASN 39 HA ASN 39 -8.846 6.463 -3.385 307 1HB ASN 39 2HB ASN 39 -7.802 8.766 -3.253 308 2HB ASN 39 1HB ASN 39 -8.694 9.005 -1.752 309 1HD2 ASN 39 1HD2 ASN 39 -7.369 8.576 0.013 310 2HD2 ASN 39 2HD2 ASN 39 -6.198 7.349 0.083 311 H LYS 40 H LYS 40 -11.070 8.521 -1.471 312 HA LYS 40 HA LYS 40 -11.100 7.006 0.881 313 1HB LYS 40 2HB LYS 40 -13.400 8.426 -0.490 314 2HB LYS 40 1HB LYS 40 -13.468 7.805 1.161 315 1HG LYS 40 2HG LYS 40 -11.595 9.932 0.083 316 2HG LYS 40 1HG LYS 40 -12.877 10.149 1.275 317 1HD LYS 40 2HD LYS 40 -11.656 8.495 2.751 318 2HD LYS 40 1HD LYS 40 -10.320 8.556 1.602 319 1HE LYS 40 2HE LYS 40 -11.459 11.083 2.792 320 2HE LYS 40 1HE LYS 40 -10.232 10.150 3.649 321 1HZ LYS 40 3HZ LYS 40 -8.828 10.303 1.658 322 2HZ LYS 40 2HZ LYS 40 -9.994 11.293 0.919 323 3HZ LYS 40 1HZ LYS 40 -9.183 11.826 2.314 324 H CYS 41 H CYS 41 -13.033 6.529 -2.059 325 HA CYS 41 HA CYS 41 -14.357 4.158 -1.081 326 1HB CYS 41 2HB CYS 41 -14.801 5.797 -3.184 327 2HB CYS 41 1HB CYS 41 -13.951 4.490 -4.005 328 H ALA 42 H ALA 42 -11.468 4.719 -3.073 329 HA ALA 42 HA ALA 42 -10.990 1.904 -3.551 330 1HB ALA 42 2HB ALA 42 -8.542 3.283 -3.760 331 2HB ALA 42 1HB ALA 42 -9.637 2.853 -5.075 332 3HB ALA 42 3HB ALA 42 -9.780 4.424 -4.285 333 H THR 43 H THR 43 -10.194 4.117 -0.960 334 HA THR 43 HA THR 43 -8.307 2.116 0.179 335 HB THR 43 HB THR 43 -7.885 3.977 1.869 336 HG1 THR 43 HG1 THR 43 -9.746 5.165 1.552 337 1HG2 THR 43 3HG2 THR 43 -6.633 3.455 -0.378 338 2HG2 THR 43 2HG2 THR 43 -7.369 4.964 -0.918 339 3HG2 THR 43 1HG2 THR 43 -6.291 4.959 0.478 340 H CYS 44 H CYS 44 -11.288 3.895 0.992 341 HA CYS 44 HA CYS 44 -11.596 2.755 3.595 342 1HB CYS 44 2HB CYS 44 -13.673 3.825 1.670 343 2HB CYS 44 1HB CYS 44 -13.996 3.408 3.351 344 H LYS 45 H LYS 45 -12.139 1.431 0.431 345 HA LYS 45 HA LYS 45 -14.108 -0.519 1.033 346 1HB LYS 45 2HB LYS 45 -13.178 -0.046 -1.256 347 2HB LYS 45 1HB LYS 45 -11.709 -0.900 -0.786 348 1HG LYS 45 2HG LYS 45 -13.055 -2.929 -0.319 349 2HG LYS 45 1HG LYS 45 -14.508 -2.072 -0.834 350 1HD LYS 45 2HD LYS 45 -13.502 -1.736 -3.072 351 2HD LYS 45 1HD LYS 45 -12.069 -2.623 -2.554 352 1HE LYS 45 2HE LYS 45 -13.102 -4.520 -3.197 353 2HE LYS 45 1HE LYS 45 -14.254 -4.270 -1.885 354 1HZ LYS 45 3HZ LYS 45 -14.517 -3.047 -4.576 355 2HZ LYS 45 2HZ LYS 45 -15.284 -4.490 -4.112 356 3HZ LYS 45 1HZ LYS 45 -15.665 -3.032 -3.327 357 H MET 46 H MET 46 -10.558 -0.673 1.387 358 HA MET 46 HA MET 46 -10.688 -3.322 2.621 359 1HB MET 46 2HB MET 46 -8.440 -1.296 2.400 360 2HB MET 46 1HB MET 46 -8.255 -2.914 3.075 361 1HG MET 46 2HG MET 46 -9.066 -3.866 0.915 362 2HG MET 46 1HG MET 46 -9.125 -2.234 0.250 363 1HE MET 46 3HE MET 46 -7.309 -0.627 0.763 364 2HE MET 46 2HE MET 46 -6.186 -1.180 2.003 365 3HE MET 46 1HE MET 46 -5.617 -0.942 0.353 366 H ILE 47 H ILE 47 -10.668 0.015 3.667 367 HA ILE 47 HA ILE 47 -10.158 -0.648 6.476 368 HB ILE 47 HB ILE 47 -11.139 1.920 5.192 369 1HG1 ILE 47 1HG1 ILE 47 -8.952 1.417 4.344 370 2HG1 ILE 47 2HG1 ILE 47 -8.729 2.607 5.626 371 1HG2 ILE 47 1HG2 ILE 47 -10.524 1.100 7.982 372 2HG2 ILE 47 3HG2 ILE 47 -9.913 2.675 7.474 373 3HG2 ILE 47 2HG2 ILE 47 -11.641 2.330 7.390 374 1HD1 ILE 47 1HD1 ILE 47 -8.605 0.292 7.060 375 2HD1 ILE 47 3HD1 ILE 47 -7.915 -0.237 5.526 376 3HD1 ILE 47 2HD1 ILE 47 -7.190 1.111 6.402 377 H LEU 48 H LEU 48 -12.865 -0.564 4.363 378 HA LEU 48 HA LEU 48 -14.841 -0.118 6.491 379 1HB LEU 48 2HB LEU 48 -15.212 0.620 4.123 380 2HB LEU 48 1HB LEU 48 -15.252 -1.074 3.640 381 HG LEU 48 HG LEU 48 -17.259 -1.485 4.805 382 1HD1 LEU 48 3HD1 LEU 48 -16.459 0.936 6.388 383 2HD1 LEU 48 2HD1 LEU 48 -18.165 0.495 6.304 384 3HD1 LEU 48 1HD1 LEU 48 -16.990 -0.645 6.961 385 1HD2 LEU 48 2HD2 LEU 48 -17.505 0.029 2.809 386 2HD2 LEU 48 1HD2 LEU 48 -18.803 0.195 3.990 387 3HD2 LEU 48 3HD2 LEU 48 -17.520 1.402 3.916 388 H GLU 49 H GLU 49 -13.181 -2.784 5.021 389 HA GLU 49 HA GLU 49 -15.126 -4.798 5.875 390 1HB GLU 49 2HB GLU 49 -12.277 -5.013 4.858 391 2HB GLU 49 1HB GLU 49 -13.301 -6.402 5.222 392 1HG GLU 49 2HG GLU 49 -14.966 -5.594 3.578 393 2HG GLU 49 1HG GLU 49 -13.921 -4.223 3.202 394 H LYS 50 H LYS 50 -12.244 -3.272 7.157 395 HA LYS 50 HA LYS 50 -11.635 -5.172 9.205 396 1HB LYS 50 2HB LYS 50 -10.122 -3.311 8.549 397 2HB LYS 50 1HB LYS 50 -11.258 -2.160 9.253 398 1HG LYS 50 2HG LYS 50 -11.009 -3.330 11.450 399 2HG LYS 50 1HG LYS 50 -9.780 -4.365 10.722 400 1HD LYS 50 2HD LYS 50 -8.496 -2.280 10.117 401 2HD LYS 50 1HD LYS 50 -9.666 -1.353 11.055 402 1HE LYS 50 2HE LYS 50 -8.483 -3.708 12.423 403 2HE LYS 50 1HE LYS 50 -7.384 -2.363 12.116 404 1HZ LYS 50 1HZ LYS 50 -9.572 -1.099 13.012 405 2HZ LYS 50 3HZ LYS 50 -9.635 -2.531 13.918 406 3HZ LYS 50 2HZ LYS 50 -8.255 -1.543 13.989 407 H GLU 51 H GLU 51 -14.001 -2.574 8.992 408 HA GLU 51 HA GLU 51 -14.703 -2.345 11.726 409 1HB GLU 51 2HB GLU 51 -15.570 -0.879 9.891 410 2HB GLU 51 1HB GLU 51 -16.588 -2.214 9.353 411 1HG GLU 51 2HG GLU 51 -17.633 -2.270 11.625 412 2HG GLU 51 1HG GLU 51 -16.686 -0.848 12.059 413 H ALA 52 H ALA 52 -15.544 -4.784 9.327 414 HA ALA 52 HA ALA 52 -17.649 -6.051 10.797 415 1HB ALA 52 1HB ALA 52 -17.598 -6.866 8.644 416 2HB ALA 52 2HB ALA 52 -16.637 -8.124 9.420 417 3HB ALA 52 3HB ALA 52 -15.838 -6.812 8.554 418 H LYS 53 H LYS 53 -14.160 -6.179 11.055 419 HA LYS 53 HA LYS 53 -13.922 -8.606 12.540 420 1HB LYS 53 2HB LYS 53 -11.999 -7.344 11.561 421 2HB LYS 53 1HB LYS 53 -12.223 -6.106 12.796 422 1HG LYS 53 2HG LYS 53 -11.890 -7.837 14.553 423 2HG LYS 53 1HG LYS 53 -11.588 -9.031 13.290 424 1HD LYS 53 2HD LYS 53 -9.703 -7.602 12.464 425 2HD LYS 53 1HD LYS 53 -9.962 -6.530 13.841 426 1HE LYS 53 2HE LYS 53 -8.843 -7.919 15.222 427 2HE LYS 53 1HE LYS 53 -9.801 -9.303 14.695 428 1HZ LYS 53 3HZ LYS 53 -7.860 -8.335 12.776 429 2HZ LYS 53 2HZ LYS 53 -7.198 -9.010 14.188 430 3HZ LYS 53 1HZ LYS 53 -8.251 -9.925 13.218 431 H SER 54 H SER 54 -14.731 -5.305 13.508 432 HA SER 54 HA SER 54 -14.493 -5.642 16.326 433 1HB SER 54 2HB SER 54 -16.519 -3.931 14.852 434 2HB SER 54 1HB SER 54 -15.959 -3.706 16.509 435 HG SER 54 HG SER 54 -14.939 -2.436 14.715 436 H GLN 55 H GLN 55 -16.940 -6.686 14.054 437 HA GLN 55 HA GLN 55 -18.884 -7.964 14.364 438 1HB GLN 55 2HB GLN 55 -17.410 -8.725 16.905 439 2HB GLN 55 1HB GLN 55 -18.807 -9.578 16.248 440 1HG GLN 55 2HG GLN 55 -17.564 -10.095 14.202 441 2HG GLN 55 1HG GLN 55 -16.178 -9.174 14.787 442 1HE2 GLN 55 1HE2 GLN 55 -15.909 -11.946 14.171 443 2HE2 GLN 55 2HE2 GLN 55 -15.650 -12.802 15.614 No H/Q in entry = 443 Start of MODEL 24 1 H1 LYS 1 1H LYS 1 -15.309 -0.894 -43.675 2 H2 LYS 1 3H LYS 1 -15.463 0.647 -44.366 3 H3 LYS 1 2H LYS 1 -16.329 -0.663 -45.014 4 HA LYS 1 HA LYS 1 -14.327 -1.714 -45.762 5 1HB LYS 1 2HB LYS 1 -14.459 1.237 -46.454 6 2HB LYS 1 1HB LYS 1 -13.558 0.030 -47.372 7 1HG LYS 1 2HG LYS 1 -15.684 -1.234 -47.717 8 2HG LYS 1 1HG LYS 1 -16.554 0.059 -46.892 9 1HD LYS 1 2HD LYS 1 -15.670 1.670 -48.594 10 2HD LYS 1 1HD LYS 1 -14.944 0.310 -49.451 11 1HE LYS 1 2HE LYS 1 -17.709 -0.275 -48.867 12 2HE LYS 1 1HE LYS 1 -17.593 1.276 -49.697 13 1HZ LYS 1 2HZ LYS 1 -16.004 -0.976 -50.695 14 2HZ LYS 1 1HZ LYS 1 -17.669 -0.949 -51.032 15 3HZ LYS 1 3HZ LYS 1 -16.681 0.330 -51.544 16 H ASN 2 H ASN 2 -11.915 -1.145 -46.259 17 HA ASN 2 HA ASN 2 -10.472 -1.022 -43.836 18 1HB ASN 2 2HB ASN 2 -9.568 -0.301 -46.641 19 2HB ASN 2 1HB ASN 2 -8.482 -0.552 -45.274 20 1HD2 ASN 2 1HD2 ASN 2 -8.327 -2.237 -47.574 21 2HD2 ASN 2 2HD2 ASN 2 -8.844 -3.795 -47.142 22 H GLU 3 H GLU 3 -11.474 1.569 -46.023 23 HA GLU 3 HA GLU 3 -9.912 3.670 -44.905 24 1HB GLU 3 2HB GLU 3 -11.254 3.834 -47.017 25 2HB GLU 3 1HB GLU 3 -12.719 3.883 -46.036 26 1HG GLU 3 2HG GLU 3 -11.802 5.895 -44.860 27 2HG GLU 3 1HG GLU 3 -10.432 5.875 -45.971 28 H ASP 4 H ASP 4 -12.883 2.135 -43.825 29 HA ASP 4 HA ASP 4 -13.751 4.090 -41.955 30 1HB ASP 4 2HB ASP 4 -14.999 1.995 -42.655 31 2HB ASP 4 1HB ASP 4 -13.937 1.091 -41.575 32 H GLN 5 H GLN 5 -11.159 1.734 -41.808 33 HA GLN 5 HA GLN 5 -10.745 1.810 -38.967 34 1HB GLN 5 2HB GLN 5 -8.829 1.239 -41.247 35 2HB GLN 5 1HB GLN 5 -8.441 0.994 -39.545 36 1HG GLN 5 2HG GLN 5 -10.314 -0.587 -39.332 37 2HG GLN 5 1HG GLN 5 -10.742 -0.322 -41.022 38 1HE2 GLN 5 1HE2 GLN 5 -10.088 -2.935 -40.209 39 2HE2 GLN 5 2HE2 GLN 5 -8.581 -3.372 -40.855 40 H GLU 6 H GLU 6 -9.628 3.851 -41.628 41 HA GLU 6 HA GLU 6 -7.659 5.319 -40.162 42 1HB GLU 6 2HB GLU 6 -7.962 5.365 -42.662 43 2HB GLU 6 1HB GLU 6 -9.399 6.357 -42.417 44 1HG GLU 6 2HG GLU 6 -8.005 8.029 -41.212 45 2HG GLU 6 1HG GLU 6 -6.576 7.051 -41.546 46 H MET 7 H MET 7 -11.138 5.911 -40.690 47 HA MET 7 HA MET 7 -11.281 8.385 -39.286 48 1HB MET 7 2HB MET 7 -13.378 6.208 -39.558 49 2HB MET 7 1HB MET 7 -13.694 7.857 -39.022 50 1HG MET 7 2HG MET 7 -12.637 7.002 -41.730 51 2HG MET 7 1HG MET 7 -14.217 7.707 -41.385 52 1HE MET 7 3HE MET 7 -14.349 9.497 -39.786 53 2HE MET 7 2HE MET 7 -13.044 10.572 -39.292 54 3HE MET 7 1HE MET 7 -14.077 11.018 -40.647 55 H CYS 8 H CYS 8 -11.029 5.095 -38.165 56 HA CYS 8 HA CYS 8 -11.998 5.555 -35.490 57 1HB CYS 8 2HB CYS 8 -10.151 3.441 -36.625 58 2HB CYS 8 1HB CYS 8 -10.776 3.420 -34.975 59 H HIS 9 H HIS 9 -8.803 5.794 -37.002 60 HA HIS 9 HA HIS 9 -7.140 6.021 -34.786 61 1HB HIS 9 2HB HIS 9 -6.033 6.266 -36.836 62 2HB HIS 9 1HB HIS 9 -7.203 7.437 -37.441 63 HD1 HIS 9 HD1 HIS 9 -7.184 9.789 -35.907 64 HD2 HIS 9 HD2 HIS 9 -3.707 7.492 -36.004 65 HE1 HIS 9 HE1 HIS 9 -5.303 11.312 -35.178 66 H GLU 10 H GLU 10 -9.360 8.464 -36.093 67 HA GLU 10 HA GLU 10 -8.646 10.516 -34.193 68 1HB GLU 10 2HB GLU 10 -9.798 10.949 -36.374 69 2HB GLU 10 1HB GLU 10 -11.245 10.183 -35.720 70 1HG GLU 10 2HG GLU 10 -11.231 11.852 -33.857 71 2HG GLU 10 1HG GLU 10 -9.865 12.655 -34.630 72 H PHE 11 H PHE 11 -11.151 7.978 -34.254 73 HA PHE 11 HA PHE 11 -12.523 8.884 -31.903 74 1HB PHE 11 2HB PHE 11 -12.893 6.817 -33.728 75 2HB PHE 11 1HB PHE 11 -12.515 5.975 -32.225 76 HD1 PHE 11 HD1 PHE 11 -13.612 7.490 -30.106 77 HD2 PHE 11 HD2 PHE 11 -15.222 6.961 -34.056 78 HE1 PHE 11 HE1 PHE 11 -15.884 7.991 -29.254 79 HE2 PHE 11 HE2 PHE 11 -17.477 7.472 -33.207 80 HZ PHE 11 HZ PHE 11 -17.818 7.986 -30.805 81 H GLN 12 H GLN 12 -9.420 7.587 -32.299 82 HA GLN 12 HA GLN 12 -9.171 6.073 -29.866 83 1HB GLN 12 2HB GLN 12 -7.082 7.623 -31.432 84 2HB GLN 12 1HB GLN 12 -6.728 6.467 -30.148 85 1HG GLN 12 2HG GLN 12 -7.749 4.665 -31.424 86 2HG GLN 12 1HG GLN 12 -8.281 5.798 -32.666 87 1HE2 GLN 12 1HE2 GLN 12 -6.573 3.609 -33.335 88 2HE2 GLN 12 2HE2 GLN 12 -5.050 4.221 -33.768 89 H ALA 13 H ALA 13 -8.505 9.496 -30.651 90 HA ALA 13 HA ALA 13 -7.518 10.370 -28.185 91 1HB ALA 13 2HB ALA 13 -8.024 11.714 -30.365 92 2HB ALA 13 1HB ALA 13 -9.613 11.975 -29.645 93 3HB ALA 13 3HB ALA 13 -8.164 12.546 -28.816 94 H PHE 14 H PHE 14 -10.947 10.089 -29.160 95 HA PHE 14 HA PHE 14 -12.080 10.863 -26.672 96 1HB PHE 14 2HB PHE 14 -13.081 8.927 -28.782 97 2HB PHE 14 1HB PHE 14 -14.053 9.473 -27.418 98 HD1 PHE 14 HD1 PHE 14 -14.529 11.945 -27.149 99 HD2 PHE 14 HD2 PHE 14 -12.763 10.299 -30.702 100 HE1 PHE 14 HE1 PHE 14 -15.130 14.000 -28.400 101 HE2 PHE 14 HE2 PHE 14 -13.366 12.354 -31.953 102 HZ PHE 14 HZ PHE 14 -14.550 14.204 -30.802 103 H MET 15 H MET 15 -10.431 7.976 -27.639 104 HA MET 15 HA MET 15 -11.504 6.310 -25.491 105 1HB MET 15 2HB MET 15 -10.639 5.389 -27.667 106 2HB MET 15 1HB MET 15 -9.018 5.875 -27.170 107 1HG MET 15 2HG MET 15 -9.282 4.477 -25.113 108 2HG MET 15 1HG MET 15 -10.834 3.916 -25.734 109 1HE MET 15 3HE MET 15 -7.245 4.330 -26.026 110 2HE MET 15 2HE MET 15 -6.606 2.994 -26.981 111 3HE MET 15 1HE MET 15 -7.231 4.428 -27.792 112 H LYS 16 H LYS 16 -10.760 6.292 -23.420 113 HA LYS 16 HA LYS 16 -8.007 7.327 -22.910 114 1HB LYS 16 2HB LYS 16 -10.482 8.028 -21.300 115 2HB LYS 16 1HB LYS 16 -8.835 8.538 -20.932 116 1HG LYS 16 2HG LYS 16 -8.747 9.648 -23.185 117 2HG LYS 16 1HG LYS 16 -10.454 9.257 -23.393 118 1HD LYS 16 2HD LYS 16 -10.976 10.524 -21.321 119 2HD LYS 16 1HD LYS 16 -9.271 10.951 -21.169 120 1HE LYS 16 2HE LYS 16 -10.159 11.557 -23.837 121 2HE LYS 16 1HE LYS 16 -11.266 12.296 -22.679 122 1HZ LYS 16 1HZ LYS 16 -8.393 12.513 -22.170 123 2HZ LYS 16 3HZ LYS 16 -9.051 13.477 -23.400 124 3HZ LYS 16 2HZ LYS 16 -9.643 13.606 -21.813 125 H ASN 17 H ASN 17 -6.911 6.246 -21.261 126 HA ASN 17 HA ASN 17 -6.409 4.424 -19.871 127 1HB ASN 17 2HB ASN 17 -8.268 5.791 -18.597 128 2HB ASN 17 1HB ASN 17 -9.272 4.391 -18.973 129 1HD2 ASN 17 1HD2 ASN 17 -9.141 4.239 -16.447 130 2HD2 ASN 17 2HD2 ASN 17 -7.846 3.346 -15.809 131 H GLY 18 H GLY 18 -7.702 3.980 -22.602 132 1HA GLY 18 1HA GLY 18 -8.125 1.086 -22.224 133 2HA GLY 18 2HA GLY 18 -7.960 1.914 -23.773 134 H LYS 19 H LYS 19 -10.075 3.725 -22.004 135 HA LYS 19 HA LYS 19 -12.463 2.115 -22.752 136 1HB LYS 19 2HB LYS 19 -12.118 3.176 -20.417 137 2HB LYS 19 1HB LYS 19 -12.476 4.709 -21.211 138 1HG LYS 19 2HG LYS 19 -14.451 2.919 -22.118 139 2HG LYS 19 1HG LYS 19 -14.298 2.608 -20.389 140 1HD LYS 19 2HD LYS 19 -14.265 5.290 -20.317 141 2HD LYS 19 1HD LYS 19 -15.192 5.077 -21.803 142 1HE LYS 19 2HE LYS 19 -16.967 4.079 -20.715 143 2HE LYS 19 1HE LYS 19 -15.945 3.401 -19.448 144 1HZ LYS 19 1HZ LYS 19 -15.774 6.183 -19.299 145 2HZ LYS 19 3HZ LYS 19 -17.419 5.785 -19.405 146 3HZ LYS 19 2HZ LYS 19 -16.462 5.113 -18.173 147 H LEU 20 H LEU 20 -13.690 2.729 -24.495 148 HA LEU 20 HA LEU 20 -12.838 5.108 -26.006 149 1HB LEU 20 2HB LEU 20 -13.288 3.186 -27.363 150 2HB LEU 20 1HB LEU 20 -14.832 2.897 -26.562 151 HG LEU 20 HG LEU 20 -15.554 5.197 -27.439 152 1HD1 LEU 20 1HD1 LEU 20 -12.835 5.225 -28.242 153 2HD1 LEU 20 3HD1 LEU 20 -13.800 5.131 -29.717 154 3HD1 LEU 20 2HD1 LEU 20 -14.066 6.445 -28.569 155 1HD2 LEU 20 3HD2 LEU 20 -15.221 2.671 -28.905 156 2HD2 LEU 20 2HD2 LEU 20 -16.650 3.689 -28.720 157 3HD2 LEU 20 1HD2 LEU 20 -15.441 4.080 -29.944 158 H PHE 21 H PHE 21 -13.648 7.018 -25.255 159 HA PHE 21 HA PHE 21 -16.304 7.130 -24.004 160 1HB PHE 21 2HB PHE 21 -14.234 9.250 -24.650 161 2HB PHE 21 1HB PHE 21 -15.786 9.610 -23.894 162 HD1 PHE 21 HD1 PHE 21 -12.779 7.411 -23.515 163 HD2 PHE 21 HD2 PHE 21 -16.020 9.445 -21.562 164 HE1 PHE 21 HE1 PHE 21 -11.851 6.770 -21.306 165 HE2 PHE 21 HE2 PHE 21 -15.091 8.805 -19.354 166 HZ PHE 21 HZ PHE 21 -13.006 7.469 -19.226 167 H CYS 22 H CYS 22 -18.148 7.519 -25.146 168 HA CYS 22 HA CYS 22 -17.843 8.431 -27.969 169 1HB CYS 22 2HB CYS 22 -19.015 6.191 -27.226 170 2HB CYS 22 1HB CYS 22 -20.377 7.255 -26.876 171 HA PRO 23 HA PRO 23 -19.945 11.934 -25.577 172 1HB PRO 23 2HB PRO 23 -18.238 13.881 -26.347 173 2HB PRO 23 1HB PRO 23 -17.977 12.897 -24.905 174 1HG PRO 23 2HG PRO 23 -16.766 12.629 -27.630 175 2HG PRO 23 1HG PRO 23 -15.988 12.495 -26.050 176 1HD PRO 23 2HD PRO 23 -16.684 10.320 -27.500 177 2HD PRO 23 1HD PRO 23 -16.706 10.327 -25.736 178 H GLN 24 H GLN 24 -19.928 14.381 -26.933 179 HA GLN 24 HA GLN 24 -21.278 13.604 -29.472 180 1HB GLN 24 2HB GLN 24 -22.575 14.946 -27.818 181 2HB GLN 24 1HB GLN 24 -21.380 16.236 -27.966 182 1HG GLN 24 2HG GLN 24 -21.866 16.406 -30.383 183 2HG GLN 24 1HG GLN 24 -23.063 15.119 -30.232 184 1HE2 GLN 24 1HE2 GLN 24 -24.099 17.458 -31.172 185 2HE2 GLN 24 2HE2 GLN 24 -24.963 18.287 -29.968 186 H ASP 25 H ASP 25 -20.102 13.876 -31.301 187 HA ASP 25 HA ASP 25 -17.671 15.509 -31.282 188 1HB ASP 25 2HB ASP 25 -17.812 13.357 -32.529 189 2HB ASP 25 1HB ASP 25 -19.025 14.076 -33.587 190 H LYS 26 H LYS 26 -17.501 17.581 -32.043 191 HA LYS 26 HA LYS 26 -19.899 19.066 -32.679 192 1HB LYS 26 2HB LYS 26 -16.968 19.803 -32.937 193 2HB LYS 26 1HB LYS 26 -18.304 20.936 -33.140 194 1HG LYS 26 2HG LYS 26 -19.066 20.419 -30.833 195 2HG LYS 26 1HG LYS 26 -17.686 19.339 -30.635 196 1HD LYS 26 2HD LYS 26 -16.165 21.267 -31.097 197 2HD LYS 26 1HD LYS 26 -17.575 22.324 -31.163 198 1HE LYS 26 2HE LYS 26 -18.153 21.667 -28.839 199 2HE LYS 26 1HE LYS 26 -16.707 20.660 -28.779 200 1HZ LYS 26 1HZ LYS 26 -16.180 23.339 -29.657 201 2HZ LYS 26 3HZ LYS 26 -16.838 23.282 -28.095 202 3HZ LYS 26 2HZ LYS 26 -15.415 22.423 -28.447 203 H LYS 27 H LYS 27 -17.328 17.590 -34.582 204 HA LYS 27 HA LYS 27 -18.599 18.626 -37.072 205 1HB LYS 27 2HB LYS 27 -15.868 17.664 -36.348 206 2HB LYS 27 1HB LYS 27 -16.423 17.358 -37.994 207 1HG LYS 27 2HG LYS 27 -16.983 20.082 -37.007 208 2HG LYS 27 1HG LYS 27 -15.267 19.703 -37.161 209 1HD LYS 27 2HD LYS 27 -15.410 19.953 -39.393 210 2HD LYS 27 1HD LYS 27 -16.614 18.666 -39.462 211 1HE LYS 27 2HE LYS 27 -17.911 20.388 -40.273 212 2HE LYS 27 1HE LYS 27 -18.186 20.645 -38.550 213 1HZ LYS 27 2HZ LYS 27 -15.863 21.910 -39.821 214 2HZ LYS 27 1HZ LYS 27 -17.399 22.591 -40.068 215 3HZ LYS 27 3HZ LYS 27 -16.787 22.433 -38.495 216 HA PRO 28 HA PRO 28 -20.413 14.419 -36.928 217 1HB PRO 28 2HB PRO 28 -22.443 15.009 -38.611 218 2HB PRO 28 1HB PRO 28 -22.486 15.379 -36.885 219 1HG PRO 28 2HG PRO 28 -21.843 17.175 -39.195 220 2HG PRO 28 1HG PRO 28 -22.847 17.502 -37.779 221 1HD PRO 28 1HD PRO 28 -20.304 18.394 -37.970 222 2HD PRO 28 2HD PRO 28 -21.023 17.935 -36.426 223 H ILE 29 H ILE 29 -19.894 12.771 -38.297 224 HA ILE 29 HA ILE 29 -19.096 13.494 -41.089 225 HB ILE 29 HB ILE 29 -17.268 12.608 -39.604 226 1HG1 ILE 29 2HG1 ILE 29 -18.182 11.187 -42.092 227 2HG1 ILE 29 1HG1 ILE 29 -16.822 12.284 -41.880 228 1HG2 ILE 29 1HG2 ILE 29 -19.227 10.894 -38.709 229 2HG2 ILE 29 3HG2 ILE 29 -18.292 9.848 -39.776 230 3HG2 ILE 29 2HG2 ILE 29 -17.502 10.673 -38.434 231 1HD1 ILE 29 1HD1 ILE 29 -15.940 10.400 -40.265 232 2HD1 ILE 29 3HD1 ILE 29 -17.049 9.378 -41.179 233 3HD1 ILE 29 2HD1 ILE 29 -15.743 10.224 -42.010 234 H GLN 30 H GLN 30 -19.694 11.943 -42.758 235 HA GLN 30 HA GLN 30 -22.217 10.533 -42.093 236 1HB GLN 30 2HB GLN 30 -20.902 11.211 -44.740 237 2HB GLN 30 1HB GLN 30 -22.417 10.321 -44.589 238 1HG GLN 30 2HG GLN 30 -23.365 12.247 -43.303 239 2HG GLN 30 1HG GLN 30 -21.874 13.139 -43.605 240 1HE2 GLN 30 1HE2 GLN 30 -24.446 14.026 -44.590 241 2HE2 GLN 30 2HE2 GLN 30 -24.407 13.950 -46.285 242 H SER 31 H SER 31 -22.190 8.370 -41.762 243 HA SER 31 HA SER 31 -19.744 6.861 -42.498 244 1HB SER 31 2HB SER 31 -20.216 5.482 -40.742 245 2HB SER 31 1HB SER 31 -21.191 6.848 -40.203 246 HG SER 31 HG SER 31 -22.951 5.879 -41.367 247 H LEU 32 H LEU 32 -20.202 4.525 -43.250 248 HA LEU 32 HA LEU 32 -22.310 4.637 -45.365 249 1HB LEU 32 2HB LEU 32 -20.850 2.739 -46.364 250 2HB LEU 32 1HB LEU 32 -20.222 4.385 -46.445 251 HG LEU 32 HG LEU 32 -19.558 2.915 -43.965 252 1HD1 LEU 32 1HD1 LEU 32 -18.677 2.000 -46.696 253 2HD1 LEU 32 3HD1 LEU 32 -17.606 1.820 -45.306 254 3HD1 LEU 32 2HD1 LEU 32 -19.182 1.028 -45.314 255 1HD2 LEU 32 3HD2 LEU 32 -18.396 4.922 -45.819 256 2HD2 LEU 32 2HD2 LEU 32 -18.356 4.862 -44.057 257 3HD2 LEU 32 1HD2 LEU 32 -17.241 3.872 -44.998 258 H ASP 33 H ASP 33 -21.644 3.263 -42.389 259 HA ASP 33 HA ASP 33 -22.675 0.584 -42.888 260 1HB ASP 33 2HB ASP 33 -22.184 2.174 -40.362 261 2HB ASP 33 1HB ASP 33 -22.823 0.531 -40.349 262 H GLY 34 H GLY 34 -24.167 3.519 -42.995 263 1HA GLY 34 1HA GLY 34 -26.792 2.284 -42.343 264 2HA GLY 34 2HA GLY 34 -26.557 3.712 -43.351 265 H ILE 35 H ILE 35 -24.497 4.210 -40.873 266 HA ILE 35 HA ILE 35 -26.590 5.471 -39.146 267 HB ILE 35 HB ILE 35 -23.739 4.877 -38.329 268 1HG1 ILE 35 2HG1 ILE 35 -26.114 3.135 -37.671 269 2HG1 ILE 35 1HG1 ILE 35 -25.111 2.822 -39.087 270 1HG2 ILE 35 1HG2 ILE 35 -26.321 5.482 -36.866 271 2HG2 ILE 35 3HG2 ILE 35 -24.860 4.913 -36.056 272 3HG2 ILE 35 2HG2 ILE 35 -24.855 6.461 -36.902 273 1HD1 ILE 35 1HD1 ILE 35 -23.642 3.291 -36.551 274 2HD1 ILE 35 3HD1 ILE 35 -24.578 1.798 -36.627 275 3HD1 ILE 35 2HD1 ILE 35 -23.331 2.119 -37.832 276 H MET 36 H MET 36 -25.831 7.556 -38.106 277 HA MET 36 HA MET 36 -24.276 9.135 -40.109 278 1HB MET 36 2HB MET 36 -26.319 9.976 -38.032 279 2HB MET 36 1HB MET 36 -25.390 11.111 -39.011 280 1HG MET 36 2HG MET 36 -26.287 9.980 -41.064 281 2HG MET 36 1HG MET 36 -27.315 8.997 -40.022 282 1HE MET 36 2HE MET 36 -26.047 12.625 -39.956 283 2HE MET 36 1HE MET 36 -26.634 12.466 -41.610 284 3HE MET 36 3HE MET 36 -27.438 13.568 -40.484 285 H PHE 37 H PHE 37 -22.163 9.081 -39.421 286 HA PHE 37 HA PHE 37 -20.310 9.564 -38.084 287 1HB PHE 37 2HB PHE 37 -21.279 11.722 -37.632 288 2HB PHE 37 1HB PHE 37 -22.411 11.028 -36.472 289 HD1 PHE 37 HD1 PHE 37 -18.836 11.786 -37.114 290 HD2 PHE 37 HD2 PHE 37 -21.743 10.494 -34.227 291 HE1 PHE 37 HE1 PHE 37 -17.162 12.058 -35.307 292 HE2 PHE 37 HE2 PHE 37 -20.068 10.768 -32.419 293 HZ PHE 37 HZ PHE 37 -17.777 11.547 -32.960 294 H ILE 38 H ILE 38 -23.048 8.863 -35.890 295 HA ILE 38 HA ILE 38 -21.732 7.647 -33.801 296 HB ILE 38 HB ILE 38 -24.269 6.686 -35.155 297 1HG1 ILE 38 2HG1 ILE 38 -23.787 8.453 -32.737 298 2HG1 ILE 38 1HG1 ILE 38 -24.339 9.007 -34.317 299 1HG2 ILE 38 2HG2 ILE 38 -22.814 5.803 -32.699 300 2HG2 ILE 38 1HG2 ILE 38 -24.574 5.880 -32.630 301 3HG2 ILE 38 3HG2 ILE 38 -23.782 4.857 -33.829 302 1HD1 ILE 38 3HD1 ILE 38 -26.098 6.944 -33.714 303 2HD1 ILE 38 2HD1 ILE 38 -25.855 7.737 -32.158 304 3HD1 ILE 38 1HD1 ILE 38 -26.437 8.666 -33.539 305 H ASN 39 H ASN 39 -22.045 6.416 -37.070 306 HA ASN 39 HA ASN 39 -21.475 3.687 -36.675 307 1HB ASN 39 2HB ASN 39 -21.959 4.776 -38.895 308 2HB ASN 39 1HB ASN 39 -20.309 5.399 -38.885 309 1HD2 ASN 39 1HD2 ASN 39 -19.089 4.087 -40.280 310 2HD2 ASN 39 2HD2 ASN 39 -19.151 2.392 -40.314 311 H LYS 40 H LYS 40 -19.082 6.310 -37.244 312 HA LYS 40 HA LYS 40 -16.737 4.875 -36.966 313 1HB LYS 40 2HB LYS 40 -17.336 7.572 -35.719 314 2HB LYS 40 1HB LYS 40 -15.721 6.911 -35.973 315 1HG LYS 40 2HG LYS 40 -16.135 6.821 -38.402 316 2HG LYS 40 1HG LYS 40 -17.754 7.479 -38.150 317 1HD LYS 40 2HD LYS 40 -16.135 9.249 -38.794 318 2HD LYS 40 1HD LYS 40 -16.791 9.518 -37.179 319 1HE LYS 40 2HE LYS 40 -14.403 7.834 -37.141 320 2HE LYS 40 1HE LYS 40 -14.092 9.426 -37.835 321 1HZ LYS 40 2HZ LYS 40 -15.662 9.971 -35.695 322 2HZ LYS 40 1HZ LYS 40 -14.692 8.698 -35.124 323 3HZ LYS 40 3HZ LYS 40 -13.969 10.106 -35.732 324 H CYS 41 H CYS 41 -18.662 6.225 -34.314 325 HA CYS 41 HA CYS 41 -17.076 5.104 -32.197 326 1HB CYS 41 2HB CYS 41 -18.852 6.982 -32.104 327 2HB CYS 41 1HB CYS 41 -20.025 5.685 -32.047 328 H ALA 42 H ALA 42 -20.137 4.076 -33.705 329 HA ALA 42 HA ALA 42 -20.387 1.662 -32.164 330 1HB ALA 42 3HB ALA 42 -21.635 1.439 -34.758 331 2HB ALA 42 2HB ALA 42 -22.393 1.608 -33.174 332 3HB ALA 42 1HB ALA 42 -21.920 3.043 -34.084 333 H THR 43 H THR 43 -18.479 2.445 -34.977 334 HA THR 43 HA THR 43 -18.043 -0.464 -35.485 335 HB THR 43 HB THR 43 -16.807 0.451 -37.540 336 HG1 THR 43 HG1 THR 43 -16.579 2.571 -36.810 337 1HG2 THR 43 1HG2 THR 43 -19.771 0.840 -37.093 338 2HG2 THR 43 3HG2 THR 43 -19.022 1.037 -38.678 339 3HG2 THR 43 2HG2 THR 43 -18.960 -0.525 -37.861 340 H CYS 44 H CYS 44 -16.331 2.552 -34.756 341 HA CYS 44 HA CYS 44 -13.705 1.383 -34.770 342 1HB CYS 44 2HB CYS 44 -14.764 3.869 -33.404 343 2HB CYS 44 1HB CYS 44 -13.055 3.444 -33.523 344 H LYS 45 H LYS 45 -16.290 1.249 -32.489 345 HA LYS 45 HA LYS 45 -14.757 0.921 -30.092 346 1HB LYS 45 2HB LYS 45 -17.259 1.249 -30.195 347 2HB LYS 45 1HB LYS 45 -17.399 -0.417 -30.758 348 1HG LYS 45 2HG LYS 45 -16.278 -1.202 -28.698 349 2HG LYS 45 1HG LYS 45 -16.154 0.465 -28.134 350 1HD LYS 45 2HD LYS 45 -18.620 0.660 -28.188 351 2HD LYS 45 1HD LYS 45 -18.736 -1.014 -28.733 352 1HE LYS 45 2HE LYS 45 -18.545 -1.767 -26.619 353 2HE LYS 45 1HE LYS 45 -17.057 -0.851 -26.385 354 1HZ LYS 45 2HZ LYS 45 -18.880 1.093 -26.305 355 2HZ LYS 45 1HZ LYS 45 -19.776 -0.187 -25.639 356 3HZ LYS 45 3HZ LYS 45 -18.309 0.280 -24.927 357 H MET 46 H MET 46 -15.851 -1.382 -32.567 358 HA MET 46 HA MET 46 -14.531 -3.621 -31.190 359 1HB MET 46 2HB MET 46 -15.867 -3.420 -33.909 360 2HB MET 46 1HB MET 46 -15.236 -4.913 -33.213 361 1HG MET 46 2HG MET 46 -16.748 -4.571 -31.244 362 2HG MET 46 1HG MET 46 -17.442 -3.174 -32.067 363 1HE MET 46 3HE MET 46 -19.703 -3.864 -32.024 364 2HE MET 46 2HE MET 46 -20.417 -5.349 -32.647 365 3HE MET 46 1HE MET 46 -19.449 -5.395 -31.175 366 H ILE 47 H ILE 47 -13.858 -1.312 -33.715 367 HA ILE 47 HA ILE 47 -11.503 -2.773 -34.696 368 HB ILE 47 HB ILE 47 -12.558 0.014 -35.264 369 1HG1 ILE 47 1HG1 ILE 47 -14.037 -1.619 -36.188 370 2HG1 ILE 47 2HG1 ILE 47 -13.012 -1.090 -37.522 371 1HG2 ILE 47 1HG2 ILE 47 -9.967 -1.091 -35.725 372 2HG2 ILE 47 3HG2 ILE 47 -10.788 -0.968 -37.282 373 3HG2 ILE 47 2HG2 ILE 47 -10.600 0.464 -36.268 374 1HD1 ILE 47 1HD1 ILE 47 -11.511 -3.055 -37.053 375 2HD1 ILE 47 3HD1 ILE 47 -12.697 -3.615 -35.874 376 3HD1 ILE 47 2HD1 ILE 47 -13.131 -3.510 -37.580 377 H LEU 48 H LEU 48 -12.275 -0.404 -32.281 378 HA LEU 48 HA LEU 48 -9.496 0.526 -32.015 379 1HB LEU 48 2HB LEU 48 -11.463 2.024 -31.582 380 2HB LEU 48 1HB LEU 48 -11.875 1.015 -30.197 381 HG LEU 48 HG LEU 48 -9.909 1.624 -29.025 382 1HD1 LEU 48 1HD1 LEU 48 -8.931 2.483 -31.742 383 2HD1 LEU 48 3HD1 LEU 48 -8.191 3.137 -30.281 384 3HD1 LEU 48 2HD1 LEU 48 -8.162 1.400 -30.581 385 1HD2 LEU 48 1HD2 LEU 48 -10.836 4.061 -30.578 386 2HD2 LEU 48 3HD2 LEU 48 -11.564 3.439 -29.096 387 3HD2 LEU 48 2HD2 LEU 48 -9.931 4.105 -29.064 388 H GLU 49 H GLU 49 -11.461 -2.029 -30.831 389 HA GLU 49 HA GLU 49 -9.977 -2.427 -28.342 390 1HB GLU 49 2HB GLU 49 -12.051 -4.014 -29.855 391 2HB GLU 49 1HB GLU 49 -11.204 -4.711 -28.474 392 1HG GLU 49 2HG GLU 49 -11.928 -2.783 -27.084 393 2HG GLU 49 1HG GLU 49 -12.818 -2.141 -28.464 394 H LYS 50 H LYS 50 -9.786 -3.529 -31.666 395 HA LYS 50 HA LYS 50 -8.080 -5.788 -31.256 396 1HB LYS 50 2HB LYS 50 -8.246 -3.892 -33.620 397 2HB LYS 50 1HB LYS 50 -7.442 -5.462 -33.634 398 1HG LYS 50 2HG LYS 50 -9.582 -6.562 -33.075 399 2HG LYS 50 1HG LYS 50 -10.385 -4.992 -33.062 400 1HD LYS 50 2HD LYS 50 -9.752 -4.665 -35.438 401 2HD LYS 50 1HD LYS 50 -8.993 -6.257 -35.444 402 1HE LYS 50 2HE LYS 50 -11.011 -7.369 -35.420 403 2HE LYS 50 1HE LYS 50 -11.818 -6.100 -34.499 404 1HZ LYS 50 1HZ LYS 50 -11.125 -4.908 -36.859 405 2HZ LYS 50 3HZ LYS 50 -11.646 -6.453 -37.325 406 3HZ LYS 50 2HZ LYS 50 -12.676 -5.447 -36.422 407 H GLU 51 H GLU 51 -7.433 -2.326 -31.541 408 HA GLU 51 HA GLU 51 -4.628 -2.392 -31.864 409 1HB GLU 51 2HB GLU 51 -6.307 -0.450 -30.246 410 2HB GLU 51 1HB GLU 51 -4.636 -0.173 -30.737 411 1HG GLU 51 2HG GLU 51 -5.320 -0.398 -33.115 412 2HG GLU 51 1HG GLU 51 -6.993 -0.610 -32.598 413 H ALA 52 H ALA 52 -6.601 -2.778 -28.945 414 HA ALA 52 HA ALA 52 -4.443 -2.731 -27.063 415 1HB ALA 52 1HB ALA 52 -6.110 -4.209 -25.706 416 2HB ALA 52 3HB ALA 52 -6.581 -2.555 -26.098 417 3HB ALA 52 2HB ALA 52 -7.219 -3.901 -27.043 418 H LYS 53 H LYS 53 -5.647 -5.191 -29.238 419 HA LYS 53 HA LYS 53 -4.473 -7.477 -27.979 420 1HB LYS 53 2HB LYS 53 -6.145 -7.599 -29.824 421 2HB LYS 53 1HB LYS 53 -4.923 -6.990 -30.940 422 1HG LYS 53 2HG LYS 53 -3.476 -8.939 -30.354 423 2HG LYS 53 1HG LYS 53 -4.776 -9.564 -29.340 424 1HD LYS 53 2HD LYS 53 -6.271 -9.561 -31.353 425 2HD LYS 53 1HD LYS 53 -4.884 -9.087 -32.334 426 1HE LYS 53 2HE LYS 53 -3.733 -11.174 -31.251 427 2HE LYS 53 1HE LYS 53 -5.383 -11.682 -30.893 428 1HZ LYS 53 3HZ LYS 53 -4.535 -10.841 -33.601 429 2HZ LYS 53 2HZ LYS 53 -4.425 -12.453 -33.074 430 3HZ LYS 53 1HZ LYS 53 -5.938 -11.685 -33.159 431 H SER 54 H SER 54 -3.173 -4.997 -30.118 432 HA SER 54 HA SER 54 -0.735 -6.304 -30.820 433 1HB SER 54 2HB SER 54 -1.163 -3.334 -30.381 434 2HB SER 54 1HB SER 54 0.098 -4.082 -31.360 435 HG SER 54 HG SER 54 -2.410 -3.460 -32.040 436 H GLN 55 H GLN 55 -1.772 -4.690 -27.893 437 HA GLN 55 HA GLN 55 0.978 -4.684 -26.803 438 1HB GLN 55 2HB GLN 55 -0.579 -2.777 -26.357 439 2HB GLN 55 1HB GLN 55 -1.627 -3.884 -25.471 440 1HG GLN 55 2HG GLN 55 0.217 -4.391 -23.914 441 2HG GLN 55 1HG GLN 55 1.274 -3.296 -24.804 442 1HE2 GLN 55 1HE2 GLN 55 0.923 -2.656 -22.154 443 2HE2 GLN 55 2HE2 GLN 55 -0.119 -1.327 -21.980 No H/Q in entry = 443 Start of MODEL 25 1 H1 LYS 1 2H LYS 1 -7.491 -8.451 20.871 2 H2 LYS 1 1H LYS 1 -7.628 -9.521 19.558 3 H3 LYS 1 3H LYS 1 -7.758 -10.107 21.145 4 HA LYS 1 HA LYS 1 -5.561 -10.235 21.438 5 1HB LYS 1 2HB LYS 1 -5.545 -9.761 18.442 6 2HB LYS 1 1HB LYS 1 -4.332 -10.639 19.373 7 1HG LYS 1 2HG LYS 1 -7.254 -11.429 19.162 8 2HG LYS 1 1HG LYS 1 -5.945 -12.165 18.236 9 1HD LYS 1 2HD LYS 1 -4.828 -12.737 20.424 10 2HD LYS 1 1HD LYS 1 -6.283 -12.177 21.248 11 1HE LYS 1 2HE LYS 1 -6.596 -14.162 19.031 12 2HE LYS 1 1HE LYS 1 -5.981 -14.738 20.580 13 1HZ LYS 1 3HZ LYS 1 -8.179 -12.991 20.962 14 2HZ LYS 1 2HZ LYS 1 -8.611 -14.254 19.911 15 3HZ LYS 1 1HZ LYS 1 -7.996 -14.603 21.456 16 H ASN 2 H ASN 2 -5.986 -7.640 18.997 17 HA ASN 2 HA ASN 2 -3.821 -6.132 20.388 18 1HB ASN 2 2HB ASN 2 -5.033 -5.808 17.626 19 2HB ASN 2 1HB ASN 2 -3.797 -4.745 18.300 20 1HD2 ASN 2 1HD2 ASN 2 -3.259 -6.274 15.952 21 2HD2 ASN 2 2HD2 ASN 2 -2.106 -7.462 16.328 22 H GLU 3 H GLU 3 -4.303 -4.228 21.424 23 HA GLU 3 HA GLU 3 -6.982 -3.568 22.101 24 1HB GLU 3 2HB GLU 3 -4.961 -2.845 23.386 25 2HB GLU 3 1HB GLU 3 -4.587 -1.705 22.094 26 1HG GLU 3 2HG GLU 3 -6.823 -0.647 22.435 27 2HG GLU 3 1HG GLU 3 -7.099 -1.735 23.796 28 H ASP 4 H ASP 4 -4.951 -2.551 19.421 29 HA ASP 4 HA ASP 4 -6.403 -0.270 18.568 30 1HB ASP 4 2HB ASP 4 -4.204 -1.112 17.627 31 2HB ASP 4 1HB ASP 4 -5.131 -2.321 16.737 32 H GLN 5 H GLN 5 -7.012 -3.713 18.082 33 HA GLN 5 HA GLN 5 -9.068 -3.482 16.123 34 1HB GLN 5 2HB GLN 5 -8.707 -5.536 18.327 35 2HB GLN 5 1HB GLN 5 -9.814 -5.709 16.965 36 1HG GLN 5 2HG GLN 5 -7.936 -5.575 15.392 37 2HG GLN 5 1HG GLN 5 -6.813 -5.326 16.729 38 1HE2 GLN 5 1HE2 GLN 5 -6.524 -7.566 14.971 39 2HE2 GLN 5 2HE2 GLN 5 -6.861 -8.982 15.843 40 H GLU 6 H GLU 6 -9.091 -3.042 19.612 41 HA GLU 6 HA GLU 6 -11.945 -3.093 19.957 42 1HB GLU 6 2HB GLU 6 -9.783 -1.678 21.547 43 2HB GLU 6 1HB GLU 6 -11.461 -1.838 22.065 44 1HG GLU 6 2HG GLU 6 -11.232 -4.316 21.928 45 2HG GLU 6 1HG GLU 6 -9.533 -4.113 21.504 46 H MET 7 H MET 7 -9.645 -0.540 19.105 47 HA MET 7 HA MET 7 -11.468 1.658 19.307 48 1HB MET 7 2HB MET 7 -8.920 1.176 17.778 49 2HB MET 7 1HB MET 7 -9.852 2.648 17.509 50 1HG MET 7 2HG MET 7 -9.808 3.001 20.024 51 2HG MET 7 1HG MET 7 -8.638 1.684 20.109 52 1HE MET 7 2HE MET 7 -7.115 1.468 18.165 53 2HE MET 7 1HE MET 7 -6.839 2.746 16.985 54 3HE MET 7 3HE MET 7 -5.708 2.516 18.324 55 H CYS 8 H CYS 8 -10.885 -0.739 16.805 56 HA CYS 8 HA CYS 8 -12.283 0.619 14.700 57 1HB CYS 8 2HB CYS 8 -10.768 -1.296 14.288 58 2HB CYS 8 1HB CYS 8 -11.900 -2.360 15.124 59 H HIS 9 H HIS 9 -13.337 -1.817 17.083 60 HA HIS 9 HA HIS 9 -15.945 -2.275 16.269 61 1HB HIS 9 2HB HIS 9 -15.736 -3.419 18.216 62 2HB HIS 9 1HB HIS 9 -14.491 -2.326 18.806 63 HD1 HIS 9 HD1 HIS 9 -18.159 -1.568 18.077 64 HD2 HIS 9 HD2 HIS 9 -15.481 -1.554 21.272 65 HE1 HIS 9 HE1 HIS 9 -19.397 -0.568 20.046 66 H GLU 10 H GLU 10 -14.833 0.506 18.220 67 HA GLU 10 HA GLU 10 -17.319 1.829 18.435 68 1HB GLU 10 2HB GLU 10 -14.505 2.935 18.267 69 2HB GLU 10 1HB GLU 10 -15.915 3.921 18.653 70 1HG GLU 10 2HG GLU 10 -14.951 1.497 20.202 71 2HG GLU 10 1HG GLU 10 -14.828 3.178 20.721 72 H PHE 11 H PHE 11 -14.964 1.832 15.766 73 HA PHE 11 HA PHE 11 -16.402 3.901 14.316 74 1HB PHE 11 2HB PHE 11 -13.953 2.375 13.944 75 2HB PHE 11 1HB PHE 11 -14.877 2.464 12.447 76 HD1 PHE 11 HD1 PHE 11 -16.237 5.181 13.083 77 HD2 PHE 11 HD2 PHE 11 -12.148 3.855 13.272 78 HE1 PHE 11 HE1 PHE 11 -15.463 7.511 12.784 79 HE2 PHE 11 HE2 PHE 11 -11.386 6.187 12.972 80 HZ PHE 11 HZ PHE 11 -13.040 8.017 12.732 81 H GLN 12 H GLN 12 -16.721 0.484 14.671 82 HA GLN 12 HA GLN 12 -17.986 -0.169 12.201 83 1HB GLN 12 2HB GLN 12 -17.287 -1.859 13.888 84 2HB GLN 12 1HB GLN 12 -18.570 -1.299 14.960 85 1HG GLN 12 2HG GLN 12 -20.246 -1.871 13.221 86 2HG GLN 12 1HG GLN 12 -18.950 -2.477 12.190 87 1HE2 GLN 12 1HE2 GLN 12 -20.786 -4.384 12.774 88 2HE2 GLN 12 2HE2 GLN 12 -20.237 -5.447 13.978 89 H ALA 13 H ALA 13 -19.245 1.264 15.191 90 HA ALA 13 HA ALA 13 -22.017 1.195 14.433 91 1HB ALA 13 3HB ALA 13 -20.887 1.752 16.744 92 2HB ALA 13 1HB ALA 13 -22.402 2.543 16.307 93 3HB ALA 13 2HB ALA 13 -20.873 3.403 16.124 94 H PHE 14 H PHE 14 -19.425 3.578 13.961 95 HA PHE 14 HA PHE 14 -21.163 5.499 12.635 96 1HB PHE 14 2HB PHE 14 -18.140 5.230 12.676 97 2HB PHE 14 1HB PHE 14 -19.018 6.607 12.011 98 HD1 PHE 14 HD1 PHE 14 -20.426 8.034 13.509 99 HD2 PHE 14 HD2 PHE 14 -17.857 4.950 15.039 100 HE1 PHE 14 HE1 PHE 14 -20.572 9.036 15.773 101 HE2 PHE 14 HE2 PHE 14 -18.003 5.951 17.303 102 HZ PHE 14 HZ PHE 14 -19.360 7.994 17.670 103 H MET 15 H MET 15 -20.008 2.509 11.712 104 HA MET 15 HA MET 15 -19.411 3.133 8.920 105 1HB MET 15 2HB MET 15 -18.450 1.166 10.204 106 2HB MET 15 1HB MET 15 -20.050 0.428 10.124 107 1HG MET 15 2HG MET 15 -19.973 0.625 7.640 108 2HG MET 15 1HG MET 15 -18.331 1.253 7.765 109 1HE MET 15 3HE MET 15 -20.763 -1.534 8.006 110 2HE MET 15 2HE MET 15 -19.891 -2.963 8.555 111 3HE MET 15 1HE MET 15 -20.281 -1.683 9.701 112 H LYS 16 H LYS 16 -20.927 3.354 7.335 113 HA LYS 16 HA LYS 16 -23.611 2.122 7.795 114 1HB LYS 16 2HB LYS 16 -23.462 4.670 8.227 115 2HB LYS 16 1HB LYS 16 -23.284 4.816 6.478 116 1HG LYS 16 2HG LYS 16 -25.400 3.558 6.174 117 2HG LYS 16 1HG LYS 16 -25.581 3.459 7.925 118 1HD LYS 16 2HD LYS 16 -25.712 5.886 8.093 119 2HD LYS 16 1HD LYS 16 -25.383 6.055 6.369 120 1HE LYS 16 2HE LYS 16 -27.509 4.370 6.284 121 2HE LYS 16 1HE LYS 16 -27.890 5.273 7.750 122 1HZ LYS 16 2HZ LYS 16 -27.016 7.132 5.907 123 2HZ LYS 16 1HZ LYS 16 -28.064 6.105 5.050 124 3HZ LYS 16 3HZ LYS 16 -28.608 6.895 6.449 125 H ASN 17 H ASN 17 -24.602 1.307 5.933 126 HA ASN 17 HA ASN 17 -24.615 0.333 3.795 127 1HB ASN 17 2HB ASN 17 -24.730 2.980 3.467 128 2HB ASN 17 1HB ASN 17 -23.158 2.709 2.713 129 1HD2 ASN 17 1HD2 ASN 17 -24.624 3.471 0.754 130 2HD2 ASN 17 2HD2 ASN 17 -25.394 2.231 -0.113 131 H GLY 18 H GLY 18 -22.274 -0.195 5.487 132 1HA GLY 18 1HA GLY 18 -20.553 -1.351 3.459 133 2HA GLY 18 2HA GLY 18 -20.268 -1.397 5.200 134 H LYS 19 H LYS 19 -20.752 1.715 4.893 135 HA LYS 19 HA LYS 19 -17.997 2.355 3.928 136 1HB LYS 19 2HB LYS 19 -19.989 3.444 2.778 137 2HB LYS 19 1HB LYS 19 -20.306 4.278 4.298 138 1HG LYS 19 2HG LYS 19 -17.561 4.643 3.828 139 2HG LYS 19 1HG LYS 19 -18.328 4.877 2.257 140 1HD LYS 19 2HD LYS 19 -20.053 6.290 3.729 141 2HD LYS 19 1HD LYS 19 -18.643 6.451 4.776 142 1HE LYS 19 2HE LYS 19 -17.805 6.848 2.065 143 2HE LYS 19 1HE LYS 19 -19.209 7.871 2.369 144 1HZ LYS 19 1HZ LYS 19 -17.732 8.137 4.626 145 2HZ LYS 19 3HZ LYS 19 -16.545 8.064 3.417 146 3HZ LYS 19 2HZ LYS 19 -17.767 9.242 3.335 147 H LEU 20 H LEU 20 -16.600 3.407 5.350 148 HA LEU 20 HA LEU 20 -17.507 3.540 8.167 149 1HB LEU 20 2HB LEU 20 -15.405 2.408 7.854 150 2HB LEU 20 1HB LEU 20 -14.774 3.730 6.872 151 HG LEU 20 HG LEU 20 -15.060 5.232 8.899 152 1HD1 LEU 20 2HD1 LEU 20 -16.592 3.250 9.895 153 2HD1 LEU 20 1HD1 LEU 20 -15.046 2.806 10.619 154 3HD1 LEU 20 3HD1 LEU 20 -15.739 4.399 10.927 155 1HD2 LEU 20 2HD2 LEU 20 -13.186 2.862 8.925 156 2HD2 LEU 20 1HD2 LEU 20 -12.844 4.515 8.415 157 3HD2 LEU 20 3HD2 LEU 20 -13.078 4.151 10.125 158 H PHE 21 H PHE 21 -18.187 5.452 8.978 159 HA PHE 21 HA PHE 21 -17.552 7.948 7.520 160 1HB PHE 21 2HB PHE 21 -19.423 7.304 9.813 161 2HB PHE 21 1HB PHE 21 -19.147 8.947 9.235 162 HD1 PHE 21 HD1 PHE 21 -19.858 5.544 7.801 163 HD2 PHE 21 HD2 PHE 21 -20.636 9.766 7.652 164 HE1 PHE 21 HE1 PHE 21 -21.491 5.178 5.971 165 HE2 PHE 21 HE2 PHE 21 -22.270 9.400 5.822 166 HZ PHE 21 HZ PHE 21 -22.697 7.106 4.981 167 H CYS 22 H CYS 22 -15.835 9.157 8.152 168 HA CYS 22 HA CYS 22 -14.757 8.724 10.899 169 1HB CYS 22 2HB CYS 22 -13.489 8.746 8.419 170 2HB CYS 22 1HB CYS 22 -13.106 10.326 9.102 171 HA PRO 23 HA PRO 23 -16.767 12.969 10.920 172 1HB PRO 23 2HB PRO 23 -18.006 12.645 13.299 173 2HB PRO 23 1HB PRO 23 -18.731 12.153 11.766 174 1HG PRO 23 2HG PRO 23 -17.304 10.491 13.811 175 2HG PRO 23 1HG PRO 23 -18.793 10.131 12.929 176 1HD PRO 23 2HD PRO 23 -16.410 9.080 12.209 177 2HD PRO 23 1HD PRO 23 -17.658 9.474 11.026 178 H GLN 24 H GLN 24 -16.413 14.682 12.575 179 HA GLN 24 HA GLN 24 -13.748 14.484 13.724 180 1HB GLN 24 2HB GLN 24 -14.734 16.598 12.777 181 2HB GLN 24 1HB GLN 24 -15.827 16.647 14.159 182 1HG GLN 24 2HG GLN 24 -13.915 16.736 15.695 183 2HG GLN 24 1HG GLN 24 -12.798 16.620 14.335 184 1HE2 GLN 24 1HE2 GLN 24 -12.497 18.867 15.898 185 2HE2 GLN 24 2HE2 GLN 24 -13.122 20.238 15.117 186 H ASP 25 H ASP 25 -13.319 13.600 15.683 187 HA ASP 25 HA ASP 25 -15.546 13.137 17.572 188 1HB ASP 25 2HB ASP 25 -13.954 11.302 17.095 189 2HB ASP 25 1HB ASP 25 -12.635 12.296 17.712 190 H LYS 26 H LYS 26 -15.971 14.687 19.064 191 HA LYS 26 HA LYS 26 -14.464 16.981 19.589 192 1HB LYS 26 2HB LYS 26 -16.201 15.454 21.555 193 2HB LYS 26 1HB LYS 26 -15.703 17.138 21.722 194 1HG LYS 26 2HG LYS 26 -16.842 17.665 19.577 195 2HG LYS 26 1HG LYS 26 -17.381 15.989 19.470 196 1HD LYS 26 2HD LYS 26 -18.599 16.241 21.601 197 2HD LYS 26 1HD LYS 26 -18.056 17.916 21.715 198 1HE LYS 26 2HE LYS 26 -19.280 18.525 19.730 199 2HE LYS 26 1HE LYS 26 -19.649 16.837 19.374 200 1HZ LYS 26 2HZ LYS 26 -20.641 17.013 21.814 201 2HZ LYS 26 1HZ LYS 26 -20.846 18.629 21.332 202 3HZ LYS 26 3HZ LYS 26 -21.553 17.381 20.428 203 H LYS 27 H LYS 27 -14.117 13.755 20.963 204 HA LYS 27 HA LYS 27 -11.786 14.740 22.553 205 1HB LYS 27 2HB LYS 27 -13.790 12.571 22.951 206 2HB LYS 27 1HB LYS 27 -12.142 12.237 23.484 207 1HG LYS 27 2HG LYS 27 -12.979 14.916 24.252 208 2HG LYS 27 1HG LYS 27 -14.081 13.695 24.887 209 1HD LYS 27 2HD LYS 27 -11.205 13.030 25.111 210 2HD LYS 27 1HD LYS 27 -11.737 14.394 26.094 211 1HE LYS 27 2HE LYS 27 -13.312 13.084 27.270 212 2HE LYS 27 1HE LYS 27 -13.293 11.810 26.050 213 1HZ LYS 27 1HZ LYS 27 -10.960 11.377 26.664 214 2HZ LYS 27 3HZ LYS 27 -11.095 12.510 27.918 215 3HZ LYS 27 2HZ LYS 27 -12.042 11.100 27.944 216 HA PRO 28 HA PRO 28 -9.795 12.594 18.999 217 1HB PRO 28 2HB PRO 28 -7.473 13.961 19.213 218 2HB PRO 28 1HB PRO 28 -8.883 14.588 18.356 219 1HG PRO 28 2HG PRO 28 -7.934 15.184 21.136 220 2HG PRO 28 1HG PRO 28 -8.523 16.302 19.901 221 1HD PRO 28 1HD PRO 28 -10.097 15.467 21.925 222 2HD PRO 28 2HD PRO 28 -10.745 15.791 20.316 223 H ILE 29 H ILE 29 -8.701 10.709 19.236 224 HA ILE 29 HA ILE 29 -7.287 10.216 21.809 225 HB ILE 29 HB ILE 29 -9.115 8.640 20.990 226 1HG1 ILE 29 2HG1 ILE 29 -6.298 7.788 21.627 227 2HG1 ILE 29 1HG1 ILE 29 -7.724 7.744 22.658 228 1HG2 ILE 29 1HG2 ILE 29 -6.960 8.000 18.946 229 2HG2 ILE 29 3HG2 ILE 29 -8.412 7.034 19.210 230 3HG2 ILE 29 2HG2 ILE 29 -8.548 8.684 18.602 231 1HD1 ILE 29 1HD1 ILE 29 -8.444 6.107 20.549 232 2HD1 ILE 29 3HD1 ILE 29 -6.729 5.753 20.751 233 3HD1 ILE 29 2HD1 ILE 29 -7.836 5.550 22.109 234 H GLN 30 H GLN 30 -5.163 9.217 21.742 235 HA GLN 30 HA GLN 30 -3.591 10.102 19.399 236 1HB GLN 30 2HB GLN 30 -2.718 8.882 22.039 237 2HB GLN 30 1HB GLN 30 -1.634 9.520 20.802 238 1HG GLN 30 2HG GLN 30 -2.735 11.742 21.024 239 2HG GLN 30 1HG GLN 30 -3.744 11.091 22.315 240 1HE2 GLN 30 1HE2 GLN 30 -1.812 13.271 22.653 241 2HE2 GLN 30 2HE2 GLN 30 -0.634 12.724 23.746 242 H SER 31 H SER 31 -3.386 8.678 17.743 243 HA SER 31 HA SER 31 -3.919 5.835 18.138 244 1HB SER 31 2HB SER 31 -3.686 5.640 15.765 245 2HB SER 31 1HB SER 31 -4.531 7.159 16.064 246 HG SER 31 HG SER 31 -2.976 7.845 14.792 247 H LEU 32 H LEU 32 -2.170 4.532 16.531 248 HA LEU 32 HA LEU 32 0.473 4.957 17.869 249 1HB LEU 32 2HB LEU 32 -0.649 2.312 16.902 250 2HB LEU 32 1HB LEU 32 0.788 2.565 17.889 251 HG LEU 32 HG LEU 32 -0.754 3.608 19.637 252 1HD1 LEU 32 3HD1 LEU 32 -2.700 2.750 17.556 253 2HD1 LEU 32 2HD1 LEU 32 -3.148 2.420 19.230 254 3HD1 LEU 32 1HD1 LEU 32 -2.807 4.073 18.717 255 1HD2 LEU 32 3HD2 LEU 32 0.162 1.184 19.539 256 2HD2 LEU 32 2HD2 LEU 32 -1.206 1.500 20.608 257 3HD2 LEU 32 1HD2 LEU 32 -1.470 0.740 19.039 258 H ASP 33 H ASP 33 -1.234 4.751 14.918 259 HA ASP 33 HA ASP 33 1.026 3.868 13.288 260 1HB ASP 33 2HB ASP 33 -1.688 5.029 12.638 261 2HB ASP 33 1HB ASP 33 -0.496 4.653 11.393 262 H GLY 34 H GLY 34 0.709 6.578 15.013 263 1HA GLY 34 1HA GLY 34 2.382 8.121 13.131 264 2HA GLY 34 2HA GLY 34 2.121 8.503 14.833 265 H ILE 35 H ILE 35 -0.883 7.912 14.058 266 HA ILE 35 HA ILE 35 -1.408 10.594 12.838 267 HB ILE 35 HB ILE 35 -3.300 8.227 12.944 268 1HG1 ILE 35 2HG1 ILE 35 -1.597 9.117 10.602 269 2HG1 ILE 35 1HG1 ILE 35 -1.181 7.760 11.648 270 1HG2 ILE 35 1HG2 ILE 35 -3.271 10.900 11.543 271 2HG2 ILE 35 3HG2 ILE 35 -4.251 9.562 10.944 272 3HG2 ILE 35 2HG2 ILE 35 -4.534 10.208 12.560 273 1HD1 ILE 35 1HD1 ILE 35 -3.508 6.829 11.121 274 2HD1 ILE 35 3HD1 ILE 35 -3.598 8.048 9.850 275 3HD1 ILE 35 2HD1 ILE 35 -2.348 6.806 9.793 276 H MET 36 H MET 36 -3.649 11.460 13.616 277 HA MET 36 HA MET 36 -3.794 11.061 16.575 278 1HB MET 36 2HB MET 36 -4.463 13.467 14.856 279 2HB MET 36 1HB MET 36 -4.825 13.362 16.579 280 1HG MET 36 2HG MET 36 -2.369 12.891 16.969 281 2HG MET 36 1HG MET 36 -2.095 13.271 15.269 282 1HE MET 36 1HE MET 36 -2.805 15.437 14.136 283 2HE MET 36 3HE MET 36 -4.417 15.471 14.863 284 3HE MET 36 2HE MET 36 -3.381 16.894 14.942 285 H PHE 37 H PHE 37 -5.419 9.525 16.781 286 HA PHE 37 HA PHE 37 -7.617 8.717 16.834 287 1HB PHE 37 2HB PHE 37 -8.259 10.997 17.470 288 2HB PHE 37 1HB PHE 37 -8.285 11.476 15.776 289 HD1 PHE 37 HD1 PHE 37 -9.952 10.471 14.210 290 HD2 PHE 37 HD2 PHE 37 -10.073 9.748 18.443 291 HE1 PHE 37 HE1 PHE 37 -12.286 9.656 14.006 292 HE2 PHE 37 HE2 PHE 37 -12.405 8.935 18.238 293 HZ PHE 37 HZ PHE 37 -13.512 8.888 16.020 294 H ILE 38 H ILE 38 -7.288 10.739 13.903 295 HA ILE 38 HA ILE 38 -8.932 9.437 12.139 296 HB ILE 38 HB ILE 38 -6.081 10.265 11.517 297 1HG1 ILE 38 2HG1 ILE 38 -7.227 12.125 12.520 298 2HG1 ILE 38 1HG1 ILE 38 -7.257 12.392 10.777 299 1HG2 ILE 38 1HG2 ILE 38 -8.527 9.751 9.812 300 2HG2 ILE 38 3HG2 ILE 38 -7.149 10.688 9.235 301 3HG2 ILE 38 2HG2 ILE 38 -6.940 8.994 9.681 302 1HD1 ILE 38 1HD1 ILE 38 -9.537 10.947 11.078 303 2HD1 ILE 38 3HD1 ILE 38 -9.484 11.771 12.637 304 3HD1 ILE 38 2HD1 ILE 38 -9.494 12.709 11.143 305 H ASN 39 H ASN 39 -5.961 8.157 13.503 306 HA ASN 39 HA ASN 39 -5.468 6.035 11.697 307 1HB ASN 39 2HB ASN 39 -4.104 6.749 13.776 308 2HB ASN 39 1HB ASN 39 -5.204 5.714 14.687 309 1HD2 ASN 39 1HD2 ASN 39 -3.826 3.910 15.128 310 2HD2 ASN 39 2HD2 ASN 39 -3.077 2.992 13.913 311 H LYS 40 H LYS 40 -7.860 6.350 14.280 312 HA LYS 40 HA LYS 40 -8.708 3.715 14.575 313 1HB LYS 40 2HB LYS 40 -10.279 6.294 14.488 314 2HB LYS 40 1HB LYS 40 -11.057 4.746 14.816 315 1HG LYS 40 2HG LYS 40 -9.246 4.429 16.627 316 2HG LYS 40 1HG LYS 40 -8.932 6.154 16.435 317 1HD LYS 40 2HD LYS 40 -11.370 6.582 16.857 318 2HD LYS 40 1HD LYS 40 -11.567 4.864 17.202 319 1HE LYS 40 2HE LYS 40 -9.424 5.492 18.790 320 2HE LYS 40 1HE LYS 40 -10.354 6.989 18.852 321 1HZ LYS 40 1HZ LYS 40 -11.738 4.420 19.184 322 2HZ LYS 40 3HZ LYS 40 -10.872 5.063 20.493 323 3HZ LYS 40 2HZ LYS 40 -12.144 5.951 19.799 324 H CYS 41 H CYS 41 -9.595 6.013 12.017 325 HA CYS 41 HA CYS 41 -11.275 4.135 10.588 326 1HB CYS 41 2HB CYS 41 -10.020 6.792 9.971 327 2HB CYS 41 1HB CYS 41 -10.652 5.820 8.649 328 H ALA 42 H ALA 42 -7.926 5.272 10.188 329 HA ALA 42 HA ALA 42 -7.304 3.656 7.916 330 1HB ALA 42 3HB ALA 42 -5.578 4.875 10.080 331 2HB ALA 42 2HB ALA 42 -4.909 4.016 8.693 332 3HB ALA 42 1HB ALA 42 -5.853 5.486 8.449 333 H THR 43 H THR 43 -7.419 2.943 11.349 334 HA THR 43 HA THR 43 -6.104 0.319 10.862 335 HB THR 43 HB THR 43 -6.408 0.175 13.435 336 HG1 THR 43 HG1 THR 43 -7.847 1.831 13.721 337 1HG2 THR 43 1HG2 THR 43 -4.289 0.736 12.112 338 2HG2 THR 43 3HG2 THR 43 -4.656 2.429 12.441 339 3HG2 THR 43 2HG2 THR 43 -4.342 1.320 13.775 340 H CYS 44 H CYS 44 -9.169 1.749 11.889 341 HA CYS 44 HA CYS 44 -10.464 -0.751 12.512 342 1HB CYS 44 2HB CYS 44 -11.326 1.405 13.336 343 2HB CYS 44 1HB CYS 44 -11.668 1.905 11.681 344 H LYS 45 H LYS 45 -10.099 1.137 9.547 345 HA LYS 45 HA LYS 45 -12.073 -0.117 7.965 346 1HB LYS 45 2HB LYS 45 -10.463 1.845 7.396 347 2HB LYS 45 1HB LYS 45 -9.357 0.580 6.860 348 1HG LYS 45 2HG LYS 45 -11.247 -0.316 5.424 349 2HG LYS 45 1HG LYS 45 -12.147 1.148 5.825 350 1HD LYS 45 2HD LYS 45 -10.408 2.541 4.847 351 2HD LYS 45 1HD LYS 45 -9.384 1.132 4.571 352 1HE LYS 45 2HE LYS 45 -10.687 0.361 2.809 353 2HE LYS 45 1HE LYS 45 -12.147 1.149 3.408 354 1HZ LYS 45 2HZ LYS 45 -10.082 3.025 2.802 355 2HZ LYS 45 1HZ LYS 45 -10.493 2.086 1.446 356 3HZ LYS 45 3HZ LYS 45 -11.690 2.975 2.255 357 H MET 46 H MET 46 -8.799 -1.202 8.779 358 HA MET 46 HA MET 46 -9.056 -3.586 7.082 359 1HB MET 46 2HB MET 46 -6.957 -2.663 9.064 360 2HB MET 46 1HB MET 46 -6.862 -4.205 8.214 361 1HG MET 46 2HG MET 46 -7.086 -2.913 6.047 362 2HG MET 46 1HG MET 46 -6.904 -1.434 6.990 363 1HE MET 46 1HE MET 46 -5.330 -4.419 5.327 364 2HE MET 46 3HE MET 46 -3.817 -4.721 6.194 365 3HE MET 46 2HE MET 46 -5.364 -5.035 6.977 366 H ILE 47 H ILE 47 -9.436 -2.686 10.455 367 HA ILE 47 HA ILE 47 -9.716 -5.462 11.351 368 HB ILE 47 HB ILE 47 -10.423 -2.889 12.797 369 1HG1 ILE 47 2HG1 ILE 47 -7.883 -4.525 13.017 370 2HG1 ILE 47 1HG1 ILE 47 -8.018 -3.092 11.999 371 1HG2 ILE 47 1HG2 ILE 47 -10.384 -5.774 13.502 372 2HG2 ILE 47 3HG2 ILE 47 -9.699 -4.675 14.699 373 3HG2 ILE 47 2HG2 ILE 47 -11.366 -4.467 14.164 374 1HD1 ILE 47 1HD1 ILE 47 -9.084 -2.352 14.503 375 2HD1 ILE 47 3HD1 ILE 47 -7.613 -3.257 14.859 376 3HD1 ILE 47 2HD1 ILE 47 -7.544 -1.840 13.812 377 H LEU 48 H LEU 48 -11.735 -3.013 9.995 378 HA LEU 48 HA LEU 48 -14.256 -3.901 11.093 379 1HB LEU 48 2HB LEU 48 -13.592 -1.707 9.741 380 2HB LEU 48 1HB LEU 48 -14.073 -2.685 8.358 381 HG LEU 48 HG LEU 48 -16.071 -1.608 8.973 382 1HD1 LEU 48 2HD1 LEU 48 -16.384 -4.053 8.788 383 2HD1 LEU 48 1HD1 LEU 48 -16.072 -4.220 10.516 384 3HD1 LEU 48 3HD1 LEU 48 -17.504 -3.355 9.958 385 1HD2 LEU 48 3HD2 LEU 48 -14.811 -1.547 11.568 386 2HD2 LEU 48 2HD2 LEU 48 -16.145 -0.565 10.965 387 3HD2 LEU 48 1HD2 LEU 48 -16.469 -2.126 11.722 388 H GLU 49 H GLU 49 -12.356 -4.744 8.223 389 HA GLU 49 HA GLU 49 -14.345 -6.444 7.022 390 1HB GLU 49 2HB GLU 49 -11.319 -6.564 6.803 391 2HB GLU 49 1HB GLU 49 -12.459 -7.364 5.721 392 1HG GLU 49 2HG GLU 49 -13.391 -5.178 5.072 393 2HG GLU 49 1HG GLU 49 -12.275 -4.369 6.172 394 H LYS 50 H LYS 50 -11.933 -6.925 9.530 395 HA LYS 50 HA LYS 50 -11.824 -9.746 9.603 396 1HB LYS 50 2HB LYS 50 -10.435 -8.205 11.007 397 2HB LYS 50 1HB LYS 50 -11.858 -7.883 11.997 398 1HG LYS 50 2HG LYS 50 -12.026 -10.307 12.510 399 2HG LYS 50 1HG LYS 50 -10.567 -10.594 11.562 400 1HD LYS 50 2HD LYS 50 -9.341 -9.012 13.069 401 2HD LYS 50 1HD LYS 50 -10.794 -8.889 14.061 402 1HE LYS 50 2HE LYS 50 -8.945 -10.632 14.712 403 2HE LYS 50 1HE LYS 50 -10.641 -11.110 14.787 404 1HZ LYS 50 3HZ LYS 50 -9.013 -11.512 12.352 405 2HZ LYS 50 2HZ LYS 50 -9.054 -12.665 13.600 406 3HZ LYS 50 1HZ LYS 50 -10.480 -12.252 12.773 407 H GLU 51 H GLU 51 -14.224 -7.520 10.986 408 HA GLU 51 HA GLU 51 -15.735 -9.408 12.462 409 1HB GLU 51 2HB GLU 51 -16.672 -6.950 10.950 410 2HB GLU 51 1HB GLU 51 -17.643 -7.831 12.130 411 1HG GLU 51 2HG GLU 51 -15.891 -7.410 13.846 412 2HG GLU 51 1HG GLU 51 -14.983 -6.470 12.662 413 H ALA 52 H ALA 52 -15.660 -8.708 9.010 414 HA ALA 52 HA ALA 52 -18.041 -10.134 8.293 415 1HB ALA 52 3HB ALA 52 -15.530 -9.370 6.810 416 2HB ALA 52 1HB ALA 52 -17.169 -8.754 6.594 417 3HB ALA 52 2HB ALA 52 -16.757 -10.378 6.042 418 H LYS 53 H LYS 53 -14.786 -11.164 9.066 419 HA LYS 53 HA LYS 53 -14.825 -13.760 7.906 420 1HB LYS 53 2HB LYS 53 -13.503 -12.789 10.458 421 2HB LYS 53 1HB LYS 53 -13.162 -14.336 9.683 422 1HG LYS 53 2HG LYS 53 -12.518 -13.103 7.606 423 2HG LYS 53 1HG LYS 53 -12.751 -11.585 8.473 424 1HD LYS 53 2HD LYS 53 -11.060 -12.341 10.155 425 2HD LYS 53 1HD LYS 53 -10.773 -13.776 9.171 426 1HE LYS 53 2HE LYS 53 -9.557 -12.623 7.635 427 2HE LYS 53 1HE LYS 53 -10.653 -11.242 7.670 428 1HZ LYS 53 1HZ LYS 53 -9.407 -11.331 10.141 429 2HZ LYS 53 3HZ LYS 53 -8.181 -11.576 8.995 430 3HZ LYS 53 2HZ LYS 53 -9.165 -10.193 8.902 431 H SER 54 H SER 54 -16.219 -12.515 10.900 432 HA SER 54 HA SER 54 -16.855 -15.014 12.118 433 1HB SER 54 2HB SER 54 -18.444 -12.433 12.262 434 2HB SER 54 1HB SER 54 -18.491 -13.759 13.424 435 HG SER 54 HG SER 54 -16.922 -12.749 14.358 436 H GLN 55 H GLN 55 -18.343 -13.247 9.489 437 HA GLN 55 HA GLN 55 -19.933 -15.562 8.753 438 1HB GLN 55 2HB GLN 55 -21.308 -14.571 10.603 439 2HB GLN 55 1HB GLN 55 -21.432 -13.086 9.659 440 1HG GLN 55 2HG GLN 55 -23.412 -14.351 9.181 441 2HG GLN 55 1HG GLN 55 -22.369 -14.516 7.768 442 1HE2 GLN 55 1HE2 GLN 55 -22.133 -16.641 7.068 443 2HE2 GLN 55 2HE2 GLN 55 -22.287 -18.017 8.050 No H/Q in entry = 443 Start of MODEL 26 1 H1 LYS 1 2H LYS 1 0.895 16.988 17.656 2 H2 LYS 1 1H LYS 1 -0.728 16.858 18.143 3 H3 LYS 1 3H LYS 1 0.516 16.610 19.269 4 HA LYS 1 HA LYS 1 1.135 14.574 18.353 5 1HB LYS 1 2HB LYS 1 -1.880 14.844 18.157 6 2HB LYS 1 1HB LYS 1 -1.008 13.314 18.239 7 1HG LYS 1 2HG LYS 1 -0.028 14.038 20.420 8 2HG LYS 1 1HG LYS 1 -1.016 15.497 20.346 9 1HD LYS 1 2HD LYS 1 -3.055 14.054 20.219 10 2HD LYS 1 1HD LYS 1 -2.025 12.637 20.428 11 1HE LYS 1 2HE LYS 1 -1.166 13.771 22.563 12 2HE LYS 1 1HE LYS 1 -2.522 14.885 22.389 13 1HZ LYS 1 3HZ LYS 1 -4.002 12.929 22.326 14 2HZ LYS 1 2HZ LYS 1 -2.667 11.932 22.658 15 3HZ LYS 1 1HZ LYS 1 -3.173 13.086 23.798 16 H ASN 2 H ASN 2 0.996 13.024 16.549 17 HA ASN 2 HA ASN 2 1.111 12.520 14.260 18 1HB ASN 2 2HB ASN 2 -1.094 14.596 14.077 19 2HB ASN 2 1HB ASN 2 -0.699 13.390 12.852 20 1HD2 ASN 2 1HD2 ASN 2 -3.146 13.832 14.772 21 2HD2 ASN 2 2HD2 ASN 2 -3.402 12.286 15.423 22 H GLU 3 H GLU 3 3.054 14.275 15.116 23 HA GLU 3 HA GLU 3 3.136 16.735 13.613 24 1HB GLU 3 2HB GLU 3 5.368 15.071 14.820 25 2HB GLU 3 1HB GLU 3 5.569 16.700 14.174 26 1HG GLU 3 2HG GLU 3 3.894 17.536 15.797 27 2HG GLU 3 1HG GLU 3 3.734 15.909 16.457 28 H ASP 4 H ASP 4 3.956 13.412 12.881 29 HA ASP 4 HA ASP 4 5.682 13.834 10.663 30 1HB ASP 4 2HB ASP 4 5.064 11.617 11.812 31 2HB ASP 4 1HB ASP 4 3.622 11.627 10.794 32 H GLN 5 H GLN 5 2.186 14.060 10.961 33 HA GLN 5 HA GLN 5 1.521 14.026 8.189 34 1HB GLN 5 2HB GLN 5 0.206 15.508 10.487 35 2HB GLN 5 1HB GLN 5 -0.510 15.297 8.890 36 1HG GLN 5 2HG GLN 5 -0.451 12.860 9.160 37 2HG GLN 5 1HG GLN 5 0.332 13.037 10.731 38 1HE2 GLN 5 1HE2 GLN 5 -2.221 11.731 10.442 39 2HE2 GLN 5 2HE2 GLN 5 -3.391 12.684 11.219 40 H GLU 6 H GLU 6 2.791 16.567 10.274 41 HA GLU 6 HA GLU 6 2.302 18.799 8.576 42 1HB GLU 6 2HB GLU 6 4.567 18.255 10.517 43 2HB GLU 6 1HB GLU 6 4.281 19.817 9.750 44 1HG GLU 6 2HG GLU 6 1.957 19.787 10.711 45 2HG GLU 6 1HG GLU 6 2.392 18.323 11.592 46 H MET 7 H MET 7 5.076 16.558 8.724 47 HA MET 7 HA MET 7 6.592 17.813 6.652 48 1HB MET 7 2HB MET 7 6.497 14.934 7.598 49 2HB MET 7 1HB MET 7 7.676 15.539 6.435 50 1HG MET 7 2HG MET 7 8.616 17.048 8.036 51 2HG MET 7 1HG MET 7 7.279 16.795 9.159 52 1HE MET 7 2HE MET 7 9.349 16.918 10.419 53 2HE MET 7 1HE MET 7 8.953 15.569 11.481 54 3HE MET 7 3HE MET 7 10.530 15.637 10.683 55 H CYS 8 H CYS 8 3.721 15.909 6.574 56 HA CYS 8 HA CYS 8 4.052 15.039 3.799 57 1HB CYS 8 2HB CYS 8 1.629 15.029 5.620 58 2HB CYS 8 1HB CYS 8 1.709 14.259 4.034 59 H HIS 9 H HIS 9 2.902 17.855 5.434 60 HA HIS 9 HA HIS 9 1.005 18.861 3.598 61 1HB HIS 9 2HB HIS 9 1.350 20.114 5.598 62 2HB HIS 9 1HB HIS 9 3.085 20.241 5.312 63 HD1 HIS 9 HD1 HIS 9 3.710 21.632 3.013 64 HD2 HIS 9 HD2 HIS 9 -0.062 22.302 4.658 65 HE1 HIS 9 HE1 HIS 9 2.872 23.804 2.020 66 H GLU 10 H GLU 10 4.553 19.360 3.604 67 HA GLU 10 HA GLU 10 4.550 20.606 0.990 68 1HB GLU 10 2HB GLU 10 6.812 19.290 2.527 69 2HB GLU 10 1HB GLU 10 7.004 20.316 1.105 70 1HG GLU 10 2HG GLU 10 5.923 22.184 2.324 71 2HG GLU 10 1HG GLU 10 5.780 21.157 3.751 72 H PHE 11 H PHE 11 4.972 17.305 2.188 73 HA PHE 11 HA PHE 11 5.704 16.267 -0.440 74 1HB PHE 11 2HB PHE 11 5.363 15.195 2.290 75 2HB PHE 11 1HB PHE 11 4.901 14.077 1.006 76 HD1 PHE 11 HD1 PHE 11 7.374 16.707 0.369 77 HD2 PHE 11 HD2 PHE 11 6.840 12.590 1.490 78 HE1 PHE 11 HE1 PHE 11 9.761 16.261 -0.119 79 HE2 PHE 11 HE2 PHE 11 9.218 12.154 0.992 80 HZ PHE 11 HZ PHE 11 10.685 13.982 0.196 81 H GLN 12 H GLN 12 2.909 17.524 0.684 82 HA GLN 12 HA GLN 12 1.103 15.523 -0.543 83 1HB GLN 12 2HB GLN 12 0.782 17.898 1.235 84 2HB GLN 12 1HB GLN 12 -0.549 17.539 0.135 85 1HG GLN 12 2HG GLN 12 -0.670 15.245 1.000 86 2HG GLN 12 1HG GLN 12 0.702 15.560 2.063 87 1HE2 GLN 12 1HE2 GLN 12 -1.450 14.801 3.473 88 2HE2 GLN 12 2HE2 GLN 12 -2.259 16.112 4.185 89 H ALA 13 H ALA 13 2.337 18.801 -1.020 90 HA ALA 13 HA ALA 13 0.699 19.330 -3.364 91 1HB ALA 13 1HB ALA 13 1.399 21.385 -2.708 92 2HB ALA 13 2HB ALA 13 2.902 21.002 -3.549 93 3HB ALA 13 3HB ALA 13 2.765 20.720 -1.814 94 H PHE 14 H PHE 14 3.649 17.641 -2.742 95 HA PHE 14 HA PHE 14 4.525 17.760 -5.561 96 1HB PHE 14 2HB PHE 14 5.636 16.165 -3.226 97 2HB PHE 14 1HB PHE 14 6.400 16.360 -4.803 98 HD1 PHE 14 HD1 PHE 14 5.646 19.284 -5.242 99 HD2 PHE 14 HD2 PHE 14 7.295 17.219 -1.855 100 HE1 PHE 14 HE1 PHE 14 6.703 21.392 -4.470 101 HE2 PHE 14 HE2 PHE 14 8.351 19.326 -1.084 102 HZ PHE 14 HZ PHE 14 8.055 21.413 -2.391 103 H MET 15 H MET 15 1.979 16.402 -4.402 104 HA MET 15 HA MET 15 2.383 13.575 -5.007 105 1HB MET 15 2HB MET 15 0.232 15.289 -3.975 106 2HB MET 15 1HB MET 15 -0.343 14.007 -5.039 107 1HG MET 15 2HG MET 15 1.182 12.444 -3.637 108 2HG MET 15 1HG MET 15 1.202 13.760 -2.462 109 1HE MET 15 2HE MET 15 -0.611 15.047 -1.933 110 2HE MET 15 1HE MET 15 -2.236 14.839 -2.583 111 3HE MET 15 3HE MET 15 -1.843 14.243 -0.964 112 H LYS 16 H LYS 16 1.534 12.475 -6.851 113 HA LYS 16 HA LYS 16 0.387 14.144 -9.019 114 1HB LYS 16 2HB LYS 16 2.935 14.068 -9.248 115 2HB LYS 16 1HB LYS 16 2.752 12.346 -9.581 116 1HG LYS 16 2HG LYS 16 1.221 12.880 -11.454 117 2HG LYS 16 1HG LYS 16 1.437 14.600 -11.130 118 1HD LYS 16 2HD LYS 16 3.824 14.429 -11.614 119 2HD LYS 16 1HD LYS 16 3.684 12.684 -11.824 120 1HE LYS 16 2HE LYS 16 2.073 13.093 -13.698 121 2HE LYS 16 1HE LYS 16 2.379 14.822 -13.533 122 1HZ LYS 16 3HZ LYS 16 4.747 13.175 -13.724 123 2HZ LYS 16 2HZ LYS 16 3.781 13.187 -15.121 124 3HZ LYS 16 1HZ LYS 16 4.382 14.645 -14.487 125 H ASN 17 H ASN 17 -1.106 13.017 -10.202 126 HA ASN 17 HA ASN 17 -2.575 11.257 -10.716 127 1HB ASN 17 2HB ASN 17 0.073 9.780 -10.694 128 2HB ASN 17 1HB ASN 17 -1.429 9.131 -11.352 129 1HD2 ASN 17 1HD2 ASN 17 0.925 9.610 -12.977 130 2HD2 ASN 17 2HD2 ASN 17 0.544 10.834 -14.090 131 H GLY 18 H GLY 18 -2.198 11.816 -7.876 132 1HA GLY 18 1HA GLY 18 -3.368 9.376 -6.814 133 2HA GLY 18 2HA GLY 18 -3.004 10.833 -5.887 134 H LYS 19 H LYS 19 -0.188 10.789 -6.918 135 HA LYS 19 HA LYS 19 0.824 8.628 -5.118 136 1HB LYS 19 2HB LYS 19 1.127 8.239 -7.652 137 2HB LYS 19 1HB LYS 19 2.288 9.565 -7.586 138 1HG LYS 19 2HG LYS 19 3.068 8.031 -5.442 139 2HG LYS 19 1HG LYS 19 2.531 6.801 -6.587 140 1HD LYS 19 2HD LYS 19 3.933 8.145 -8.327 141 2HD LYS 19 1HD LYS 19 4.707 8.858 -6.912 142 1HE LYS 19 2HE LYS 19 5.720 6.882 -6.300 143 2HE LYS 19 1HE LYS 19 4.417 5.890 -6.954 144 1HZ LYS 19 2HZ LYS 19 5.889 7.437 -8.909 145 2HZ LYS 19 1HZ LYS 19 6.788 6.217 -8.141 146 3HZ LYS 19 3HZ LYS 19 5.362 5.823 -8.970 147 H LEU 20 H LEU 20 2.783 9.188 -3.984 148 HA LEU 20 HA LEU 20 3.088 12.115 -3.640 149 1HB LEU 20 2HB LEU 20 2.857 10.363 -1.720 150 2HB LEU 20 1HB LEU 20 4.549 10.001 -2.053 151 HG LEU 20 HG LEU 20 3.413 12.717 -1.310 152 1HD1 LEU 20 2HD1 LEU 20 4.192 10.522 0.279 153 2HD1 LEU 20 1HD1 LEU 20 5.537 11.665 0.360 154 3HD1 LEU 20 3HD1 LEU 20 3.911 12.177 0.822 155 1HD2 LEU 20 1HD2 LEU 20 6.078 11.803 -2.322 156 2HD2 LEU 20 3HD2 LEU 20 5.214 13.308 -2.646 157 3HD2 LEU 20 2HD2 LEU 20 6.036 13.077 -1.102 158 H PHE 21 H PHE 21 4.396 12.819 -5.343 159 HA PHE 21 HA PHE 21 6.830 11.315 -6.034 160 1HB PHE 21 2HB PHE 21 5.426 13.735 -7.121 161 2HB PHE 21 1HB PHE 21 7.129 13.487 -7.512 162 HD1 PHE 21 HD1 PHE 21 3.784 11.826 -7.579 163 HD2 PHE 21 HD2 PHE 21 7.785 11.898 -9.140 164 HE1 PHE 21 HE1 PHE 21 3.153 10.130 -9.276 165 HE2 PHE 21 HE2 PHE 21 7.153 10.204 -10.837 166 HZ PHE 21 HZ PHE 21 4.837 9.319 -10.904 167 H CYS 22 H CYS 22 7.513 11.646 -3.679 168 HA CYS 22 HA CYS 22 8.235 14.092 -2.533 169 1HB CYS 22 2HB CYS 22 10.110 12.717 -1.435 170 2HB CYS 22 1HB CYS 22 8.457 12.144 -1.202 171 HA PRO 23 HA PRO 23 11.353 15.312 -5.585 172 1HB PRO 23 2HB PRO 23 11.460 17.892 -4.818 173 2HB PRO 23 1HB PRO 23 10.177 17.257 -5.849 174 1HG PRO 23 2HG PRO 23 10.129 17.914 -2.947 175 2HG PRO 23 1HG PRO 23 8.854 18.084 -4.153 176 1HD PRO 23 2HD PRO 23 9.010 16.033 -2.306 177 2HD PRO 23 1HD PRO 23 8.097 15.961 -3.812 178 H GLN 24 H GLN 24 13.510 16.508 -5.294 179 HA GLN 24 HA GLN 24 14.702 15.656 -2.703 180 1HB GLN 24 2HB GLN 24 15.717 14.888 -4.883 181 2HB GLN 24 1HB GLN 24 16.129 16.571 -5.215 182 1HG GLN 24 2HG GLN 24 17.490 16.675 -3.189 183 2HG GLN 24 1HG GLN 24 17.004 15.039 -2.745 184 1HE2 GLN 24 1HE2 GLN 24 19.711 15.380 -2.989 185 2HE2 GLN 24 2HE2 GLN 24 20.288 14.705 -4.436 186 H ASP 25 H ASP 25 14.796 17.246 -1.194 187 HA ASP 25 HA ASP 25 14.935 20.073 -2.075 188 1HB ASP 25 2HB ASP 25 14.541 18.830 0.664 189 2HB ASP 25 1HB ASP 25 14.545 20.564 0.342 190 H LYS 26 H LYS 26 16.662 21.445 -1.484 191 HA LYS 26 HA LYS 26 19.253 20.230 -1.293 192 1HB LYS 26 2HB LYS 26 18.371 23.079 -0.737 193 2HB LYS 26 1HB LYS 26 20.050 22.560 -0.884 194 1HG LYS 26 2HG LYS 26 19.563 21.736 -3.183 195 2HG LYS 26 1HG LYS 26 17.916 22.347 -3.031 196 1HD LYS 26 2HD LYS 26 18.849 24.630 -2.623 197 2HD LYS 26 1HD LYS 26 20.466 23.987 -2.911 198 1HE LYS 26 2HE LYS 26 18.196 23.803 -4.912 199 2HE LYS 26 1HE LYS 26 19.425 25.067 -4.935 200 1HZ LYS 26 2HZ LYS 26 20.739 22.626 -4.700 201 2HZ LYS 26 1HZ LYS 26 19.589 22.447 -5.937 202 3HZ LYS 26 3HZ LYS 26 20.742 23.687 -6.027 203 H LYS 27 H LYS 27 16.974 21.386 1.113 204 HA LYS 27 HA LYS 27 18.966 21.167 3.276 205 1HB LYS 27 2HB LYS 27 16.666 22.674 2.951 206 2HB LYS 27 1HB LYS 27 16.154 21.412 4.071 207 1HG LYS 27 2HG LYS 27 17.975 21.938 5.584 208 2HG LYS 27 1HG LYS 27 18.663 23.076 4.426 209 1HD LYS 27 2HD LYS 27 17.425 24.326 6.108 210 2HD LYS 27 1HD LYS 27 16.553 24.421 4.578 211 1HE LYS 27 2HE LYS 27 15.565 22.103 5.777 212 2HE LYS 27 1HE LYS 27 15.715 23.244 7.113 213 1HZ LYS 27 1HZ LYS 27 14.394 23.872 4.531 214 2HZ LYS 27 3HZ LYS 27 13.564 23.362 5.919 215 3HZ LYS 27 2HZ LYS 27 14.414 24.833 5.932 216 HA PRO 28 HA PRO 28 18.051 16.832 3.883 217 1HB PRO 28 2HB PRO 28 19.390 16.536 6.209 218 2HB PRO 28 1HB PRO 28 20.199 16.642 4.644 219 1HG PRO 28 2HG PRO 28 19.801 18.759 6.722 220 2HG PRO 28 1HG PRO 28 21.239 18.399 5.763 221 1HD PRO 28 1HD PRO 28 19.562 20.439 5.153 222 2HD PRO 28 2HD PRO 28 20.455 19.548 3.920 223 H ILE 29 H ILE 29 16.528 15.672 5.049 224 HA ILE 29 HA ILE 29 15.148 17.154 7.248 225 HB ILE 29 HB ILE 29 14.147 15.482 4.985 226 1HG1 ILE 29 2HG1 ILE 29 13.932 17.995 5.204 227 2HG1 ILE 29 1HG1 ILE 29 12.405 17.145 4.964 228 1HG2 ILE 29 1HG2 ILE 29 13.494 14.179 7.032 229 2HG2 ILE 29 3HG2 ILE 29 12.676 15.619 7.637 230 3HG2 ILE 29 2HG2 ILE 29 12.111 14.837 6.160 231 1HD1 ILE 29 3HD1 ILE 29 12.938 17.192 7.767 232 2HD1 ILE 29 2HD1 ILE 29 13.171 18.830 7.152 233 3HD1 ILE 29 1HD1 ILE 29 11.633 18.002 6.897 234 H GLN 30 H GLN 30 15.457 16.264 9.222 235 HA GLN 30 HA GLN 30 16.509 13.505 9.393 236 1HB GLN 30 2HB GLN 30 17.620 15.178 10.764 237 2HB GLN 30 1HB GLN 30 16.086 15.648 11.498 238 1HG GLN 30 2HG GLN 30 15.851 13.442 12.512 239 2HG GLN 30 1HG GLN 30 17.302 12.874 11.686 240 1HE2 GLN 30 1HE2 GLN 30 19.229 13.097 12.842 241 2HE2 GLN 30 2HE2 GLN 30 19.446 14.117 14.181 242 H SER 31 H SER 31 14.689 12.253 8.913 243 HA SER 31 HA SER 31 12.138 12.730 10.243 244 1HB SER 31 2HB SER 31 11.332 11.336 8.657 245 2HB SER 31 1HB SER 31 12.946 11.399 7.948 246 HG SER 31 HG SER 31 11.686 9.365 9.248 247 H LEU 32 H LEU 32 11.129 11.204 11.714 248 HA LEU 32 HA LEU 32 13.087 10.043 13.600 249 1HB LEU 32 2HB LEU 32 10.997 9.696 15.008 250 2HB LEU 32 1HB LEU 32 11.373 11.376 14.626 251 HG LEU 32 HG LEU 32 9.764 10.226 12.519 252 1HD1 LEU 32 1HD1 LEU 32 8.688 10.008 15.344 253 2HD1 LEU 32 3HD1 LEU 32 7.675 9.967 13.900 254 3HD1 LEU 32 2HD1 LEU 32 8.873 8.701 14.173 255 1HD2 LEU 32 1HD2 LEU 32 10.171 12.672 13.511 256 2HD2 LEU 32 3HD2 LEU 32 8.670 12.255 12.684 257 3HD2 LEU 32 2HD2 LEU 32 8.732 12.265 14.446 258 H ASP 33 H ASP 33 11.157 8.992 11.009 259 HA ASP 33 HA ASP 33 10.434 6.373 11.977 260 1HB ASP 33 2HB ASP 33 9.481 7.584 9.938 261 2HB ASP 33 1HB ASP 33 10.960 7.119 9.095 262 H GLY 34 H GLY 34 13.437 7.720 11.325 263 1HA GLY 34 1HA GLY 34 14.627 4.998 11.065 264 2HA GLY 34 2HA GLY 34 15.453 6.396 11.755 265 H ILE 35 H ILE 35 13.912 7.723 9.244 266 HA ILE 35 HA ILE 35 16.197 7.203 7.386 267 HB ILE 35 HB ILE 35 13.432 7.905 6.406 268 1HG1 ILE 35 2HG1 ILE 35 14.393 5.066 6.422 269 2HG1 ILE 35 1HG1 ILE 35 13.635 5.710 7.877 270 1HG2 ILE 35 1HG2 ILE 35 15.384 8.130 4.890 271 2HG2 ILE 35 3HG2 ILE 35 15.772 6.431 5.161 272 3HG2 ILE 35 2HG2 ILE 35 14.272 6.874 4.345 273 1HD1 ILE 35 3HD1 ILE 35 11.918 6.603 5.945 274 2HD1 ILE 35 2HD1 ILE 35 12.435 5.066 5.257 275 3HD1 ILE 35 1HD1 ILE 35 11.691 5.111 6.854 276 H MET 36 H MET 36 16.889 9.058 6.181 277 HA MET 36 HA MET 36 16.160 11.624 7.486 278 1HB MET 36 2HB MET 36 18.372 10.948 5.521 279 2HB MET 36 1HB MET 36 18.153 12.507 6.316 280 1HG MET 36 2HG MET 36 18.375 11.374 8.525 281 2HG MET 36 1HG MET 36 18.684 9.853 7.687 282 1HE MET 36 1HE MET 36 20.142 9.573 5.931 283 2HE MET 36 3HE MET 36 20.865 10.975 5.129 284 3HE MET 36 2HE MET 36 21.862 9.909 6.117 285 H PHE 37 H PHE 37 14.497 12.696 6.529 286 HA PHE 37 HA PHE 37 13.241 13.748 4.854 287 1HB PHE 37 2HB PHE 37 15.474 14.494 4.057 288 2HB PHE 37 1HB PHE 37 15.590 13.031 3.083 289 HD1 PHE 37 HD1 PHE 37 13.951 12.628 1.232 290 HD2 PHE 37 HD2 PHE 37 14.143 16.361 3.349 291 HE1 PHE 37 HE1 PHE 37 12.676 13.724 -0.587 292 HE2 PHE 37 HE2 PHE 37 12.864 17.457 1.530 293 HZ PHE 37 HZ PHE 37 12.131 16.139 -0.439 294 H ILE 38 H ILE 38 14.908 11.050 3.211 295 HA ILE 38 HA ILE 38 12.922 10.253 1.469 296 HB ILE 38 HB ILE 38 14.629 8.403 3.162 297 1HG1 ILE 38 1HG1 ILE 38 16.069 9.894 1.972 298 2HG1 ILE 38 2HG1 ILE 38 16.021 8.412 1.017 299 1HG2 ILE 38 3HG2 ILE 38 13.050 7.988 0.611 300 2HG2 ILE 38 2HG2 ILE 38 14.307 6.878 1.158 301 3HG2 ILE 38 1HG2 ILE 38 12.862 7.128 2.139 302 1HD1 ILE 38 1HD1 ILE 38 13.902 9.742 -0.047 303 2HD1 ILE 38 3HD1 ILE 38 14.936 11.100 0.394 304 3HD1 ILE 38 2HD1 ILE 38 15.539 9.850 -0.694 305 H ASN 39 H ASN 39 12.869 9.968 4.958 306 HA ASN 39 HA ASN 39 10.876 7.974 5.248 307 1HB ASN 39 2HB ASN 39 12.135 9.000 7.152 308 2HB ASN 39 1HB ASN 39 11.178 10.468 6.943 309 1HD2 ASN 39 1HD2 ASN 39 9.704 10.448 8.677 310 2HD2 ASN 39 2HD2 ASN 39 8.722 9.126 9.085 311 H LYS 40 H LYS 40 10.457 11.527 5.007 312 HA LYS 40 HA LYS 40 7.711 11.728 5.129 313 1HB LYS 40 2HB LYS 40 9.529 13.110 3.131 314 2HB LYS 40 1HB LYS 40 7.884 13.617 3.514 315 1HG LYS 40 2HG LYS 40 8.643 13.759 5.951 316 2HG LYS 40 1HG LYS 40 10.292 13.592 5.347 317 1HD LYS 40 2HD LYS 40 9.947 15.573 3.897 318 2HD LYS 40 1HD LYS 40 8.316 15.750 4.542 319 1HE LYS 40 2HE LYS 40 9.603 15.713 6.868 320 2HE LYS 40 1HE LYS 40 10.950 16.261 5.871 321 1HZ LYS 40 1HZ LYS 40 8.270 17.530 5.878 322 2HZ LYS 40 3HZ LYS 40 9.580 18.081 6.802 323 3HZ LYS 40 2HZ LYS 40 9.671 18.099 5.106 324 H CYS 41 H CYS 41 9.643 10.640 2.377 325 HA CYS 41 HA CYS 41 7.386 10.286 0.601 326 1HB CYS 41 2HB CYS 41 9.968 10.451 0.104 327 2HB CYS 41 1HB CYS 41 9.922 8.708 0.344 328 H ALA 42 H ALA 42 9.305 8.062 2.623 329 HA ALA 42 HA ALA 42 7.661 5.766 1.920 330 1HB ALA 42 1HB ALA 42 10.036 6.300 3.537 331 2HB ALA 42 3HB ALA 42 8.953 5.129 4.289 332 3HB ALA 42 2HB ALA 42 9.578 4.837 2.667 333 H THR 43 H THR 43 7.337 8.360 4.151 334 HA THR 43 HA THR 43 5.406 6.778 5.781 335 HB THR 43 HB THR 43 6.005 9.569 6.559 336 HG1 THR 43 HG1 THR 43 8.071 9.323 6.539 337 1HG2 THR 43 1HG2 THR 43 5.380 6.951 7.757 338 2HG2 THR 43 3HG2 THR 43 6.543 7.911 8.672 339 3HG2 THR 43 2HG2 THR 43 4.950 8.572 8.304 340 H CYS 44 H CYS 44 5.669 9.973 4.159 341 HA CYS 44 HA CYS 44 2.885 10.570 4.464 342 1HB CYS 44 2HB CYS 44 4.886 11.602 2.438 343 2HB CYS 44 1HB CYS 44 3.271 12.262 2.670 344 H LYS 45 H LYS 45 4.658 8.681 2.080 345 HA LYS 45 HA LYS 45 2.713 8.646 0.008 346 1HB LYS 45 2HB LYS 45 4.888 6.833 0.907 347 2HB LYS 45 1HB LYS 45 3.627 6.090 -0.074 348 1HG LYS 45 2HG LYS 45 3.939 7.915 -1.760 349 2HG LYS 45 1HG LYS 45 5.295 8.515 -0.805 350 1HD LYS 45 2HD LYS 45 6.240 6.118 -0.991 351 2HD LYS 45 1HD LYS 45 5.052 5.888 -2.274 352 1HE LYS 45 2HE LYS 45 6.483 8.400 -2.598 353 2HE LYS 45 1HE LYS 45 7.594 7.032 -2.547 354 1HZ LYS 45 1HZ LYS 45 5.586 6.121 -4.106 355 2HZ LYS 45 3HZ LYS 45 5.665 7.755 -4.555 356 3HZ LYS 45 2HZ LYS 45 7.047 6.773 -4.678 357 H MET 46 H MET 46 2.913 6.888 3.054 358 HA MET 46 HA MET 46 0.474 5.350 2.488 359 1HB MET 46 2HB MET 46 2.134 5.649 5.012 360 2HB MET 46 1HB MET 46 0.786 4.528 4.820 361 1HG MET 46 2HG MET 46 1.991 3.485 2.891 362 2HG MET 46 1HG MET 46 3.362 4.547 3.216 363 1HE MET 46 3HE MET 46 3.928 5.045 5.533 364 2HE MET 46 2HE MET 46 3.115 4.250 6.879 365 3HE MET 46 1HE MET 46 4.749 3.762 6.433 366 H ILE 47 H ILE 47 1.370 8.378 3.885 367 HA ILE 47 HA ILE 47 -1.109 8.682 5.431 368 HB ILE 47 HB ILE 47 1.078 10.656 4.714 369 1HG1 ILE 47 2HG1 ILE 47 1.905 8.930 6.190 370 2HG1 ILE 47 1HG1 ILE 47 1.626 10.374 7.162 371 1HG2 ILE 47 1HG2 ILE 47 -1.546 11.154 5.621 372 2HG2 ILE 47 3HG2 ILE 47 -0.504 11.332 7.034 373 3HG2 ILE 47 2HG2 ILE 47 -0.197 12.291 5.585 374 1HD1 ILE 47 2HD1 ILE 47 -0.639 9.448 7.755 375 2HD1 ILE 47 1HD1 ILE 47 -0.192 7.958 6.924 376 3HD1 ILE 47 3HD1 ILE 47 0.703 8.473 8.354 377 H LEU 48 H LEU 48 0.160 9.594 2.271 378 HA LEU 48 HA LEU 48 -2.089 11.380 1.702 379 1HB LEU 48 2HB LEU 48 -0.038 10.186 -0.191 380 2HB LEU 48 1HB LEU 48 -1.131 11.520 -0.547 381 HG LEU 48 HG LEU 48 1.242 11.475 1.305 382 1HD1 LEU 48 2HD1 LEU 48 1.352 12.240 -1.118 383 2HD1 LEU 48 1HD1 LEU 48 0.298 13.577 -0.654 384 3HD1 LEU 48 3HD1 LEU 48 1.898 13.423 0.074 385 1HD2 LEU 48 1HD2 LEU 48 -1.123 13.369 1.395 386 2HD2 LEU 48 3HD2 LEU 48 -0.523 12.353 2.706 387 3HD2 LEU 48 2HD2 LEU 48 0.438 13.718 2.138 388 H GLU 49 H GLU 49 -1.342 7.998 1.332 389 HA GLU 49 HA GLU 49 -3.409 7.468 -0.651 390 1HB GLU 49 2HB GLU 49 -1.781 5.710 1.198 391 2HB GLU 49 1HB GLU 49 -3.033 5.055 0.142 392 1HG GLU 49 2HG GLU 49 -1.889 6.044 -1.817 393 2HG GLU 49 1HG GLU 49 -0.629 6.675 -0.756 394 H LYS 50 H LYS 50 -3.176 7.486 2.864 395 HA LYS 50 HA LYS 50 -5.583 6.145 3.513 396 1HB LYS 50 2HB LYS 50 -3.865 6.901 5.168 397 2HB LYS 50 1HB LYS 50 -4.407 8.561 4.922 398 1HG LYS 50 2HG LYS 50 -6.689 7.903 5.646 399 2HG LYS 50 1HG LYS 50 -6.108 6.264 5.940 400 1HD LYS 50 2HD LYS 50 -4.420 7.225 7.539 401 2HD LYS 50 1HD LYS 50 -5.193 8.797 7.332 402 1HE LYS 50 2HE LYS 50 -6.515 8.157 9.063 403 2HE LYS 50 1HE LYS 50 -7.344 7.163 7.866 404 1HZ LYS 50 1HZ LYS 50 -4.938 5.999 8.972 405 2HZ LYS 50 3HZ LYS 50 -6.201 6.205 10.086 406 3HZ LYS 50 2HZ LYS 50 -6.455 5.291 8.676 407 H GLU 51 H GLU 51 -5.001 9.495 2.519 408 HA GLU 51 HA GLU 51 -7.609 10.519 3.014 409 1HB GLU 51 2HB GLU 51 -5.616 11.249 0.845 410 2HB GLU 51 1HB GLU 51 -7.038 12.204 1.264 411 1HG GLU 51 2HG GLU 51 -6.182 12.420 3.587 412 2HG GLU 51 1HG GLU 51 -4.740 11.517 3.122 413 H ALA 52 H ALA 52 -6.299 8.637 0.326 414 HA ALA 52 HA ALA 52 -8.508 8.965 -1.463 415 1HB ALA 52 1HB ALA 52 -7.263 6.318 -1.559 416 2HB ALA 52 3HB ALA 52 -7.301 7.583 -2.788 417 3HB ALA 52 2HB ALA 52 -6.075 7.621 -1.520 418 H LYS 53 H LYS 53 -8.030 6.968 1.369 419 HA LYS 53 HA LYS 53 -10.065 5.027 0.906 420 1HB LYS 53 2HB LYS 53 -8.385 4.914 2.754 421 2HB LYS 53 1HB LYS 53 -9.233 6.232 3.563 422 1HG LYS 53 2HG LYS 53 -11.303 4.839 3.579 423 2HG LYS 53 1HG LYS 53 -10.384 3.512 2.869 424 1HD LYS 53 2HD LYS 53 -8.816 3.645 4.836 425 2HD LYS 53 1HD LYS 53 -9.910 4.822 5.562 426 1HE LYS 53 2HE LYS 53 -10.884 2.975 6.483 427 2HE LYS 53 1HE LYS 53 -11.664 2.841 4.907 428 1HZ LYS 53 2HZ LYS 53 -9.340 1.639 4.422 429 2HZ LYS 53 1HZ LYS 53 -9.536 1.245 6.063 430 3HZ LYS 53 3HZ LYS 53 -10.732 0.812 4.940 431 H SER 54 H SER 54 -10.204 8.346 2.098 432 HA SER 54 HA SER 54 -12.899 8.292 3.053 433 1HB SER 54 2HB SER 54 -11.437 10.636 1.799 434 2HB SER 54 1HB SER 54 -12.814 10.719 2.898 435 HG SER 54 HG SER 54 -10.149 10.252 3.418 436 H GLN 55 H GLN 55 -11.538 8.483 -0.162 437 HA GLN 55 HA GLN 55 -14.240 8.181 -1.295 438 1HB GLN 55 2HB GLN 55 -12.441 10.515 -2.017 439 2HB GLN 55 1HB GLN 55 -13.900 10.062 -2.899 440 1HG GLN 55 2HG GLN 55 -15.243 10.393 -0.855 441 2HG GLN 55 1HG GLN 55 -13.785 10.838 0.033 442 1HE2 GLN 55 1HE2 GLN 55 -15.909 12.704 -0.181 443 2HE2 GLN 55 2HE2 GLN 55 -15.426 13.982 -1.188 No H/Q in entry = 443 Start of MODEL 27 1 H1 LYS 1 2H LYS 1 0.047 4.454 9.581 2 H2 LYS 1 1H LYS 1 -0.313 4.177 11.218 3 H3 LYS 1 3H LYS 1 0.939 5.241 10.794 4 HA LYS 1 HA LYS 1 2.247 3.451 9.900 5 1HB LYS 1 2HB LYS 1 1.103 2.906 12.656 6 2HB LYS 1 1HB LYS 1 2.563 2.149 12.019 7 1HG LYS 1 2HG LYS 1 3.537 4.430 11.679 8 2HG LYS 1 1HG LYS 1 2.112 5.116 12.459 9 1HD LYS 1 2HD LYS 1 2.612 3.729 14.481 10 2HD LYS 1 1HD LYS 1 4.098 3.188 13.700 11 1HE LYS 1 2HE LYS 1 3.866 6.080 13.589 12 2HE LYS 1 1HE LYS 1 3.767 5.506 15.254 13 1HZ LYS 1 3HZ LYS 1 5.765 4.028 14.073 14 2HZ LYS 1 2HZ LYS 1 6.017 5.617 13.528 15 3HZ LYS 1 1HZ LYS 1 5.957 5.286 15.193 16 H ASN 2 H ASN 2 0.363 2.718 8.290 17 HA ASN 2 HA ASN 2 -1.377 0.596 8.862 18 1HB ASN 2 2HB ASN 2 0.257 1.059 6.348 19 2HB ASN 2 1HB ASN 2 -1.119 -0.039 6.463 20 1HD2 ASN 2 1HD2 ASN 2 -1.143 2.231 4.694 21 2HD2 ASN 2 2HD2 ASN 2 -2.310 3.327 5.256 22 H GLU 3 H GLU 3 2.102 0.485 8.162 23 HA GLU 3 HA GLU 3 2.432 -2.306 7.937 24 1HB GLU 3 2HB GLU 3 4.269 -0.266 9.230 25 2HB GLU 3 1HB GLU 3 4.744 -1.908 8.796 26 1HG GLU 3 2HG GLU 3 3.728 0.212 6.878 27 2HG GLU 3 1HG GLU 3 5.399 -0.333 7.024 28 H ASP 4 H ASP 4 1.863 -0.316 10.773 29 HA ASP 4 HA ASP 4 1.613 -0.899 13.038 30 1HB ASP 4 2HB ASP 4 0.614 -3.464 11.760 31 2HB ASP 4 1HB ASP 4 0.273 -2.929 13.406 32 H GLN 5 H GLN 5 4.236 -1.301 12.076 33 HA GLN 5 HA GLN 5 5.305 -3.894 12.564 34 1HB GLN 5 2HB GLN 5 6.582 -1.166 12.933 35 2HB GLN 5 1HB GLN 5 7.464 -2.693 12.929 36 1HG GLN 5 2HG GLN 5 6.714 -3.151 10.643 37 2HG GLN 5 1HG GLN 5 5.747 -1.676 10.643 38 1HE2 GLN 5 1HE2 GLN 5 7.773 -1.990 8.696 39 2HE2 GLN 5 2HE2 GLN 5 9.041 -0.912 9.028 40 H GLU 6 H GLU 6 4.380 -1.301 14.743 41 HA GLU 6 HA GLU 6 5.756 -2.182 17.076 42 1HB GLU 6 2HB GLU 6 3.109 -0.741 16.755 43 2HB GLU 6 1HB GLU 6 3.905 -0.988 18.310 44 1HG GLU 6 2HG GLU 6 5.934 0.165 17.384 45 2HG GLU 6 1HG GLU 6 5.011 0.524 15.925 46 H MET 7 H MET 7 2.315 -2.749 16.230 47 HA MET 7 HA MET 7 1.611 -4.554 18.196 48 1HB MET 7 2HB MET 7 0.955 -4.926 15.260 49 2HB MET 7 1HB MET 7 0.025 -5.531 16.630 50 1HG MET 7 2HG MET 7 0.471 -2.636 15.861 51 2HG MET 7 1HG MET 7 -1.054 -3.521 15.843 52 1HE MET 7 3HE MET 7 -1.260 -5.189 18.196 53 2HE MET 7 2HE MET 7 -1.915 -4.167 19.473 54 3HE MET 7 1HE MET 7 -2.527 -4.010 17.829 55 H CYS 8 H CYS 8 3.665 -5.180 15.399 56 HA CYS 8 HA CYS 8 3.753 -8.016 15.589 57 1HB CYS 8 2HB CYS 8 4.667 -6.773 13.664 58 2HB CYS 8 1HB CYS 8 5.939 -6.115 14.693 59 H HIS 9 H HIS 9 5.277 -5.541 17.523 60 HA HIS 9 HA HIS 9 7.418 -7.008 18.638 61 1HB HIS 9 2HB HIS 9 7.489 -5.376 20.320 62 2HB HIS 9 1HB HIS 9 6.673 -4.522 19.012 63 HD1 HIS 9 HD1 HIS 9 6.369 -4.805 22.465 64 HD2 HIS 9 HD2 HIS 9 3.600 -5.271 19.385 65 HE1 HIS 9 HE1 HIS 9 4.080 -4.517 23.509 66 H GLU 10 H GLU 10 3.969 -7.170 19.258 67 HA GLU 10 HA GLU 10 4.224 -8.812 21.650 68 1HB GLU 10 2HB GLU 10 2.234 -7.392 21.224 69 2HB GLU 10 1HB GLU 10 1.840 -8.387 19.822 70 1HG GLU 10 2HG GLU 10 1.776 -10.384 21.371 71 2HG GLU 10 1HG GLU 10 1.930 -9.261 22.722 72 H PHE 11 H PHE 11 3.963 -9.396 18.191 73 HA PHE 11 HA PHE 11 3.559 -12.291 18.636 74 1HB PHE 11 2HB PHE 11 3.261 -10.424 16.387 75 2HB PHE 11 1HB PHE 11 4.021 -11.947 15.929 76 HD1 PHE 11 HD1 PHE 11 2.722 -13.786 17.918 77 HD2 PHE 11 HD2 PHE 11 1.076 -10.651 15.484 78 HE1 PHE 11 HE1 PHE 11 0.509 -14.901 17.976 79 HE2 PHE 11 HE2 PHE 11 -1.136 -11.766 15.545 80 HZ PHE 11 HZ PHE 11 -1.420 -13.891 16.790 81 H GLN 12 H GLN 12 6.148 -10.250 18.749 82 HA GLN 12 HA GLN 12 8.108 -11.613 17.153 83 1HB GLN 12 2HB GLN 12 8.269 -9.804 19.563 84 2HB GLN 12 1HB GLN 12 9.717 -10.538 18.877 85 1HG GLN 12 2HG GLN 12 9.112 -9.568 16.658 86 2HG GLN 12 1HG GLN 12 7.738 -8.764 17.416 87 1HE2 GLN 12 1HE2 GLN 12 9.408 -6.971 16.328 88 2HE2 GLN 12 2HE2 GLN 12 10.426 -6.246 17.476 89 H ALA 13 H ALA 13 6.887 -12.115 20.428 90 HA ALA 13 HA ALA 13 8.899 -14.060 21.169 91 1HB ALA 13 3HB ALA 13 7.903 -13.410 23.110 92 2HB ALA 13 1HB ALA 13 6.733 -14.674 22.731 93 3HB ALA 13 2HB ALA 13 6.390 -12.997 22.305 94 H PHE 14 H PHE 14 5.915 -14.177 19.366 95 HA PHE 14 HA PHE 14 5.781 -17.123 19.524 96 1HB PHE 14 2HB PHE 14 4.094 -15.087 18.039 97 2HB PHE 14 1HB PHE 14 3.798 -16.825 18.017 98 HD1 PHE 14 HD1 PHE 14 3.270 -18.025 20.165 99 HD2 PHE 14 HD2 PHE 14 3.464 -13.742 19.912 100 HE1 PHE 14 HE1 PHE 14 2.034 -17.843 22.307 101 HE2 PHE 14 HE2 PHE 14 2.227 -13.559 22.053 102 HZ PHE 14 HZ PHE 14 1.512 -15.609 23.251 103 H MET 15 H MET 15 7.579 -14.936 17.791 104 HA MET 15 HA MET 15 7.419 -16.220 15.167 105 1HB MET 15 2HB MET 15 8.099 -13.769 15.704 106 2HB MET 15 1HB MET 15 9.677 -14.450 16.100 107 1HG MET 15 2HG MET 15 8.271 -14.992 13.474 108 2HG MET 15 1HG MET 15 9.397 -13.654 13.694 109 1HE MET 15 3HE MET 15 11.618 -13.781 14.537 110 2HE MET 15 2HE MET 15 11.620 -15.035 15.774 111 3HE MET 15 1HE MET 15 12.740 -15.142 14.419 112 H LYS 16 H LYS 16 8.603 -17.966 14.520 113 HA LYS 16 HA LYS 16 11.024 -18.701 16.099 114 1HB LYS 16 2HB LYS 16 8.776 -20.582 15.314 115 2HB LYS 16 1HB LYS 16 10.312 -21.085 16.020 116 1HG LYS 16 2HG LYS 16 9.818 -19.617 17.994 117 2HG LYS 16 1HG LYS 16 8.228 -19.294 17.302 118 1HD LYS 16 2HD LYS 16 7.734 -21.722 17.334 119 2HD LYS 16 1HD LYS 16 9.313 -22.026 18.058 120 1HE LYS 16 2HE LYS 16 8.016 -21.917 19.974 121 2HE LYS 16 1HE LYS 16 8.460 -20.218 19.816 122 1HZ LYS 16 2HZ LYS 16 6.058 -21.214 18.449 123 2HZ LYS 16 1HZ LYS 16 5.988 -20.891 20.115 124 3HZ LYS 16 3HZ LYS 16 6.399 -19.654 19.030 125 H ASN 17 H ASN 17 12.604 -19.836 14.867 126 HA ASN 17 HA ASN 17 13.832 -20.110 12.873 127 1HB ASN 17 2HB ASN 17 11.178 -21.344 12.075 128 2HB ASN 17 1HB ASN 17 12.717 -21.616 11.259 129 1HD2 ASN 17 1HD2 ASN 17 11.175 -23.727 12.556 130 2HD2 ASN 17 2HD2 ASN 17 12.110 -24.317 13.843 131 H GLY 18 H GLY 18 12.169 -17.601 13.137 132 1HA GLY 18 1HA GLY 18 12.528 -16.701 10.382 133 2HA GLY 18 2HA GLY 18 11.973 -15.709 11.730 134 H LYS 19 H LYS 19 9.880 -17.768 12.384 135 HA LYS 19 HA LYS 19 7.949 -16.983 10.244 136 1HB LYS 19 2HB LYS 19 8.730 -19.442 10.180 137 2HB LYS 19 1HB LYS 19 7.826 -19.638 11.681 138 1HG LYS 19 2HG LYS 19 6.094 -18.243 9.964 139 2HG LYS 19 1HG LYS 19 6.838 -19.482 8.954 140 1HD LYS 19 2HD LYS 19 6.330 -21.009 11.078 141 2HD LYS 19 1HD LYS 19 5.085 -19.791 11.357 142 1HE LYS 19 2HE LYS 19 4.112 -21.547 10.006 143 2HE LYS 19 1HE LYS 19 4.329 -20.133 8.975 144 1HZ LYS 19 2HZ LYS 19 6.307 -22.334 9.174 145 2HZ LYS 19 1HZ LYS 19 5.091 -22.272 7.989 146 3HZ LYS 19 3HZ LYS 19 6.282 -21.066 8.044 147 H LEU 20 H LEU 20 5.912 -16.373 11.025 148 HA LEU 20 HA LEU 20 5.754 -16.015 13.967 149 1HB LEU 20 2HB LEU 20 5.344 -14.020 12.631 150 2HB LEU 20 1HB LEU 20 4.104 -14.861 11.699 151 HG LEU 20 HG LEU 20 2.777 -15.169 13.771 152 1HD1 LEU 20 1HD1 LEU 20 4.783 -15.128 15.295 153 2HD1 LEU 20 3HD1 LEU 20 4.859 -13.382 15.060 154 3HD1 LEU 20 2HD1 LEU 20 3.453 -14.107 15.839 155 1HD2 LEU 20 3HD2 LEU 20 3.630 -12.384 12.973 156 2HD2 LEU 20 2HD2 LEU 20 2.157 -13.247 12.529 157 3HD2 LEU 20 1HD2 LEU 20 2.368 -12.651 14.175 158 H PHE 21 H PHE 21 4.814 -17.723 14.993 159 HA PHE 21 HA PHE 21 2.729 -19.297 13.611 160 1HB PHE 21 2HB PHE 21 4.094 -19.624 16.298 161 2HB PHE 21 1HB PHE 21 2.847 -20.713 15.690 162 HD1 PHE 21 HD1 PHE 21 6.189 -19.265 14.845 163 HD2 PHE 21 HD2 PHE 21 3.397 -22.467 14.214 164 HE1 PHE 21 HE1 PHE 21 7.901 -20.501 13.545 165 HE2 PHE 21 HE2 PHE 21 5.109 -23.704 12.914 166 HZ PHE 21 HZ PHE 21 7.361 -22.721 12.580 167 H CYS 22 H CYS 22 0.701 -18.449 13.709 168 HA CYS 22 HA CYS 22 -0.098 -16.730 15.950 169 1HB CYS 22 2HB CYS 22 -1.894 -17.790 13.761 170 2HB CYS 22 1HB CYS 22 -2.086 -16.313 14.706 171 HA PRO 23 HA PRO 23 -1.543 -20.262 18.324 172 1HB PRO 23 2HB PRO 23 -2.616 -18.832 20.350 173 2HB PRO 23 1HB PRO 23 -0.880 -19.105 20.181 174 1HG PRO 23 2HG PRO 23 -2.507 -16.707 19.418 175 2HG PRO 23 1HG PRO 23 -0.940 -16.772 20.231 176 1HD PRO 23 2HD PRO 23 -1.161 -16.233 17.594 177 2HD PRO 23 1HD PRO 23 0.214 -17.119 18.255 178 H GLN 24 H GLN 24 -3.795 -20.466 19.695 179 HA GLN 24 HA GLN 24 -5.863 -20.799 17.828 180 1HB GLN 24 2HB GLN 24 -6.088 -20.258 20.805 181 2HB GLN 24 1HB GLN 24 -7.389 -20.888 19.795 182 1HG GLN 24 2HG GLN 24 -6.037 -22.855 19.236 183 2HG GLN 24 1HG GLN 24 -4.686 -22.215 20.171 184 1HE2 GLN 24 1HE2 GLN 24 -5.802 -24.733 20.862 185 2HE2 GLN 24 2HE2 GLN 24 -6.611 -24.591 22.347 186 H ASP 25 H ASP 25 -4.934 -17.936 19.636 187 HA ASP 25 HA ASP 25 -5.661 -15.714 19.449 188 1HB ASP 25 2HB ASP 25 -6.741 -16.846 16.856 189 2HB ASP 25 1HB ASP 25 -6.841 -15.137 17.280 190 H LYS 26 H LYS 26 -7.185 -17.258 21.145 191 HA LYS 26 HA LYS 26 -9.947 -17.471 20.624 192 1HB LYS 26 2HB LYS 26 -8.509 -16.800 23.207 193 2HB LYS 26 1HB LYS 26 -10.224 -17.202 23.113 194 1HG LYS 26 2HG LYS 26 -9.581 -19.367 22.002 195 2HG LYS 26 1HG LYS 26 -7.892 -18.970 22.319 196 1HD LYS 26 2HD LYS 26 -8.503 -18.754 24.766 197 2HD LYS 26 1HD LYS 26 -10.089 -19.410 24.359 198 1HE LYS 26 2HE LYS 26 -8.861 -21.318 25.002 199 2HE LYS 26 1HE LYS 26 -8.756 -21.343 23.241 200 1HZ LYS 26 3HZ LYS 26 -6.711 -19.959 24.853 201 2HZ LYS 26 2HZ LYS 26 -6.620 -21.636 24.598 202 3HZ LYS 26 1HZ LYS 26 -6.590 -20.569 23.276 203 H LYS 27 H LYS 27 -8.005 -14.655 21.415 204 HA LYS 27 HA LYS 27 -10.471 -12.982 21.138 205 1HB LYS 27 2HB LYS 27 -9.301 -13.045 23.444 206 2HB LYS 27 1HB LYS 27 -8.011 -12.128 22.666 207 1HG LYS 27 2HG LYS 27 -10.006 -10.610 21.836 208 2HG LYS 27 1HG LYS 27 -10.849 -11.319 23.214 209 1HD LYS 27 2HD LYS 27 -8.122 -10.452 23.860 210 2HD LYS 27 1HD LYS 27 -9.159 -9.128 23.328 211 1HE LYS 27 2HE LYS 27 -10.896 -9.957 24.972 212 2HE LYS 27 1HE LYS 27 -9.679 -11.072 25.594 213 1HZ LYS 27 2HZ LYS 27 -9.323 -8.129 25.431 214 2HZ LYS 27 1HZ LYS 27 -9.811 -8.956 26.833 215 3HZ LYS 27 3HZ LYS 27 -8.277 -9.245 26.171 216 HA PRO 28 HA PRO 28 -7.700 -11.940 17.589 217 1HB PRO 28 2HB PRO 28 -9.731 -11.267 15.935 218 2HB PRO 28 1HB PRO 28 -9.182 -12.930 16.156 219 1HG PRO 28 2HG PRO 28 -11.516 -11.522 17.399 220 2HG PRO 28 1HG PRO 28 -11.436 -13.150 16.719 221 1HD PRO 28 1HD PRO 28 -11.321 -12.705 19.380 222 2HD PRO 28 2HD PRO 28 -10.444 -14.031 18.616 223 H ILE 29 H ILE 29 -7.426 -9.848 16.470 224 HA ILE 29 HA ILE 29 -8.684 -7.607 17.996 225 HB ILE 29 HB ILE 29 -6.648 -6.713 18.407 226 1HG1 ILE 29 1HG1 ILE 29 -6.655 -5.876 16.030 227 2HG1 ILE 29 2HG1 ILE 29 -5.043 -6.153 16.688 228 1HG2 ILE 29 2HG2 ILE 29 -5.801 -9.367 17.248 229 2HG2 ILE 29 1HG2 ILE 29 -4.628 -8.227 17.907 230 3HG2 ILE 29 3HG2 ILE 29 -5.895 -8.887 18.943 231 1HD1 ILE 29 1HD1 ILE 29 -5.501 -8.592 15.631 232 2HD1 ILE 29 3HD1 ILE 29 -6.497 -7.624 14.545 233 3HD1 ILE 29 2HD1 ILE 29 -4.775 -7.281 14.705 234 H GLN 30 H GLN 30 -8.794 -5.540 16.687 235 HA GLN 30 HA GLN 30 -9.889 -6.165 14.033 236 1HB GLN 30 2HB GLN 30 -9.631 -3.566 15.579 237 2HB GLN 30 1HB GLN 30 -10.409 -3.703 14.002 238 1HG GLN 30 2HG GLN 30 -11.993 -5.363 14.945 239 2HG GLN 30 1HG GLN 30 -11.229 -5.179 16.524 240 1HE2 GLN 30 1HE2 GLN 30 -13.942 -4.556 16.346 241 2HE2 GLN 30 2HE2 GLN 30 -14.163 -2.875 16.437 242 H SER 31 H SER 31 -8.818 -5.775 12.101 243 HA SER 31 HA SER 31 -5.985 -5.119 12.287 244 1HB SER 31 2HB SER 31 -6.916 -6.811 10.674 245 2HB SER 31 1HB SER 31 -7.653 -5.477 9.789 246 HG SER 31 HG SER 31 -5.445 -6.276 9.166 247 H LEU 32 H LEU 32 -4.980 -3.465 10.941 248 HA LEU 32 HA LEU 32 -6.637 -0.983 10.847 249 1HB LEU 32 2HB LEU 32 -3.617 -1.291 10.939 250 2HB LEU 32 1HB LEU 32 -4.503 0.233 10.987 251 HG LEU 32 HG LEU 32 -5.668 -0.650 13.072 252 1HD1 LEU 32 3HD1 LEU 32 -3.704 -2.841 12.517 253 2HD1 LEU 32 2HD1 LEU 32 -4.031 -2.416 14.198 254 3HD1 LEU 32 1HD1 LEU 32 -5.347 -2.945 13.150 255 1HD2 LEU 32 1HD2 LEU 32 -3.558 0.888 12.904 256 2HD2 LEU 32 3HD2 LEU 32 -3.971 0.179 14.466 257 3HD2 LEU 32 2HD2 LEU 32 -2.688 -0.533 13.486 258 H ASP 33 H ASP 33 -5.052 -3.340 8.963 259 HA ASP 33 HA ASP 33 -4.349 -1.704 6.688 260 1HB ASP 33 2HB ASP 33 -4.949 -4.674 6.857 261 2HB ASP 33 1HB ASP 33 -4.183 -3.862 5.492 262 H GLY 34 H GLY 34 -7.312 -2.627 8.007 263 1HA GLY 34 1HA GLY 34 -8.683 -2.001 5.434 264 2HA GLY 34 2HA GLY 34 -9.370 -1.715 7.033 265 H ILE 35 H ILE 35 -8.258 -4.420 7.897 266 HA ILE 35 HA ILE 35 -10.388 -6.072 6.586 267 HB ILE 35 HB ILE 35 -8.911 -8.036 6.895 268 1HG1 ILE 35 1HG1 ILE 35 -7.074 -5.923 8.033 269 2HG1 ILE 35 2HG1 ILE 35 -7.574 -7.445 8.768 270 1HG2 ILE 35 1HG2 ILE 35 -8.876 -6.546 4.814 271 2HG2 ILE 35 3HG2 ILE 35 -7.393 -5.846 5.463 272 3HG2 ILE 35 2HG2 ILE 35 -7.456 -7.562 5.061 273 1HD1 ILE 35 2HD1 ILE 35 -6.406 -8.348 6.472 274 2HD1 ILE 35 1HD1 ILE 35 -5.432 -6.915 6.797 275 3HD1 ILE 35 3HD1 ILE 35 -5.555 -8.190 8.009 276 H MET 36 H MET 36 -11.132 -7.896 8.013 277 HA MET 36 HA MET 36 -11.205 -6.986 10.856 278 1HB MET 36 2HB MET 36 -13.054 -8.796 9.270 279 2HB MET 36 1HB MET 36 -13.211 -8.507 11.002 280 1HG MET 36 2HG MET 36 -13.381 -6.050 10.513 281 2HG MET 36 1HG MET 36 -13.391 -6.437 8.793 282 1HE MET 36 1HE MET 36 -14.616 -7.072 12.118 283 2HE MET 36 3HE MET 36 -16.379 -6.953 12.053 284 3HE MET 36 2HE MET 36 -15.588 -8.509 11.812 285 H PHE 37 H PHE 37 -8.873 -8.207 10.175 286 HA PHE 37 HA PHE 37 -9.161 -10.950 11.339 287 1HB PHE 37 2HB PHE 37 -8.595 -11.211 9.013 288 2HB PHE 37 1HB PHE 37 -7.358 -9.960 9.122 289 HD1 PHE 37 HD1 PHE 37 -5.293 -10.363 10.497 290 HD2 PHE 37 HD2 PHE 37 -8.138 -13.471 9.657 291 HE1 PHE 37 HE1 PHE 37 -3.611 -12.073 11.123 292 HE2 PHE 37 HE2 PHE 37 -6.453 -15.182 10.281 293 HZ PHE 37 HZ PHE 37 -4.190 -14.482 11.014 294 H ILE 38 H ILE 38 -7.199 -11.666 12.523 295 HA ILE 38 HA ILE 38 -6.219 -9.676 14.320 296 HB ILE 38 HB ILE 38 -4.947 -12.351 13.674 297 1HG1 ILE 38 2HG1 ILE 38 -7.017 -11.725 15.795 298 2HG1 ILE 38 1HG1 ILE 38 -7.416 -12.440 14.232 299 1HG2 ILE 38 2HG2 ILE 38 -4.286 -10.226 15.483 300 2HG2 ILE 38 1HG2 ILE 38 -4.813 -11.622 16.424 301 3HG2 ILE 38 3HG2 ILE 38 -3.480 -11.782 15.282 302 1HD1 ILE 38 1HD1 ILE 38 -5.430 -14.102 14.948 303 2HD1 ILE 38 3HD1 ILE 38 -5.982 -13.635 16.556 304 3HD1 ILE 38 2HD1 ILE 38 -7.105 -14.385 15.422 305 H ASN 39 H ASN 39 -5.506 -8.044 12.717 306 HA ASN 39 HA ASN 39 -3.537 -8.354 10.764 307 1HB ASN 39 2HB ASN 39 -4.851 -6.245 11.543 308 2HB ASN 39 1HB ASN 39 -3.463 -5.969 12.588 309 1HD2 ASN 39 1HD2 ASN 39 -3.160 -3.990 11.120 310 2HD2 ASN 39 2HD2 ASN 39 -2.325 -4.205 9.658 311 H LYS 40 H LYS 40 -3.106 -8.176 14.273 312 HA LYS 40 HA LYS 40 -0.396 -7.641 14.482 313 1HB LYS 40 2HB LYS 40 -1.929 -9.800 15.962 314 2HB LYS 40 1HB LYS 40 -0.352 -9.177 16.447 315 1HG LYS 40 2HG LYS 40 -1.425 -6.863 16.483 316 2HG LYS 40 1HG LYS 40 -2.980 -7.682 16.332 317 1HD LYS 40 2HD LYS 40 -2.475 -8.988 18.379 318 2HD LYS 40 1HD LYS 40 -0.940 -8.133 18.535 319 1HE LYS 40 2HE LYS 40 -1.948 -6.357 19.493 320 2HE LYS 40 1HE LYS 40 -3.146 -6.270 18.201 321 1HZ LYS 40 1HZ LYS 40 -3.861 -8.487 19.598 322 2HZ LYS 40 3HZ LYS 40 -3.364 -7.417 20.818 323 3HZ LYS 40 2HZ LYS 40 -4.586 -6.956 19.731 324 H CYS 41 H CYS 41 -1.878 -10.726 13.573 325 HA CYS 41 HA CYS 41 0.764 -11.932 13.087 326 1HB CYS 41 2HB CYS 41 -1.960 -12.871 13.400 327 2HB CYS 41 1HB CYS 41 -1.252 -13.527 11.925 328 H ALA 42 H ALA 42 -1.701 -10.208 11.376 329 HA ALA 42 HA ALA 42 -0.857 -11.068 8.714 330 1HB ALA 42 1HB ALA 42 -2.741 -10.031 8.025 331 2HB ALA 42 2HB ALA 42 -2.324 -8.541 8.870 332 3HB ALA 42 3HB ALA 42 -3.122 -9.853 9.737 333 H THR 43 H THR 43 0.006 -8.524 10.970 334 HA THR 43 HA THR 43 1.625 -7.218 8.825 335 HB THR 43 HB THR 43 1.879 -5.452 10.753 336 HG1 THR 43 HG1 THR 43 0.939 -6.382 12.439 337 1HG2 THR 43 2HG2 THR 43 -0.443 -5.995 8.946 338 2HG2 THR 43 1HG2 THR 43 -0.584 -4.679 10.111 339 3HG2 THR 43 3HG2 THR 43 0.711 -4.662 8.915 340 H CYS 44 H CYS 44 1.791 -8.750 11.995 341 HA CYS 44 HA CYS 44 4.601 -8.228 12.420 342 1HB CYS 44 2HB CYS 44 2.934 -8.882 14.208 343 2HB CYS 44 1HB CYS 44 2.955 -10.512 13.542 344 H LYS 45 H LYS 45 2.761 -10.754 10.798 345 HA LYS 45 HA LYS 45 5.056 -12.519 10.460 346 1HB LYS 45 2HB LYS 45 2.702 -13.343 10.463 347 2HB LYS 45 1HB LYS 45 2.421 -12.471 8.956 348 1HG LYS 45 2HG LYS 45 4.312 -13.780 7.932 349 2HG LYS 45 1HG LYS 45 4.385 -14.735 9.413 350 1HD LYS 45 2HD LYS 45 1.958 -15.304 9.086 351 2HD LYS 45 1HD LYS 45 2.026 -14.487 7.524 352 1HE LYS 45 2HE LYS 45 4.223 -16.378 7.863 353 2HE LYS 45 1HE LYS 45 2.650 -17.163 8.006 354 1HZ LYS 45 2HZ LYS 45 2.749 -15.260 5.869 355 2HZ LYS 45 1HZ LYS 45 3.895 -16.500 5.680 356 3HZ LYS 45 3HZ LYS 45 2.252 -16.884 5.850 357 H MET 46 H MET 46 3.551 -9.916 8.635 358 HA MET 46 HA MET 46 5.171 -10.450 6.244 359 1HB MET 46 2HB MET 46 3.355 -8.138 6.992 360 2HB MET 46 1HB MET 46 4.161 -8.305 5.432 361 1HG MET 46 2HG MET 46 2.175 -10.256 6.639 362 2HG MET 46 1HG MET 46 1.875 -9.173 5.279 363 1HE MET 46 2HE MET 46 3.475 -8.924 3.467 364 2HE MET 46 1HE MET 46 5.058 -9.637 3.763 365 3HE MET 46 3HE MET 46 4.019 -10.281 2.485 366 H ILE 47 H ILE 47 5.346 -8.505 9.133 367 HA ILE 47 HA ILE 47 7.597 -6.913 8.049 368 HB ILE 47 HB ILE 47 5.843 -5.841 9.485 369 1HG1 ILE 47 1HG1 ILE 47 7.519 -4.785 11.092 370 2HG1 ILE 47 2HG1 ILE 47 8.708 -5.923 10.459 371 1HG2 ILE 47 1HG2 ILE 47 5.833 -8.044 10.959 372 2HG2 ILE 47 3HG2 ILE 47 7.084 -7.185 11.859 373 3HG2 ILE 47 2HG2 ILE 47 5.477 -6.478 11.688 374 1HD1 ILE 47 3HD1 ILE 47 8.108 -5.063 8.136 375 2HD1 ILE 47 2HD1 ILE 47 7.209 -3.776 8.939 376 3HD1 ILE 47 1HD1 ILE 47 8.951 -3.913 9.173 377 H LEU 48 H LEU 48 7.057 -9.819 9.749 378 HA LEU 48 HA LEU 48 9.576 -9.783 11.243 379 1HB LEU 48 2HB LEU 48 7.339 -11.725 10.826 380 2HB LEU 48 1HB LEU 48 8.901 -12.361 11.340 381 HG LEU 48 HG LEU 48 7.421 -10.106 12.729 382 1HD1 LEU 48 1HD1 LEU 48 7.577 -13.076 13.249 383 2HD1 LEU 48 3HD1 LEU 48 7.233 -11.933 14.547 384 3HD1 LEU 48 2HD1 LEU 48 6.144 -12.052 13.165 385 1HD2 LEU 48 1HD2 LEU 48 10.054 -11.477 13.105 386 2HD2 LEU 48 3HD2 LEU 48 9.634 -9.779 13.330 387 3HD2 LEU 48 2HD2 LEU 48 9.168 -10.971 14.543 388 H GLU 49 H GLU 49 8.419 -10.932 8.131 389 HA GLU 49 HA GLU 49 10.649 -12.659 7.551 390 1HB GLU 49 2HB GLU 49 8.792 -11.146 5.689 391 2HB GLU 49 1HB GLU 49 9.913 -12.409 5.183 392 1HG GLU 49 2HG GLU 49 8.774 -14.037 6.609 393 2HG GLU 49 1HG GLU 49 7.700 -12.780 7.224 394 H LYS 50 H LYS 50 10.104 -9.198 7.253 395 HA LYS 50 HA LYS 50 12.224 -8.525 5.500 396 1HB LYS 50 2HB LYS 50 11.121 -7.001 7.880 397 2HB LYS 50 1HB LYS 50 12.202 -6.311 6.669 398 1HG LYS 50 2HG LYS 50 10.518 -6.972 4.909 399 2HG LYS 50 1HG LYS 50 9.420 -7.427 6.212 400 1HD LYS 50 2HD LYS 50 9.688 -5.080 7.126 401 2HD LYS 50 1HD LYS 50 10.557 -4.675 5.645 402 1HE LYS 50 2HE LYS 50 8.450 -5.719 4.464 403 2HE LYS 50 1HE LYS 50 7.662 -5.395 6.008 404 1HZ LYS 50 2HZ LYS 50 8.692 -3.078 5.753 405 2HZ LYS 50 1HZ LYS 50 8.874 -3.487 4.114 406 3HZ LYS 50 3HZ LYS 50 7.329 -3.459 4.813 407 H GLU 51 H GLU 51 12.235 -9.218 8.972 408 HA GLU 51 HA GLU 51 14.947 -8.416 9.459 409 1HB GLU 51 2HB GLU 51 13.225 -10.485 10.858 410 2HB GLU 51 1HB GLU 51 14.765 -9.882 11.471 411 1HG GLU 51 2HG GLU 51 13.840 -7.577 11.466 412 2HG GLU 51 1HG GLU 51 12.292 -8.215 10.913 413 H ALA 52 H ALA 52 13.500 -11.369 8.200 414 HA ALA 52 HA ALA 52 15.801 -13.056 8.454 415 1HB ALA 52 1HB ALA 52 13.232 -13.115 7.024 416 2HB ALA 52 2HB ALA 52 14.109 -14.426 7.812 417 3HB ALA 52 3HB ALA 52 14.532 -13.945 6.169 418 H LYS 53 H LYS 53 14.924 -10.559 6.161 419 HA LYS 53 HA LYS 53 16.735 -11.268 4.062 420 1HB LYS 53 2HB LYS 53 15.673 -8.563 4.933 421 2HB LYS 53 1HB LYS 53 16.568 -8.842 3.439 422 1HG LYS 53 2HG LYS 53 14.842 -10.539 2.787 423 2HG LYS 53 1HG LYS 53 13.920 -10.095 4.223 424 1HD LYS 53 2HD LYS 53 13.875 -7.729 3.395 425 2HD LYS 53 1HD LYS 53 14.662 -8.273 1.914 426 1HE LYS 53 2HE LYS 53 12.507 -10.037 2.286 427 2HE LYS 53 1HE LYS 53 11.863 -8.441 2.667 428 1HZ LYS 53 1HZ LYS 53 13.386 -8.014 0.458 429 2HZ LYS 53 3HZ LYS 53 12.677 -9.522 0.142 430 3HZ LYS 53 2HZ LYS 53 11.695 -8.177 0.480 431 H SER 54 H SER 54 17.167 -9.539 7.102 432 HA SER 54 HA SER 54 19.724 -8.399 6.572 433 1HB SER 54 2HB SER 54 18.710 -9.460 9.225 434 2HB SER 54 1HB SER 54 19.968 -8.248 8.988 435 HG SER 54 HG SER 54 17.266 -7.976 8.974 436 H GLN 55 H GLN 55 18.741 -11.663 7.378 437 HA GLN 55 HA GLN 55 20.015 -13.614 7.736 438 1HB GLN 55 2HB GLN 55 21.669 -12.181 5.634 439 2HB GLN 55 1HB GLN 55 21.845 -13.883 6.060 440 1HG GLN 55 2HG GLN 55 19.524 -14.314 5.397 441 2HG GLN 55 1HG GLN 55 19.291 -12.604 5.037 442 1HE2 GLN 55 1HE2 GLN 55 18.943 -14.590 3.007 443 2HE2 GLN 55 2HE2 GLN 55 20.180 -14.410 1.859 No H/Q in entry = 443 Start of MODEL 28 1 H1 LYS 1 3H LYS 1 -1.901 -10.445 10.257 2 H2 LYS 1 2H LYS 1 -1.447 -10.622 11.885 3 H3 LYS 1 1H LYS 1 -3.085 -10.437 11.471 4 HA LYS 1 HA LYS 1 -2.409 -8.353 12.290 5 1HB LYS 1 2HB LYS 1 -0.039 -8.701 10.429 6 2HB LYS 1 1HB LYS 1 -0.398 -7.223 11.321 7 1HG LYS 1 2HG LYS 1 -0.310 -8.550 13.446 8 2HG LYS 1 1HG LYS 1 0.202 -9.951 12.504 9 1HD LYS 1 2HD LYS 1 2.143 -8.606 11.662 10 2HD LYS 1 1HD LYS 1 1.660 -7.302 12.747 11 1HE LYS 1 2HE LYS 1 1.686 -9.377 14.493 12 2HE LYS 1 1HE LYS 1 2.937 -9.909 13.369 13 1HZ LYS 1 2HZ LYS 1 3.679 -7.416 13.634 14 2HZ LYS 1 1HZ LYS 1 2.887 -7.575 15.129 15 3HZ LYS 1 3HZ LYS 1 4.173 -8.609 14.738 16 H ASN 2 H ASN 2 -3.815 -9.608 9.850 17 HA ASN 2 HA ASN 2 -3.705 -7.412 7.889 18 1HB ASN 2 2HB ASN 2 -5.206 -8.751 6.570 19 2HB ASN 2 1HB ASN 2 -4.013 -9.852 7.259 20 1HD2 ASN 2 1HD2 ASN 2 -6.545 -10.858 6.476 21 2HD2 ASN 2 2HD2 ASN 2 -7.425 -11.288 7.862 22 H GLU 3 H GLU 3 -5.002 -7.558 10.842 23 HA GLU 3 HA GLU 3 -7.755 -6.866 10.475 24 1HB GLU 3 2HB GLU 3 -6.682 -7.525 12.658 25 2HB GLU 3 1HB GLU 3 -5.924 -5.933 12.703 26 1HG GLU 3 2HG GLU 3 -8.191 -4.894 12.566 27 2HG GLU 3 1HG GLU 3 -8.903 -6.506 12.641 28 H ASP 4 H ASP 4 -4.796 -5.035 10.158 29 HA ASP 4 HA ASP 4 -5.864 -2.402 10.412 30 1HB ASP 4 2HB ASP 4 -3.402 -3.097 10.237 31 2HB ASP 4 1HB ASP 4 -3.659 -3.185 8.495 32 H GLN 5 H GLN 5 -5.998 -4.742 7.809 33 HA GLN 5 HA GLN 5 -6.672 -2.976 5.671 34 1HB GLN 5 2HB GLN 5 -7.602 -5.830 6.117 35 2HB GLN 5 1HB GLN 5 -7.618 -4.964 4.581 36 1HG GLN 5 2HG GLN 5 -5.111 -4.656 4.856 37 2HG GLN 5 1HG GLN 5 -5.200 -5.782 6.211 38 1HE2 GLN 5 1HE2 GLN 5 -7.438 -7.305 4.790 39 2HE2 GLN 5 2HE2 GLN 5 -6.642 -8.219 3.602 40 H GLU 6 H GLU 6 -8.626 -4.436 8.232 41 HA GLU 6 HA GLU 6 -11.191 -3.771 7.157 42 1HB GLU 6 2HB GLU 6 -10.294 -4.039 10.043 43 2HB GLU 6 1HB GLU 6 -11.976 -3.966 9.515 44 1HG GLU 6 2HG GLU 6 -11.589 -5.981 8.104 45 2HG GLU 6 1HG GLU 6 -9.941 -6.073 8.724 46 H MET 7 H MET 7 -8.787 -1.881 8.876 47 HA MET 7 HA MET 7 -10.502 0.307 9.613 48 1HB MET 7 2HB MET 7 -7.520 0.226 9.064 49 2HB MET 7 1HB MET 7 -8.367 1.590 9.793 50 1HG MET 7 2HG MET 7 -9.134 0.120 11.628 51 2HG MET 7 1HG MET 7 -8.253 -1.226 10.908 52 1HE MET 7 3HE MET 7 -8.019 -0.480 13.727 53 2HE MET 7 2HE MET 7 -6.784 -1.617 13.194 54 3HE MET 7 1HE MET 7 -6.323 -0.214 14.154 55 H CYS 8 H CYS 8 -8.985 -0.638 6.625 56 HA CYS 8 HA CYS 8 -9.186 1.976 5.368 57 1HB CYS 8 2HB CYS 8 -8.844 -0.793 4.183 58 2HB CYS 8 1HB CYS 8 -8.705 0.714 3.275 59 H HIS 9 H HIS 9 -11.318 -0.758 5.798 60 HA HIS 9 HA HIS 9 -13.159 -0.503 3.737 61 1HB HIS 9 2HB HIS 9 -13.663 -2.167 5.327 62 2HB HIS 9 1HB HIS 9 -13.507 -1.052 6.682 63 HD1 HIS 9 HD1 HIS 9 -15.403 0.993 6.576 64 HD2 HIS 9 HD2 HIS 9 -16.305 -2.580 4.629 65 HE1 HIS 9 HE1 HIS 9 -17.910 0.975 6.244 66 H GLU 10 H GLU 10 -12.929 1.526 6.658 67 HA GLU 10 HA GLU 10 -15.120 3.253 5.856 68 1HB GLU 10 2HB GLU 10 -12.911 3.644 7.896 69 2HB GLU 10 1HB GLU 10 -14.309 4.703 7.714 70 1HG GLU 10 2HG GLU 10 -14.490 1.728 8.274 71 2HG GLU 10 1HG GLU 10 -14.593 2.976 9.516 72 H PHE 11 H PHE 11 -11.567 3.423 5.620 73 HA PHE 11 HA PHE 11 -11.595 6.100 4.502 74 1HB PHE 11 2HB PHE 11 -9.610 4.236 5.363 75 2HB PHE 11 1HB PHE 11 -9.240 4.686 3.698 76 HD1 PHE 11 HD1 PHE 11 -10.307 7.421 3.547 77 HD2 PHE 11 HD2 PHE 11 -8.097 5.506 6.693 78 HE1 PHE 11 HE1 PHE 11 -9.495 9.625 4.324 79 HE2 PHE 11 HE2 PHE 11 -7.291 7.713 7.471 80 HZ PHE 11 HZ PHE 11 -7.989 9.775 6.287 81 H GLN 12 H GLN 12 -12.283 2.992 3.256 82 HA GLN 12 HA GLN 12 -11.540 3.590 0.489 83 1HB GLN 12 2HB GLN 12 -11.588 1.259 1.239 84 2HB GLN 12 1HB GLN 12 -13.291 1.411 1.675 85 1HG GLN 12 2HG GLN 12 -13.785 1.976 -0.724 86 2HG GLN 12 1HG GLN 12 -12.100 1.623 -1.106 87 1HE2 GLN 12 1HE2 GLN 12 -13.816 0.004 -2.432 88 2HE2 GLN 12 2HE2 GLN 12 -13.915 -1.536 -1.724 89 H ALA 13 H ALA 13 -14.476 3.682 2.471 90 HA ALA 13 HA ALA 13 -16.276 4.285 0.306 91 1HB ALA 13 3HB ALA 13 -17.888 4.498 1.939 92 2HB ALA 13 2HB ALA 13 -16.676 3.630 2.882 93 3HB ALA 13 1HB ALA 13 -16.818 5.382 3.026 94 H PHE 14 H PHE 14 -13.963 6.144 2.094 95 HA PHE 14 HA PHE 14 -15.135 8.738 1.406 96 1HB PHE 14 2HB PHE 14 -12.354 8.081 2.426 97 2HB PHE 14 1HB PHE 14 -13.109 9.674 2.406 98 HD1 PHE 14 HD1 PHE 14 -15.943 8.538 3.107 99 HD2 PHE 14 HD2 PHE 14 -12.048 8.059 4.855 100 HE1 PHE 14 HE1 PHE 14 -16.987 8.070 5.307 101 HE2 PHE 14 HE2 PHE 14 -13.093 7.592 7.055 102 HZ PHE 14 HZ PHE 14 -15.562 7.597 7.281 103 H MET 15 H MET 15 -13.756 6.452 -0.477 104 HA MET 15 HA MET 15 -11.888 8.128 -1.977 105 1HB MET 15 2HB MET 15 -12.615 5.338 -1.903 106 2HB MET 15 1HB MET 15 -12.682 5.924 -3.564 107 1HG MET 15 2HG MET 15 -10.387 7.053 -2.967 108 2HG MET 15 1HG MET 15 -10.345 5.854 -1.674 109 1HE MET 15 1HE MET 15 -11.508 6.341 -5.162 110 2HE MET 15 3HE MET 15 -9.797 6.381 -5.608 111 3HE MET 15 2HE MET 15 -10.819 5.049 -6.142 112 H LYS 16 H LYS 16 -12.472 9.537 -3.563 113 HA LYS 16 HA LYS 16 -15.107 9.110 -4.908 114 1HB LYS 16 2HB LYS 16 -15.222 10.916 -3.155 115 2HB LYS 16 1HB LYS 16 -14.009 11.808 -4.072 116 1HG LYS 16 2HG LYS 16 -15.519 11.758 -6.055 117 2HG LYS 16 1HG LYS 16 -16.744 10.956 -5.071 118 1HD LYS 16 2HD LYS 16 -16.673 12.905 -3.495 119 2HD LYS 16 1HD LYS 16 -15.571 13.715 -4.609 120 1HE LYS 16 2HE LYS 16 -17.686 12.852 -6.225 121 2HE LYS 16 1HE LYS 16 -18.467 13.440 -4.757 122 1HZ LYS 16 2HZ LYS 16 -17.023 15.458 -4.980 123 2HZ LYS 16 1HZ LYS 16 -16.599 14.905 -6.530 124 3HZ LYS 16 3HZ LYS 16 -18.214 15.286 -6.179 125 H ASN 17 H ASN 17 -15.084 9.472 -7.111 126 HA ASN 17 HA ASN 17 -14.120 9.688 -9.242 127 1HB ASN 17 2HB ASN 17 -12.695 11.979 -7.854 128 2HB ASN 17 1HB ASN 17 -12.881 11.781 -9.597 129 1HD2 ASN 17 1HD2 ASN 17 -15.633 10.821 -9.550 130 2HD2 ASN 17 2HD2 ASN 17 -16.615 12.119 -9.068 131 H GLY 18 H GLY 18 -12.779 7.852 -7.424 132 1HA GLY 18 1HA GLY 18 -10.300 7.530 -8.886 133 2HA GLY 18 2HA GLY 18 -10.826 6.539 -7.526 134 H LYS 19 H LYS 19 -11.212 9.264 -6.080 135 HA LYS 19 HA LYS 19 -8.327 9.670 -5.396 136 1HB LYS 19 2HB LYS 19 -9.574 11.629 -6.439 137 2HB LYS 19 1HB LYS 19 -10.575 11.653 -4.988 138 1HG LYS 19 2HG LYS 19 -8.077 11.576 -3.888 139 2HG LYS 19 1HG LYS 19 -7.764 12.499 -5.357 140 1HD LYS 19 2HD LYS 19 -9.874 13.863 -4.685 141 2HD LYS 19 1HD LYS 19 -9.642 13.150 -3.089 142 1HE LYS 19 2HE LYS 19 -8.249 14.919 -2.750 143 2HE LYS 19 1HE LYS 19 -7.097 13.965 -3.685 144 1HZ LYS 19 3HZ LYS 19 -8.273 15.068 -5.688 145 2HZ LYS 19 2HZ LYS 19 -8.768 16.227 -4.548 146 3HZ LYS 19 1HZ LYS 19 -7.114 15.947 -4.817 147 H LEU 20 H LEU 20 -7.833 9.858 -3.134 148 HA LEU 20 HA LEU 20 -9.876 8.577 -1.398 149 1HB LEU 20 2HB LEU 20 -7.739 7.486 -1.287 150 2HB LEU 20 1HB LEU 20 -6.895 9.021 -1.085 151 HG LEU 20 HG LEU 20 -8.212 9.327 1.073 152 1HD1 LEU 20 1HD1 LEU 20 -9.618 7.135 0.091 153 2HD1 LEU 20 3HD1 LEU 20 -8.624 6.456 1.381 154 3HD1 LEU 20 2HD1 LEU 20 -9.728 7.790 1.725 155 1HD2 LEU 20 1HD2 LEU 20 -5.848 8.556 1.011 156 2HD2 LEU 20 3HD2 LEU 20 -6.746 7.864 2.362 157 3HD2 LEU 20 2HD2 LEU 20 -6.419 6.889 0.928 158 H PHE 21 H PHE 21 -11.113 9.922 -0.187 159 HA PHE 21 HA PHE 21 -10.282 12.697 0.273 160 1HB PHE 21 2HB PHE 21 -12.728 11.070 0.958 161 2HB PHE 21 1HB PHE 21 -12.471 12.653 1.688 162 HD1 PHE 21 HD1 PHE 21 -11.184 11.922 -1.671 163 HD2 PHE 21 HD2 PHE 21 -14.445 13.605 0.562 164 HE1 PHE 21 HE1 PHE 21 -12.031 13.013 -3.730 165 HE2 PHE 21 HE2 PHE 21 -15.290 14.697 -1.498 166 HZ PHE 21 HZ PHE 21 -14.084 14.401 -3.644 167 H CYS 22 H CYS 22 -8.981 13.227 1.959 168 HA CYS 22 HA CYS 22 -8.839 11.352 4.270 169 1HB CYS 22 2HB CYS 22 -6.772 12.155 2.865 170 2HB CYS 22 1HB CYS 22 -6.923 13.623 3.830 171 HA PRO 23 HA PRO 23 -11.176 15.098 5.858 172 1HB PRO 23 2HB PRO 23 -13.086 13.688 7.145 173 2HB PRO 23 1HB PRO 23 -13.217 14.143 5.444 174 1HG PRO 23 2HG PRO 23 -12.394 11.531 6.652 175 2HG PRO 23 1HG PRO 23 -13.450 11.833 5.269 176 1HD PRO 23 1HD PRO 23 -10.859 11.093 4.979 177 2HD PRO 23 2HD PRO 23 -11.681 12.138 3.821 178 H GLN 24 H GLN 24 -11.624 15.575 8.212 179 HA GLN 24 HA GLN 24 -9.482 14.410 9.865 180 1HB GLN 24 2HB GLN 24 -11.460 16.655 10.352 181 2HB GLN 24 1HB GLN 24 -10.247 16.146 11.528 182 1HG GLN 24 2HG GLN 24 -8.466 16.597 9.861 183 2HG GLN 24 1HG GLN 24 -9.690 17.148 8.717 184 1HE2 GLN 24 1HE2 GLN 24 -7.705 18.970 9.496 185 2HE2 GLN 24 2HE2 GLN 24 -8.379 20.155 10.507 186 H ASP 25 H ASP 25 -9.842 12.782 11.292 187 HA ASP 25 HA ASP 25 -12.578 11.802 11.698 188 1HB ASP 25 2HB ASP 25 -10.619 10.266 11.380 189 2HB ASP 25 1HB ASP 25 -9.989 10.817 12.933 190 H LYS 26 H LYS 26 -13.846 12.509 13.341 191 HA LYS 26 HA LYS 26 -13.049 14.394 15.291 192 1HB LYS 26 2HB LYS 26 -15.290 12.356 15.464 193 2HB LYS 26 1HB LYS 26 -15.140 13.797 16.469 194 1HG LYS 26 2HG LYS 26 -15.229 15.208 14.429 195 2HG LYS 26 1HG LYS 26 -15.429 13.756 13.449 196 1HD LYS 26 2HD LYS 26 -17.500 13.217 14.722 197 2HD LYS 26 1HD LYS 26 -17.314 14.723 15.621 198 1HE LYS 26 2HE LYS 26 -18.517 15.702 13.977 199 2HE LYS 26 1HE LYS 26 -17.091 15.509 12.958 200 1HZ LYS 26 2HZ LYS 26 -19.025 13.306 13.295 201 2HZ LYS 26 1HZ LYS 26 -19.296 14.533 12.152 202 3HZ LYS 26 3HZ LYS 26 -17.910 13.562 12.039 203 H LYS 27 H LYS 27 -12.905 10.881 15.318 204 HA LYS 27 HA LYS 27 -11.729 11.016 18.065 205 1HB LYS 27 2HB LYS 27 -13.570 9.130 16.753 206 2HB LYS 27 1HB LYS 27 -12.235 8.350 17.602 207 1HG LYS 27 2HG LYS 27 -12.834 9.315 19.673 208 2HG LYS 27 1HG LYS 27 -13.829 10.554 18.907 209 1HD LYS 27 2HD LYS 27 -15.639 9.188 18.791 210 2HD LYS 27 1HD LYS 27 -14.671 7.804 18.284 211 1HE LYS 27 2HE LYS 27 -13.882 8.240 20.922 212 2HE LYS 27 1HE LYS 27 -15.623 8.520 20.950 213 1HZ LYS 27 3HZ LYS 27 -15.675 6.361 19.544 214 2HZ LYS 27 2HZ LYS 27 -14.144 6.085 20.228 215 3HZ LYS 27 1HZ LYS 27 -15.506 6.261 21.229 216 HA PRO 28 HA PRO 28 -7.931 10.072 15.823 217 1HB PRO 28 2HB PRO 28 -6.333 10.045 18.002 218 2HB PRO 28 1HB PRO 28 -6.888 11.537 17.238 219 1HG PRO 28 2HG PRO 28 -7.950 10.140 19.666 220 2HG PRO 28 1HG PRO 28 -7.659 11.864 19.415 221 1HD PRO 28 1HD PRO 28 -10.130 10.787 19.225 222 2HD PRO 28 2HD PRO 28 -9.625 12.153 18.229 223 H ILE 29 H ILE 29 -7.012 8.111 15.341 224 HA ILE 29 HA ILE 29 -7.503 5.872 17.265 225 HB ILE 29 HB ILE 29 -8.800 5.471 15.291 226 1HG1 ILE 29 2HG1 ILE 29 -7.086 3.669 16.224 227 2HG1 ILE 29 1HG1 ILE 29 -8.061 3.338 14.798 228 1HG2 ILE 29 2HG2 ILE 29 -6.560 6.814 14.011 229 2HG2 ILE 29 1HG2 ILE 29 -7.029 5.363 13.129 230 3HG2 ILE 29 3HG2 ILE 29 -8.218 6.624 13.449 231 1HD1 ILE 29 1HD1 ILE 29 -6.111 4.205 13.404 232 2HD1 ILE 29 3HD1 ILE 29 -5.156 4.194 14.886 233 3HD1 ILE 29 2HD1 ILE 29 -5.818 2.690 14.255 234 H GLN 30 H GLN 30 -5.693 4.828 17.988 235 HA GLN 30 HA GLN 30 -3.073 5.778 17.087 236 1HB GLN 30 2HB GLN 30 -3.849 3.612 19.068 237 2HB GLN 30 1HB GLN 30 -2.204 4.187 18.797 238 1HG GLN 30 2HG GLN 30 -2.903 6.471 19.446 239 2HG GLN 30 1HG GLN 30 -4.540 5.881 19.738 240 1HE2 GLN 30 1HE2 GLN 30 -2.913 7.052 21.827 241 2HE2 GLN 30 2HE2 GLN 30 -2.578 5.838 22.966 242 H SER 31 H SER 31 -1.926 4.842 15.456 243 HA SER 31 HA SER 31 -2.910 2.257 14.388 244 1HB SER 31 2HB SER 31 -2.145 4.569 13.126 245 2HB SER 31 1HB SER 31 -0.684 3.584 12.992 246 HG SER 31 HG SER 31 -3.243 2.548 12.414 247 H LEU 32 H LEU 32 -0.727 1.140 13.249 248 HA LEU 32 HA LEU 32 1.277 0.846 15.442 249 1HB LEU 32 2HB LEU 32 1.223 -1.641 15.002 250 2HB LEU 32 1HB LEU 32 -0.245 -1.003 15.741 251 HG LEU 32 HG LEU 32 -0.794 -0.698 13.066 252 1HD1 LEU 32 1HD1 LEU 32 1.421 -2.096 12.800 253 2HD1 LEU 32 3HD1 LEU 32 0.384 -3.455 13.235 254 3HD1 LEU 32 2HD1 LEU 32 0.016 -2.487 11.807 255 1HD2 LEU 32 3HD2 LEU 32 -1.808 -2.084 15.244 256 2HD2 LEU 32 2HD2 LEU 32 -2.554 -1.994 13.648 257 3HD2 LEU 32 1HD2 LEU 32 -1.513 -3.357 14.059 258 H ASP 33 H ASP 33 0.774 1.512 12.228 259 HA ASP 33 HA ASP 33 3.101 0.049 11.183 260 1HB ASP 33 2HB ASP 33 1.219 2.090 9.983 261 2HB ASP 33 1HB ASP 33 2.605 1.440 9.108 262 H GLY 34 H GLY 34 2.972 2.500 13.250 263 1HA GLY 34 1HA GLY 34 5.443 3.737 12.136 264 2HA GLY 34 2HA GLY 34 4.995 3.730 13.841 265 H ILE 35 H ILE 35 2.262 4.358 12.015 266 HA ILE 35 HA ILE 35 2.714 7.309 12.138 267 HB ILE 35 HB ILE 35 0.715 5.702 10.517 268 1HG1 ILE 35 2HG1 ILE 35 2.769 7.432 9.253 269 2HG1 ILE 35 1HG1 ILE 35 3.366 5.959 10.017 270 1HG2 ILE 35 2HG2 ILE 35 0.102 8.093 11.356 271 2HG2 ILE 35 1HG2 ILE 35 1.318 8.636 10.201 272 3HG2 ILE 35 3HG2 ILE 35 -0.088 7.732 9.641 273 1HD1 ILE 35 3HD1 ILE 35 0.946 5.768 8.264 274 2HD1 ILE 35 2HD1 ILE 35 2.524 5.941 7.495 275 3HD1 ILE 35 1HD1 ILE 35 2.208 4.573 8.563 276 H MET 36 H MET 36 1.029 8.613 13.079 277 HA MET 36 HA MET 36 -0.619 7.097 15.044 278 1HB MET 36 2HB MET 36 0.227 10.006 14.945 279 2HB MET 36 1HB MET 36 -0.833 9.324 16.178 280 1HG MET 36 2HG MET 36 0.970 7.678 16.742 281 2HG MET 36 1HG MET 36 2.030 8.505 15.600 282 1HE MET 36 3HE MET 36 -0.624 9.139 18.022 283 2HE MET 36 2HE MET 36 0.430 8.925 19.417 284 3HE MET 36 1HE MET 36 -0.155 10.534 19.004 285 H PHE 37 H PHE 37 -2.687 6.769 14.417 286 HA PHE 37 HA PHE 37 -4.820 7.186 13.552 287 1HB PHE 37 2HB PHE 37 -4.910 9.115 14.962 288 2HB PHE 37 1HB PHE 37 -3.826 10.016 13.904 289 HD1 PHE 37 HD1 PHE 37 -6.383 7.826 12.460 290 HD2 PHE 37 HD2 PHE 37 -5.477 11.848 13.666 291 HE1 PHE 37 HE1 PHE 37 -8.330 8.650 11.168 292 HE2 PHE 37 HE2 PHE 37 -7.425 12.674 12.372 293 HZ PHE 37 HZ PHE 37 -8.852 11.075 11.123 294 H ILE 38 H ILE 38 -3.013 9.834 12.002 295 HA ILE 38 HA ILE 38 -4.124 9.761 9.488 296 HB ILE 38 HB ILE 38 -1.159 10.010 10.086 297 1HG1 ILE 38 1HG1 ILE 38 -3.319 12.124 9.816 298 2HG1 ILE 38 2HG1 ILE 38 -2.622 11.583 11.344 299 1HG2 ILE 38 1HG2 ILE 38 -2.850 10.618 7.664 300 2HG2 ILE 38 3HG2 ILE 38 -1.345 11.487 7.962 301 3HG2 ILE 38 2HG2 ILE 38 -1.325 9.737 7.747 302 1HD1 ILE 38 3HD1 ILE 38 -0.463 12.212 9.589 303 2HD1 ILE 38 2HD1 ILE 38 -1.606 13.554 9.530 304 3HD1 ILE 38 1HD1 ILE 38 -0.929 13.040 11.075 305 H ASN 39 H ASN 39 -1.993 7.375 10.892 306 HA ASN 39 HA ASN 39 -1.007 5.954 8.740 307 1HB ASN 39 2HB ASN 39 -0.951 5.399 11.283 308 2HB ASN 39 1HB ASN 39 -2.425 4.493 10.952 309 1HD2 ASN 39 1HD2 ASN 39 -1.999 2.330 10.488 310 2HD2 ASN 39 2HD2 ASN 39 -0.603 1.754 9.713 311 H LYS 40 H LYS 40 -4.355 5.745 10.007 312 HA LYS 40 HA LYS 40 -5.223 3.723 8.215 313 1HB LYS 40 2HB LYS 40 -6.764 6.011 9.473 314 2HB LYS 40 1HB LYS 40 -7.527 4.704 8.570 315 1HG LYS 40 2HG LYS 40 -6.276 3.122 10.192 316 2HG LYS 40 1HG LYS 40 -6.053 4.557 11.195 317 1HD LYS 40 2HD LYS 40 -8.553 4.937 11.033 318 2HD LYS 40 1HD LYS 40 -8.678 3.355 10.267 319 1HE LYS 40 2HE LYS 40 -7.132 2.842 12.511 320 2HE LYS 40 1HE LYS 40 -8.296 4.034 13.090 321 1HZ LYS 40 1HZ LYS 40 -9.396 1.952 11.412 322 2HZ LYS 40 3HZ LYS 40 -8.804 1.424 12.912 323 3HZ LYS 40 2HZ LYS 40 -10.000 2.629 12.848 324 H CYS 41 H CYS 41 -4.891 7.193 7.779 325 HA CYS 41 HA CYS 41 -6.191 7.149 5.150 326 1HB CYS 41 2HB CYS 41 -6.133 9.117 6.785 327 2HB CYS 41 1HB CYS 41 -4.460 9.333 6.304 328 H ALA 42 H ALA 42 -2.890 7.599 6.388 329 HA ALA 42 HA ALA 42 -1.749 7.580 3.701 330 1HB ALA 42 1HB ALA 42 -0.101 7.148 6.166 331 2HB ALA 42 3HB ALA 42 0.275 8.084 4.720 332 3HB ALA 42 2HB ALA 42 -0.863 8.717 5.909 333 H THR 43 H THR 43 -2.684 5.119 5.936 334 HA THR 43 HA THR 43 -0.775 3.207 4.665 335 HB THR 43 HB THR 43 -2.634 2.616 6.972 336 HG1 THR 43 HG1 THR 43 0.061 3.358 7.262 337 1HG2 THR 43 1HG2 THR 43 -0.841 1.077 5.438 338 2HG2 THR 43 3HG2 THR 43 -0.029 1.361 6.978 339 3HG2 THR 43 2HG2 THR 43 -1.623 0.607 6.947 340 H CYS 44 H CYS 44 -3.961 4.299 4.416 341 HA CYS 44 HA CYS 44 -4.951 1.689 3.404 342 1HB CYS 44 2HB CYS 44 -6.286 4.305 4.087 343 2HB CYS 44 1HB CYS 44 -7.119 3.069 3.145 344 H LYS 45 H LYS 45 -3.900 4.841 2.303 345 HA LYS 45 HA LYS 45 -5.097 4.932 -0.247 346 1HB LYS 45 2HB LYS 45 -2.397 5.830 0.758 347 2HB LYS 45 1HB LYS 45 -2.854 6.045 -0.931 348 1HG LYS 45 2HG LYS 45 -4.917 7.243 -0.159 349 2HG LYS 45 1HG LYS 45 -4.311 7.134 1.494 350 1HD LYS 45 2HD LYS 45 -2.135 8.198 0.424 351 2HD LYS 45 1HD LYS 45 -3.271 8.752 -0.806 352 1HE LYS 45 2HE LYS 45 -4.588 9.928 0.821 353 2HE LYS 45 1HE LYS 45 -3.722 9.171 2.159 354 1HZ LYS 45 3HZ LYS 45 -1.689 10.270 0.926 355 2HZ LYS 45 2HZ LYS 45 -2.891 11.346 0.394 356 3HZ LYS 45 1HZ LYS 45 -2.614 11.130 2.057 357 H MET 46 H MET 46 -2.221 3.152 0.832 358 HA MET 46 HA MET 46 -1.746 2.014 -1.818 359 1HB MET 46 2HB MET 46 -0.628 1.408 0.933 360 2HB MET 46 1HB MET 46 -0.151 0.517 -0.512 361 1HG MET 46 2HG MET 46 0.516 2.680 -1.572 362 2HG MET 46 1HG MET 46 0.143 3.501 -0.057 363 1HE MET 46 3HE MET 46 2.067 1.196 -2.063 364 2HE MET 46 2HE MET 46 3.600 0.883 -1.253 365 3HE MET 46 1HE MET 46 2.173 -0.053 -0.815 366 H ILE 47 H ILE 47 -3.188 0.959 1.248 367 HA ILE 47 HA ILE 47 -3.766 -1.727 0.383 368 HB ILE 47 HB ILE 47 -5.109 -0.014 2.499 369 1HG1 ILE 47 1HG1 ILE 47 -2.747 -0.314 2.973 370 2HG1 ILE 47 2HG1 ILE 47 -3.664 -1.380 4.037 371 1HG2 ILE 47 1HG2 ILE 47 -5.434 -2.850 1.622 372 2HG2 ILE 47 3HG2 ILE 47 -5.485 -2.519 3.354 373 3HG2 ILE 47 2HG2 ILE 47 -6.634 -1.731 2.271 374 1HD1 ILE 47 1HD1 ILE 47 -3.332 -3.070 1.987 375 2HD1 ILE 47 3HD1 ILE 47 -1.914 -2.058 1.715 376 3HD1 ILE 47 2HD1 ILE 47 -2.116 -2.899 3.252 377 H LEU 48 H LEU 48 -5.247 1.365 -0.177 378 HA LEU 48 HA LEU 48 -7.897 0.464 -0.829 379 1HB LEU 48 2HB LEU 48 -6.868 2.900 -0.524 380 2HB LEU 48 1HB LEU 48 -6.653 2.779 -2.269 381 HG LEU 48 HG LEU 48 -8.796 3.748 -2.015 382 1HD1 LEU 48 2HD1 LEU 48 -8.696 1.699 -3.506 383 2HD1 LEU 48 1HD1 LEU 48 -9.392 0.782 -2.169 384 3HD1 LEU 48 3HD1 LEU 48 -10.305 2.099 -2.906 385 1HD2 LEU 48 3HD2 LEU 48 -8.785 2.203 0.449 386 2HD2 LEU 48 2HD2 LEU 48 -9.729 3.634 0.033 387 3HD2 LEU 48 1HD2 LEU 48 -10.318 2.031 -0.407 388 H GLU 49 H GLU 49 -4.918 0.838 -2.721 389 HA GLU 49 HA GLU 49 -6.116 0.182 -5.261 390 1HB GLU 49 2HB GLU 49 -3.244 -0.119 -4.325 391 2HB GLU 49 1HB GLU 49 -3.784 -0.197 -6.003 392 1HG GLU 49 2HG GLU 49 -4.115 2.189 -4.156 393 2HG GLU 49 1HG GLU 49 -2.923 2.054 -5.450 394 H LYS 50 H LYS 50 -4.628 -1.733 -2.680 395 HA LYS 50 HA LYS 50 -4.479 -4.220 -4.051 396 1HB LYS 50 2HB LYS 50 -4.995 -3.629 -1.121 397 2HB LYS 50 1HB LYS 50 -4.620 -5.230 -1.759 398 1HG LYS 50 2HG LYS 50 -2.501 -4.258 -2.725 399 2HG LYS 50 1HG LYS 50 -2.860 -2.763 -1.861 400 1HD LYS 50 2HD LYS 50 -2.961 -4.120 0.268 401 2HD LYS 50 1HD LYS 50 -2.369 -5.501 -0.656 402 1HE LYS 50 2HE LYS 50 -0.522 -4.296 0.487 403 2HE LYS 50 1HE LYS 50 -0.347 -4.248 -1.268 404 1HZ LYS 50 1HZ LYS 50 -1.925 -2.081 -0.305 405 2HZ LYS 50 3HZ LYS 50 -0.395 -2.095 0.426 406 3HZ LYS 50 2HZ LYS 50 -0.525 -2.051 -1.267 407 H GLU 51 H GLU 51 -7.159 -2.633 -2.360 408 HA GLU 51 HA GLU 51 -8.994 -4.805 -2.384 409 1HB GLU 51 2HB GLU 51 -9.537 -1.830 -2.642 410 2HB GLU 51 1HB GLU 51 -10.751 -3.051 -2.262 411 1HG GLU 51 2HG GLU 51 -9.497 -3.674 -0.231 412 2HG GLU 51 1HG GLU 51 -8.271 -2.465 -0.614 413 H ALA 52 H ALA 52 -8.083 -2.485 -4.886 414 HA ALA 52 HA ALA 52 -10.180 -3.079 -6.735 415 1HB ALA 52 2HB ALA 52 -9.029 -1.238 -7.479 416 2HB ALA 52 3HB ALA 52 -8.135 -2.456 -8.389 417 3HB ALA 52 1HB ALA 52 -7.483 -1.834 -6.873 418 H LYS 53 H LYS 53 -7.208 -4.742 -5.912 419 HA LYS 53 HA LYS 53 -7.012 -6.429 -8.209 420 1HB LYS 53 2HB LYS 53 -6.244 -7.065 -5.342 421 2HB LYS 53 1HB LYS 53 -5.653 -7.893 -6.782 422 1HG LYS 53 2HG LYS 53 -5.278 -4.933 -6.238 423 2HG LYS 53 1HG LYS 53 -4.057 -6.165 -5.917 424 1HD LYS 53 2HD LYS 53 -4.217 -6.831 -8.349 425 2HD LYS 53 1HD LYS 53 -5.246 -5.422 -8.604 426 1HE LYS 53 2HE LYS 53 -3.323 -4.085 -7.481 427 2HE LYS 53 1HE LYS 53 -2.338 -5.510 -7.812 428 1HZ LYS 53 3HZ LYS 53 -3.545 -5.166 -10.161 429 2HZ LYS 53 2HZ LYS 53 -3.441 -3.551 -9.643 430 3HZ LYS 53 1HZ LYS 53 -2.035 -4.497 -9.776 431 H SER 54 H SER 54 -9.000 -6.594 -5.309 432 HA SER 54 HA SER 54 -9.859 -9.303 -5.545 433 1HB SER 54 2HB SER 54 -10.284 -7.816 -3.568 434 2HB SER 54 1HB SER 54 -11.484 -6.952 -4.529 435 HG SER 54 HG SER 54 -12.642 -8.474 -3.519 436 H GLN 55 H GLN 55 -10.769 -6.400 -7.277 437 HA GLN 55 HA GLN 55 -12.327 -6.058 -9.006 438 1HB GLN 55 2HB GLN 55 -11.603 -8.963 -9.495 439 2HB GLN 55 1HB GLN 55 -12.414 -7.913 -10.656 440 1HG GLN 55 2HG GLN 55 -10.491 -6.408 -10.693 441 2HG GLN 55 1HG GLN 55 -9.689 -7.359 -9.443 442 1HE2 GLN 55 1HE2 GLN 55 -8.464 -6.975 -11.997 443 2HE2 GLN 55 2HE2 GLN 55 -8.430 -8.465 -12.810 No H/Q in entry = 443 Start of MODEL 29 1 H1 LYS 1 2H LYS 1 18.528 -0.279 1.498 2 H2 LYS 1 1H LYS 1 19.090 0.240 -0.019 3 H3 LYS 1 3H LYS 1 20.130 0.260 1.321 4 HA LYS 1 HA LYS 1 19.451 2.486 0.954 5 1HB LYS 1 2HB LYS 1 16.662 1.297 0.934 6 2HB LYS 1 1HB LYS 1 16.997 3.028 0.982 7 1HG LYS 1 2HG LYS 1 18.310 2.786 -1.133 8 2HG LYS 1 1HG LYS 1 17.831 1.090 -1.198 9 1HD LYS 1 2HD LYS 1 15.435 1.822 -1.181 10 2HD LYS 1 1HD LYS 1 15.986 3.495 -1.271 11 1HE LYS 1 2HE LYS 1 17.327 2.713 -3.354 12 2HE LYS 1 1HE LYS 1 16.259 1.310 -3.332 13 1HZ LYS 1 1HZ LYS 1 14.419 3.099 -3.146 14 2HZ LYS 1 3HZ LYS 1 15.597 4.140 -3.783 15 3HZ LYS 1 2HZ LYS 1 15.113 2.768 -4.661 16 H ASN 2 H ASN 2 17.399 0.354 2.977 17 HA ASN 2 HA ASN 2 17.117 2.073 5.187 18 1HB ASN 2 2HB ASN 2 17.453 -0.943 5.202 19 2HB ASN 2 1HB ASN 2 16.815 0.016 6.538 20 1HD2 ASN 2 1HD2 ASN 2 15.266 -2.027 5.175 21 2HD2 ASN 2 2HD2 ASN 2 13.973 -1.254 4.392 22 H GLU 3 H GLU 3 19.896 0.245 4.120 23 HA GLU 3 HA GLU 3 21.410 0.148 6.505 24 1HB GLU 3 2HB GLU 3 22.337 0.575 3.648 25 2HB GLU 3 1HB GLU 3 23.406 0.176 4.993 26 1HG GLU 3 2HG GLU 3 22.063 -1.892 5.393 27 2HG GLU 3 1HG GLU 3 21.102 -1.508 3.965 28 H ASP 4 H ASP 4 20.614 2.840 4.432 29 HA ASP 4 HA ASP 4 22.682 4.636 5.293 30 1HB ASP 4 2HB ASP 4 21.300 6.392 4.358 31 2HB ASP 4 1HB ASP 4 21.178 4.986 3.301 32 H GLN 5 H GLN 5 19.716 3.543 6.752 33 HA GLN 5 HA GLN 5 19.426 5.722 8.630 34 1HB GLN 5 2HB GLN 5 17.588 4.133 8.032 35 2HB GLN 5 1HB GLN 5 18.457 2.860 8.889 36 1HG GLN 5 2HG GLN 5 18.369 4.223 10.963 37 2HG GLN 5 1HG GLN 5 17.448 5.453 10.098 38 1HE2 GLN 5 1HE2 GLN 5 16.128 4.406 12.245 39 2HE2 GLN 5 2HE2 GLN 5 14.933 3.301 11.762 40 H GLU 6 H GLU 6 21.320 2.774 8.557 41 HA GLU 6 HA GLU 6 21.921 2.710 11.385 42 1HB GLU 6 2HB GLU 6 22.217 0.741 9.900 43 2HB GLU 6 1HB GLU 6 23.513 1.589 9.057 44 1HG GLU 6 2HG GLU 6 24.691 1.809 11.287 45 2HG GLU 6 1HG GLU 6 23.467 0.735 11.964 46 H MET 7 H MET 7 23.060 4.608 8.731 47 HA MET 7 HA MET 7 25.656 5.275 9.809 48 1HB MET 7 2HB MET 7 23.866 6.761 7.863 49 2HB MET 7 1HB MET 7 25.540 7.192 8.210 50 1HG MET 7 2HG MET 7 26.263 4.946 7.458 51 2HG MET 7 1HG MET 7 24.588 4.539 7.085 52 1HE MET 7 3HE MET 7 26.818 4.206 5.001 53 2HE MET 7 2HE MET 7 25.112 3.913 4.674 54 3HE MET 7 1HE MET 7 26.062 4.887 3.555 55 H CYS 8 H CYS 8 22.420 6.309 10.503 56 HA CYS 8 HA CYS 8 23.050 8.883 11.625 57 1HB CYS 8 2HB CYS 8 20.738 6.988 11.783 58 2HB CYS 8 1HB CYS 8 20.842 8.279 12.981 59 H HIS 9 H HIS 9 22.998 5.598 12.945 60 HA HIS 9 HA HIS 9 23.109 6.027 15.677 61 1HB HIS 9 2HB HIS 9 23.281 3.775 14.976 62 2HB HIS 9 1HB HIS 9 24.643 4.117 13.912 63 HD1 HIS 9 HD1 HIS 9 26.863 5.056 15.327 64 HD2 HIS 9 HD2 HIS 9 24.100 2.718 17.395 65 HE1 HIS 9 HE1 HIS 9 28.050 4.208 17.392 66 H GLU 10 H GLU 10 25.846 6.334 13.400 67 HA GLU 10 HA GLU 10 27.672 7.269 15.446 68 1HB GLU 10 2HB GLU 10 27.760 7.376 12.420 69 2HB GLU 10 1HB GLU 10 29.074 7.947 13.449 70 1HG GLU 10 2HG GLU 10 29.133 5.673 14.521 71 2HG GLU 10 1HG GLU 10 27.950 5.133 13.329 72 H PHE 11 H PHE 11 25.538 8.847 13.086 73 HA PHE 11 HA PHE 11 26.522 11.508 13.818 74 1HB PHE 11 2HB PHE 11 24.827 10.397 11.748 75 2HB PHE 11 1HB PHE 11 24.061 11.798 12.496 76 HD1 PHE 11 HD1 PHE 11 26.292 13.472 13.286 77 HD2 PHE 11 HD2 PHE 11 25.792 11.123 9.724 78 HE1 PHE 11 HE1 PHE 11 27.857 14.968 12.081 79 HE2 PHE 11 HE2 PHE 11 27.359 12.619 8.519 80 HZ PHE 11 HZ PHE 11 28.392 14.542 9.697 81 H GLN 12 H GLN 12 24.682 9.332 15.438 82 HA GLN 12 HA GLN 12 22.598 11.148 16.407 83 1HB GLN 12 2HB GLN 12 22.311 8.647 16.305 84 2HB GLN 12 1HB GLN 12 23.509 8.510 17.593 85 1HG GLN 12 2HG GLN 12 22.097 9.922 19.052 86 2HG GLN 12 1HG GLN 12 20.897 10.046 17.765 87 1HE2 GLN 12 1HE2 GLN 12 20.007 8.928 20.135 88 2HE2 GLN 12 2HE2 GLN 12 19.813 7.250 19.968 89 H ALA 13 H ALA 13 25.877 10.381 17.175 90 HA ALA 13 HA ALA 13 25.725 11.425 19.919 91 1HB ALA 13 3HB ALA 13 27.444 9.693 18.657 92 2HB ALA 13 2HB ALA 13 28.379 11.189 18.656 93 3HB ALA 13 1HB ALA 13 27.795 10.516 20.178 94 H PHE 14 H PHE 14 26.518 12.564 16.706 95 HA PHE 14 HA PHE 14 27.680 15.076 17.719 96 1HB PHE 14 2HB PHE 14 26.973 14.207 14.897 97 2HB PHE 14 1HB PHE 14 27.864 15.668 15.323 98 HD1 PHE 14 HD1 PHE 14 30.060 15.414 16.619 99 HD2 PHE 14 HD2 PHE 14 28.079 12.131 14.682 100 HE1 PHE 14 HE1 PHE 14 32.169 14.109 16.673 101 HE2 PHE 14 HE2 PHE 14 30.187 10.827 14.735 102 HZ PHE 14 HZ PHE 14 32.232 11.816 15.731 103 H MET 15 H MET 15 24.716 14.077 17.980 104 HA MET 15 HA MET 15 23.220 16.145 16.559 105 1HB MET 15 2HB MET 15 22.610 13.848 18.322 106 2HB MET 15 1HB MET 15 21.486 15.203 18.436 107 1HG MET 15 2HG MET 15 21.095 15.145 16.039 108 2HG MET 15 1HG MET 15 22.333 13.905 15.830 109 1HE MET 15 2HE MET 15 19.253 15.116 17.167 110 2HE MET 15 1HE MET 15 18.341 14.080 16.071 111 3HE MET 15 3HE MET 15 18.303 13.780 17.814 112 H LYS 16 H LYS 16 22.386 18.040 17.452 113 HA LYS 16 HA LYS 16 23.305 18.675 20.228 114 1HB LYS 16 2HB LYS 16 23.010 20.558 17.872 115 2HB LYS 16 1HB LYS 16 23.514 21.022 19.497 116 1HG LYS 16 2HG LYS 16 25.376 19.260 19.227 117 2HG LYS 16 1HG LYS 16 24.976 19.277 17.510 118 1HD LYS 16 2HD LYS 16 25.408 21.688 17.409 119 2HD LYS 16 1HD LYS 16 25.739 21.719 19.141 120 1HE LYS 16 2HE LYS 16 27.279 19.852 17.355 121 2HE LYS 16 1HE LYS 16 27.746 21.550 17.462 122 1HZ LYS 16 1HZ LYS 16 27.683 21.197 19.957 123 2HZ LYS 16 3HZ LYS 16 27.650 19.535 19.624 124 3HZ LYS 16 2HZ LYS 16 28.970 20.475 19.115 125 H ASN 17 H ASN 17 21.692 19.203 21.623 126 HA ASN 17 HA ASN 17 19.520 19.638 22.400 127 1HB ASN 17 2HB ASN 17 20.127 21.831 21.254 128 2HB ASN 17 1HB ASN 17 19.223 21.250 19.854 129 1HD2 ASN 17 1HD2 ASN 17 18.800 21.705 23.410 130 2HD2 ASN 17 2HD2 ASN 17 17.158 22.122 23.310 131 H GLY 18 H GLY 18 19.903 17.266 20.788 132 1HA GLY 18 1HA GLY 18 17.131 16.669 20.202 133 2HA GLY 18 2HA GLY 18 18.498 15.591 19.917 134 H LYS 19 H LYS 19 19.820 17.852 18.352 135 HA LYS 19 HA LYS 19 18.260 17.437 15.834 136 1HB LYS 19 2HB LYS 19 18.047 19.781 16.701 137 2HB LYS 19 1HB LYS 19 19.799 19.942 16.578 138 1HG LYS 19 2HG LYS 19 19.279 19.033 14.096 139 2HG LYS 19 1HG LYS 19 17.745 19.839 14.424 140 1HD LYS 19 2HD LYS 19 19.187 21.840 15.202 141 2HD LYS 19 1HD LYS 19 20.519 21.030 14.376 142 1HE LYS 19 2HE LYS 19 19.495 22.589 12.821 143 2HE LYS 19 1HE LYS 19 19.096 20.950 12.305 144 1HZ LYS 19 3HZ LYS 19 17.326 22.587 14.029 145 2HZ LYS 19 2HZ LYS 19 17.196 22.548 12.336 146 3HZ LYS 19 1HZ LYS 19 16.948 21.133 13.242 147 H LEU 20 H LEU 20 19.551 17.188 13.936 148 HA LEU 20 HA LEU 20 22.239 16.140 14.468 149 1HB LEU 20 2HB LEU 20 20.571 15.122 12.827 150 2HB LEU 20 1HB LEU 20 20.884 16.503 11.780 151 HG LEU 20 HG LEU 20 22.255 14.350 11.369 152 1HD1 LEU 20 2HD1 LEU 20 22.911 17.130 11.208 153 2HD1 LEU 20 1HD1 LEU 20 24.376 16.221 11.587 154 3HD1 LEU 20 3HD1 LEU 20 23.430 15.812 10.156 155 1HD2 LEU 20 1HD2 LEU 20 22.769 14.397 13.994 156 2HD2 LEU 20 3HD2 LEU 20 23.921 13.737 12.832 157 3HD2 LEU 20 2HD2 LEU 20 24.130 15.377 13.446 158 H PHE 21 H PHE 21 24.107 17.285 14.171 159 HA PHE 21 HA PHE 21 23.843 20.041 13.088 160 1HB PHE 21 2HB PHE 21 25.420 18.791 15.179 161 2HB PHE 21 1HB PHE 21 26.451 19.674 14.054 162 HD1 PHE 21 HD1 PHE 21 23.096 20.117 15.695 163 HD2 PHE 21 HD2 PHE 21 26.824 21.913 14.545 164 HE1 PHE 21 HE1 PHE 21 22.379 22.258 16.718 165 HE2 PHE 21 HE2 PHE 21 26.107 24.056 15.566 166 HZ PHE 21 HZ PHE 21 23.884 24.229 16.652 167 H CYS 22 H CYS 22 23.754 19.145 10.839 168 HA CYS 22 HA CYS 22 25.614 17.601 9.505 169 1HB CYS 22 2HB CYS 22 23.863 19.821 8.780 170 2HB CYS 22 1HB CYS 22 25.330 19.803 7.803 171 HA PRO 23 HA PRO 23 29.345 19.904 10.763 172 1HB PRO 23 2HB PRO 23 31.075 17.996 9.934 173 2HB PRO 23 1HB PRO 23 30.225 17.921 11.479 174 1HG PRO 23 2HG PRO 23 29.569 16.570 8.887 175 2HG PRO 23 1HG PRO 23 29.563 15.896 10.520 176 1HD PRO 23 2HD PRO 23 27.285 16.660 9.305 177 2HD PRO 23 1HD PRO 23 27.513 16.853 11.044 178 H GLN 24 H GLN 24 30.863 21.082 9.569 179 HA GLN 24 HA GLN 24 30.267 21.646 6.837 180 1HB GLN 24 2HB GLN 24 32.764 22.205 8.460 181 2HB GLN 24 1HB GLN 24 32.444 22.885 6.865 182 1HG GLN 24 2HG GLN 24 30.384 23.936 7.719 183 2HG GLN 24 1HG GLN 24 30.686 23.243 9.313 184 1HE2 GLN 24 1HE2 GLN 24 30.531 26.064 9.010 185 2HE2 GLN 24 2HE2 GLN 24 32.073 26.730 9.253 186 H ASP 25 H ASP 25 32.778 19.614 8.316 187 HA ASP 25 HA ASP 25 32.874 17.828 6.083 188 1HB ASP 25 2HB ASP 25 33.937 19.824 5.014 189 2HB ASP 25 1HB ASP 25 35.203 19.763 6.240 190 H LYS 26 H LYS 26 32.913 17.855 9.045 191 HA LYS 26 HA LYS 26 35.501 17.108 10.020 192 1HB LYS 26 2HB LYS 26 32.729 16.351 10.989 193 2HB LYS 26 1HB LYS 26 34.215 16.020 11.879 194 1HG LYS 26 2HG LYS 26 34.718 18.499 11.770 195 2HG LYS 26 1HG LYS 26 33.096 18.731 11.119 196 1HD LYS 26 2HD LYS 26 32.162 17.617 13.145 197 2HD LYS 26 1HD LYS 26 33.794 17.499 13.802 198 1HE LYS 26 2HE LYS 26 33.874 19.715 14.335 199 2HE LYS 26 1HE LYS 26 33.018 20.196 12.869 200 1HZ LYS 26 3HZ LYS 26 31.183 18.792 14.346 201 2HZ LYS 26 2HZ LYS 26 31.997 19.753 15.487 202 3HZ LYS 26 1HZ LYS 26 31.244 20.475 14.145 203 H LYS 27 H LYS 27 32.799 15.204 8.735 204 HA LYS 27 HA LYS 27 34.724 12.959 8.294 205 1HB LYS 27 2HB LYS 27 33.213 12.384 10.159 206 2HB LYS 27 1HB LYS 27 31.816 12.735 9.141 207 1HG LYS 27 2HG LYS 27 31.973 10.750 8.051 208 2HG LYS 27 1HG LYS 27 33.728 10.868 7.913 209 1HD LYS 27 2HD LYS 27 33.271 10.500 10.647 210 2HD LYS 27 1HD LYS 27 32.127 9.410 9.863 211 1HE LYS 27 2HE LYS 27 34.816 9.418 8.651 212 2HE LYS 27 1HE LYS 27 34.773 8.827 10.312 213 1HZ LYS 27 2HZ LYS 27 32.584 7.763 8.925 214 2HZ LYS 27 1HZ LYS 27 33.977 7.497 7.990 215 3HZ LYS 27 3HZ LYS 27 33.912 6.938 9.590 216 HA PRO 28 HA PRO 28 32.834 14.362 4.287 217 1HB PRO 28 2HB PRO 28 35.063 13.890 2.830 218 2HB PRO 28 1HB PRO 28 34.784 15.396 3.706 219 1HG PRO 28 2HG PRO 28 36.419 13.013 4.503 220 2HG PRO 28 1HG PRO 28 36.822 14.728 4.632 221 1HD PRO 28 1HD PRO 28 35.949 13.320 6.756 222 2HD PRO 28 2HD PRO 28 35.533 15.020 6.537 223 H ILE 29 H ILE 29 31.502 12.792 3.529 224 HA ILE 29 HA ILE 29 32.726 10.153 2.822 225 HB ILE 29 HB ILE 29 30.595 9.094 3.293 226 1HG1 ILE 29 2HG1 ILE 29 28.805 10.680 4.374 227 2HG1 ILE 29 1HG1 ILE 29 29.666 11.942 3.498 228 1HG2 ILE 29 1HG2 ILE 29 31.743 10.912 5.379 229 2HG2 ILE 29 3HG2 ILE 29 30.258 10.033 5.751 230 3HG2 ILE 29 2HG2 ILE 29 31.723 9.149 5.319 231 1HD1 ILE 29 2HD1 ILE 29 29.194 9.609 1.821 232 2HD1 ILE 29 1HD1 ILE 29 27.687 10.269 2.455 233 3HD1 ILE 29 3HD1 ILE 29 28.777 11.298 1.525 234 H GLN 30 H GLN 30 31.158 9.068 1.084 235 HA GLN 30 HA GLN 30 30.900 11.070 -1.089 236 1HB GLN 30 2HB GLN 30 30.880 8.044 -1.017 237 2HB GLN 30 1HB GLN 30 30.441 8.949 -2.465 238 1HG GLN 30 2HG GLN 30 32.650 10.139 -2.310 239 2HG GLN 30 1HG GLN 30 33.084 9.062 -0.982 240 1HE2 GLN 30 1HE2 GLN 30 34.726 8.889 -3.179 241 2HE2 GLN 30 2HE2 GLN 30 34.407 7.480 -4.070 242 H SER 31 H SER 31 28.908 11.946 -1.494 243 HA SER 31 HA SER 31 26.562 10.852 -0.135 244 1HB SER 31 2HB SER 31 25.965 13.015 -0.292 245 2HB SER 31 1HB SER 31 27.302 13.341 -1.390 246 HG SER 31 HG SER 31 25.963 12.551 -3.086 247 H LEU 32 H LEU 32 24.883 9.725 -1.045 248 HA LEU 32 HA LEU 32 25.332 8.718 -3.812 249 1HB LEU 32 2HB LEU 32 23.580 7.002 -3.114 250 2HB LEU 32 1HB LEU 32 25.107 6.926 -2.234 251 HG LEU 32 HG LEU 32 23.252 8.789 -0.984 252 1HD1 LEU 32 2HD1 LEU 32 22.293 6.063 -1.736 253 2HD1 LEU 32 1HD1 LEU 32 21.921 6.637 -0.111 254 3HD1 LEU 32 3HD1 LEU 32 21.376 7.554 -1.516 255 1HD2 LEU 32 1HD2 LEU 32 25.004 6.483 -0.269 256 2HD2 LEU 32 3HD2 LEU 32 24.930 8.098 0.436 257 3HD2 LEU 32 2HD2 LEU 32 23.712 6.894 0.859 258 H ASP 33 H ASP 33 23.478 10.960 -2.101 259 HA ASP 33 HA ASP 33 21.038 10.710 -3.694 260 1HB ASP 33 2HB ASP 33 22.030 12.865 -1.808 261 2HB ASP 33 1HB ASP 33 20.447 12.886 -2.586 262 H GLY 34 H GLY 34 24.027 11.560 -4.599 263 1HA GLY 34 1HA GLY 34 23.013 13.607 -6.524 264 2HA GLY 34 2HA GLY 34 24.298 12.456 -6.891 265 H ILE 35 H ILE 35 24.528 13.591 -3.718 266 HA ILE 35 HA ILE 35 26.227 15.912 -4.443 267 HB ILE 35 HB ILE 35 25.738 14.978 -1.621 268 1HG1 ILE 35 2HG1 ILE 35 23.814 16.875 -2.921 269 2HG1 ILE 35 1HG1 ILE 35 23.568 15.146 -3.150 270 1HG2 ILE 35 1HG2 ILE 35 26.196 17.623 -3.016 271 2HG2 ILE 35 3HG2 ILE 35 25.689 17.514 -1.330 272 3HG2 ILE 35 2HG2 ILE 35 27.235 16.830 -1.832 273 1HD1 ILE 35 2HD1 ILE 35 24.030 16.293 -0.400 274 2HD1 ILE 35 1HD1 ILE 35 22.419 16.261 -1.116 275 3HD1 ILE 35 3HD1 ILE 35 23.291 14.754 -0.840 276 H MET 36 H MET 36 28.340 16.049 -3.103 277 HA MET 36 HA MET 36 29.558 13.346 -2.756 278 1HB MET 36 2HB MET 36 30.729 15.698 -4.274 279 2HB MET 36 1HB MET 36 31.657 14.278 -3.796 280 1HG MET 36 2HG MET 36 30.151 12.834 -5.091 281 2HG MET 36 1HG MET 36 29.173 14.232 -5.537 282 1HE MET 36 3HE MET 36 32.606 12.622 -5.502 283 2HE MET 36 2HE MET 36 33.566 13.518 -6.677 284 3HE MET 36 1HE MET 36 33.114 14.280 -5.154 285 H PHE 37 H PHE 37 29.214 13.825 -0.445 286 HA PHE 37 HA PHE 37 31.506 14.983 0.804 287 1HB PHE 37 2HB PHE 37 30.746 17.080 1.551 288 2HB PHE 37 1HB PHE 37 30.222 17.016 -0.130 289 HD1 PHE 37 HD1 PHE 37 27.947 14.953 0.395 290 HD2 PHE 37 HD2 PHE 37 29.042 18.657 2.276 291 HE1 PHE 37 HE1 PHE 37 25.600 15.281 1.112 292 HE2 PHE 37 HE2 PHE 37 26.690 18.985 2.993 293 HZ PHE 37 HZ PHE 37 24.970 17.297 2.410 294 H ILE 38 H ILE 38 30.195 15.932 3.193 295 HA ILE 38 HA ILE 38 29.754 13.448 4.547 296 HB ILE 38 HB ILE 38 28.882 16.212 5.433 297 1HG1 ILE 38 2HG1 ILE 38 31.538 14.773 5.593 298 2HG1 ILE 38 1HG1 ILE 38 31.211 16.370 4.922 299 1HG2 ILE 38 1HG2 ILE 38 27.953 14.313 6.732 300 2HG2 ILE 38 3HG2 ILE 38 29.587 13.703 6.990 301 3HG2 ILE 38 2HG2 ILE 38 29.102 15.248 7.686 302 1HD1 ILE 38 1HD1 ILE 38 30.833 15.641 7.842 303 2HD1 ILE 38 3HD1 ILE 38 32.266 16.444 7.199 304 3HD1 ILE 38 2HD1 ILE 38 30.698 17.248 7.129 305 H ASN 39 H ASN 39 28.103 12.719 2.828 306 HA ASN 39 HA ASN 39 25.465 13.855 2.807 307 1HB ASN 39 2HB ASN 39 26.627 12.135 1.188 308 2HB ASN 39 1HB ASN 39 25.947 10.939 2.290 309 1HD2 ASN 39 1HD2 ASN 39 24.302 10.176 0.818 310 2HD2 ASN 39 2HD2 ASN 39 23.001 11.150 0.327 311 H LYS 40 H LYS 40 27.039 11.424 4.830 312 HA LYS 40 HA LYS 40 24.895 10.155 6.022 313 1HB LYS 40 2HB LYS 40 27.431 11.208 7.283 314 2HB LYS 40 1HB LYS 40 26.277 10.209 8.167 315 1HG LYS 40 2HG LYS 40 26.485 8.476 6.365 316 2HG LYS 40 1HG LYS 40 27.753 9.455 5.627 317 1HD LYS 40 2HD LYS 40 29.029 9.327 7.779 318 2HD LYS 40 1HD LYS 40 27.798 8.226 8.400 319 1HE LYS 40 2HE LYS 40 28.257 6.697 6.478 320 2HE LYS 40 1HE LYS 40 29.557 7.775 5.968 321 1HZ LYS 40 2HZ LYS 40 29.416 6.529 8.656 322 2HZ LYS 40 1HZ LYS 40 30.279 5.860 7.355 323 3HZ LYS 40 3HZ LYS 40 30.725 7.373 7.978 324 H CYS 41 H CYS 41 26.169 13.355 6.934 325 HA CYS 41 HA CYS 41 24.032 13.805 8.850 326 1HB CYS 41 2HB CYS 41 25.090 15.813 9.311 327 2HB CYS 41 1HB CYS 41 26.432 14.938 8.586 328 H ALA 42 H ALA 42 24.672 14.746 5.502 329 HA ALA 42 HA ALA 42 22.387 16.407 5.126 330 1HB ALA 42 3HB ALA 42 24.497 15.674 3.563 331 2HB ALA 42 2HB ALA 42 23.201 14.731 2.828 332 3HB ALA 42 1HB ALA 42 23.057 16.485 2.948 333 H THR 43 H THR 43 22.768 12.905 5.149 334 HA THR 43 HA THR 43 19.932 12.605 4.280 335 HB THR 43 HB THR 43 20.762 10.067 4.516 336 HG1 THR 43 HG1 THR 43 22.814 10.767 5.295 337 1HG2 THR 43 1HG2 THR 43 21.328 12.010 2.266 338 2HG2 THR 43 3HG2 THR 43 21.537 10.267 2.100 339 3HG2 THR 43 2HG2 THR 43 19.940 10.934 2.438 340 H CYS 44 H CYS 44 22.088 12.196 7.006 341 HA CYS 44 HA CYS 44 20.240 10.629 8.601 342 1HB CYS 44 2HB CYS 44 22.707 10.676 9.003 343 2HB CYS 44 1HB CYS 44 22.556 12.352 9.535 344 H LYS 45 H LYS 45 20.844 14.085 8.156 345 HA LYS 45 HA LYS 45 19.502 15.096 10.416 346 1HB LYS 45 2HB LYS 45 20.721 16.451 8.662 347 2HB LYS 45 1HB LYS 45 19.307 16.262 7.625 348 1HG LYS 45 2HG LYS 45 17.899 17.332 9.346 349 2HG LYS 45 1HG LYS 45 19.309 17.514 10.390 350 1HD LYS 45 2HD LYS 45 20.397 18.867 8.573 351 2HD LYS 45 1HD LYS 45 18.883 18.788 7.671 352 1HE LYS 45 2HE LYS 45 18.626 19.655 10.491 353 2HE LYS 45 1HE LYS 45 19.489 20.775 9.437 354 1HZ LYS 45 3HZ LYS 45 17.170 19.724 8.166 355 2HZ LYS 45 2HZ LYS 45 16.769 20.477 9.636 356 3HZ LYS 45 1HZ LYS 45 17.608 21.341 8.437 357 H MET 46 H MET 46 18.133 13.990 7.326 358 HA MET 46 HA MET 46 15.401 14.588 8.208 359 1HB MET 46 2HB MET 46 16.466 13.087 5.794 360 2HB MET 46 1HB MET 46 14.764 13.456 6.068 361 1HG MET 46 2HG MET 46 17.016 15.465 5.758 362 2HG MET 46 1HG MET 46 15.723 15.153 4.600 363 1HE MET 46 3HE MET 46 13.487 14.878 5.296 364 2HE MET 46 2HE MET 46 12.911 15.140 6.940 365 3HE MET 46 1HE MET 46 12.661 16.384 5.719 366 H ILE 47 H ILE 47 17.577 11.841 8.082 367 HA ILE 47 HA ILE 47 15.482 9.906 8.743 368 HB ILE 47 HB ILE 47 18.508 9.697 8.720 369 1HG1 ILE 47 2HG1 ILE 47 16.446 8.543 6.823 370 2HG1 ILE 47 1HG1 ILE 47 17.310 10.052 6.524 371 1HG2 ILE 47 1HG2 ILE 47 16.462 7.943 9.806 372 2HG2 ILE 47 3HG2 ILE 47 17.347 7.153 8.501 373 3HG2 ILE 47 2HG2 ILE 47 18.217 7.794 9.895 374 1HD1 ILE 47 1HD1 ILE 47 19.463 8.835 6.675 375 2HD1 ILE 47 3HD1 ILE 47 18.584 7.329 6.939 376 3HD1 ILE 47 2HD1 ILE 47 18.440 8.176 5.399 377 H LEU 48 H LEU 48 17.524 12.104 10.454 378 HA LEU 48 HA LEU 48 17.603 10.663 12.965 379 1HB LEU 48 2HB LEU 48 18.950 12.806 12.066 380 2HB LEU 48 1HB LEU 48 17.665 13.650 12.926 381 HG LEU 48 HG LEU 48 19.326 13.377 14.570 382 1HD1 LEU 48 2HD1 LEU 48 17.432 11.017 14.770 383 2HD1 LEU 48 1HD1 LEU 48 18.478 11.542 16.083 384 3HD1 LEU 48 3HD1 LEU 48 17.218 12.617 15.480 385 1HD2 LEU 48 2HD2 LEU 48 19.945 10.966 13.011 386 2HD2 LEU 48 1HD2 LEU 48 21.018 12.000 13.956 387 3HD2 LEU 48 3HD2 LEU 48 20.086 10.731 14.753 388 H GLU 49 H GLU 49 15.424 13.042 11.502 389 HA GLU 49 HA GLU 49 13.819 13.541 13.814 390 1HB GLU 49 2HB GLU 49 13.015 13.536 10.887 391 2HB GLU 49 1HB GLU 49 12.078 14.251 12.200 392 1HG GLU 49 2HG GLU 49 13.978 15.754 12.720 393 2HG GLU 49 1HG GLU 49 14.887 15.055 11.380 394 H LYS 50 H LYS 50 13.850 10.899 11.493 395 HA LYS 50 HA LYS 50 11.304 9.770 12.098 396 1HB LYS 50 2HB LYS 50 12.762 9.057 10.196 397 2HB LYS 50 1HB LYS 50 13.845 8.287 11.357 398 1HG LYS 50 2HG LYS 50 11.952 6.882 12.150 399 2HG LYS 50 1HG LYS 50 10.917 7.617 10.927 400 1HD LYS 50 2HD LYS 50 12.516 6.813 9.171 401 2HD LYS 50 1HD LYS 50 13.414 5.968 10.433 402 1HE LYS 50 2HE LYS 50 11.870 4.309 10.577 403 2HE LYS 50 1HE LYS 50 10.519 5.438 10.478 404 1HZ LYS 50 3HZ LYS 50 11.012 5.637 8.067 405 2HZ LYS 50 2HZ LYS 50 12.139 4.377 8.232 406 3HZ LYS 50 1HZ LYS 50 10.493 4.093 8.538 407 H GLU 51 H GLU 51 14.478 9.360 13.645 408 HA GLU 51 HA GLU 51 13.734 7.279 15.443 409 1HB GLU 51 2HB GLU 51 15.755 9.515 15.787 410 2HB GLU 51 1HB GLU 51 15.646 8.093 16.824 411 1HG GLU 51 2HG GLU 51 16.016 6.642 14.845 412 2HG GLU 51 1HG GLU 51 16.176 8.080 13.837 413 H ALA 52 H ALA 52 13.242 10.765 15.559 414 HA ALA 52 HA ALA 52 12.522 10.960 18.320 415 1HB ALA 52 2HB ALA 52 12.918 13.010 17.189 416 2HB ALA 52 1HB ALA 52 11.810 12.594 15.881 417 3HB ALA 52 3HB ALA 52 11.178 12.994 17.478 418 H LYS 53 H LYS 53 10.762 9.888 15.483 419 HA LYS 53 HA LYS 53 8.113 10.060 16.527 420 1HB LYS 53 2HB LYS 53 9.321 8.086 14.566 421 2HB LYS 53 1HB LYS 53 7.592 8.260 14.868 422 1HG LYS 53 2HG LYS 53 7.774 10.673 14.224 423 2HG LYS 53 1HG LYS 53 9.464 10.395 13.800 424 1HD LYS 53 2HD LYS 53 8.715 8.625 12.193 425 2HD LYS 53 1HD LYS 53 7.044 9.056 12.554 426 1HE LYS 53 2HE LYS 53 7.176 10.672 10.991 427 2HE LYS 53 1HE LYS 53 8.380 11.485 11.991 428 1HZ LYS 53 2HZ LYS 53 9.749 9.450 10.792 429 2HZ LYS 53 1HZ LYS 53 8.728 10.025 9.562 430 3HZ LYS 53 3HZ LYS 53 9.794 11.088 10.343 431 H SER 54 H SER 54 10.634 7.597 16.877 432 HA SER 54 HA SER 54 8.977 5.644 18.185 433 1HB SER 54 2HB SER 54 11.064 4.586 18.841 434 2HB SER 54 1HB SER 54 11.236 5.179 17.189 435 HG SER 54 HG SER 54 12.516 5.953 19.483 436 H GLN 55 H GLN 55 10.553 8.559 19.265 437 HA GLN 55 HA GLN 55 9.904 7.858 22.094 438 1HB GLN 55 2HB GLN 55 11.732 9.990 20.948 439 2HB GLN 55 1HB GLN 55 11.408 9.769 22.667 440 1HG GLN 55 2HG GLN 55 12.309 7.484 22.558 441 2HG GLN 55 1HG GLN 55 12.596 7.668 20.828 442 1HE2 GLN 55 1HE2 GLN 55 14.751 7.127 22.642 443 2HE2 GLN 55 2HE2 GLN 55 15.760 8.491 22.696 No H/Q in entry = 443 Start of MODEL 30 1 H1 LYS 1 2H LYS 1 11.552 -31.826 17.337 2 H2 LYS 1 1H LYS 1 9.941 -31.489 17.759 3 H3 LYS 1 3H LYS 1 10.725 -30.544 16.589 4 HA LYS 1 HA LYS 1 11.237 -29.124 18.197 5 1HB LYS 1 2HB LYS 1 10.505 -31.365 20.106 6 2HB LYS 1 1HB LYS 1 10.854 -29.706 20.591 7 1HG LYS 1 2HG LYS 1 8.998 -28.930 19.106 8 2HG LYS 1 1HG LYS 1 8.613 -30.616 18.760 9 1HD LYS 1 2HD LYS 1 8.300 -30.991 21.218 10 2HD LYS 1 1HD LYS 1 8.543 -29.263 21.474 11 1HE LYS 1 2HE LYS 1 6.491 -28.714 20.618 12 2HE LYS 1 1HE LYS 1 6.537 -30.000 19.413 13 1HZ LYS 1 2HZ LYS 1 6.419 -30.937 22.136 14 2HZ LYS 1 1HZ LYS 1 5.053 -30.045 21.659 15 3HZ LYS 1 3HZ LYS 1 5.516 -31.419 20.780 16 H ASN 2 H ASN 2 13.388 -29.858 17.070 17 HA ASN 2 HA ASN 2 15.212 -31.088 19.089 18 1HB ASN 2 2HB ASN 2 15.532 -30.696 16.098 19 2HB ASN 2 1HB ASN 2 16.766 -31.383 17.154 20 1HD2 ASN 2 1HD2 ASN 2 15.634 -32.928 15.027 21 2HD2 ASN 2 2HD2 ASN 2 14.708 -34.179 15.703 22 H GLU 3 H GLU 3 16.687 -29.784 20.074 23 HA GLU 3 HA GLU 3 16.679 -26.960 19.752 24 1HB GLU 3 2HB GLU 3 17.536 -28.198 21.765 25 2HB GLU 3 1HB GLU 3 18.958 -28.649 20.824 26 1HG GLU 3 2HG GLU 3 19.397 -26.212 20.426 27 2HG GLU 3 1HG GLU 3 18.059 -25.836 21.512 28 H ASP 4 H ASP 4 18.466 -29.475 18.100 29 HA ASP 4 HA ASP 4 20.556 -27.873 16.997 30 1HB ASP 4 2HB ASP 4 19.171 -30.335 15.893 31 2HB ASP 4 1HB ASP 4 20.646 -29.641 15.221 32 H GLN 5 H GLN 5 17.176 -28.230 16.161 33 HA GLN 5 HA GLN 5 17.293 -27.164 13.505 34 1HB GLN 5 2HB GLN 5 15.092 -27.114 15.590 35 2HB GLN 5 1HB GLN 5 14.874 -26.575 13.925 36 1HG GLN 5 2HG GLN 5 15.510 -28.801 13.102 37 2HG GLN 5 1HG GLN 5 15.788 -29.347 14.756 38 1HE2 GLN 5 1HE2 GLN 5 13.866 -30.698 13.195 39 2HE2 GLN 5 2HE2 GLN 5 12.313 -30.345 13.782 40 H GLU 6 H GLU 6 16.897 -25.612 16.685 41 HA GLU 6 HA GLU 6 16.479 -22.958 15.757 42 1HB GLU 6 2HB GLU 6 16.236 -23.742 18.137 43 2HB GLU 6 1HB GLU 6 17.996 -23.775 18.252 44 1HG GLU 6 2HG GLU 6 18.052 -21.362 17.643 45 2HG GLU 6 1HG GLU 6 16.289 -21.348 17.620 46 H MET 7 H MET 7 19.519 -24.650 16.580 47 HA MET 7 HA MET 7 21.250 -22.458 15.966 48 1HB MET 7 2HB MET 7 21.761 -25.446 15.837 49 2HB MET 7 1HB MET 7 23.015 -24.209 15.763 50 1HG MET 7 2HG MET 7 21.077 -24.634 18.060 51 2HG MET 7 1HG MET 7 22.786 -25.070 18.060 52 1HE MET 7 3HE MET 7 24.324 -23.573 16.936 53 2HE MET 7 2HE MET 7 24.100 -21.851 16.642 54 3HE MET 7 1HE MET 7 24.858 -22.390 18.138 55 H CYS 8 H CYS 8 19.637 -24.825 13.952 56 HA CYS 8 HA CYS 8 21.222 -24.630 11.607 57 1HB CYS 8 2HB CYS 8 19.455 -26.286 11.759 58 2HB CYS 8 1HB CYS 8 18.232 -25.025 11.920 59 H HIS 9 H HIS 9 18.571 -22.575 12.780 60 HA HIS 9 HA HIS 9 18.114 -20.919 10.607 61 1HB HIS 9 2HB HIS 9 16.886 -20.508 12.613 62 2HB HIS 9 1HB HIS 9 18.359 -20.237 13.543 63 HD1 HIS 9 HD1 HIS 9 19.824 -18.077 12.675 64 HD2 HIS 9 HD2 HIS 9 15.797 -18.171 11.600 65 HE1 HIS 9 HE1 HIS 9 19.208 -15.716 12.004 66 H GLU 10 H GLU 10 20.692 -20.395 13.044 67 HA GLU 10 HA GLU 10 21.914 -18.188 11.775 68 1HB GLU 10 2HB GLU 10 22.463 -19.046 14.069 69 2HB GLU 10 1HB GLU 10 23.343 -20.374 13.312 70 1HG GLU 10 2HG GLU 10 24.766 -18.701 12.124 71 2HG GLU 10 1HG GLU 10 23.932 -17.415 12.996 72 H PHE 11 H PHE 11 22.278 -21.657 11.142 73 HA PHE 11 HA PHE 11 24.505 -21.286 9.309 74 1HB PHE 11 2HB PHE 11 23.125 -23.495 10.482 75 2HB PHE 11 1HB PHE 11 23.094 -23.702 8.731 76 HD1 PHE 11 HD1 PHE 11 25.488 -22.728 7.670 77 HD2 PHE 11 HD2 PHE 11 24.908 -24.616 11.482 78 HE1 PHE 11 HE1 PHE 11 27.873 -23.401 7.696 79 HE2 PHE 11 HE2 PHE 11 27.296 -25.290 11.511 80 HZ PHE 11 HZ PHE 11 28.779 -24.681 9.618 81 H GLN 12 H GLN 12 21.244 -20.547 9.078 82 HA GLN 12 HA GLN 12 20.623 -21.342 6.402 83 1HB GLN 12 2HB GLN 12 19.669 -19.011 8.088 84 2HB GLN 12 1HB GLN 12 19.005 -19.386 6.498 85 1HG GLN 12 2HG GLN 12 18.304 -21.588 7.257 86 2HG GLN 12 1HG GLN 12 19.096 -21.343 8.814 87 1HE2 GLN 12 1HE2 GLN 12 16.339 -21.896 8.804 88 2HE2 GLN 12 2HE2 GLN 12 15.475 -20.499 9.233 89 H ALA 13 H ALA 13 22.341 -18.543 7.718 90 HA ALA 13 HA ALA 13 22.469 -16.971 5.360 91 1HB ALA 13 2HB ALA 13 23.464 -16.749 7.917 92 2HB ALA 13 1HB ALA 13 24.934 -16.991 6.972 93 3HB ALA 13 3HB ALA 13 23.850 -15.652 6.591 94 H PHE 14 H PHE 14 24.325 -19.797 6.361 95 HA PHE 14 HA PHE 14 26.163 -19.527 4.071 96 1HB PHE 14 2HB PHE 14 25.865 -21.687 6.177 97 2HB PHE 14 1HB PHE 14 27.120 -21.661 4.939 98 HD1 PHE 14 HD1 PHE 14 28.833 -19.855 4.924 99 HD2 PHE 14 HD2 PHE 14 25.953 -20.225 8.090 100 HE1 PHE 14 HE1 PHE 14 30.203 -18.355 6.346 101 HE2 PHE 14 HE2 PHE 14 27.324 -18.725 9.512 102 HZ PHE 14 HZ PHE 14 29.449 -17.790 8.640 103 H MET 15 H MET 15 23.047 -20.658 4.510 104 HA MET 15 HA MET 15 23.230 -23.014 2.785 105 1HB MET 15 2HB MET 15 21.476 -22.832 4.524 106 2HB MET 15 1HB MET 15 20.806 -21.428 3.692 107 1HG MET 15 2HG MET 15 20.583 -22.921 1.635 108 2HG MET 15 1HG MET 15 20.939 -24.283 2.696 109 1HE MET 15 1HE MET 15 19.131 -21.297 1.938 110 2HE MET 15 3HE MET 15 17.423 -21.751 2.010 111 3HE MET 15 2HE MET 15 18.199 -21.004 3.404 112 H LYS 16 H LYS 16 23.331 -22.911 0.603 113 HA LYS 16 HA LYS 16 22.290 -20.439 -0.729 114 1HB LYS 16 2HB LYS 16 24.802 -20.744 -0.787 115 2HB LYS 16 1HB LYS 16 24.536 -22.211 -1.729 116 1HG LYS 16 2HG LYS 16 23.374 -20.914 -3.460 117 2HG LYS 16 1HG LYS 16 23.565 -19.442 -2.507 118 1HD LYS 16 2HD LYS 16 26.040 -19.727 -2.631 119 2HD LYS 16 1HD LYS 16 25.801 -21.134 -3.667 120 1HE LYS 16 2HE LYS 16 24.307 -19.408 -5.047 121 2HE LYS 16 1HE LYS 16 25.373 -18.237 -4.271 122 1HZ LYS 16 2HZ LYS 16 26.327 -20.620 -5.761 123 2HZ LYS 16 1HZ LYS 16 26.194 -19.067 -6.438 124 3HZ LYS 16 3HZ LYS 16 27.271 -19.342 -5.157 125 H ASN 17 H ASN 17 21.255 -20.765 -2.789 126 HA ASN 17 HA ASN 17 19.692 -21.910 -4.125 127 1HB ASN 17 2HB ASN 17 21.871 -24.013 -3.916 128 2HB ASN 17 1HB ASN 17 20.583 -23.999 -5.121 129 1HD2 ASN 17 1HD2 ASN 17 23.421 -23.807 -5.782 130 2HD2 ASN 17 2HD2 ASN 17 23.673 -22.284 -6.488 131 H GLY 18 H GLY 18 19.231 -22.112 -1.289 132 1HA GLY 18 1HA GLY 18 17.301 -24.204 -1.223 133 2HA GLY 18 2HA GLY 18 17.893 -23.342 0.196 134 H LYS 19 H LYS 19 20.675 -24.093 -0.202 135 HA LYS 19 HA LYS 19 20.484 -26.897 0.769 136 1HB LYS 19 2HB LYS 19 21.116 -26.683 -1.750 137 2HB LYS 19 1HB LYS 19 22.674 -26.125 -1.144 138 1HG LYS 19 2HG LYS 19 22.074 -28.384 0.405 139 2HG LYS 19 1HG LYS 19 21.601 -28.826 -1.235 140 1HD LYS 19 2HD LYS 19 23.878 -27.868 -1.964 141 2HD LYS 19 1HD LYS 19 24.308 -27.913 -0.254 142 1HE LYS 19 2HE LYS 19 23.267 -30.407 -0.561 143 2HE LYS 19 1HE LYS 19 23.935 -30.144 -2.171 144 1HZ LYS 19 1HZ LYS 19 25.569 -29.455 0.164 145 2HZ LYS 19 3HZ LYS 19 25.409 -31.090 -0.256 146 3HZ LYS 19 2HZ LYS 19 26.052 -29.986 -1.376 147 H LEU 20 H LEU 20 21.683 -27.128 2.600 148 HA LEU 20 HA LEU 20 23.320 -24.885 3.519 149 1HB LEU 20 2HB LEU 20 21.862 -26.295 5.031 150 2HB LEU 20 1HB LEU 20 23.000 -27.620 4.791 151 HG LEU 20 HG LEU 20 23.369 -26.184 6.876 152 1HD1 LEU 20 2HD1 LEU 20 25.081 -27.640 5.530 153 2HD1 LEU 20 1HD1 LEU 20 25.767 -26.080 5.074 154 3HD1 LEU 20 3HD1 LEU 20 25.671 -26.538 6.775 155 1HD2 LEU 20 3HD2 LEU 20 23.010 -24.069 5.288 156 2HD2 LEU 20 2HD2 LEU 20 24.067 -23.989 6.697 157 3HD2 LEU 20 1HD2 LEU 20 24.755 -24.230 5.092 158 H PHE 21 H PHE 21 25.460 -24.685 3.104 159 HA PHE 21 HA PHE 21 26.901 -26.990 1.930 160 1HB PHE 21 2HB PHE 21 27.525 -24.042 2.179 161 2HB PHE 21 1HB PHE 21 28.715 -25.210 1.605 162 HD1 PHE 21 HD1 PHE 21 25.184 -24.100 1.005 163 HD2 PHE 21 HD2 PHE 21 28.760 -25.798 -0.663 164 HE1 PHE 21 HE1 PHE 21 24.162 -24.033 -1.253 165 HE2 PHE 21 HE2 PHE 21 27.738 -25.731 -2.922 166 HZ PHE 21 HZ PHE 21 25.439 -24.848 -3.217 167 H CYS 22 H CYS 22 26.998 -28.171 3.997 168 HA CYS 22 HA CYS 22 27.987 -27.417 6.438 169 1HB CYS 22 2HB CYS 22 28.062 -29.875 4.863 170 2HB CYS 22 1HB CYS 22 29.428 -29.747 5.970 171 HA PRO 23 HA PRO 23 32.016 -25.827 5.054 172 1HB PRO 23 2HB PRO 23 32.098 -23.778 6.802 173 2HB PRO 23 1HB PRO 23 31.208 -23.703 5.282 174 1HG PRO 23 2HG PRO 23 30.197 -23.906 8.033 175 2HG PRO 23 1HG PRO 23 29.377 -23.339 6.580 176 1HD PRO 23 1HD PRO 23 29.136 -25.894 7.848 177 2HD PRO 23 2HD PRO 23 28.333 -25.335 6.383 178 H GLN 24 H GLN 24 34.089 -25.883 6.085 179 HA GLN 24 HA GLN 24 34.135 -27.510 8.557 180 1HB GLN 24 2HB GLN 24 36.335 -26.646 6.655 181 2HB GLN 24 1HB GLN 24 36.586 -27.669 8.070 182 1HG GLN 24 2HG GLN 24 34.995 -29.323 7.151 183 2HG GLN 24 1HG GLN 24 34.757 -28.303 5.733 184 1HE2 GLN 24 1HE2 GLN 24 35.773 -30.929 5.405 185 2HE2 GLN 24 2HE2 GLN 24 37.400 -30.840 4.930 186 H ASP 25 H ASP 25 33.447 -24.559 8.468 187 HA ASP 25 HA ASP 25 35.668 -23.128 9.645 188 1HB ASP 25 2HB ASP 25 32.685 -22.595 9.619 189 2HB ASP 25 1HB ASP 25 33.868 -21.479 10.301 190 H LYS 26 H LYS 26 32.928 -24.957 10.951 191 HA LYS 26 HA LYS 26 33.579 -24.242 13.713 192 1HB LYS 26 2HB LYS 26 31.709 -26.332 12.555 193 2HB LYS 26 1HB LYS 26 31.833 -25.940 14.271 194 1HG LYS 26 2HG LYS 26 31.281 -23.556 13.701 195 2HG LYS 26 1HG LYS 26 31.004 -24.065 12.035 196 1HD LYS 26 2HD LYS 26 29.285 -25.680 12.860 197 2HD LYS 26 1HD LYS 26 29.515 -25.045 14.489 198 1HE LYS 26 2HE LYS 26 28.840 -23.225 12.177 199 2HE LYS 26 1HE LYS 26 27.578 -24.056 13.088 200 1HZ LYS 26 3HZ LYS 26 28.901 -23.094 15.105 201 2HZ LYS 26 2HZ LYS 26 29.428 -21.955 13.960 202 3HZ LYS 26 1HZ LYS 26 27.770 -22.137 14.280 203 H LYS 27 H LYS 27 34.246 -25.877 15.314 204 HA LYS 27 HA LYS 27 35.682 -28.208 14.142 205 1HB LYS 27 2HB LYS 27 36.900 -25.863 15.321 206 2HB LYS 27 1HB LYS 27 37.284 -27.296 16.274 207 1HG LYS 27 2HG LYS 27 37.448 -27.680 13.349 208 2HG LYS 27 1HG LYS 27 38.635 -26.557 14.014 209 1HD LYS 27 2HD LYS 27 39.533 -28.197 15.472 210 2HD LYS 27 1HD LYS 27 38.134 -29.253 15.280 211 1HE LYS 27 2HE LYS 27 38.743 -29.720 12.971 212 2HE LYS 27 1HE LYS 27 40.060 -28.550 13.045 213 1HZ LYS 27 3HZ LYS 27 39.925 -30.820 14.928 214 2HZ LYS 27 2HZ LYS 27 40.617 -31.001 13.387 215 3HZ LYS 27 1HZ LYS 27 41.270 -29.885 14.489 216 HA PRO 28 HA PRO 28 35.061 -29.226 18.816 217 1HB PRO 28 2HB PRO 28 34.135 -27.282 20.453 218 2HB PRO 28 1HB PRO 28 35.854 -27.545 20.148 219 1HG PRO 28 2HG PRO 28 33.994 -25.542 18.916 220 2HG PRO 28 1HG PRO 28 35.639 -25.306 19.517 221 1HD PRO 28 1HD PRO 28 35.128 -25.592 16.891 222 2HD PRO 28 2HD PRO 28 36.601 -26.228 17.621 223 H ILE 29 H ILE 29 33.215 -29.855 17.102 224 HA ILE 29 HA ILE 29 30.615 -29.136 18.397 225 HB ILE 29 HB ILE 29 29.846 -29.876 15.889 226 1HG1 ILE 29 2HG1 ILE 29 31.382 -28.562 14.346 227 2HG1 ILE 29 1HG1 ILE 29 32.556 -28.545 15.662 228 1HG2 ILE 29 1HG2 ILE 29 29.830 -27.568 17.459 229 2HG2 ILE 29 3HG2 ILE 29 30.541 -27.047 15.932 230 3HG2 ILE 29 2HG2 ILE 29 28.949 -27.808 15.948 231 1HD1 ILE 29 1HD1 ILE 29 31.619 -31.217 15.428 232 2HD1 ILE 29 3HD1 ILE 29 31.988 -30.660 13.795 233 3HD1 ILE 29 2HD1 ILE 29 33.228 -30.605 15.047 234 H GLN 30 H GLN 30 28.924 -30.875 17.869 235 HA GLN 30 HA GLN 30 30.027 -33.573 17.415 236 1HB GLN 30 2HB GLN 30 30.286 -33.187 19.867 237 2HB GLN 30 1HB GLN 30 28.555 -32.867 19.977 238 1HG GLN 30 2HG GLN 30 28.039 -35.118 19.224 239 2HG GLN 30 1HG GLN 30 29.744 -35.446 18.912 240 1HE2 GLN 30 1HE2 GLN 30 28.759 -37.253 20.612 241 2HE2 GLN 30 2HE2 GLN 30 29.136 -36.912 22.231 242 H SER 31 H SER 31 28.550 -34.630 16.153 243 HA SER 31 HA SER 31 25.958 -33.382 15.668 244 1HB SER 31 2HB SER 31 26.086 -34.492 13.714 245 2HB SER 31 1HB SER 31 27.679 -35.052 14.224 246 HG SER 31 HG SER 31 25.219 -36.356 14.263 247 H LEU 32 H LEU 32 23.950 -34.156 16.237 248 HA LEU 32 HA LEU 32 23.883 -35.988 18.543 249 1HB LEU 32 2HB LEU 32 21.668 -34.444 17.153 250 2HB LEU 32 1HB LEU 32 21.495 -35.339 18.661 251 HG LEU 32 HG LEU 32 23.318 -33.877 19.633 252 1HD1 LEU 32 2HD1 LEU 32 22.991 -32.625 16.922 253 2HD1 LEU 32 1HD1 LEU 32 23.434 -31.618 18.298 254 3HD1 LEU 32 3HD1 LEU 32 24.473 -32.959 17.817 255 1HD2 LEU 32 1HD2 LEU 32 20.564 -33.276 19.074 256 2HD2 LEU 32 3HD2 LEU 32 21.524 -32.809 20.478 257 3HD2 LEU 32 2HD2 LEU 32 21.494 -31.779 19.046 258 H ASP 33 H ASP 33 23.393 -36.111 15.146 259 HA ASP 33 HA ASP 33 21.506 -38.323 15.142 260 1HB ASP 33 2HB ASP 33 23.349 -37.263 12.980 261 2HB ASP 33 1HB ASP 33 22.090 -38.472 12.725 262 H GLY 34 H GLY 34 24.622 -38.207 16.180 263 1HA GLY 34 1HA GLY 34 25.007 -41.096 15.582 264 2HA GLY 34 2HA GLY 34 25.777 -40.219 16.906 265 H ILE 35 H ILE 35 26.346 -37.938 15.003 266 HA ILE 35 HA ILE 35 28.618 -39.223 13.537 267 HB ILE 35 HB ILE 35 27.371 -36.582 12.765 268 1HG1 ILE 35 2HG1 ILE 35 26.628 -38.939 11.161 269 2HG1 ILE 35 1HG1 ILE 35 25.918 -38.920 12.773 270 1HG2 ILE 35 3HG2 ILE 35 28.960 -38.680 11.257 271 2HG2 ILE 35 2HG2 ILE 35 28.360 -37.169 10.575 272 3HG2 ILE 35 1HG2 ILE 35 29.584 -37.139 11.844 273 1HD1 ILE 35 3HD1 ILE 35 25.097 -36.612 12.367 274 2HD1 ILE 35 2HD1 ILE 35 25.769 -36.675 10.737 275 3HD1 ILE 35 1HD1 ILE 35 24.447 -37.752 11.189 276 H MET 36 H MET 36 30.635 -38.125 13.637 277 HA MET 36 HA MET 36 30.837 -36.195 15.899 278 1HB MET 36 2HB MET 36 32.976 -37.810 14.473 279 2HB MET 36 1HB MET 36 33.256 -36.744 15.850 280 1HG MET 36 2HG MET 36 31.667 -38.115 17.192 281 2HG MET 36 1HG MET 36 31.487 -39.210 15.821 282 1HE MET 36 2HE MET 36 33.398 -40.209 14.589 283 2HE MET 36 1HE MET 36 34.664 -38.990 14.705 284 3HE MET 36 3HE MET 36 34.969 -40.643 15.257 285 H PHE 37 H PHE 37 29.856 -35.355 13.296 286 HA PHE 37 HA PHE 37 32.136 -33.663 12.361 287 1HB PHE 37 2HB PHE 37 31.028 -35.227 10.696 288 2HB PHE 37 1HB PHE 37 29.567 -34.254 10.872 289 HD1 PHE 37 HD1 PHE 37 33.135 -34.168 9.836 290 HD2 PHE 37 HD2 PHE 37 29.371 -32.098 9.841 291 HE1 PHE 37 HE1 PHE 37 34.038 -32.521 8.217 292 HE2 PHE 37 HE2 PHE 37 30.274 -30.452 8.222 293 HZ PHE 37 HZ PHE 37 32.608 -30.663 7.410 294 H ILE 38 H ILE 38 31.378 -31.449 11.546 295 HA ILE 38 HA ILE 38 30.305 -29.874 13.553 296 HB ILE 38 HB ILE 38 29.864 -29.457 10.580 297 1HG1 ILE 38 2HG1 ILE 38 32.144 -28.679 12.423 298 2HG1 ILE 38 1HG1 ILE 38 32.226 -29.794 11.058 299 1HG2 ILE 38 2HG2 ILE 38 28.523 -28.030 12.206 300 2HG2 ILE 38 1HG2 ILE 38 30.062 -27.401 12.796 301 3HG2 ILE 38 3HG2 ILE 38 29.584 -27.133 11.120 302 1HD1 ILE 38 3HD1 ILE 38 31.097 -27.277 10.203 303 2HD1 ILE 38 2HD1 ILE 38 32.639 -26.998 11.010 304 3HD1 ILE 38 1HD1 ILE 38 32.553 -28.087 9.626 305 H ASN 39 H ASN 39 28.469 -30.409 14.636 306 HA ASN 39 HA ASN 39 26.225 -31.760 13.506 307 1HB ASN 39 2HB ASN 39 26.673 -31.711 15.919 308 2HB ASN 39 1HB ASN 39 26.352 -29.981 15.955 309 1HD2 ASN 39 1HD2 ASN 39 24.646 -32.812 14.473 310 2HD2 ASN 39 2HD2 ASN 39 23.125 -32.405 15.097 311 H LYS 40 H LYS 40 26.449 -28.333 14.524 312 HA LYS 40 HA LYS 40 24.026 -27.398 13.699 313 1HB LYS 40 2HB LYS 40 26.654 -26.013 13.118 314 2HB LYS 40 1HB LYS 40 25.077 -25.231 13.225 315 1HG LYS 40 2HG LYS 40 24.875 -25.998 15.576 316 2HG LYS 40 1HG LYS 40 26.479 -26.723 15.464 317 1HD LYS 40 2HD LYS 40 27.459 -24.518 14.995 318 2HD LYS 40 1HD LYS 40 25.858 -23.781 15.062 319 1HE LYS 40 2HE LYS 40 26.758 -23.404 17.220 320 2HE LYS 40 1HE LYS 40 25.702 -24.800 17.433 321 1HZ LYS 40 1HZ LYS 40 27.937 -26.033 16.782 322 2HZ LYS 40 3HZ LYS 40 28.612 -24.645 17.484 323 3HZ LYS 40 2HZ LYS 40 27.559 -25.625 18.387 324 H CYS 41 H CYS 41 26.807 -27.420 11.459 325 HA CYS 41 HA CYS 41 25.137 -26.918 9.170 326 1HB CYS 41 2HB CYS 41 27.097 -26.930 7.961 327 2HB CYS 41 1HB CYS 41 27.770 -26.717 9.570 328 H ALA 42 H ALA 42 26.396 -29.833 10.683 329 HA ALA 42 HA ALA 42 25.565 -31.666 8.642 330 1HB ALA 42 1HB ALA 42 27.193 -32.296 10.355 331 2HB ALA 42 3HB ALA 42 25.969 -32.109 11.611 332 3HB ALA 42 2HB ALA 42 25.810 -33.389 10.409 333 H THR 43 H THR 43 23.839 -30.246 11.405 334 HA THR 43 HA THR 43 21.511 -31.992 10.775 335 HB THR 43 HB THR 43 20.912 -30.166 12.882 336 HG1 THR 43 HG1 THR 43 22.753 -29.926 13.820 337 1HG2 THR 43 1HG2 THR 43 20.364 -32.708 12.348 338 2HG2 THR 43 3HG2 THR 43 21.759 -32.991 13.388 339 3HG2 THR 43 2HG2 THR 43 20.361 -32.113 14.008 340 H CYS 44 H CYS 44 22.510 -28.594 10.867 341 HA CYS 44 HA CYS 44 20.012 -27.412 10.253 342 1HB CYS 44 2HB CYS 44 22.066 -26.125 10.834 343 2HB CYS 44 1HB CYS 44 22.749 -26.547 9.264 344 H LYS 45 H LYS 45 22.485 -28.844 8.128 345 HA LYS 45 HA LYS 45 21.380 -28.171 5.627 346 1HB LYS 45 2HB LYS 45 23.540 -29.408 5.989 347 2HB LYS 45 1HB LYS 45 22.598 -30.854 6.350 348 1HG LYS 45 2HG LYS 45 21.541 -30.709 4.112 349 2HG LYS 45 1HG LYS 45 22.520 -29.286 3.753 350 1HD LYS 45 2HD LYS 45 24.575 -30.665 4.135 351 2HD LYS 45 1HD LYS 45 23.543 -32.081 4.341 352 1HE LYS 45 2HE LYS 45 23.486 -30.336 1.866 353 2HE LYS 45 1HE LYS 45 24.490 -31.779 2.005 354 1HZ LYS 45 2HZ LYS 45 21.650 -32.002 2.677 355 2HZ LYS 45 1HZ LYS 45 22.072 -31.891 1.035 356 3HZ LYS 45 3HZ LYS 45 22.694 -33.150 1.986 357 H MET 46 H MET 46 20.567 -30.906 7.769 358 HA MET 46 HA MET 46 18.461 -31.870 6.004 359 1HB MET 46 2HB MET 46 19.034 -32.454 8.928 360 2HB MET 46 1HB MET 46 17.868 -33.326 7.932 361 1HG MET 46 2HG MET 46 20.844 -33.115 7.375 362 2HG MET 46 1HG MET 46 20.029 -34.528 8.046 363 1HE MET 46 3HE MET 46 17.904 -35.210 7.213 364 2HE MET 46 2HE MET 46 17.124 -34.456 5.824 365 3HE MET 46 1HE MET 46 17.916 -36.019 5.640 366 H ILE 47 H ILE 47 18.691 -29.662 8.726 367 HA ILE 47 HA ILE 47 15.815 -29.476 9.133 368 HB ILE 47 HB ILE 47 18.094 -27.678 10.014 369 1HG1 ILE 47 2HG1 ILE 47 18.290 -29.823 11.061 370 2HG1 ILE 47 1HG1 ILE 47 17.520 -28.770 12.247 371 1HG2 ILE 47 3HG2 ILE 47 15.129 -27.578 10.428 372 2HG2 ILE 47 2HG2 ILE 47 16.184 -27.095 11.757 373 3HG2 ILE 47 1HG2 ILE 47 16.273 -26.253 10.209 374 1HD1 ILE 47 3HD1 ILE 47 15.297 -29.651 11.121 375 2HD1 ILE 47 2HD1 ILE 47 16.327 -30.994 10.626 376 3HD1 ILE 47 1HD1 ILE 47 16.120 -30.626 12.339 377 H LEU 48 H LEU 48 18.166 -27.933 7.058 378 HA LEU 48 HA LEU 48 16.433 -25.673 6.391 379 1HB LEU 48 2HB LEU 48 18.967 -26.765 5.135 380 2HB LEU 48 1HB LEU 48 18.126 -25.337 4.534 381 HG LEU 48 HG LEU 48 19.413 -25.726 7.243 382 1HD1 LEU 48 3HD1 LEU 48 20.553 -24.852 4.984 383 2HD1 LEU 48 2HD1 LEU 48 19.803 -23.340 5.495 384 3HD1 LEU 48 1HD1 LEU 48 20.953 -24.154 6.554 385 1HD2 LEU 48 2HD2 LEU 48 17.489 -23.590 6.294 386 2HD2 LEU 48 1HD2 LEU 48 17.308 -24.652 7.691 387 3HD2 LEU 48 3HD2 LEU 48 18.539 -23.390 7.697 388 H GLU 49 H GLU 49 16.999 -28.915 5.196 389 HA GLU 49 HA GLU 49 15.735 -28.549 2.626 390 1HB GLU 49 2HB GLU 49 16.193 -31.020 4.322 391 2HB GLU 49 1HB GLU 49 15.542 -31.063 2.684 392 1HG GLU 49 2HG GLU 49 17.575 -29.954 1.840 393 2HG GLU 49 1HG GLU 49 18.223 -29.885 3.479 394 H LYS 50 H LYS 50 14.566 -29.286 5.863 395 HA LYS 50 HA LYS 50 11.966 -30.217 5.199 396 1HB LYS 50 2HB LYS 50 12.876 -28.565 7.576 397 2HB LYS 50 1HB LYS 50 11.325 -29.399 7.466 398 1HG LYS 50 2HG LYS 50 12.541 -31.552 7.157 399 2HG LYS 50 1HG LYS 50 14.067 -30.694 7.367 400 1HD LYS 50 2HD LYS 50 13.292 -29.942 9.617 401 2HD LYS 50 1HD LYS 50 11.830 -30.906 9.405 402 1HE LYS 50 2HE LYS 50 13.809 -32.725 8.807 403 2HE LYS 50 1HE LYS 50 14.564 -31.766 10.080 404 1HZ LYS 50 3HZ LYS 50 12.066 -32.124 11.020 405 2HZ LYS 50 2HZ LYS 50 12.347 -33.600 10.226 406 3HZ LYS 50 1HZ LYS 50 13.405 -33.073 11.447 407 H GLU 51 H GLU 51 13.274 -26.938 5.449 408 HA GLU 51 HA GLU 51 10.822 -25.506 5.309 409 1HB GLU 51 2HB GLU 51 13.559 -24.786 4.215 410 2HB GLU 51 1HB GLU 51 12.213 -23.656 4.363 411 1HG GLU 51 2HG GLU 51 12.136 -24.121 6.810 412 2HG GLU 51 1HG GLU 51 13.543 -25.169 6.632 413 H ALA 52 H ALA 52 12.792 -27.019 2.796 414 HA ALA 52 HA ALA 52 11.470 -25.855 0.541 415 1HB ALA 52 2HB ALA 52 12.940 -28.473 0.921 416 2HB ALA 52 1HB ALA 52 12.287 -27.971 -0.639 417 3HB ALA 52 3HB ALA 52 13.532 -27.002 0.149 418 H LYS 53 H LYS 53 10.597 -28.458 2.711 419 HA LYS 53 HA LYS 53 8.652 -29.768 1.094 420 1HB LYS 53 2HB LYS 53 8.723 -29.359 4.100 421 2HB LYS 53 1HB LYS 53 7.653 -30.486 3.266 422 1HG LYS 53 2HG LYS 53 9.658 -31.617 2.302 423 2HG LYS 53 1HG LYS 53 10.686 -30.538 3.246 424 1HD LYS 53 2HD LYS 53 9.564 -31.366 5.323 425 2HD LYS 53 1HD LYS 53 8.665 -32.519 4.337 426 1HE LYS 53 2HE LYS 53 11.325 -32.859 3.545 427 2HE LYS 53 1HE LYS 53 11.413 -32.663 5.295 428 1HZ LYS 53 1HZ LYS 53 9.243 -34.340 4.481 429 2HZ LYS 53 3HZ LYS 53 10.743 -34.946 3.973 430 3HZ LYS 53 2HZ LYS 53 10.469 -34.632 5.620 431 H SER 54 H SER 54 8.518 -26.796 2.981 432 HA SER 54 HA SER 54 5.695 -26.440 3.022 433 1HB SER 54 2HB SER 54 7.802 -24.273 2.769 434 2HB SER 54 1HB SER 54 6.166 -24.082 3.398 435 HG SER 54 HG SER 54 8.371 -25.411 4.523 436 H GLN 55 H GLN 55 8.061 -25.980 0.479 437 HA GLN 55 HA GLN 55 5.837 -25.090 -1.316 438 1HB GLN 55 2HB GLN 55 8.777 -24.349 -1.399 439 2HB GLN 55 1HB GLN 55 7.617 -23.947 -2.666 440 1HG GLN 55 2HG GLN 55 6.263 -22.689 -1.035 441 2HG GLN 55 1HG GLN 55 7.407 -23.103 0.242 442 1HE2 GLN 55 1HE2 GLN 55 6.897 -20.371 -0.471 443 2HE2 GLN 55 2HE2 GLN 55 8.304 -19.729 -1.172 No H/Q in entry = 443
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