NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
5198 | 1gm0 | 4849 | cing | 1-original | 1 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H SER 1 H SER 1 10.994 24.185 14.110 2 HA SER 1 HA SER 1 10.466 22.122 12.862 3 1HB SER 1 1HB SER 1 9.397 22.382 15.702 4 2HB SER 1 2HB SER 1 9.333 20.859 14.815 5 HG SER 1 HG SER 1 11.612 22.305 15.647 6 H GLN 2 H GLN 2 8.693 20.496 12.447 7 HA GLN 2 HA GLN 2 5.990 21.588 12.870 8 1HB GLN 2 1HB GLN 2 7.114 20.208 10.455 9 2HB GLN 2 2HB GLN 2 5.573 19.585 11.025 10 1HG GLN 2 1HG GLN 2 6.133 22.488 10.346 11 2HG GLN 2 2HG GLN 2 5.257 21.323 9.337 12 1HE2 GLN 2 1HE2 GLN 2 4.008 23.599 9.856 13 2HE2 GLN 2 2HE2 GLN 2 2.788 23.479 11.107 14 H GLU 3 H GLU 3 4.515 20.054 13.423 15 HA GLU 3 HA GLU 3 5.472 17.572 14.721 16 1HB GLU 3 1HB GLU 3 4.083 18.208 16.690 17 2HB GLU 3 2HB GLU 3 5.421 19.314 16.414 18 1HG GLU 3 1HG GLU 3 2.935 20.185 15.034 19 2HG GLU 3 2HG GLU 3 2.736 20.012 16.768 20 H VAL 4 H VAL 4 4.347 17.827 12.255 21 HA VAL 4 HA VAL 4 2.012 16.064 12.633 22 HB VAL 4 HB VAL 4 2.021 18.083 10.376 23 1HG1 VAL 4 1HG1 VAL 4 0.746 15.876 10.156 24 2HG1 VAL 4 2HG1 VAL 4 -0.183 16.326 11.593 25 3HG1 VAL 4 3HG1 VAL 4 -0.301 17.306 10.117 26 1HG2 VAL 4 1HG2 VAL 4 0.617 18.236 13.065 27 2HG2 VAL 4 2HG2 VAL 4 1.720 19.438 12.356 28 3HG2 VAL 4 3HG2 VAL 4 0.121 19.175 11.661 29 H MET 5 H MET 5 4.057 14.883 12.696 30 HA MET 5 HA MET 5 4.632 13.632 10.131 31 1HB MET 5 1HB MET 5 6.784 14.484 12.132 32 2HB MET 5 2HB MET 5 6.987 13.429 10.716 33 1HG MET 5 1HG MET 5 5.942 15.417 9.415 34 2HG MET 5 2HG MET 5 6.411 16.379 10.803 35 1HE MET 5 1HE MET 5 7.652 13.992 7.944 36 2HE MET 5 2HE MET 5 9.419 14.177 8.000 37 3HE MET 5 3HE MET 5 8.590 13.260 9.265 38 H LYS 6 H LYS 6 2.778 12.884 12.008 39 HA LYS 6 HA LYS 6 3.824 11.192 14.055 40 1HB LYS 6 1HB LYS 6 1.504 10.467 14.380 41 2HB LYS 6 2HB LYS 6 1.776 12.192 14.504 42 1HG LYS 6 1HG LYS 6 1.043 12.430 12.191 43 2HG LYS 6 2HG LYS 6 0.590 10.709 12.132 44 1HD LYS 6 1HD LYS 6 -0.911 11.116 14.136 45 2HD LYS 6 2HD LYS 6 -0.554 12.851 13.983 46 1HE LYS 6 1HE LYS 6 -1.457 12.745 11.626 47 2HE LYS 6 2HE LYS 6 -1.950 11.071 11.935 48 1HZ LYS 6 1HZ LYS 6 -2.851 13.454 13.433 49 2HZ LYS 6 2HZ LYS 6 -3.738 12.661 12.306 50 3HZ LYS 6 3HZ LYS 6 -3.371 11.927 13.744 51 H ASN 7 H ASN 7 2.861 8.843 14.093 52 HA ASN 7 HA ASN 7 3.972 7.145 12.168 53 1HB ASN 7 1HB ASN 7 3.089 6.180 14.205 54 2HB ASN 7 2HB ASN 7 1.497 6.899 13.864 55 1HD2 ASN 7 1HD2 ASN 7 0.065 5.961 12.392 56 2HD2 ASN 7 2HD2 ASN 7 0.385 4.417 11.607 57 H LEU 8 H LEU 8 3.185 6.208 10.345 58 HA LEU 8 HA LEU 8 2.538 6.339 8.249 59 1HB LEU 8 1HB LEU 8 0.849 5.092 9.270 60 2HB LEU 8 2HB LEU 8 -0.120 6.480 9.669 61 HG LEU 8 HG LEU 8 -0.861 5.028 7.747 62 1HD1 LEU 8 1HD1 LEU 8 -1.632 7.359 8.286 63 2HD1 LEU 8 2HD1 LEU 8 -0.506 7.948 7.043 64 3HD1 LEU 8 3HD1 LEU 8 -1.843 6.881 6.598 65 1HD2 LEU 8 1HD2 LEU 8 1.601 5.114 6.703 66 2HD2 LEU 8 2HD2 LEU 8 0.188 4.946 5.723 67 3HD2 LEU 8 3HD2 LEU 8 0.955 6.549 5.887 68 H SER 9 H SER 9 3.426 7.882 7.204 69 HA SER 9 HA SER 9 2.881 10.708 7.537 70 1HB SER 9 1HB SER 9 4.457 9.234 5.375 71 2HB SER 9 2HB SER 9 4.609 10.927 5.851 72 HG SER 9 HG SER 9 5.339 10.206 7.899 73 H LEU 10 H LEU 10 2.157 8.108 5.207 74 HA LEU 10 HA LEU 10 1.243 9.841 3.180 75 1HB LEU 10 1HB LEU 10 0.787 6.909 3.643 76 2HB LEU 10 2HB LEU 10 0.127 7.720 2.238 77 HG LEU 10 HG LEU 10 2.999 7.031 2.882 78 1HD1 LEU 10 1HD1 LEU 10 1.697 5.428 1.594 79 2HD1 LEU 10 2HD1 LEU 10 1.356 6.661 0.357 80 3HD1 LEU 10 3HD1 LEU 10 3.011 6.101 0.647 81 1HD2 LEU 10 1HD2 LEU 10 2.056 9.176 0.897 82 2HD2 LEU 10 2HD2 LEU 10 3.233 9.364 2.220 83 3HD2 LEU 10 3HD2 LEU 10 3.636 8.389 0.806 84 H ASN 11 H ASN 11 -0.710 10.749 2.582 85 HA ASN 11 HA ASN 11 -2.670 10.827 4.713 86 1HB ASN 11 1HB ASN 11 -1.987 12.776 3.199 87 2HB ASN 11 2HB ASN 11 -3.048 12.101 1.994 88 1HD2 ASN 11 1HD2 ASN 11 -3.234 14.644 3.616 89 2HD2 ASN 11 2HD2 ASN 11 -4.767 14.594 4.441 90 H PHE 12 H PHE 12 -2.831 8.327 4.355 91 HA PHE 12 HA PHE 12 -4.465 7.264 2.309 92 1HB PHE 12 1HB PHE 12 -3.713 6.397 5.109 93 2HB PHE 12 2HB PHE 12 -4.893 5.498 4.182 94 HD1 PHE 12 HD1 PHE 12 -1.376 5.985 4.704 95 HD2 PHE 12 HD2 PHE 12 -4.284 4.743 1.795 96 HE1 PHE 12 HE1 PHE 12 0.414 4.798 3.423 97 HE2 PHE 12 HE2 PHE 12 -2.491 3.650 0.476 98 HZ PHE 12 HZ PHE 12 -0.141 3.658 1.313 99 H GLY 13 H GLY 13 -5.407 8.959 5.286 100 1HA GLY 13 1HA GLY 13 -7.500 9.655 6.008 101 2HA GLY 13 2HA GLY 13 -8.002 8.025 5.531 102 H LYS 14 H LYS 14 -7.098 11.026 3.728 103 HA LYS 14 HA LYS 14 -9.736 11.426 2.680 104 1HB LYS 14 1HB LYS 14 -7.112 12.660 2.507 105 2HB LYS 14 2HB LYS 14 -7.733 12.496 0.875 106 1HG LYS 14 1HG LYS 14 -9.512 13.646 3.001 107 2HG LYS 14 2HG LYS 14 -8.315 14.668 2.212 108 1HD LYS 14 1HD LYS 14 -10.252 12.983 0.586 109 2HD LYS 14 2HD LYS 14 -10.721 14.559 1.243 110 1HE LYS 14 1HE LYS 14 -9.011 15.706 0.018 111 2HE LYS 14 2HE LYS 14 -8.235 14.207 -0.494 112 1HZ LYS 14 1HZ LYS 14 -11.017 14.811 -1.255 113 2HZ LYS 14 2HZ LYS 14 -9.794 15.417 -2.126 114 3HZ LYS 14 3HZ LYS 14 -9.989 13.794 -2.025 115 H ALA 15 H ALA 15 -6.833 9.918 1.293 116 HA ALA 15 HA ALA 15 -7.823 9.406 -1.273 117 1HB ALA 15 1HB ALA 15 -5.932 7.621 0.358 118 2HB ALA 15 2HB ALA 15 -6.013 7.768 -1.414 119 3HB ALA 15 3HB ALA 15 -5.447 9.124 -0.431 120 H LEU 16 H LEU 16 -7.965 7.224 1.652 121 HA LEU 16 HA LEU 16 -9.469 5.113 0.466 122 1HB LEU 16 1HB LEU 16 -9.185 6.135 3.325 123 2HB LEU 16 2HB LEU 16 -10.226 4.783 2.950 124 HG LEU 16 HG LEU 16 -7.298 4.759 2.147 125 1HD1 LEU 16 1HD1 LEU 16 -7.437 5.086 4.603 126 2HD1 LEU 16 2HD1 LEU 16 -8.529 3.678 4.718 127 3HD1 LEU 16 3HD1 LEU 16 -6.856 3.463 4.173 128 1HD2 LEU 16 1HD2 LEU 16 -8.809 3.008 1.126 129 2HD2 LEU 16 2HD2 LEU 16 -7.607 2.316 2.240 130 3HD2 LEU 16 3HD2 LEU 16 -9.267 2.509 2.779 131 H ASP 17 H ASP 17 -10.472 8.107 2.200 132 HA ASP 17 HA ASP 17 -13.262 7.662 2.159 133 1HB ASP 17 1HB ASP 17 -12.002 9.418 3.476 134 2HB ASP 17 2HB ASP 17 -11.830 10.337 1.992 135 H GLU 18 H GLU 18 -11.134 8.557 -0.503 136 HA GLU 18 HA GLU 18 -13.480 9.104 -2.232 137 1HB GLU 18 1HB GLU 18 -10.501 8.889 -2.906 138 2HB GLU 18 2HB GLU 18 -11.804 9.191 -4.048 139 1HG GLU 18 1HG GLU 18 -12.452 11.221 -2.724 140 2HG GLU 18 2HG GLU 18 -10.981 10.948 -1.790 141 H CYS 19 H CYS 19 -10.912 6.558 -1.962 142 HA CYS 19 HA CYS 19 -11.920 4.977 -4.045 143 1HB CYS 19 1HB CYS 19 -10.059 4.598 -1.769 144 2HB CYS 19 2HB CYS 19 -10.744 3.130 -2.402 145 H LYS 20 H LYS 20 -12.922 4.970 -0.623 146 HA LYS 20 HA LYS 20 -14.693 2.756 -0.750 147 1HB LYS 20 1HB LYS 20 -15.760 3.684 1.226 148 2HB LYS 20 2HB LYS 20 -14.015 3.858 1.334 149 1HG LYS 20 1HG LYS 20 -14.544 5.921 2.048 150 2HG LYS 20 2HG LYS 20 -14.478 6.256 0.329 151 1HD LYS 20 1HD LYS 20 -16.391 7.349 0.949 152 2HD LYS 20 2HD LYS 20 -17.084 5.807 0.384 153 1HE LYS 20 1HE LYS 20 -16.587 5.253 3.039 154 2HE LYS 20 2HE LYS 20 -16.768 6.999 3.144 155 1HZ LYS 20 1HZ LYS 20 -18.987 6.570 1.951 156 2HZ LYS 20 2HZ LYS 20 -18.742 4.984 2.332 157 3HZ LYS 20 3HZ LYS 20 -18.855 6.076 3.528 158 H LYS 21 H LYS 21 -15.088 6.043 -2.112 159 HA LYS 21 HA LYS 21 -17.886 5.513 -2.699 160 1HB LYS 21 1HB LYS 21 -16.233 7.823 -3.741 161 2HB LYS 21 2HB LYS 21 -17.982 7.693 -3.600 162 1HG LYS 21 1HG LYS 21 -17.736 7.773 -1.103 163 2HG LYS 21 2HG LYS 21 -15.996 7.925 -1.322 164 1HD LYS 21 1HD LYS 21 -16.267 10.002 -2.566 165 2HD LYS 21 2HD LYS 21 -18.039 9.895 -2.452 166 1HE LYS 21 1HE LYS 21 -16.156 10.013 -0.054 167 2HE LYS 21 2HE LYS 21 -16.900 11.441 -0.779 168 1HZ LYS 21 1HZ LYS 21 -19.085 10.488 -0.257 169 2HZ LYS 21 2HZ LYS 21 -18.383 9.199 0.459 170 3HZ LYS 21 3HZ LYS 21 -18.180 10.729 1.055 171 H GLU 22 H GLU 22 -14.668 5.508 -4.261 172 HA GLU 22 HA GLU 22 -15.579 5.600 -6.970 173 1HB GLU 22 1HB GLU 22 -13.003 4.398 -5.879 174 2HB GLU 22 2HB GLU 22 -13.362 4.698 -7.582 175 1HG GLU 22 1HG GLU 22 -13.696 7.141 -7.036 176 2HG GLU 22 2HG GLU 22 -13.141 6.793 -5.412 177 H MET 23 H MET 23 -14.747 2.829 -4.822 178 HA MET 23 HA MET 23 -15.795 0.972 -6.840 179 1HB MET 23 1HB MET 23 -15.088 0.048 -4.110 180 2HB MET 23 2HB MET 23 -14.832 -0.702 -5.636 181 1HG MET 23 1HG MET 23 -13.110 1.526 -5.668 182 2HG MET 23 2HG MET 23 -13.062 0.914 -4.037 183 1HE MET 23 1HE MET 23 -12.982 -0.271 -7.833 184 2HE MET 23 2HE MET 23 -11.597 0.785 -7.482 185 3HE MET 23 3HE MET 23 -11.329 -0.924 -7.870 186 H THR 24 H THR 24 -17.123 2.825 -4.289 187 HA THR 24 HA THR 24 -18.768 2.594 -2.763 188 HB THR 24 HB THR 24 -20.080 1.214 -5.115 189 HG1 THR 24 HG1 THR 24 -19.536 3.175 -5.717 190 1HG2 THR 24 1HG2 THR 24 -21.241 2.509 -2.619 191 2HG2 THR 24 2HG2 THR 24 -22.177 2.110 -4.086 192 3HG2 THR 24 3HG2 THR 24 -21.418 0.824 -3.137 193 H LEU 25 H LEU 25 -17.230 1.481 -1.578 194 HA LEU 25 HA LEU 25 -17.257 -1.460 -1.265 195 1HB LEU 25 1HB LEU 25 -15.775 0.714 0.268 196 2HB LEU 25 2HB LEU 25 -15.464 -0.997 0.416 197 HG LEU 25 HG LEU 25 -14.863 0.602 -2.104 198 1HD1 LEU 25 1HD1 LEU 25 -13.541 1.072 0.117 199 2HD1 LEU 25 2HD1 LEU 25 -12.858 -0.543 -0.131 200 3HD1 LEU 25 3HD1 LEU 25 -12.658 0.722 -1.350 201 1HD2 LEU 25 1HD2 LEU 25 -14.121 -2.249 -1.272 202 2HD2 LEU 25 2HD2 LEU 25 -15.293 -1.824 -2.533 203 3HD2 LEU 25 3HD2 LEU 25 -13.582 -1.408 -2.737 204 H THR 26 H THR 26 -16.927 -1.877 1.320 205 HA THR 26 HA THR 26 -19.183 -0.992 2.941 206 HB THR 26 HB THR 26 -17.557 -2.196 4.682 207 HG1 THR 26 HG1 THR 26 -16.807 -3.779 2.508 208 1HG2 THR 26 1HG2 THR 26 -19.771 -3.034 4.001 209 2HG2 THR 26 2HG2 THR 26 -19.058 -3.763 2.542 210 3HG2 THR 26 3HG2 THR 26 -18.599 -4.344 4.157 211 H ASP 27 H ASP 27 -18.255 -0.133 5.278 212 HA ASP 27 HA ASP 27 -16.462 2.190 4.625 213 1HB ASP 27 1HB ASP 27 -18.927 2.524 5.459 214 2HB ASP 27 2HB ASP 27 -18.262 2.042 7.023 215 H ALA 28 H ALA 28 -16.863 -0.595 6.557 216 HA ALA 28 HA ALA 28 -15.163 -0.380 8.693 217 1HB ALA 28 1HB ALA 28 -15.260 -2.673 6.676 218 2HB ALA 28 2HB ALA 28 -14.564 -2.751 8.305 219 3HB ALA 28 3HB ALA 28 -16.305 -2.483 8.103 220 H ILE 29 H ILE 29 -14.187 -0.613 5.322 221 HA ILE 29 HA ILE 29 -11.476 -1.027 5.223 222 HB ILE 29 HB ILE 29 -11.503 -0.038 3.152 223 1HG1 ILE 29 1HG1 ILE 29 -13.760 1.270 2.480 224 2HG1 ILE 29 2HG1 ILE 29 -13.750 1.691 4.195 225 1HG2 ILE 29 1HG2 ILE 29 -12.878 -2.095 3.434 226 2HG2 ILE 29 2HG2 ILE 29 -14.344 -1.080 3.525 227 3HG2 ILE 29 3HG2 ILE 29 -13.353 -1.080 2.069 228 1HD1 ILE 29 1HD1 ILE 29 -11.268 2.327 3.806 229 2HD1 ILE 29 2HD1 ILE 29 -11.633 2.218 2.084 230 3HD1 ILE 29 3HD1 ILE 29 -12.494 3.408 3.097 231 H ASN 30 H ASN 30 -12.951 1.948 6.451 232 HA ASN 30 HA ASN 30 -10.471 3.411 6.253 233 1HB ASN 30 1HB ASN 30 -12.986 4.169 6.474 234 2HB ASN 30 2HB ASN 30 -12.663 4.117 8.198 235 1HD2 ASN 30 1HD2 ASN 30 -13.328 6.504 7.495 236 2HD2 ASN 30 2HD2 ASN 30 -11.971 7.570 7.106 237 H GLU 31 H GLU 31 -11.634 1.150 8.484 238 HA GLU 31 HA GLU 31 -9.206 1.576 10.203 239 1HB GLU 31 1HB GLU 31 -11.666 -0.151 10.710 240 2HB GLU 31 2HB GLU 31 -10.125 -0.368 11.525 241 1HG GLU 31 1HG GLU 31 -10.409 2.260 12.019 242 2HG GLU 31 2HG GLU 31 -12.118 1.829 11.859 243 H ASP 32 H ASP 32 -11.089 -0.898 8.426 244 HA ASP 32 HA ASP 32 -9.550 -3.041 8.896 245 1HB ASP 32 1HB ASP 32 -11.798 -2.607 7.430 246 2HB ASP 32 2HB ASP 32 -10.688 -3.067 6.154 247 H PHE 33 H PHE 33 -8.893 -0.621 6.455 248 HA PHE 33 HA PHE 33 -6.892 -1.978 4.907 249 1HB PHE 33 1HB PHE 33 -8.089 0.039 4.152 250 2HB PHE 33 2HB PHE 33 -7.407 0.973 5.471 251 HD1 PHE 33 HD1 PHE 33 -6.407 -0.944 2.406 252 HD2 PHE 33 HD2 PHE 33 -5.247 1.994 5.345 253 HE1 PHE 33 HE1 PHE 33 -4.410 -0.363 1.048 254 HE2 PHE 33 HE2 PHE 33 -3.243 2.536 4.009 255 HZ PHE 33 HZ PHE 33 -2.797 1.340 1.875 256 H TYR 34 H TYR 34 -6.678 0.255 7.674 257 HA TYR 34 HA TYR 34 -3.764 0.201 7.886 258 1HB TYR 34 1HB TYR 34 -5.900 0.986 9.929 259 2HB TYR 34 2HB TYR 34 -4.186 1.294 10.055 260 HD1 TYR 34 HD1 TYR 34 -7.274 2.115 8.106 261 HD2 TYR 34 HD2 TYR 34 -3.213 3.285 9.025 262 HE1 TYR 34 HE1 TYR 34 -7.635 4.224 6.916 263 HE2 TYR 34 HE2 TYR 34 -3.601 5.460 7.896 264 HH TYR 34 HH TYR 34 -6.781 6.497 6.928 265 H ASN 35 H ASN 35 -6.581 -1.304 9.443 266 HA ASN 35 HA ASN 35 -5.309 -2.781 11.422 267 1HB ASN 35 1HB ASN 35 -7.824 -3.504 9.904 268 2HB ASN 35 2HB ASN 35 -7.253 -4.344 11.329 269 1HD2 ASN 35 1HD2 ASN 35 -9.535 -3.641 11.996 270 2HD2 ASN 35 2HD2 ASN 35 -9.424 -2.283 13.124 271 H PHE 36 H PHE 36 -5.582 -3.575 7.970 272 HA PHE 36 HA PHE 36 -4.963 -6.206 7.834 273 1HB PHE 36 1HB PHE 36 -5.224 -4.639 5.931 274 2HB PHE 36 2HB PHE 36 -3.610 -4.025 6.238 275 HD1 PHE 36 HD1 PHE 36 -4.210 -7.733 6.461 276 HD2 PHE 36 HD2 PHE 36 -2.901 -4.454 3.971 277 HE1 PHE 36 HE1 PHE 36 -3.385 -9.328 4.803 278 HE2 PHE 36 HE2 PHE 36 -1.993 -6.075 2.350 279 HZ PHE 36 HZ PHE 36 -2.275 -8.525 2.725 280 H TRP 37 H TRP 37 -2.747 -3.576 8.758 281 HA TRP 37 HA TRP 37 -0.329 -5.111 8.616 282 1HB TRP 37 1HB TRP 37 -0.866 -2.538 10.120 283 2HB TRP 37 2HB TRP 37 0.655 -3.107 9.466 284 HD1 TRP 37 HD1 TRP 37 -0.782 -3.818 6.526 285 HE1 TRP 37 HE1 TRP 37 -1.428 -1.909 4.949 286 HE3 TRP 37 HE3 TRP 37 -0.674 0.069 9.851 287 HZ2 TRP 37 HZ2 TRP 37 -1.862 0.916 5.109 288 HZ3 TRP 37 HZ3 TRP 37 -1.137 2.373 9.104 289 HH2 TRP 37 HH2 TRP 37 -1.791 2.816 6.731 290 H LYS 38 H LYS 38 -2.763 -4.672 11.129 291 HA LYS 38 HA LYS 38 -1.153 -4.660 13.439 292 1HB LYS 38 1HB LYS 38 -4.009 -5.606 12.952 293 2HB LYS 38 2HB LYS 38 -3.310 -5.496 14.543 294 1HG LYS 38 1HG LYS 38 -2.999 -3.111 14.370 295 2HG LYS 38 2HG LYS 38 -3.536 -3.103 12.682 296 1HD LYS 38 1HD LYS 38 -5.737 -3.997 13.369 297 2HD LYS 38 2HD LYS 38 -5.236 -4.002 15.053 298 1HE LYS 38 1HE LYS 38 -5.288 -1.439 13.427 299 2HE LYS 38 2HE LYS 38 -6.754 -2.110 14.141 300 1HZ LYS 38 1HZ LYS 38 -5.738 -1.995 16.303 301 2HZ LYS 38 2HZ LYS 38 -4.365 -1.300 15.639 302 3HZ LYS 38 3HZ LYS 38 -5.821 -0.527 15.579 303 H GLU 39 H GLU 39 -0.272 -6.238 14.742 304 HA GLU 39 HA GLU 39 0.166 -8.856 13.792 305 1HB GLU 39 1HB GLU 39 0.289 -7.685 16.617 306 2HB GLU 39 2HB GLU 39 0.776 -9.331 16.222 307 1HG GLU 39 1HG GLU 39 2.768 -7.985 16.206 308 2HG GLU 39 2HG GLU 39 2.376 -8.524 14.568 309 H GLY 40 H GLY 40 -0.577 -10.833 14.580 310 1HA GLY 40 1HA GLY 40 -2.738 -11.214 16.356 311 2HA GLY 40 2HA GLY 40 -2.105 -12.412 15.234 312 H TYR 41 H TYR 41 -3.071 -9.885 13.292 313 HA TYR 41 HA TYR 41 -5.925 -10.356 13.384 314 1HB TYR 41 1HB TYR 41 -4.143 -8.209 13.304 315 2HB TYR 41 2HB TYR 41 -4.667 -8.271 11.671 316 HD1 TYR 41 HD1 TYR 41 -5.140 -6.848 14.670 317 HD2 TYR 41 HD2 TYR 41 -7.519 -8.718 11.646 318 HE1 TYR 41 HE1 TYR 41 -7.031 -5.372 15.278 319 HE2 TYR 41 HE2 TYR 41 -9.439 -7.294 12.218 320 HH TYR 41 HH TYR 41 -10.124 -5.420 13.434 321 H GLU 42 H GLU 42 -6.922 -11.598 11.844 322 HA GLU 42 HA GLU 42 -5.507 -12.141 9.267 323 1HB GLU 42 1HB GLU 42 -7.642 -13.576 10.859 324 2HB GLU 42 2HB GLU 42 -7.428 -13.877 9.140 325 1HG GLU 42 1HG GLU 42 -6.220 -15.540 10.409 326 2HG GLU 42 2HG GLU 42 -5.126 -14.569 9.453 327 H ILE 43 H ILE 43 -5.946 -10.260 8.037 328 HA ILE 43 HA ILE 43 -8.762 -9.508 7.607 329 HB ILE 43 HB ILE 43 -6.319 -7.994 6.734 330 1HG1 ILE 43 1HG1 ILE 43 -7.265 -6.432 8.506 331 2HG1 ILE 43 2HG1 ILE 43 -8.172 -7.745 9.157 332 1HG2 ILE 43 1HG2 ILE 43 -9.324 -7.442 6.776 333 2HG2 ILE 43 2HG2 ILE 43 -8.084 -6.226 6.392 334 3HG2 ILE 43 3HG2 ILE 43 -8.313 -7.621 5.336 335 1HD1 ILE 43 1HD1 ILE 43 -5.149 -7.959 8.860 336 2HD1 ILE 43 2HD1 ILE 43 -5.921 -7.092 10.214 337 3HD1 ILE 43 3HD1 ILE 43 -6.225 -8.805 9.955 338 H LYS 44 H LYS 44 -9.058 -11.512 6.549 339 HA LYS 44 HA LYS 44 -7.882 -11.831 3.841 340 1HB LYS 44 1HB LYS 44 -8.470 -14.154 4.015 341 2HB LYS 44 2HB LYS 44 -7.226 -13.598 5.155 342 1HG LYS 44 1HG LYS 44 -8.404 -14.112 6.973 343 2HG LYS 44 2HG LYS 44 -9.887 -13.421 6.331 344 1HD LYS 44 1HD LYS 44 -10.159 -15.808 6.756 345 2HD LYS 44 2HD LYS 44 -10.357 -15.410 5.031 346 1HE LYS 44 1HE LYS 44 -8.074 -16.097 4.555 347 2HE LYS 44 2HE LYS 44 -7.763 -16.413 6.259 348 1HZ LYS 44 1HZ LYS 44 -9.847 -17.830 4.724 349 2HZ LYS 44 2HZ LYS 44 -8.329 -18.430 4.949 350 3HZ LYS 44 3HZ LYS 44 -9.331 -18.184 6.240 351 H ASN 45 H ASN 45 -9.599 -9.889 3.855 352 HA ASN 45 HA ASN 45 -11.993 -11.129 2.648 353 1HB ASN 45 1HB ASN 45 -12.725 -10.139 4.847 354 2HB ASN 45 2HB ASN 45 -12.211 -8.550 4.229 355 1HD2 ASN 45 1HD2 ASN 45 -14.238 -7.478 3.730 356 2HD2 ASN 45 2HD2 ASN 45 -15.169 -8.064 2.376 357 H ARG 46 H ARG 46 -13.120 -9.546 1.152 358 HA ARG 46 HA ARG 46 -11.190 -9.208 -0.883 359 1HB ARG 46 1HB ARG 46 -14.009 -8.166 -1.114 360 2HB ARG 46 2HB ARG 46 -12.973 -8.837 -2.355 361 1HG ARG 46 1HG ARG 46 -13.279 -11.093 -1.400 362 2HG ARG 46 2HG ARG 46 -14.139 -10.425 -0.031 363 1HD ARG 46 1HD ARG 46 -15.954 -9.732 -1.179 364 2HD ARG 46 2HD ARG 46 -15.132 -9.775 -2.764 365 HE ARG 46 HE ARG 46 -15.117 -12.243 -2.631 366 1HH1 ARG 46 1HH1 ARG 46 -16.665 -14.067 -2.494 367 2HH1 ARG 46 2HH1 ARG 46 -18.277 -13.690 -1.994 368 1HH2 ARG 46 1HH2 ARG 46 -17.780 -10.333 -1.230 369 2HH2 ARG 46 2HH2 ARG 46 -18.901 -11.657 -1.277 370 H GLU 47 H GLU 47 -13.281 -6.802 0.878 371 HA GLU 47 HA GLU 47 -12.534 -4.687 -0.690 372 1HB GLU 47 1HB GLU 47 -13.518 -4.693 2.188 373 2HB GLU 47 2HB GLU 47 -13.288 -3.240 1.206 374 1HG GLU 47 1HG GLU 47 -15.422 -3.558 0.644 375 2HG GLU 47 2HG GLU 47 -14.736 -4.596 -0.590 376 H THR 48 H THR 48 -10.622 -5.837 2.139 377 HA THR 48 HA THR 48 -8.935 -3.500 2.071 378 HB THR 48 HB THR 48 -8.461 -6.330 3.071 379 HG1 THR 48 HG1 THR 48 -10.020 -5.303 4.215 380 1HG2 THR 48 1HG2 THR 48 -6.817 -3.817 3.622 381 2HG2 THR 48 2HG2 THR 48 -6.649 -5.397 4.427 382 3HG2 THR 48 3HG2 THR 48 -6.253 -5.235 2.715 383 H GLY 49 H GLY 49 -8.978 -6.450 0.116 384 1HA GLY 49 1HA GLY 49 -7.896 -6.935 -1.817 385 2HA GLY 49 2HA GLY 49 -6.509 -5.936 -1.312 386 H CYS 50 H CYS 50 -9.965 -5.005 -1.716 387 HA CYS 50 HA CYS 50 -9.584 -3.629 -4.179 388 1HB CYS 50 1HB CYS 50 -11.646 -3.038 -2.039 389 2HB CYS 50 2HB CYS 50 -11.697 -2.565 -3.705 390 H ALA 51 H ALA 51 -9.451 -2.521 -0.768 391 HA ALA 51 HA ALA 51 -9.105 0.221 -1.272 392 1HB ALA 51 1HB ALA 51 -8.080 0.317 0.993 393 2HB ALA 51 2HB ALA 51 -8.041 -1.463 1.029 394 3HB ALA 51 3HB ALA 51 -9.590 -0.607 0.974 395 H ILE 52 H ILE 52 -6.587 -2.347 -0.891 396 HA ILE 52 HA ILE 52 -4.344 -0.772 -1.524 397 HB ILE 52 HB ILE 52 -4.943 -3.713 -1.887 398 1HG1 ILE 52 1HG1 ILE 52 -3.276 -2.273 0.223 399 2HG1 ILE 52 2HG1 ILE 52 -4.968 -2.656 0.465 400 1HG2 ILE 52 1HG2 ILE 52 -3.060 -3.062 -3.376 401 2HG2 ILE 52 2HG2 ILE 52 -2.227 -2.314 -2.012 402 3HG2 ILE 52 3HG2 ILE 52 -2.500 -4.072 -2.056 403 1HD1 ILE 52 1HD1 ILE 52 -4.456 -5.081 0.101 404 2HD1 ILE 52 2HD1 ILE 52 -2.725 -4.644 0.114 405 3HD1 ILE 52 3HD1 ILE 52 -3.728 -4.343 1.544 406 H MET 53 H MET 53 -6.211 -2.889 -3.799 407 HA MET 53 HA MET 53 -4.873 -2.220 -6.145 408 1HB MET 53 1HB MET 53 -6.356 -4.149 -5.732 409 2HB MET 53 2HB MET 53 -7.724 -3.106 -5.576 410 1HG MET 53 1HG MET 53 -6.194 -2.985 -8.155 411 2HG MET 53 2HG MET 53 -7.058 -4.471 -7.796 412 1HE MET 53 1HE MET 53 -9.551 -4.619 -7.241 413 2HE MET 53 2HE MET 53 -9.794 -3.188 -6.207 414 3HE MET 53 3HE MET 53 -10.789 -3.397 -7.650 415 H CYS 54 H CYS 54 -7.394 -0.387 -4.574 416 HA CYS 54 HA CYS 54 -7.860 1.365 -6.918 417 1HB CYS 54 1HB CYS 54 -9.658 0.578 -5.457 418 2HB CYS 54 2HB CYS 54 -8.887 1.355 -4.073 419 H LEU 55 H LEU 55 -6.371 1.464 -3.623 420 HA LEU 55 HA LEU 55 -5.584 4.154 -3.703 421 1HB LEU 55 1HB LEU 55 -4.721 1.696 -2.152 422 2HB LEU 55 2HB LEU 55 -3.714 3.108 -2.069 423 HG LEU 55 HG LEU 55 -6.685 3.398 -1.547 424 1HD1 LEU 55 1HD1 LEU 55 -4.478 2.586 0.372 425 2HD1 LEU 55 2HD1 LEU 55 -6.003 3.306 0.900 426 3HD1 LEU 55 3HD1 LEU 55 -6.001 1.744 0.064 427 1HD2 LEU 55 1HD2 LEU 55 -5.169 5.359 -2.055 428 2HD2 LEU 55 2HD2 LEU 55 -5.890 5.424 -0.421 429 3HD2 LEU 55 3HD2 LEU 55 -4.189 4.916 -0.670 430 H SER 56 H SER 56 -4.167 1.274 -5.190 431 HA SER 56 HA SER 56 -1.553 2.177 -5.355 432 1HB SER 56 1HB SER 56 -1.214 0.388 -6.856 433 2HB SER 56 2HB SER 56 -2.404 -0.140 -5.710 434 HG SER 56 HG SER 56 -2.602 -0.454 -8.102 435 H THR 57 H THR 57 -4.267 3.501 -6.891 436 HA THR 57 HA THR 57 -2.500 5.005 -8.726 437 HB THR 57 HB THR 57 -3.695 3.226 -9.913 438 HG1 THR 57 HG1 THR 57 -3.195 5.547 -10.655 439 1HG2 THR 57 1HG2 THR 57 -5.825 3.198 -8.700 440 2HG2 THR 57 2HG2 THR 57 -6.221 4.812 -9.318 441 3HG2 THR 57 3HG2 THR 57 -6.068 3.437 -10.436 442 H LYS 58 H LYS 58 -3.328 5.476 -6.080 443 HA LYS 58 HA LYS 58 -4.606 8.173 -6.319 444 1HB LYS 58 1HB LYS 58 -4.925 5.968 -4.257 445 2HB LYS 58 2HB LYS 58 -5.316 7.608 -3.838 446 1HG LYS 58 1HG LYS 58 -6.510 6.602 -6.394 447 2HG LYS 58 2HG LYS 58 -7.199 5.957 -4.906 448 1HD LYS 58 1HD LYS 58 -7.597 8.148 -4.018 449 2HD LYS 58 2HD LYS 58 -6.832 8.874 -5.456 450 1HE LYS 58 1HE LYS 58 -9.108 6.910 -5.649 451 2HE LYS 58 2HE LYS 58 -9.397 8.612 -5.386 452 1HZ LYS 58 1HZ LYS 58 -8.098 9.022 -7.467 453 2HZ LYS 58 2HZ LYS 58 -8.009 7.400 -7.702 454 3HZ LYS 58 3HZ LYS 58 -9.479 8.107 -7.693 455 H LEU 59 H LEU 59 -1.715 7.224 -6.394 456 HA LEU 59 HA LEU 59 -0.370 7.795 -3.926 457 1HB LEU 59 1HB LEU 59 0.600 8.358 -6.737 458 2HB LEU 59 2HB LEU 59 1.590 8.083 -5.312 459 HG LEU 59 HG LEU 59 -0.217 6.041 -6.697 460 1HD1 LEU 59 1HD1 LEU 59 1.733 6.835 -8.006 461 2HD1 LEU 59 2HD1 LEU 59 2.810 6.164 -6.747 462 3HD1 LEU 59 3HD1 LEU 59 1.693 5.113 -7.664 463 1HD2 LEU 59 1HD2 LEU 59 1.838 5.595 -4.474 464 2HD2 LEU 59 2HD2 LEU 59 0.064 5.452 -4.316 465 3HD2 LEU 59 3HD2 LEU 59 0.951 4.341 -5.356 466 H ASN 60 H ASN 60 -1.513 9.815 -6.625 467 HA ASN 60 HA ASN 60 -0.470 12.302 -5.821 468 1HB ASN 60 1HB ASN 60 -2.141 13.321 -7.166 469 2HB ASN 60 2HB ASN 60 -1.521 11.919 -8.011 470 1HD2 ASN 60 1HD2 ASN 60 -3.079 10.520 -8.854 471 2HD2 ASN 60 2HD2 ASN 60 -4.775 10.569 -8.455 472 H MET 61 H MET 61 -2.955 10.502 -4.263 473 HA MET 61 HA MET 61 -4.125 12.821 -2.855 474 1HB MET 61 1HB MET 61 -4.571 9.808 -2.521 475 2HB MET 61 2HB MET 61 -5.495 11.067 -1.764 476 1HG MET 61 1HG MET 61 -5.317 10.546 -4.758 477 2HG MET 61 2HG MET 61 -6.652 10.129 -3.666 478 1HE MET 61 1HE MET 61 -7.855 11.803 -2.168 479 2HE MET 61 2HE MET 61 -6.561 13.002 -1.827 480 3HE MET 61 3HE MET 61 -8.080 13.504 -2.581 481 H LEU 62 H LEU 62 -1.948 10.007 -2.341 482 HA LEU 62 HA LEU 62 -1.865 10.201 0.534 483 1HB LEU 62 1HB LEU 62 -0.078 8.811 -1.511 484 2HB LEU 62 2HB LEU 62 -0.115 8.446 0.184 485 HG LEU 62 HG LEU 62 -2.453 8.109 -1.696 486 1HD1 LEU 62 1HD1 LEU 62 -0.562 6.615 -2.198 487 2HD1 LEU 62 2HD1 LEU 62 -0.690 5.938 -0.560 488 3HD1 LEU 62 3HD1 LEU 62 -2.041 5.769 -1.717 489 1HD2 LEU 62 1HD2 LEU 62 -2.076 7.232 1.183 490 2HD2 LEU 62 2HD2 LEU 62 -3.210 8.471 0.584 491 3HD2 LEU 62 3HD2 LEU 62 -3.441 6.786 0.147 492 H ASP 63 H ASP 63 0.261 11.096 -2.226 493 HA ASP 63 HA ASP 63 2.234 12.170 -0.606 494 1HB ASP 63 1HB ASP 63 3.373 11.678 -2.250 495 2HB ASP 63 2HB ASP 63 2.120 10.643 -2.786 496 HA PRO 64 HA PRO 64 0.341 16.159 -1.249 497 1HB PRO 64 1HB PRO 64 1.494 17.591 0.814 498 2HB PRO 64 2HB PRO 64 0.281 16.324 1.130 499 1HG PRO 64 1HG PRO 64 3.293 16.085 1.239 500 2HG PRO 64 2HG PRO 64 2.100 15.518 2.456 501 1HD PRO 64 1HD PRO 64 3.179 13.858 0.553 502 2HD PRO 64 2HD PRO 64 1.491 13.679 1.158 503 H GLU 65 H GLU 65 3.817 15.825 -0.847 504 HA GLU 65 HA GLU 65 4.487 18.261 -2.253 505 1HB GLU 65 1HB GLU 65 5.971 15.874 -1.149 506 2HB GLU 65 2HB GLU 65 6.765 17.121 -2.090 507 1HG GLU 65 1HG GLU 65 5.678 18.779 -0.395 508 2HG GLU 65 2HG GLU 65 5.430 17.358 0.612 509 H GLY 66 H GLY 66 3.405 15.108 -3.393 510 1HA GLY 66 1HA GLY 66 4.012 16.099 -6.039 511 2HA GLY 66 2HA GLY 66 3.330 14.519 -5.667 512 H ASN 67 H ASN 67 5.527 13.635 -4.027 513 HA ASN 67 HA ASN 67 8.025 13.468 -5.589 514 1HB ASN 67 1HB ASN 67 8.610 11.865 -3.608 515 2HB ASN 67 2HB ASN 67 8.524 13.595 -3.360 516 1HD2 ASN 67 1HD2 ASN 67 6.760 14.477 -2.465 517 2HD2 ASN 67 2HD2 ASN 67 5.870 13.659 -1.161 518 H LEU 68 H LEU 68 5.361 11.578 -4.425 519 HA LEU 68 HA LEU 68 6.514 8.979 -5.233 520 1HB LEU 68 1HB LEU 68 5.446 9.243 -3.027 521 2HB LEU 68 2HB LEU 68 3.942 9.732 -3.816 522 HG LEU 68 HG LEU 68 3.663 7.493 -4.796 523 1HD1 LEU 68 1HD1 LEU 68 6.239 6.814 -3.322 524 2HD1 LEU 68 2HD1 LEU 68 5.104 5.617 -3.974 525 3HD1 LEU 68 3HD1 LEU 68 5.939 6.720 -5.069 526 1HD2 LEU 68 1HD2 LEU 68 2.707 8.005 -2.575 527 2HD2 LEU 68 2HD2 LEU 68 3.208 6.311 -2.662 528 3HD2 LEU 68 3HD2 LEU 68 4.212 7.478 -1.787 529 H HIS 69 H HIS 69 6.191 8.219 -7.293 530 HA HIS 69 HA HIS 69 3.653 8.968 -8.673 531 1HB HIS 69 1HB HIS 69 6.342 8.680 -9.992 532 2HB HIS 69 2HB HIS 69 4.910 9.155 -10.767 533 HD1 HIS 69 HD1 HIS 69 3.985 11.747 -10.017 534 HD2 HIS 69 HD2 HIS 69 7.859 10.568 -8.858 535 HE1 HIS 69 HE1 HIS 69 5.248 13.880 -9.393 536 H HIS 70 H HIS 70 3.152 7.440 -10.432 537 HA HIS 70 HA HIS 70 3.030 4.773 -9.444 538 1HB HIS 70 1HB HIS 70 1.695 6.433 -11.308 539 2HB HIS 70 2HB HIS 70 2.521 5.278 -12.303 540 HD1 HIS 70 HD1 HIS 70 -0.304 5.022 -12.829 541 HD2 HIS 70 HD2 HIS 70 1.410 3.304 -9.380 542 HE1 HIS 70 HE1 HIS 70 -1.900 3.221 -12.040 543 H GLY 71 H GLY 71 4.629 3.260 -9.634 544 1HA GLY 71 1HA GLY 71 6.365 2.963 -11.819 545 2HA GLY 71 2HA GLY 71 6.563 2.253 -10.214 546 H ASN 72 H ASN 72 6.656 5.233 -9.108 547 HA ASN 72 HA ASN 72 9.570 5.344 -9.375 548 1HB ASN 72 1HB ASN 72 8.360 7.017 -11.114 549 2HB ASN 72 2HB ASN 72 8.196 7.991 -9.684 550 1HD2 ASN 72 1HD2 ASN 72 9.604 9.106 -11.569 551 2HD2 ASN 72 2HD2 ASN 72 11.301 9.169 -11.136 552 H ALA 73 H ALA 73 9.474 4.564 -7.160 553 HA ALA 73 HA ALA 73 8.630 6.642 -5.207 554 1HB ALA 73 1HB ALA 73 7.173 4.613 -5.266 555 2HB ALA 73 2HB ALA 73 8.004 4.855 -3.720 556 3HB ALA 73 3HB ALA 73 8.576 3.629 -4.843 557 H MET 74 H MET 74 11.368 6.011 -6.623 558 HA MET 74 HA MET 74 13.013 4.616 -4.710 559 1HB MET 74 1HB MET 74 13.472 6.242 -7.243 560 2HB MET 74 2HB MET 74 14.842 5.763 -6.238 561 1HG MET 74 1HG MET 74 12.817 3.728 -7.207 562 2HG MET 74 2HG MET 74 14.212 4.216 -8.179 563 1HE MET 74 1HE MET 74 13.396 1.253 -7.082 564 2HE MET 74 2HE MET 74 14.737 1.535 -8.219 565 3HE MET 74 3HE MET 74 15.010 0.589 -6.738 566 H GLU 75 H GLU 75 12.390 8.004 -5.548 567 HA GLU 75 HA GLU 75 14.370 9.064 -3.675 568 1HB GLU 75 1HB GLU 75 12.091 10.259 -5.287 569 2HB GLU 75 2HB GLU 75 12.920 11.215 -4.078 570 1HG GLU 75 1HG GLU 75 14.502 9.766 -6.236 571 2HG GLU 75 2HG GLU 75 13.726 11.316 -6.547 572 H PHE 76 H PHE 76 10.775 8.626 -3.601 573 HA PHE 76 HA PHE 76 10.232 9.595 -1.052 574 1HB PHE 76 1HB PHE 76 8.524 9.176 -2.627 575 2HB PHE 76 2HB PHE 76 9.049 7.519 -2.895 576 HD1 PHE 76 HD1 PHE 76 8.208 5.743 -1.657 577 HD2 PHE 76 HD2 PHE 76 7.575 9.778 -0.361 578 HE1 PHE 76 HE1 PHE 76 6.497 4.926 -0.036 579 HE2 PHE 76 HE2 PHE 76 5.922 8.974 1.360 580 HZ PHE 76 HZ PHE 76 5.384 6.523 1.492 581 H ALA 77 H ALA 77 11.180 6.255 -2.049 582 HA ALA 77 HA ALA 77 11.245 5.073 0.474 583 1HB ALA 77 1HB ALA 77 13.014 4.562 -1.958 584 2HB ALA 77 2HB ALA 77 12.795 3.444 -0.611 585 3HB ALA 77 3HB ALA 77 11.426 3.835 -1.655 586 H LYS 78 H LYS 78 13.923 6.859 -1.222 587 HA LYS 78 HA LYS 78 15.676 6.710 0.993 588 1HB LYS 78 1HB LYS 78 15.507 8.232 -1.578 589 2HB LYS 78 2HB LYS 78 16.471 8.997 -0.307 590 1HG LYS 78 1HG LYS 78 17.741 6.958 0.046 591 2HG LYS 78 2HG LYS 78 16.736 6.077 -1.080 592 1HD LYS 78 1HD LYS 78 17.580 7.491 -2.957 593 2HD LYS 78 2HD LYS 78 18.639 8.342 -1.797 594 1HE LYS 78 1HE LYS 78 19.536 6.067 -1.108 595 2HE LYS 78 2HE LYS 78 18.631 5.371 -2.468 596 1HZ LYS 78 1HZ LYS 78 20.764 7.417 -2.728 597 2HZ LYS 78 2HZ LYS 78 20.943 5.800 -2.976 598 3HZ LYS 78 3HZ LYS 78 19.966 6.669 -3.967 599 H LYS 79 H LYS 79 12.901 8.859 0.583 600 HA LYS 79 HA LYS 79 13.714 10.779 2.592 601 1HB LYS 79 1HB LYS 79 10.873 9.991 2.027 602 2HB LYS 79 2HB LYS 79 11.489 11.445 2.819 603 1HG LYS 79 1HG LYS 79 12.851 11.926 0.695 604 2HG LYS 79 2HG LYS 79 11.864 10.678 -0.076 605 1HD LYS 79 1HD LYS 79 9.823 11.964 0.579 606 2HD LYS 79 2HD LYS 79 10.896 13.265 1.121 607 1HE LYS 79 1HE LYS 79 10.866 12.050 -1.699 608 2HE LYS 79 2HE LYS 79 10.018 13.536 -1.261 609 1HZ LYS 79 1HZ LYS 79 12.943 13.200 -1.061 610 2HZ LYS 79 2HZ LYS 79 12.195 13.924 -2.303 611 3HZ LYS 79 3HZ LYS 79 12.096 14.598 -0.814 612 H HIS 80 H HIS 80 12.632 7.426 2.769 613 HA HIS 80 HA HIS 80 12.409 7.617 5.727 614 1HB HIS 80 1HB HIS 80 11.257 5.674 3.728 615 2HB HIS 80 2HB HIS 80 10.981 5.632 5.473 616 HD1 HIS 80 HD1 HIS 80 8.773 6.199 2.939 617 HD2 HIS 80 HD2 HIS 80 10.366 8.855 5.799 618 HE1 HIS 80 HE1 HIS 80 7.051 8.039 3.258 619 H GLY 81 H GLY 81 14.840 7.225 3.770 620 1HA GLY 81 1HA GLY 81 16.231 5.532 5.583 621 2HA GLY 81 2HA GLY 81 16.869 6.219 4.084 622 H ALA 82 H ALA 82 14.556 4.722 2.592 623 HA ALA 82 HA ALA 82 15.856 2.031 2.561 624 1HB ALA 82 1HB ALA 82 13.202 3.029 1.492 625 2HB ALA 82 2HB ALA 82 13.914 1.463 1.038 626 3HB ALA 82 3HB ALA 82 13.498 1.800 2.731 627 H ASP 83 H ASP 83 17.637 1.994 1.197 628 HA ASP 83 HA ASP 83 17.935 4.056 -0.841 629 1HB ASP 83 1HB ASP 83 20.076 2.810 -1.280 630 2HB ASP 83 2HB ASP 83 19.928 3.522 0.256 631 H GLU 84 H GLU 84 19.031 3.042 -2.933 632 HA GLU 84 HA GLU 84 17.077 2.200 -4.597 633 1HB GLU 84 1HB GLU 84 19.696 2.954 -4.854 634 2HB GLU 84 2HB GLU 84 19.916 1.240 -5.135 635 1HG GLU 84 1HG GLU 84 17.827 1.490 -6.654 636 2HG GLU 84 2HG GLU 84 18.278 3.219 -6.665 637 H THR 85 H THR 85 19.608 0.190 -3.410 638 HA THR 85 HA THR 85 18.611 -2.311 -4.303 639 HB THR 85 HB THR 85 20.492 -1.687 -2.003 640 HG1 THR 85 HG1 THR 85 20.886 -2.309 -4.736 641 1HG2 THR 85 1HG2 THR 85 19.884 -4.255 -3.504 642 2HG2 THR 85 2HG2 THR 85 21.467 -3.984 -2.762 643 3HG2 THR 85 3HG2 THR 85 20.010 -4.002 -1.754 644 H MET 86 H MET 86 17.744 -0.571 -1.307 645 HA MET 86 HA MET 86 16.314 -2.846 -0.126 646 1HB MET 86 1HB MET 86 16.544 0.167 0.339 647 2HB MET 86 2HB MET 86 15.288 -0.734 1.094 648 1HG MET 86 1HG MET 86 17.038 -2.231 2.122 649 2HG MET 86 2HG MET 86 18.267 -1.190 1.379 650 1HE MET 86 1HE MET 86 19.359 -0.969 3.740 651 2HE MET 86 2HE MET 86 18.562 -0.263 5.170 652 3HE MET 86 3HE MET 86 18.070 -1.875 4.581 653 H ALA 87 H ALA 87 15.452 0.063 -2.175 654 HA ALA 87 HA ALA 87 12.692 -0.625 -2.329 655 1HB ALA 87 1HB ALA 87 14.489 0.850 -4.296 656 2HB ALA 87 2HB ALA 87 13.558 1.573 -2.963 657 3HB ALA 87 3HB ALA 87 12.707 0.830 -4.323 658 H GLN 88 H GLN 88 15.406 -1.375 -4.564 659 HA GLN 88 HA GLN 88 14.006 -2.923 -6.396 660 1HB GLN 88 1HB GLN 88 16.299 -2.216 -6.770 661 2HB GLN 88 2HB GLN 88 16.873 -3.232 -5.441 662 1HG GLN 88 1HG GLN 88 17.423 -4.293 -7.523 663 2HG GLN 88 2HG GLN 88 16.225 -5.276 -6.715 664 1HE2 GLN 88 1HE2 GLN 88 13.946 -5.209 -7.591 665 2HE2 GLN 88 2HE2 GLN 88 13.758 -4.824 -9.301 666 H GLN 89 H GLN 89 15.367 -4.042 -3.256 667 HA GLN 89 HA GLN 89 14.747 -6.792 -3.528 668 1HB GLN 89 1HB GLN 89 15.095 -4.830 -1.261 669 2HB GLN 89 2HB GLN 89 14.365 -6.338 -0.856 670 1HG GLN 89 1HG GLN 89 17.037 -5.961 -2.244 671 2HG GLN 89 2HG GLN 89 16.782 -6.297 -0.533 672 1HE2 GLN 89 1HE2 GLN 89 18.341 -7.743 -2.330 673 2HE2 GLN 89 2HE2 GLN 89 17.777 -9.398 -2.419 674 H LEU 90 H LEU 90 12.706 -4.089 -2.286 675 HA LEU 90 HA LEU 90 10.448 -5.794 -1.737 676 1HB LEU 90 1HB LEU 90 10.616 -2.807 -2.281 677 2HB LEU 90 2HB LEU 90 9.222 -3.622 -1.626 678 HG LEU 90 HG LEU 90 11.947 -3.299 -0.300 679 1HD1 LEU 90 1HD1 LEU 90 10.597 -1.249 -0.513 680 2HD1 LEU 90 2HD1 LEU 90 9.258 -2.025 0.334 681 3HD1 LEU 90 3HD1 LEU 90 10.795 -1.701 1.168 682 1HD2 LEU 90 1HD2 LEU 90 10.682 -5.445 0.393 683 2HD2 LEU 90 2HD2 LEU 90 11.256 -4.383 1.659 684 3HD2 LEU 90 3HD2 LEU 90 9.555 -4.341 1.216 685 H ILE 91 H ILE 91 11.439 -3.922 -4.562 686 HA ILE 91 HA ILE 91 9.012 -4.224 -6.038 687 HB ILE 91 HB ILE 91 11.891 -3.520 -6.645 688 1HG1 ILE 91 1HG1 ILE 91 9.416 -1.740 -6.691 689 2HG1 ILE 91 2HG1 ILE 91 10.261 -2.070 -5.213 690 1HG2 ILE 91 1HG2 ILE 91 9.626 -3.511 -8.652 691 2HG2 ILE 91 2HG2 ILE 91 11.172 -2.646 -8.868 692 3HG2 ILE 91 3HG2 ILE 91 11.142 -4.409 -8.745 693 1HD1 ILE 91 1HD1 ILE 91 12.372 -1.191 -6.328 694 2HD1 ILE 91 2HD1 ILE 91 11.276 -0.543 -7.583 695 3HD1 ILE 91 3HD1 ILE 91 11.097 -0.058 -5.881 696 H ASP 92 H ASP 92 12.034 -6.167 -5.925 697 HA ASP 92 HA ASP 92 11.249 -8.032 -7.973 698 1HB ASP 92 1HB ASP 92 13.508 -7.698 -6.290 699 2HB ASP 92 2HB ASP 92 12.848 -9.222 -5.777 700 H ILE 93 H ILE 93 10.797 -7.932 -4.423 701 HA ILE 93 HA ILE 93 9.254 -10.255 -4.196 702 HB ILE 93 HB ILE 93 9.460 -7.682 -2.568 703 1HG1 ILE 93 1HG1 ILE 93 10.473 -10.484 -2.109 704 2HG1 ILE 93 2HG1 ILE 93 11.442 -9.268 -2.846 705 1HG2 ILE 93 1HG2 ILE 93 7.829 -10.137 -1.967 706 2HG2 ILE 93 2HG2 ILE 93 8.326 -8.914 -0.769 707 3HG2 ILE 93 3HG2 ILE 93 7.274 -8.462 -2.103 708 1HD1 ILE 93 1HD1 ILE 93 10.382 -9.002 -0.009 709 2HD1 ILE 93 2HD1 ILE 93 12.031 -9.427 -0.503 710 3HD1 ILE 93 3HD1 ILE 93 11.375 -7.825 -0.883 711 H VAL 94 H VAL 94 8.004 -6.854 -4.887 712 HA VAL 94 HA VAL 94 5.275 -7.618 -4.821 713 HB VAL 94 HB VAL 94 6.697 -5.471 -6.441 714 1HG1 VAL 94 1HG1 VAL 94 3.661 -5.869 -6.245 715 2HG1 VAL 94 2HG1 VAL 94 4.474 -4.428 -6.897 716 3HG1 VAL 94 3HG1 VAL 94 4.621 -5.945 -7.722 717 1HG2 VAL 94 1HG2 VAL 94 4.870 -5.407 -3.986 718 2HG2 VAL 94 2HG2 VAL 94 6.619 -5.150 -3.999 719 3HG2 VAL 94 3HG2 VAL 94 5.580 -3.995 -4.820 720 H HIS 95 H HIS 95 7.533 -7.590 -7.630 721 HA HIS 95 HA HIS 95 5.499 -8.712 -9.352 722 1HB HIS 95 1HB HIS 95 8.501 -8.483 -9.737 723 2HB HIS 95 2HB HIS 95 7.298 -8.786 -11.007 724 HD1 HIS 95 HD1 HIS 95 9.308 -6.160 -10.768 725 HD2 HIS 95 HD2 HIS 95 5.224 -6.394 -9.732 726 HE1 HIS 95 HE1 HIS 95 8.374 -3.783 -10.799 727 H GLY 96 H GLY 96 7.796 -10.011 -7.153 728 1HA GLY 96 1HA GLY 96 8.370 -12.112 -6.499 729 2HA GLY 96 2HA GLY 96 7.834 -12.750 -8.078 730 H CYS 97 H CYS 97 5.812 -10.861 -6.006 731 HA CYS 97 HA CYS 97 4.473 -13.185 -4.794 732 1HB CYS 97 1HB CYS 97 4.341 -10.178 -4.437 733 2HB CYS 97 2HB CYS 97 3.107 -11.235 -3.747 734 H GLU 98 H GLU 98 3.947 -10.916 -7.404 735 HA GLU 98 HA GLU 98 1.282 -11.500 -8.008 736 1HB GLU 98 1HB GLU 98 3.675 -11.143 -9.782 737 2HB GLU 98 2HB GLU 98 2.044 -11.251 -10.437 738 1HG GLU 98 1HG GLU 98 1.468 -9.211 -9.055 739 2HG GLU 98 2HG GLU 98 3.122 -9.145 -8.548 740 H LYS 99 H LYS 99 4.189 -13.505 -8.120 741 HA LYS 99 HA LYS 99 3.362 -15.329 -10.196 742 1HB LYS 99 1HB LYS 99 5.649 -15.839 -8.344 743 2HB LYS 99 2HB LYS 99 5.303 -16.441 -9.975 744 1HG LYS 99 1HG LYS 99 5.971 -13.612 -9.267 745 2HG LYS 99 2HG LYS 99 7.045 -14.834 -9.942 746 1HD LYS 99 1HD LYS 99 4.579 -13.858 -11.351 747 2HD LYS 99 2HD LYS 99 6.206 -13.155 -11.524 748 1HE LYS 99 1HE LYS 99 7.040 -15.435 -12.188 749 2HE LYS 99 2HE LYS 99 5.341 -15.940 -12.314 750 1HZ LYS 99 1HZ LYS 99 6.588 -13.671 -13.752 751 2HZ LYS 99 2HZ LYS 99 6.253 -15.135 -14.415 752 3HZ LYS 99 3HZ LYS 99 5.009 -14.165 -13.925 753 H SER 100 H SER 100 4.100 -15.631 -6.691 754 HA SER 100 HA SER 100 3.291 -18.335 -6.404 755 1HB SER 100 1HB SER 100 3.446 -17.684 -3.955 756 2HB SER 100 2HB SER 100 4.906 -17.497 -4.933 757 HG SER 100 HG SER 100 4.788 -15.596 -3.883 758 H THR 101 H THR 101 1.601 -15.239 -5.823 759 HA THR 101 HA THR 101 -0.824 -16.335 -4.835 760 HB THR 101 HB THR 101 -0.382 -13.785 -6.448 761 HG1 THR 101 HG1 THR 101 0.894 -13.507 -4.810 762 1HG2 THR 101 1HG2 THR 101 -2.493 -14.504 -4.371 763 2HG2 THR 101 2HG2 THR 101 -2.275 -12.917 -5.174 764 3HG2 THR 101 3HG2 THR 101 -2.772 -14.332 -6.117 765 HA PRO 102 HA PRO 102 -2.141 -18.024 -8.872 766 1HB PRO 102 1HB PRO 102 -4.679 -18.829 -8.226 767 2HB PRO 102 2HB PRO 102 -3.211 -19.751 -7.759 768 1HG PRO 102 1HG PRO 102 -4.848 -17.861 -6.072 769 2HG PRO 102 2HG PRO 102 -4.149 -19.442 -5.622 770 1HD PRO 102 1HD PRO 102 -2.982 -17.001 -5.017 771 2HD PRO 102 2HD PRO 102 -2.040 -18.498 -5.247 772 H ALA 103 H ALA 103 -3.100 -16.938 -10.504 773 HA ALA 103 HA ALA 103 -3.874 -14.200 -10.311 774 1HB ALA 103 1HB ALA 103 -4.037 -16.201 -12.605 775 2HB ALA 103 2HB ALA 103 -2.691 -15.084 -12.261 776 3HB ALA 103 3HB ALA 103 -4.281 -14.449 -12.720 777 H ASN 104 H ASN 104 -5.571 -13.906 -9.179 778 HA ASN 104 HA ASN 104 -7.807 -15.745 -8.975 779 1HB ASN 104 1HB ASN 104 -6.715 -14.067 -7.206 780 2HB ASN 104 2HB ASN 104 -7.879 -12.939 -7.868 781 1HD2 ASN 104 1HD2 ASN 104 -7.425 -14.929 -5.381 782 2HD2 ASN 104 2HD2 ASN 104 -9.094 -15.291 -4.995 783 H ASP 105 H ASP 105 -9.906 -15.446 -9.743 784 HA ASP 105 HA ASP 105 -10.481 -13.928 -11.977 785 1HB ASP 105 1HB ASP 105 -11.644 -15.971 -11.212 786 2HB ASP 105 2HB ASP 105 -12.333 -15.069 -9.859 787 H ASP 106 H ASP 106 -10.306 -12.949 -8.690 788 HA ASP 106 HA ASP 106 -11.890 -10.444 -9.103 789 1HB ASP 106 1HB ASP 106 -12.507 -12.177 -7.210 790 2HB ASP 106 2HB ASP 106 -11.045 -11.696 -6.487 791 H LYS 107 H LYS 107 -10.447 -8.720 -9.521 792 HA LYS 107 HA LYS 107 -7.676 -9.002 -9.109 793 1HB LYS 107 1HB LYS 107 -9.306 -7.180 -10.491 794 2HB LYS 107 2HB LYS 107 -8.668 -6.184 -9.206 795 1HG LYS 107 1HG LYS 107 -6.997 -5.924 -10.749 796 2HG LYS 107 2HG LYS 107 -6.344 -7.279 -9.832 797 1HD LYS 107 1HD LYS 107 -6.277 -8.468 -11.777 798 2HD LYS 107 2HD LYS 107 -8.023 -8.511 -11.753 799 1HE LYS 107 1HE LYS 107 -7.612 -7.551 -13.833 800 2HE LYS 107 2HE LYS 107 -7.979 -6.157 -12.791 801 1HZ LYS 107 1HZ LYS 107 -5.246 -7.079 -13.546 802 2HZ LYS 107 2HZ LYS 107 -6.019 -5.855 -14.245 803 3HZ LYS 107 3HZ LYS 107 -5.603 -5.704 -12.684 804 H CYS 108 H CYS 108 -10.222 -7.808 -6.966 805 HA CYS 108 HA CYS 108 -8.496 -6.363 -5.151 806 1HB CYS 108 1HB CYS 108 -11.114 -7.851 -4.652 807 2HB CYS 108 2HB CYS 108 -10.282 -6.829 -3.513 808 H ILE 109 H ILE 109 -9.759 -9.706 -5.261 809 HA ILE 109 HA ILE 109 -8.499 -10.428 -2.779 810 HB ILE 109 HB ILE 109 -9.834 -12.136 -4.937 811 1HG1 ILE 109 1HG1 ILE 109 -10.953 -10.940 -2.345 812 2HG1 ILE 109 2HG1 ILE 109 -11.307 -10.360 -3.963 813 1HG2 ILE 109 1HG2 ILE 109 -9.102 -12.774 -2.049 814 2HG2 ILE 109 2HG2 ILE 109 -10.031 -13.824 -3.158 815 3HG2 ILE 109 3HG2 ILE 109 -8.349 -13.428 -3.519 816 1HD1 ILE 109 1HD1 ILE 109 -12.168 -12.701 -4.501 817 2HD1 ILE 109 2HD1 ILE 109 -12.181 -12.953 -2.739 818 3HD1 ILE 109 3HD1 ILE 109 -13.133 -11.634 -3.453 819 H TRP 110 H TRP 110 -7.685 -10.998 -6.182 820 HA TRP 110 HA TRP 110 -5.198 -12.320 -5.862 821 1HB TRP 110 1HB TRP 110 -6.164 -11.781 -8.105 822 2HB TRP 110 2HB TRP 110 -5.852 -10.087 -7.828 823 HD1 TRP 110 HD1 TRP 110 -3.906 -13.397 -7.987 824 HE1 TRP 110 HE1 TRP 110 -1.570 -12.978 -9.039 825 HE3 TRP 110 HE3 TRP 110 -4.172 -8.339 -8.437 826 HZ2 TRP 110 HZ2 TRP 110 -0.038 -10.678 -9.942 827 HZ3 TRP 110 HZ3 TRP 110 -2.260 -7.044 -9.335 828 HH2 TRP 110 HH2 TRP 110 -0.242 -8.185 -10.110 829 H THR 111 H THR 111 -5.724 -8.739 -5.998 830 HA THR 111 HA THR 111 -3.128 -7.979 -5.439 831 HB THR 111 HB THR 111 -5.809 -6.636 -4.930 832 HG1 THR 111 HG1 THR 111 -5.619 -6.862 -6.988 833 1HG2 THR 111 1HG2 THR 111 -3.040 -5.511 -4.578 834 2HG2 THR 111 2HG2 THR 111 -4.330 -4.504 -5.266 835 3HG2 THR 111 3HG2 THR 111 -4.538 -5.221 -3.662 836 H LEU 112 H LEU 112 -5.737 -8.733 -2.946 837 HA LEU 112 HA LEU 112 -4.064 -8.017 -0.738 838 1HB LEU 112 1HB LEU 112 -6.493 -8.173 -0.681 839 2HB LEU 112 2HB LEU 112 -6.419 -9.905 -0.924 840 HG LEU 112 HG LEU 112 -4.642 -8.889 1.274 841 1HD1 LEU 112 1HD1 LEU 112 -7.636 -8.608 1.557 842 2HD1 LEU 112 2HD1 LEU 112 -6.429 -8.450 2.859 843 3HD1 LEU 112 3HD1 LEU 112 -6.441 -7.290 1.521 844 1HD2 LEU 112 1HD2 LEU 112 -5.129 -11.230 0.687 845 2HD2 LEU 112 2HD2 LEU 112 -5.547 -10.850 2.380 846 3HD2 LEU 112 3HD2 LEU 112 -6.827 -10.992 1.132 847 H GLY 113 H GLY 113 -4.516 -11.009 -2.612 848 1HA GLY 113 1HA GLY 113 -3.126 -12.815 -2.867 849 2HA GLY 113 2HA GLY 113 -2.896 -12.785 -1.110 850 H VAL 114 H VAL 114 -1.924 -10.661 -3.879 851 HA VAL 114 HA VAL 114 0.833 -11.100 -3.780 852 HB VAL 114 HB VAL 114 -0.558 -8.504 -4.538 853 1HG1 VAL 114 1HG1 VAL 114 1.959 -8.382 -4.326 854 2HG1 VAL 114 2HG1 VAL 114 2.075 -9.712 -5.491 855 3HG1 VAL 114 3HG1 VAL 114 1.385 -8.161 -5.982 856 1HG2 VAL 114 1HG2 VAL 114 0.035 -11.029 -6.157 857 2HG2 VAL 114 2HG2 VAL 114 -1.556 -10.317 -5.851 858 3HG2 VAL 114 3HG2 VAL 114 -0.414 -9.462 -6.867 859 H ALA 115 H ALA 115 -1.063 -8.490 -2.111 860 HA ALA 115 HA ALA 115 1.141 -7.518 -0.580 861 1HB ALA 115 1HB ALA 115 -0.877 -6.210 -1.219 862 2HB ALA 115 2HB ALA 115 -0.528 -6.141 0.517 863 3HB ALA 115 3HB ALA 115 -1.840 -7.184 -0.083 864 H THR 116 H THR 116 -0.546 -10.430 -0.066 865 HA THR 116 HA THR 116 -0.022 -10.503 2.856 866 HB THR 116 HB THR 116 -0.954 -12.705 0.933 867 HG1 THR 116 HG1 THR 116 -2.455 -10.955 1.142 868 1HG2 THR 116 1HG2 THR 116 0.003 -13.588 3.031 869 2HG2 THR 116 2HG2 THR 116 -1.131 -12.575 3.952 870 3HG2 THR 116 3HG2 THR 116 -1.736 -13.884 2.919 871 H CYS 117 H CYS 117 1.020 -11.982 -0.219 872 HA CYS 117 HA CYS 117 3.191 -13.477 0.756 873 1HB CYS 117 1HB CYS 117 2.330 -13.929 -1.391 874 2HB CYS 117 2HB CYS 117 2.454 -12.261 -1.915 875 H PHE 118 H PHE 118 3.127 -9.992 -0.507 876 HA PHE 118 HA PHE 118 5.761 -9.510 -0.417 877 1HB PHE 118 1HB PHE 118 3.953 -8.051 -1.212 878 2HB PHE 118 2HB PHE 118 3.464 -7.702 0.424 879 HD1 PHE 118 HD1 PHE 118 7.010 -7.771 0.424 880 HD2 PHE 118 HD2 PHE 118 3.750 -5.331 -0.921 881 HE1 PHE 118 HE1 PHE 118 8.503 -5.914 0.256 882 HE2 PHE 118 HE2 PHE 118 5.277 -3.373 -0.930 883 HZ PHE 118 HZ PHE 118 7.602 -3.606 -0.297 884 H LYS 119 H LYS 119 3.664 -8.764 2.419 885 HA LYS 119 HA LYS 119 5.477 -8.075 4.249 886 1HB LYS 119 1HB LYS 119 2.715 -8.804 4.100 887 2HB LYS 119 2HB LYS 119 3.378 -9.839 5.277 888 1HG LYS 119 1HG LYS 119 4.462 -7.829 6.443 889 2HG LYS 119 2HG LYS 119 3.661 -6.799 5.263 890 1HD LYS 119 1HD LYS 119 2.519 -6.694 7.362 891 2HD LYS 119 2HD LYS 119 1.448 -7.440 6.184 892 1HE LYS 119 1HE LYS 119 1.586 -9.562 7.209 893 2HE LYS 119 2HE LYS 119 3.213 -9.234 7.817 894 1HZ LYS 119 1HZ LYS 119 2.316 -7.794 9.480 895 2HZ LYS 119 2HZ LYS 119 0.752 -8.133 9.020 896 3HZ LYS 119 3HZ LYS 119 1.693 -9.311 9.610 897 H ALA 120 H ALA 120 4.616 -11.406 3.428 898 HA ALA 120 HA ALA 120 6.246 -12.637 5.484 899 1HB ALA 120 1HB ALA 120 5.905 -14.720 4.161 900 2HB ALA 120 2HB ALA 120 4.390 -13.871 4.539 901 3HB ALA 120 3HB ALA 120 5.094 -13.765 2.913 902 H GLU 121 H GLU 121 7.058 -11.501 2.167 903 HA GLU 121 HA GLU 121 9.673 -12.815 2.187 904 1HB GLU 121 1HB GLU 121 8.511 -10.556 0.553 905 2HB GLU 121 2HB GLU 121 10.098 -11.243 0.271 906 1HG GLU 121 1HG GLU 121 7.542 -12.900 0.152 907 2HG GLU 121 2HG GLU 121 8.225 -12.086 -1.238 908 H ILE 122 H ILE 122 8.441 -9.479 3.007 909 HA ILE 122 HA ILE 122 10.876 -8.368 3.811 910 HB ILE 122 HB ILE 122 8.024 -8.076 4.803 911 1HG1 ILE 122 1HG1 ILE 122 9.729 -6.472 2.944 912 2HG1 ILE 122 2HG1 ILE 122 8.309 -7.412 2.558 913 1HG2 ILE 122 1HG2 ILE 122 9.546 -7.435 6.696 914 2HG2 ILE 122 2HG2 ILE 122 10.244 -6.210 5.606 915 3HG2 ILE 122 3HG2 ILE 122 8.539 -6.133 6.083 916 1HD1 ILE 122 1HD1 ILE 122 6.880 -5.918 3.933 917 2HD1 ILE 122 2HD1 ILE 122 8.286 -4.871 4.237 918 3HD1 ILE 122 3HD1 ILE 122 7.676 -5.067 2.602 919 H HIS 123 H HIS 123 8.906 -10.809 5.484 920 HA HIS 123 HA HIS 123 10.407 -10.814 7.941 921 1HB HIS 123 1HB HIS 123 8.005 -11.585 7.367 922 2HB HIS 123 2HB HIS 123 8.754 -13.045 6.750 923 HD1 HIS 123 HD1 HIS 123 7.877 -14.746 8.381 924 HD2 HIS 123 HD2 HIS 123 9.561 -11.324 10.170 925 HE1 HIS 123 HE1 HIS 123 7.905 -15.199 10.879 926 H LYS 124 H LYS 124 11.124 -12.071 4.824 927 HA LYS 124 HA LYS 124 13.163 -14.021 5.797 928 1HB LYS 124 1HB LYS 124 12.178 -13.311 3.007 929 2HB LYS 124 2HB LYS 124 13.533 -14.387 3.330 930 1HG LYS 124 1HG LYS 124 12.148 -15.989 4.457 931 2HG LYS 124 2HG LYS 124 10.751 -14.893 4.474 932 1HD LYS 124 1HD LYS 124 10.537 -14.973 2.088 933 2HD LYS 124 2HD LYS 124 12.049 -15.890 1.900 934 1HE LYS 124 1HE LYS 124 11.018 -17.761 3.194 935 2HE LYS 124 2HE LYS 124 9.528 -16.821 3.347 936 1HZ LYS 124 1HZ LYS 124 9.301 -16.898 0.943 937 2HZ LYS 124 2HZ LYS 124 10.683 -17.785 0.790 938 3HZ LYS 124 3HZ LYS 124 9.370 -18.394 1.581 939 H LEU 125 H LEU 125 12.860 -10.771 4.388 940 HA LEU 125 HA LEU 125 15.674 -10.423 3.920 941 1HB LEU 125 1HB LEU 125 13.407 -8.516 4.454 942 2HB LEU 125 2HB LEU 125 15.016 -7.905 4.329 943 HG LEU 125 HG LEU 125 13.816 -9.595 2.107 944 1HD1 LEU 125 1HD1 LEU 125 13.779 -6.557 2.289 945 2HD1 LEU 125 2HD1 LEU 125 13.349 -7.542 0.880 946 3HD1 LEU 125 3HD1 LEU 125 12.372 -7.649 2.332 947 1HD2 LEU 125 1HD2 LEU 125 16.259 -7.788 2.479 948 2HD2 LEU 125 2HD2 LEU 125 16.214 -9.472 1.938 949 3HD2 LEU 125 3HD2 LEU 125 15.673 -8.191 0.854 950 H ASN 126 H ASN 126 17.019 -8.999 5.108 951 HA ASN 126 HA ASN 126 17.221 -9.613 7.949 952 1HB ASN 126 1HB ASN 126 19.471 -8.690 7.594 953 2HB ASN 126 2HB ASN 126 19.150 -9.904 6.386 954 1HD2 ASN 126 1HD2 ASN 126 20.022 -6.642 6.920 955 2HD2 ASN 126 2HD2 ASN 126 19.818 -6.009 5.299 956 H TRP 127 H TRP 127 15.738 -7.184 6.190 957 HA TRP 127 HA TRP 127 16.116 -5.200 8.367 958 1HB TRP 127 1HB TRP 127 16.236 -3.383 6.783 959 2HB TRP 127 2HB TRP 127 17.556 -4.490 6.526 960 HD1 TRP 127 HD1 TRP 127 17.136 -6.248 4.333 961 HE1 TRP 127 HE1 TRP 127 16.155 -5.684 2.027 962 HE3 TRP 127 HE3 TRP 127 14.706 -1.883 5.491 963 HZ2 TRP 127 HZ2 TRP 127 14.199 -3.885 0.961 964 HZ3 TRP 127 HZ3 TRP 127 13.326 -0.734 3.786 965 HH2 TRP 127 HH2 TRP 127 13.050 -1.753 1.516 966 H ALA 128 H ALA 128 14.356 -3.354 7.821 967 HA ALA 128 HA ALA 128 11.774 -4.617 7.111 968 1HB ALA 128 1HB ALA 128 12.410 -3.511 9.869 969 2HB ALA 128 2HB ALA 128 11.941 -5.173 9.450 970 3HB ALA 128 3HB ALA 128 10.777 -3.852 9.268 971 HA PRO 129 HA PRO 129 11.860 -0.304 5.469 972 1HB PRO 129 1HB PRO 129 9.197 -1.014 4.398 973 2HB PRO 129 2HB PRO 129 10.653 -0.452 3.520 974 1HG PRO 129 1HG PRO 129 9.637 -3.086 3.543 975 2HG PRO 129 2HG PRO 129 11.268 -2.614 3.074 976 1HD PRO 129 1HD PRO 129 10.437 -4.006 5.477 977 2HD PRO 129 2HD PRO 129 12.078 -3.755 4.804 978 H SER 130 H SER 130 10.541 1.587 6.048 979 HA SER 130 HA SER 130 8.622 1.282 8.226 980 1HB SER 130 1HB SER 130 8.612 3.532 6.234 981 2HB SER 130 2HB SER 130 8.164 3.527 7.922 982 HG SER 130 HG SER 130 10.799 3.454 6.860 983 H MET 131 H MET 131 6.306 1.249 7.871 984 HA MET 131 HA MET 131 5.507 -0.244 5.577 985 1HB MET 131 1HB MET 131 4.056 1.147 7.831 986 2HB MET 131 2HB MET 131 3.161 0.660 6.383 987 1HG MET 131 1HG MET 131 4.265 -1.617 6.586 988 2HG MET 131 2HG MET 131 4.834 -1.112 8.155 989 1HE MET 131 1HE MET 131 3.238 -0.328 10.097 990 2HE MET 131 2HE MET 131 2.085 0.633 9.141 991 3HE MET 131 3HE MET 131 1.503 -0.689 10.179 992 H ASP 132 H ASP 132 5.271 3.271 6.255 993 HA ASP 132 HA ASP 132 3.933 4.080 4.007 994 1HB ASP 132 1HB ASP 132 6.341 5.331 5.347 995 2HB ASP 132 2HB ASP 132 5.409 6.127 4.074 996 H VAL 133 H VAL 133 7.291 2.812 4.076 997 HA VAL 133 HA VAL 133 7.729 3.392 1.248 998 HB VAL 133 HB VAL 133 9.274 1.602 3.176 999 1HG1 VAL 133 1HG1 VAL 133 9.954 2.495 0.344 1000 2HG1 VAL 133 2HG1 VAL 133 11.057 1.650 1.471 1001 3HG1 VAL 133 3HG1 VAL 133 9.608 0.850 0.868 1002 1HG2 VAL 133 1HG2 VAL 133 9.840 4.405 2.157 1003 2HG2 VAL 133 2HG2 VAL 133 9.452 3.945 3.834 1004 3HG2 VAL 133 3HG2 VAL 133 10.968 3.407 3.097 1005 H ALA 134 H ALA 134 7.349 0.320 3.179 1006 HA ALA 134 HA ALA 134 7.180 -1.350 0.928 1007 1HB ALA 134 1HB ALA 134 7.504 -2.201 3.215 1008 2HB ALA 134 2HB ALA 134 6.132 -3.000 2.435 1009 3HB ALA 134 3HB ALA 134 5.842 -1.736 3.646 1010 H VAL 135 H VAL 135 4.408 0.040 2.714 1011 HA VAL 135 HA VAL 135 2.425 -0.985 0.907 1012 HB VAL 135 HB VAL 135 2.251 1.385 2.824 1013 1HG1 VAL 135 1HG1 VAL 135 0.113 -0.360 1.551 1014 2HG1 VAL 135 2HG1 VAL 135 -0.178 0.866 2.816 1015 3HG1 VAL 135 3HG1 VAL 135 0.425 1.348 1.225 1016 1HG2 VAL 135 1HG2 VAL 135 1.608 -1.566 3.321 1017 2HG2 VAL 135 2HG2 VAL 135 2.902 -0.656 4.116 1018 3HG2 VAL 135 3HG2 VAL 135 1.228 -0.234 4.433 1019 H GLY 136 H GLY 136 4.296 2.157 1.067 1020 1HA GLY 136 1HA GLY 136 4.590 3.778 -0.454 1021 2HA GLY 136 2HA GLY 136 2.945 3.554 -0.985 1022 H GLU 137 H GLU 137 5.625 1.124 -1.187 1023 HA GLU 137 HA GLU 137 6.114 1.658 -3.971 1024 1HB GLU 137 1HB GLU 137 7.085 -0.578 -2.162 1025 2HB GLU 137 2HB GLU 137 7.605 -0.288 -3.820 1026 1HG GLU 137 1HG GLU 137 7.916 2.244 -2.515 1027 2HG GLU 137 2HG GLU 137 8.337 1.081 -1.296 1028 H ILE 138 H ILE 138 4.587 -1.176 -2.225 1029 HA ILE 138 HA ILE 138 3.966 -2.408 -4.687 1030 HB ILE 138 HB ILE 138 3.923 -3.648 -2.601 1031 1HG1 ILE 138 1HG1 ILE 138 1.168 -3.897 -3.842 1032 2HG1 ILE 138 2HG1 ILE 138 2.637 -4.478 -4.609 1033 1HG2 ILE 138 1HG2 ILE 138 2.789 -1.900 -1.184 1034 2HG2 ILE 138 2HG2 ILE 138 1.252 -2.314 -1.949 1035 3HG2 ILE 138 3HG2 ILE 138 2.111 -3.508 -0.955 1036 1HD1 ILE 138 1HD1 ILE 138 1.622 -5.491 -1.903 1037 2HD1 ILE 138 2HD1 ILE 138 1.347 -6.279 -3.451 1038 3HD1 ILE 138 3HD1 ILE 138 2.981 -6.157 -2.819 1039 H LEU 139 H LEU 139 2.291 0.207 -3.010 1040 HA LEU 139 HA LEU 139 -0.050 0.252 -4.719 1041 1HB LEU 139 1HB LEU 139 1.390 2.337 -3.090 1042 2HB LEU 139 2HB LEU 139 -0.047 2.688 -3.961 1043 HG LEU 139 HG LEU 139 0.156 0.581 -1.735 1044 1HD1 LEU 139 1HD1 LEU 139 0.438 2.910 -0.936 1045 2HD1 LEU 139 2HD1 LEU 139 -1.098 3.355 -1.711 1046 3HD1 LEU 139 3HD1 LEU 139 -1.074 2.171 -0.372 1047 1HD2 LEU 139 1HD2 LEU 139 -2.291 1.581 -3.125 1048 2HD2 LEU 139 2HD2 LEU 139 -1.596 -0.044 -3.222 1049 3HD2 LEU 139 3HD2 LEU 139 -2.256 0.531 -1.692 1050 H ALA 140 H ALA 140 3.119 1.956 -4.836 1051 HA ALA 140 HA ALA 140 2.594 3.307 -7.262 1052 1HB ALA 140 1HB ALA 140 4.557 3.769 -5.813 1053 2HB ALA 140 2HB ALA 140 5.299 2.251 -6.372 1054 3HB ALA 140 3HB ALA 140 4.992 3.567 -7.517 1055 H GLU 141 H GLU 141 3.052 -0.119 -6.860 1056 HA GLU 141 HA GLU 141 3.782 -0.521 -9.680 1057 1HB GLU 141 1HB GLU 141 3.953 -2.147 -7.122 1058 2HB GLU 141 2HB GLU 141 4.382 -2.782 -8.719 1059 1HG GLU 141 1HG GLU 141 6.115 -1.126 -9.013 1060 2HG GLU 141 2HG GLU 141 5.641 -0.247 -7.558 1061 H VAL 142 H VAL 142 1.580 -2.101 -7.281 1062 HA VAL 142 HA VAL 142 0.721 -3.930 -9.207 1063 HB VAL 142 HB VAL 142 0.049 -3.337 -6.412 1064 1HG1 VAL 142 1HG1 VAL 142 -1.857 -4.993 -8.069 1065 2HG1 VAL 142 2HG1 VAL 142 -1.727 -5.061 -6.303 1066 3HG1 VAL 142 3HG1 VAL 142 -2.239 -3.553 -7.083 1067 1HG2 VAL 142 1HG2 VAL 142 1.829 -4.854 -7.146 1068 2HG2 VAL 142 2HG2 VAL 142 0.631 -5.657 -6.114 1069 3HG2 VAL 142 3HG2 VAL 142 0.621 -5.917 -7.877 No H/Q in entry = 1069 Start of MODEL 2 1 H SER 1 H SER 1 -2.508 18.338 24.422 2 HA SER 1 HA SER 1 -3.521 19.234 22.437 3 1HB SER 1 1HB SER 1 -2.339 21.846 23.412 4 2HB SER 1 2HB SER 1 -3.303 21.619 21.933 5 HG SER 1 HG SER 1 -5.038 21.606 23.029 6 H GLN 2 H GLN 2 -0.470 18.354 23.426 7 HA GLN 2 HA GLN 2 1.195 19.561 21.457 8 1HB GLN 2 1HB GLN 2 1.300 16.851 22.832 9 2HB GLN 2 2HB GLN 2 2.568 17.477 21.776 10 1HG GLN 2 1HG GLN 2 3.233 19.156 23.298 11 2HG GLN 2 2HG GLN 2 1.737 19.045 24.235 12 1HE2 GLN 2 1HE2 GLN 2 5.036 17.903 24.170 13 2HE2 GLN 2 2HE2 GLN 2 4.730 16.588 25.314 14 H GLU 3 H GLU 3 1.462 19.111 19.350 15 HA GLU 3 HA GLU 3 -0.388 17.182 18.052 16 1HB GLU 3 1HB GLU 3 0.379 19.980 17.495 17 2HB GLU 3 2HB GLU 3 0.369 18.949 16.059 18 1HG GLU 3 1HG GLU 3 -1.886 18.151 16.595 19 2HG GLU 3 2HG GLU 3 -1.929 19.150 18.053 20 H VAL 4 H VAL 4 1.924 16.437 19.256 21 HA VAL 4 HA VAL 4 3.645 15.453 17.029 22 HB VAL 4 HB VAL 4 4.383 16.194 19.890 23 1HG1 VAL 4 1HG1 VAL 4 6.144 15.256 17.585 24 2HG1 VAL 4 2HG1 VAL 4 6.731 15.939 19.131 25 3HG1 VAL 4 3HG1 VAL 4 5.837 14.431 19.134 26 1HG2 VAL 4 1HG2 VAL 4 4.954 17.586 17.237 27 2HG2 VAL 4 2HG2 VAL 4 3.962 18.196 18.567 28 3HG2 VAL 4 3HG2 VAL 4 5.684 18.020 18.811 29 H MET 5 H MET 5 1.293 14.316 17.431 30 HA MET 5 HA MET 5 2.031 11.567 18.097 31 1HB MET 5 1HB MET 5 -0.501 12.859 19.235 32 2HB MET 5 2HB MET 5 -0.146 11.132 19.200 33 1HG MET 5 1HG MET 5 2.073 11.938 20.428 34 2HG MET 5 2HG MET 5 0.996 13.228 20.959 35 1HE MET 5 1HE MET 5 -1.358 12.705 22.177 36 2HE MET 5 2HE MET 5 -1.843 11.430 21.033 37 3HE MET 5 3HE MET 5 -1.850 11.104 22.778 38 H LYS 6 H LYS 6 1.796 12.904 15.485 39 HA LYS 6 HA LYS 6 -0.833 12.333 14.401 40 1HB LYS 6 1HB LYS 6 1.842 12.606 12.973 41 2HB LYS 6 2HB LYS 6 0.254 12.580 12.229 42 1HG LYS 6 1HG LYS 6 -0.338 14.624 13.640 43 2HG LYS 6 2HG LYS 6 1.374 14.721 14.066 44 1HD LYS 6 1HD LYS 6 1.871 14.839 11.556 45 2HD LYS 6 2HD LYS 6 0.119 14.985 11.305 46 1HE LYS 6 1HE LYS 6 0.191 16.946 12.975 47 2HE LYS 6 2HE LYS 6 1.953 16.852 12.864 48 1HZ LYS 6 1HZ LYS 6 1.708 17.254 10.461 49 2HZ LYS 6 2HZ LYS 6 0.086 17.508 10.679 50 3HZ LYS 6 3HZ LYS 6 1.177 18.486 11.419 51 H ASN 7 H ASN 7 -1.132 10.662 12.727 52 HA ASN 7 HA ASN 7 0.292 8.094 13.266 53 1HB ASN 7 1HB ASN 7 -1.778 8.012 14.548 54 2HB ASN 7 2HB ASN 7 -2.714 8.568 13.145 55 1HD2 ASN 7 1HD2 ASN 7 -3.379 7.004 11.537 56 2HD2 ASN 7 2HD2 ASN 7 -2.888 5.314 11.715 57 H LEU 8 H LEU 8 0.483 6.907 11.514 58 HA LEU 8 HA LEU 8 1.106 6.462 9.373 59 1HB LEU 8 1HB LEU 8 -0.955 5.424 9.584 60 2HB LEU 8 2HB LEU 8 -1.877 6.878 9.331 61 HG LEU 8 HG LEU 8 -1.787 5.048 7.534 62 1HD1 LEU 8 1HD1 LEU 8 -1.941 7.997 7.339 63 2HD1 LEU 8 2HD1 LEU 8 -1.712 7.204 5.834 64 3HD1 LEU 8 3HD1 LEU 8 -3.096 6.738 6.864 65 1HD2 LEU 8 1HD2 LEU 8 0.753 5.042 7.407 66 2HD2 LEU 8 2HD2 LEU 8 -0.153 5.070 5.897 67 3HD2 LEU 8 3HD2 LEU 8 0.600 6.558 6.472 68 H SER 9 H SER 9 2.527 7.626 8.057 69 HA SER 9 HA SER 9 1.974 10.485 7.784 70 1HB SER 9 1HB SER 9 4.427 8.881 7.029 71 2HB SER 9 2HB SER 9 4.302 10.647 7.115 72 HG SER 9 HG SER 9 4.145 10.511 9.300 73 H LEU 10 H LEU 10 1.909 7.705 5.611 74 HA LEU 10 HA LEU 10 1.382 9.354 3.272 75 1HB LEU 10 1HB LEU 10 0.611 6.516 4.011 76 2HB LEU 10 2HB LEU 10 0.057 7.273 2.521 77 HG LEU 10 HG LEU 10 2.839 6.362 3.249 78 1HD1 LEU 10 1HD1 LEU 10 1.091 5.930 0.815 79 2HD1 LEU 10 2HD1 LEU 10 2.744 5.329 1.028 80 3HD1 LEU 10 3HD1 LEU 10 1.482 4.753 2.099 81 1HD2 LEU 10 1HD2 LEU 10 2.066 8.546 1.261 82 2HD2 LEU 10 2HD2 LEU 10 3.411 8.517 2.408 83 3HD2 LEU 10 3HD2 LEU 10 3.441 7.506 0.956 84 H ASN 11 H ASN 11 -1.193 9.018 2.412 85 HA ASN 11 HA ASN 11 -2.898 9.874 4.702 86 1HB ASN 11 1HB ASN 11 -2.092 11.789 3.165 87 2HB ASN 11 2HB ASN 11 -3.162 11.106 1.944 88 1HD2 ASN 11 1HD2 ASN 11 -3.261 13.633 3.729 89 2HD2 ASN 11 2HD2 ASN 11 -4.751 13.506 4.639 90 H PHE 12 H PHE 12 -3.629 7.597 4.762 91 HA PHE 12 HA PHE 12 -4.650 6.448 2.282 92 1HB PHE 12 1HB PHE 12 -4.472 5.573 5.143 93 2HB PHE 12 2HB PHE 12 -5.563 4.760 4.044 94 HD1 PHE 12 HD1 PHE 12 -4.709 3.067 2.703 95 HD2 PHE 12 HD2 PHE 12 -2.012 5.923 4.367 96 HE1 PHE 12 HE1 PHE 12 -2.728 1.586 2.169 97 HE2 PHE 12 HE2 PHE 12 -0.066 4.556 3.648 98 HZ PHE 12 HZ PHE 12 -0.426 2.395 2.549 99 H GLY 13 H GLY 13 -6.139 7.978 5.253 100 1HA GLY 13 1HA GLY 13 -8.260 8.756 5.589 101 2HA GLY 13 2HA GLY 13 -8.777 7.232 4.897 102 H LYS 14 H LYS 14 -7.114 10.044 3.315 103 HA LYS 14 HA LYS 14 -9.433 10.989 1.978 104 1HB LYS 14 1HB LYS 14 -6.454 11.315 1.705 105 2HB LYS 14 2HB LYS 14 -7.368 11.729 0.284 106 1HG LYS 14 1HG LYS 14 -7.979 12.894 2.999 107 2HG LYS 14 2HG LYS 14 -6.822 13.589 1.872 108 1HD LYS 14 1HD LYS 14 -9.394 12.999 0.512 109 2HD LYS 14 2HD LYS 14 -9.606 14.034 1.907 110 1HE LYS 14 1HE LYS 14 -9.162 15.674 0.394 111 2HE LYS 14 2HE LYS 14 -7.510 15.335 0.907 112 1HZ LYS 14 1HZ LYS 14 -8.735 14.255 -1.547 113 2HZ LYS 14 2HZ LYS 14 -7.843 15.617 -1.439 114 3HZ LYS 14 3HZ LYS 14 -7.110 14.216 -1.095 115 H ALA 15 H ALA 15 -6.892 8.887 0.516 116 HA ALA 15 HA ALA 15 -8.244 8.366 -1.928 117 1HB ALA 15 1HB ALA 15 -6.293 6.768 -0.311 118 2HB ALA 15 2HB ALA 15 -5.912 7.982 -1.580 119 3HB ALA 15 3HB ALA 15 -6.776 6.499 -2.023 120 H LEU 16 H LEU 16 -8.394 6.667 1.268 121 HA LEU 16 HA LEU 16 -10.237 4.650 0.451 122 1HB LEU 16 1HB LEU 16 -9.930 5.937 3.184 123 2HB LEU 16 2HB LEU 16 -10.895 4.507 2.835 124 HG LEU 16 HG LEU 16 -7.881 4.662 2.441 125 1HD1 LEU 16 1HD1 LEU 16 -9.625 3.662 4.711 126 2HD1 LEU 16 2HD1 LEU 16 -7.947 3.162 4.498 127 3HD1 LEU 16 3HD1 LEU 16 -8.339 4.883 4.765 128 1HD2 LEU 16 1HD2 LEU 16 -9.075 2.937 1.028 129 2HD2 LEU 16 2HD2 LEU 16 -7.920 2.271 2.192 130 3HD2 LEU 16 3HD2 LEU 16 -9.643 2.206 2.570 131 H ASP 17 H ASP 17 -10.971 7.980 1.553 132 HA ASP 17 HA ASP 17 -13.832 7.800 1.501 133 1HB ASP 17 1HB ASP 17 -12.273 9.727 2.420 134 2HB ASP 17 2HB ASP 17 -12.224 10.272 0.765 135 H GLU 18 H GLU 18 -11.569 8.013 -1.146 136 HA GLU 18 HA GLU 18 -13.734 8.732 -3.056 137 1HB GLU 18 1HB GLU 18 -10.744 8.416 -3.546 138 2HB GLU 18 2HB GLU 18 -11.937 8.919 -4.740 139 1HG GLU 18 1HG GLU 18 -12.280 10.655 -2.471 140 2HG GLU 18 2HG GLU 18 -10.548 10.495 -2.730 141 H CYS 19 H CYS 19 -11.206 6.228 -2.565 142 HA CYS 19 HA CYS 19 -11.875 4.318 -4.366 143 1HB CYS 19 1HB CYS 19 -10.880 4.079 -1.509 144 2HB CYS 19 2HB CYS 19 -10.838 2.784 -2.686 145 H LYS 20 H LYS 20 -13.292 4.826 -1.128 146 HA LYS 20 HA LYS 20 -14.990 2.561 -1.061 147 1HB LYS 20 1HB LYS 20 -16.245 3.676 0.676 148 2HB LYS 20 2HB LYS 20 -14.528 3.930 0.932 149 1HG LYS 20 1HG LYS 20 -15.104 6.054 1.329 150 2HG LYS 20 2HG LYS 20 -15.013 6.186 -0.420 151 1HD LYS 20 1HD LYS 20 -16.942 7.307 0.286 152 2HD LYS 20 2HD LYS 20 -17.519 5.790 -0.473 153 1HE LYS 20 1HE LYS 20 -17.359 4.903 2.011 154 2HE LYS 20 2HE LYS 20 -17.448 6.615 2.429 155 1HZ LYS 20 1HZ LYS 20 -19.524 6.676 1.121 156 2HZ LYS 20 2HZ LYS 20 -19.382 5.039 0.846 157 3HZ LYS 20 3HZ LYS 20 -19.613 5.581 2.365 158 H LYS 21 H LYS 21 -15.475 5.801 -2.567 159 HA LYS 21 HA LYS 21 -18.220 5.284 -3.236 160 1HB LYS 21 1HB LYS 21 -16.255 7.314 -4.408 161 2HB LYS 21 2HB LYS 21 -17.995 7.308 -4.624 162 1HG LYS 21 1HG LYS 21 -18.351 7.598 -2.197 163 2HG LYS 21 2HG LYS 21 -16.603 7.484 -1.932 164 1HD LYS 21 1HD LYS 21 -16.177 9.529 -3.107 165 2HD LYS 21 2HD LYS 21 -17.911 9.750 -3.427 166 1HE LYS 21 1HE LYS 21 -17.270 9.172 -0.577 167 2HE LYS 21 2HE LYS 21 -16.455 10.612 -1.171 168 1HZ LYS 21 1HZ LYS 21 -18.626 11.432 -1.914 169 2HZ LYS 21 2HZ LYS 21 -19.360 10.116 -1.170 170 3HZ LYS 21 3HZ LYS 21 -18.532 11.208 -0.283 171 H GLU 22 H GLU 22 -15.096 4.950 -4.937 172 HA GLU 22 HA GLU 22 -16.102 4.399 -7.487 173 1HB GLU 22 1HB GLU 22 -13.535 3.255 -6.320 174 2HB GLU 22 2HB GLU 22 -13.935 3.494 -8.034 175 1HG GLU 22 1HG GLU 22 -14.023 5.933 -7.669 176 2HG GLU 22 2HG GLU 22 -13.639 5.696 -5.986 177 H MET 23 H MET 23 -14.935 2.010 -5.049 178 HA MET 23 HA MET 23 -16.037 -0.193 -6.626 179 1HB MET 23 1HB MET 23 -14.934 -0.439 -3.862 180 2HB MET 23 2HB MET 23 -14.906 -1.601 -5.154 181 1HG MET 23 1HG MET 23 -13.318 0.602 -5.956 182 2HG MET 23 2HG MET 23 -12.866 0.179 -4.321 183 1HE MET 23 1HE MET 23 -13.855 -1.357 -7.714 184 2HE MET 23 2HE MET 23 -12.201 -0.842 -8.121 185 3HE MET 23 3HE MET 23 -12.598 -2.571 -8.025 186 H THR 24 H THR 24 -17.347 1.879 -4.318 187 HA THR 24 HA THR 24 -18.894 1.947 -2.813 188 HB THR 24 HB THR 24 -20.275 1.238 -4.678 189 HG1 THR 24 HG1 THR 24 -21.916 1.494 -3.459 190 1HG2 THR 24 1HG2 THR 24 -19.767 -1.456 -3.526 191 2HG2 THR 24 2HG2 THR 24 -21.429 -1.095 -3.995 192 3HG2 THR 24 3HG2 THR 24 -20.110 -0.974 -5.193 193 H LEU 25 H LEU 25 -16.505 0.680 -2.177 194 HA LEU 25 HA LEU 25 -16.785 -1.502 -0.344 195 1HB LEU 25 1HB LEU 25 -14.970 0.798 0.423 196 2HB LEU 25 2HB LEU 25 -14.769 -0.900 0.724 197 HG LEU 25 HG LEU 25 -14.403 0.371 -2.027 198 1HD1 LEU 25 1HD1 LEU 25 -12.341 -0.563 0.011 199 2HD1 LEU 25 2HD1 LEU 25 -12.006 -0.022 -1.650 200 3HD1 LEU 25 3HD1 LEU 25 -12.672 1.115 -0.466 201 1HD2 LEU 25 1HD2 LEU 25 -15.124 -2.061 -1.973 202 2HD2 LEU 25 2HD2 LEU 25 -13.513 -1.821 -2.634 203 3HD2 LEU 25 3HD2 LEU 25 -13.703 -2.412 -0.967 204 H THR 26 H THR 26 -16.423 -1.121 2.225 205 HA THR 26 HA THR 26 -18.871 0.100 3.143 206 HB THR 26 HB THR 26 -18.115 -1.184 5.230 207 HG1 THR 26 HG1 THR 26 -16.309 -2.600 4.910 208 1HG2 THR 26 1HG2 THR 26 -18.369 -2.764 2.609 209 2HG2 THR 26 2HG2 THR 26 -18.529 -3.406 4.244 210 3HG2 THR 26 3HG2 THR 26 -19.646 -2.157 3.683 211 H ASP 27 H ASP 27 -18.561 0.984 5.642 212 HA ASP 27 HA ASP 27 -16.538 3.166 5.483 213 1HB ASP 27 1HB ASP 27 -18.940 3.577 6.332 214 2HB ASP 27 2HB ASP 27 -18.465 2.700 7.776 215 H ALA 28 H ALA 28 -17.251 0.082 7.066 216 HA ALA 28 HA ALA 28 -15.453 0.273 9.188 217 1HB ALA 28 1HB ALA 28 -17.132 -1.477 9.037 218 2HB ALA 28 2HB ALA 28 -15.518 -2.197 9.228 219 3HB ALA 28 3HB ALA 28 -16.308 -2.198 7.635 220 H ILE 29 H ILE 29 -14.679 -0.365 5.776 221 HA ILE 29 HA ILE 29 -11.999 -1.249 5.959 222 HB ILE 29 HB ILE 29 -11.583 -0.227 3.888 223 1HG1 ILE 29 1HG1 ILE 29 -13.839 0.872 2.829 224 2HG1 ILE 29 2HG1 ILE 29 -14.036 1.378 4.523 225 1HG2 ILE 29 1HG2 ILE 29 -14.094 -1.845 4.041 226 2HG2 ILE 29 2HG2 ILE 29 -13.312 -1.367 2.516 227 3HG2 ILE 29 3HG2 ILE 29 -12.476 -2.378 3.711 228 1HD1 ILE 29 1HD1 ILE 29 -11.511 1.985 4.330 229 2HD1 ILE 29 2HD1 ILE 29 -11.814 1.866 2.587 230 3HD1 ILE 29 3HD1 ILE 29 -12.723 3.064 3.553 231 H ASN 30 H ASN 30 -13.255 1.908 6.978 232 HA ASN 30 HA ASN 30 -10.916 3.379 6.762 233 1HB ASN 30 1HB ASN 30 -13.212 4.207 7.603 234 2HB ASN 30 2HB ASN 30 -12.966 3.249 9.057 235 1HD2 ASN 30 1HD2 ASN 30 -11.800 6.029 7.283 236 2HD2 ASN 30 2HD2 ASN 30 -11.179 6.876 8.727 237 H GLU 31 H GLU 31 -11.879 0.989 9.239 238 HA GLU 31 HA GLU 31 -9.220 1.287 10.571 239 1HB GLU 31 1HB GLU 31 -11.988 0.885 11.657 240 2HB GLU 31 2HB GLU 31 -10.611 0.217 12.528 241 1HG GLU 31 1HG GLU 31 -10.724 3.150 11.706 242 2HG GLU 31 2HG GLU 31 -11.438 2.545 13.202 243 H ASP 32 H ASP 32 -11.694 -1.075 9.379 244 HA ASP 32 HA ASP 32 -10.377 -3.440 10.145 245 1HB ASP 32 1HB ASP 32 -12.698 -3.290 9.228 246 2HB ASP 32 2HB ASP 32 -12.030 -2.894 7.651 247 H PHE 33 H PHE 33 -9.772 -1.294 7.370 248 HA PHE 33 HA PHE 33 -7.756 -2.981 6.186 249 1HB PHE 33 1HB PHE 33 -9.008 -1.124 5.013 250 2HB PHE 33 2HB PHE 33 -8.127 0.035 6.018 251 HD1 PHE 33 HD1 PHE 33 -7.276 -2.982 3.991 252 HD2 PHE 33 HD2 PHE 33 -6.365 1.105 4.937 253 HE1 PHE 33 HE1 PHE 33 -5.300 -3.095 2.502 254 HE2 PHE 33 HE2 PHE 33 -4.462 1.002 3.310 255 HZ PHE 33 HZ PHE 33 -3.917 -1.055 2.135 256 H TYR 34 H TYR 34 -7.621 -0.103 8.378 257 HA TYR 34 HA TYR 34 -4.755 -0.030 8.483 258 1HB TYR 34 1HB TYR 34 -6.966 1.085 10.239 259 2HB TYR 34 2HB TYR 34 -5.294 1.168 10.726 260 HD1 TYR 34 HD1 TYR 34 -6.932 1.838 7.370 261 HD2 TYR 34 HD2 TYR 34 -4.630 3.384 10.685 262 HE1 TYR 34 HE1 TYR 34 -6.726 4.003 6.232 263 HE2 TYR 34 HE2 TYR 34 -4.523 5.576 9.593 264 HH TYR 34 HH TYR 34 -6.531 6.259 6.855 265 H ASN 35 H ASN 35 -7.186 -1.841 10.240 266 HA ASN 35 HA ASN 35 -5.556 -2.893 12.327 267 1HB ASN 35 1HB ASN 35 -8.112 -3.922 11.046 268 2HB ASN 35 2HB ASN 35 -7.301 -4.735 12.377 269 1HD2 ASN 35 1HD2 ASN 35 -9.977 -3.782 12.437 270 2HD2 ASN 35 2HD2 ASN 35 -10.053 -2.545 13.676 271 H PHE 36 H PHE 36 -6.028 -3.965 8.910 272 HA PHE 36 HA PHE 36 -5.191 -6.612 9.122 273 1HB PHE 36 1HB PHE 36 -5.888 -5.651 6.954 274 2HB PHE 36 2HB PHE 36 -4.613 -4.473 7.023 275 HD1 PHE 36 HD1 PHE 36 -4.716 -8.279 7.053 276 HD2 PHE 36 HD2 PHE 36 -2.967 -4.671 5.458 277 HE1 PHE 36 HE1 PHE 36 -3.191 -9.623 5.637 278 HE2 PHE 36 HE2 PHE 36 -1.382 -6.029 4.143 279 HZ PHE 36 HZ PHE 36 -1.486 -8.473 4.170 280 H TRP 37 H TRP 37 -3.276 -3.601 9.177 281 HA TRP 37 HA TRP 37 -0.673 -4.729 8.897 282 1HB TRP 37 1HB TRP 37 -1.401 -2.167 10.353 283 2HB TRP 37 2HB TRP 37 0.066 -2.507 9.472 284 HD1 TRP 37 HD1 TRP 37 -1.722 -3.556 6.817 285 HE1 TRP 37 HE1 TRP 37 -2.864 -1.807 5.341 286 HE3 TRP 37 HE3 TRP 37 -1.608 0.376 10.059 287 HZ2 TRP 37 HZ2 TRP 37 -3.457 1.035 5.491 288 HZ3 TRP 37 HZ3 TRP 37 -2.451 2.607 9.367 289 HH2 TRP 37 HH2 TRP 37 -3.360 2.952 7.082 290 H LYS 38 H LYS 38 -2.783 -4.361 11.677 291 HA LYS 38 HA LYS 38 -0.741 -4.371 13.758 292 1HB LYS 38 1HB LYS 38 -3.734 -4.968 13.809 293 2HB LYS 38 2HB LYS 38 -2.733 -4.783 15.233 294 1HG LYS 38 1HG LYS 38 -2.355 -2.403 14.670 295 2HG LYS 38 2HG LYS 38 -3.285 -2.588 13.173 296 1HD LYS 38 1HD LYS 38 -5.268 -3.292 14.483 297 2HD LYS 38 2HD LYS 38 -4.402 -3.027 15.983 298 1HE LYS 38 1HE LYS 38 -4.646 -0.811 13.932 299 2HE LYS 38 2HE LYS 38 -6.013 -1.221 14.954 300 1HZ LYS 38 1HZ LYS 38 -3.395 -0.378 16.007 301 2HZ LYS 38 2HZ LYS 38 -4.763 0.548 15.919 302 3HZ LYS 38 3HZ LYS 38 -4.748 -0.740 16.895 303 H GLU 39 H GLU 39 -0.044 -6.300 14.856 304 HA GLU 39 HA GLU 39 -0.250 -8.731 13.283 305 1HB GLU 39 1HB GLU 39 0.857 -8.020 16.013 306 2HB GLU 39 2HB GLU 39 0.771 -9.711 15.469 307 1HG GLU 39 1HG GLU 39 2.040 -9.072 13.419 308 2HG GLU 39 2HG GLU 39 2.254 -7.457 14.085 309 H GLY 40 H GLY 40 -1.365 -10.569 13.704 310 1HA GLY 40 1HA GLY 40 -3.055 -10.937 16.070 311 2HA GLY 40 2HA GLY 40 -2.708 -12.067 14.744 312 H TYR 41 H TYR 41 -3.456 -9.319 13.151 313 HA TYR 41 HA TYR 41 -6.385 -9.710 13.190 314 1HB TYR 41 1HB TYR 41 -4.545 -7.441 12.888 315 2HB TYR 41 2HB TYR 41 -5.771 -7.509 11.669 316 HD1 TYR 41 HD1 TYR 41 -5.050 -6.230 14.819 317 HD2 TYR 41 HD2 TYR 41 -8.223 -8.115 12.663 318 HE1 TYR 41 HE1 TYR 41 -6.648 -4.783 15.987 319 HE2 TYR 41 HE2 TYR 41 -9.891 -6.654 13.784 320 HH TYR 41 HH TYR 41 -9.762 -4.238 14.888 321 H GLU 42 H GLU 42 -6.527 -11.504 11.942 322 HA GLU 42 HA GLU 42 -5.178 -11.882 9.432 323 1HB GLU 42 1HB GLU 42 -6.306 -13.478 11.408 324 2HB GLU 42 2HB GLU 42 -7.464 -13.590 10.105 325 1HG GLU 42 1HG GLU 42 -5.868 -15.377 9.950 326 2HG GLU 42 2HG GLU 42 -5.726 -14.304 8.557 327 H ILE 43 H ILE 43 -6.152 -9.527 9.019 328 HA ILE 43 HA ILE 43 -8.892 -9.449 8.025 329 HB ILE 43 HB ILE 43 -6.816 -7.346 7.853 330 1HG1 ILE 43 1HG1 ILE 43 -7.161 -7.702 10.132 331 2HG1 ILE 43 2HG1 ILE 43 -8.242 -6.396 9.711 332 1HG2 ILE 43 1HG2 ILE 43 -9.485 -7.615 6.707 333 2HG2 ILE 43 2HG2 ILE 43 -9.468 -6.322 7.897 334 3HG2 ILE 43 3HG2 ILE 43 -8.303 -6.266 6.597 335 1HD1 ILE 43 1HD1 ILE 43 -10.080 -8.120 9.507 336 2HD1 ILE 43 2HD1 ILE 43 -8.960 -9.203 10.386 337 3HD1 ILE 43 3HD1 ILE 43 -9.521 -7.680 11.108 338 H LYS 44 H LYS 44 -8.498 -11.263 6.573 339 HA LYS 44 HA LYS 44 -7.092 -10.618 4.033 340 1HB LYS 44 1HB LYS 44 -7.367 -12.936 3.468 341 2HB LYS 44 2HB LYS 44 -6.420 -12.659 4.932 342 1HG LYS 44 1HG LYS 44 -7.933 -13.643 6.313 343 2HG LYS 44 2HG LYS 44 -9.325 -13.045 5.412 344 1HD LYS 44 1HD LYS 44 -9.084 -15.493 5.373 345 2HD LYS 44 2HD LYS 44 -9.171 -14.746 3.762 346 1HE LYS 44 1HE LYS 44 -6.662 -14.885 3.637 347 2HE LYS 44 2HE LYS 44 -6.667 -15.694 5.217 348 1HZ LYS 44 1HZ LYS 44 -8.189 -17.359 4.108 349 2HZ LYS 44 2HZ LYS 44 -7.683 -16.704 2.654 350 3HZ LYS 44 3HZ LYS 44 -6.606 -17.394 3.685 351 H ASN 45 H ASN 45 -9.813 -9.429 4.950 352 HA ASN 45 HA ASN 45 -11.671 -10.700 3.160 353 1HB ASN 45 1HB ASN 45 -12.491 -9.448 5.143 354 2HB ASN 45 2HB ASN 45 -11.971 -7.930 4.352 355 1HD2 ASN 45 1HD2 ASN 45 -13.851 -6.966 3.267 356 2HD2 ASN 45 2HD2 ASN 45 -14.939 -7.954 2.302 357 H ARG 46 H ARG 46 -12.604 -9.778 1.417 358 HA ARG 46 HA ARG 46 -10.831 -9.212 -0.695 359 1HB ARG 46 1HB ARG 46 -13.748 -8.461 -0.797 360 2HB ARG 46 2HB ARG 46 -12.688 -9.029 -2.091 361 1HG ARG 46 1HG ARG 46 -12.645 -11.290 -1.112 362 2HG ARG 46 2HG ARG 46 -13.584 -10.748 0.273 363 1HD ARG 46 1HD ARG 46 -15.434 -10.125 -1.030 364 2HD ARG 46 2HD ARG 46 -14.547 -10.354 -2.558 365 HE ARG 46 HE ARG 46 -14.396 -12.791 -1.899 366 1HH1 ARG 46 1HH1 ARG 46 -15.895 -14.141 -2.901 367 2HH1 ARG 46 2HH1 ARG 46 -17.606 -13.995 -2.546 368 1HH2 ARG 46 1HH2 ARG 46 -17.215 -10.707 -1.323 369 2HH2 ARG 46 2HH2 ARG 46 -18.321 -11.874 -1.985 370 H GLU 47 H GLU 47 -13.026 -6.941 1.080 371 HA GLU 47 HA GLU 47 -12.394 -4.698 -0.507 372 1HB GLU 47 1HB GLU 47 -13.611 -4.997 2.225 373 2HB GLU 47 2HB GLU 47 -13.508 -3.455 1.391 374 1HG GLU 47 1HG GLU 47 -15.209 -3.906 0.000 375 2HG GLU 47 2HG GLU 47 -14.640 -5.509 -0.379 376 H THR 48 H THR 48 -10.599 -6.081 2.302 377 HA THR 48 HA THR 48 -8.833 -3.979 2.797 378 HB THR 48 HB THR 48 -8.145 -6.926 2.679 379 HG1 THR 48 HG1 THR 48 -8.899 -6.830 4.903 380 1HG2 THR 48 1HG2 THR 48 -6.309 -5.232 3.234 381 2HG2 THR 48 2HG2 THR 48 -7.185 -4.978 4.771 382 3HG2 THR 48 3HG2 THR 48 -6.559 -6.569 4.346 383 H GLY 49 H GLY 49 -8.795 -6.505 0.275 384 1HA GLY 49 1HA GLY 49 -7.506 -6.760 -1.612 385 2HA GLY 49 2HA GLY 49 -6.311 -5.643 -0.944 386 H CYS 50 H CYS 50 -9.789 -4.926 -1.487 387 HA CYS 50 HA CYS 50 -9.469 -3.507 -3.943 388 1HB CYS 50 1HB CYS 50 -11.429 -2.990 -1.702 389 2HB CYS 50 2HB CYS 50 -11.549 -2.390 -3.325 390 H ALA 51 H ALA 51 -9.194 -2.407 -0.493 391 HA ALA 51 HA ALA 51 -8.830 0.296 -1.177 392 1HB ALA 51 1HB ALA 51 -7.483 0.369 1.078 393 2HB ALA 51 2HB ALA 51 -9.165 -0.173 1.152 394 3HB ALA 51 3HB ALA 51 -7.806 -1.345 1.196 395 H ILE 52 H ILE 52 -6.400 -2.390 -0.810 396 HA ILE 52 HA ILE 52 -4.138 -0.773 -1.313 397 HB ILE 52 HB ILE 52 -4.761 -3.653 -1.899 398 1HG1 ILE 52 1HG1 ILE 52 -3.108 -2.478 0.369 399 2HG1 ILE 52 2HG1 ILE 52 -4.821 -2.799 0.500 400 1HG2 ILE 52 1HG2 ILE 52 -2.778 -2.901 -3.265 401 2HG2 ILE 52 2HG2 ILE 52 -2.033 -2.277 -1.793 402 3HG2 ILE 52 3HG2 ILE 52 -2.303 -4.028 -1.998 403 1HD1 ILE 52 1HD1 ILE 52 -4.467 -5.178 0.101 404 2HD1 ILE 52 2HD1 ILE 52 -2.714 -4.895 -0.011 405 3HD1 ILE 52 3HD1 ILE 52 -3.566 -4.589 1.510 406 H MET 53 H MET 53 -6.131 -2.658 -3.609 407 HA MET 53 HA MET 53 -4.633 -1.994 -5.931 408 1HB MET 53 1HB MET 53 -6.153 -3.952 -5.520 409 2HB MET 53 2HB MET 53 -7.493 -2.872 -5.417 410 1HG MET 53 1HG MET 53 -5.897 -2.781 -7.953 411 2HG MET 53 2HG MET 53 -6.662 -4.314 -7.556 412 1HE MET 53 1HE MET 53 -9.203 -4.533 -6.960 413 2HE MET 53 2HE MET 53 -9.477 -3.014 -6.070 414 3HE MET 53 3HE MET 53 -10.481 -3.394 -7.460 415 H CYS 54 H CYS 54 -7.085 -0.209 -4.213 416 HA CYS 54 HA CYS 54 -7.466 1.640 -6.509 417 1HB CYS 54 1HB CYS 54 -9.396 1.186 -5.230 418 2HB CYS 54 2HB CYS 54 -8.646 1.631 -3.700 419 H LEU 55 H LEU 55 -6.075 1.988 -3.185 420 HA LEU 55 HA LEU 55 -4.849 4.276 -3.759 421 1HB LEU 55 1HB LEU 55 -4.490 2.007 -1.752 422 2HB LEU 55 2HB LEU 55 -3.373 3.218 -1.774 423 HG LEU 55 HG LEU 55 -5.336 4.895 -1.940 424 1HD1 LEU 55 1HD1 LEU 55 -6.036 2.587 -0.365 425 2HD1 LEU 55 2HD1 LEU 55 -7.040 4.150 -0.269 426 3HD1 LEU 55 3HD1 LEU 55 -6.700 3.292 -1.892 427 1HD2 LEU 55 1HD2 LEU 55 -4.415 3.504 0.604 428 2HD2 LEU 55 2HD2 LEU 55 -3.519 4.887 -0.071 429 3HD2 LEU 55 3HD2 LEU 55 -5.152 5.116 0.643 430 H SER 56 H SER 56 -3.719 1.263 -4.951 431 HA SER 56 HA SER 56 -1.099 2.242 -5.457 432 1HB SER 56 1HB SER 56 -0.908 0.380 -6.900 433 2HB SER 56 2HB SER 56 -1.833 -0.177 -5.553 434 HG SER 56 HG SER 56 -2.421 -0.416 -7.987 435 H THR 57 H THR 57 -4.223 3.253 -6.548 436 HA THR 57 HA THR 57 -2.885 4.503 -8.953 437 HB THR 57 HB THR 57 -4.225 2.792 -9.739 438 HG1 THR 57 HG1 THR 57 -4.157 4.532 -10.942 439 1HG2 THR 57 1HG2 THR 57 -6.458 4.015 -8.120 440 2HG2 THR 57 2HG2 THR 57 -6.766 3.014 -9.548 441 3HG2 THR 57 3HG2 THR 57 -5.948 2.312 -8.153 442 H LYS 58 H LYS 58 -3.065 5.342 -6.174 443 HA LYS 58 HA LYS 58 -4.232 8.080 -6.521 444 1HB LYS 58 1HB LYS 58 -4.360 6.241 -4.091 445 2HB LYS 58 2HB LYS 58 -4.965 7.868 -4.094 446 1HG LYS 58 1HG LYS 58 -6.178 5.969 -6.102 447 2HG LYS 58 2HG LYS 58 -6.605 5.834 -4.374 448 1HD LYS 58 1HD LYS 58 -7.231 8.136 -4.307 449 2HD LYS 58 2HD LYS 58 -6.783 8.358 -6.012 450 1HE LYS 58 1HE LYS 58 -8.602 6.085 -5.670 451 2HE LYS 58 2HE LYS 58 -9.259 7.522 -4.874 452 1HZ LYS 58 1HZ LYS 58 -8.379 7.499 -7.688 453 2HZ LYS 58 2HZ LYS 58 -9.910 7.204 -7.207 454 3HZ LYS 58 3HZ LYS 58 -9.254 8.685 -6.920 455 H LEU 59 H LEU 59 -1.330 7.046 -6.686 456 HA LEU 59 HA LEU 59 0.036 7.530 -4.224 457 1HB LEU 59 1HB LEU 59 1.135 8.136 -6.976 458 2HB LEU 59 2HB LEU 59 2.040 7.741 -5.521 459 HG LEU 59 HG LEU 59 0.167 5.863 -6.945 460 1HD1 LEU 59 1HD1 LEU 59 2.178 6.619 -8.323 461 2HD1 LEU 59 2HD1 LEU 59 3.176 5.737 -7.144 462 3HD1 LEU 59 3HD1 LEU 59 1.953 4.892 -8.143 463 1HD2 LEU 59 1HD2 LEU 59 0.591 5.270 -4.550 464 2HD2 LEU 59 2HD2 LEU 59 1.061 4.073 -5.743 465 3HD2 LEU 59 3HD2 LEU 59 2.312 5.061 -4.982 466 H ASN 60 H ASN 60 -1.077 9.755 -6.709 467 HA ASN 60 HA ASN 60 0.263 12.137 -5.862 468 1HB ASN 60 1HB ASN 60 -1.376 13.224 -7.227 469 2HB ASN 60 2HB ASN 60 -0.840 11.766 -8.073 470 1HD2 ASN 60 1HD2 ASN 60 -3.569 13.505 -7.793 471 2HD2 ASN 60 2HD2 ASN 60 -4.754 12.203 -7.765 472 H MET 61 H MET 61 -2.337 10.381 -4.414 473 HA MET 61 HA MET 61 -3.335 12.730 -2.893 474 1HB MET 61 1HB MET 61 -4.274 9.839 -2.914 475 2HB MET 61 2HB MET 61 -5.010 11.208 -2.105 476 1HG MET 61 1HG MET 61 -4.772 11.383 -5.065 477 2HG MET 61 2HG MET 61 -5.947 10.287 -4.371 478 1HE MET 61 1HE MET 61 -7.753 10.836 -2.659 479 2HE MET 61 2HE MET 61 -6.992 12.042 -1.624 480 3HE MET 61 3HE MET 61 -8.505 12.424 -2.487 481 H LEU 62 H LEU 62 -1.152 9.949 -2.627 482 HA LEU 62 HA LEU 62 -1.164 9.973 0.303 483 1HB LEU 62 1HB LEU 62 0.478 8.495 -1.789 484 2HB LEU 62 2HB LEU 62 0.484 8.070 -0.108 485 HG LEU 62 HG LEU 62 -1.951 8.013 -1.871 486 1HD1 LEU 62 1HD1 LEU 62 -0.192 6.442 -2.572 487 2HD1 LEU 62 2HD1 LEU 62 -0.274 5.637 -1.008 488 3HD1 LEU 62 3HD1 LEU 62 -1.696 5.653 -2.098 489 1HD2 LEU 62 1HD2 LEU 62 -2.050 8.107 0.816 490 2HD2 LEU 62 2HD2 LEU 62 -3.159 7.111 -0.118 491 3HD2 LEU 62 3HD2 LEU 62 -1.729 6.379 0.664 492 H ASP 63 H ASP 63 0.867 10.915 -2.379 493 HA ASP 63 HA ASP 63 2.750 12.238 -0.456 494 1HB ASP 63 1HB ASP 63 3.790 10.392 -1.623 495 2HB ASP 63 2HB ASP 63 3.458 11.179 -3.180 496 HA PRO 64 HA PRO 64 0.660 15.615 -2.517 497 1HB PRO 64 1HB PRO 64 1.655 17.667 -0.906 498 2HB PRO 64 2HB PRO 64 0.188 16.705 -0.524 499 1HG PRO 64 1HG PRO 64 3.004 16.404 0.525 500 2HG PRO 64 2HG PRO 64 1.448 16.199 1.394 501 1HD PRO 64 1HD PRO 64 2.889 14.081 0.531 502 2HD PRO 64 2HD PRO 64 1.102 14.070 0.537 503 H GLU 65 H GLU 65 4.078 15.353 -1.748 504 HA GLU 65 HA GLU 65 4.955 17.579 -3.375 505 1HB GLU 65 1HB GLU 65 6.576 15.111 -2.627 506 2HB GLU 65 2HB GLU 65 7.178 16.663 -3.213 507 1HG GLU 65 1HG GLU 65 6.369 17.772 -1.165 508 2HG GLU 65 2HG GLU 65 5.703 16.232 -0.596 509 H GLY 66 H GLY 66 3.952 14.278 -4.031 510 1HA GLY 66 1HA GLY 66 4.443 14.503 -6.881 511 2HA GLY 66 2HA GLY 66 3.523 13.256 -6.048 512 H ASN 67 H ASN 67 6.322 13.295 -4.280 513 HA ASN 67 HA ASN 67 8.346 12.295 -6.066 514 1HB ASN 67 1HB ASN 67 8.037 12.355 -3.083 515 2HB ASN 67 2HB ASN 67 9.115 11.162 -3.762 516 1HD2 ASN 67 1HD2 ASN 67 8.515 14.559 -3.387 517 2HD2 ASN 67 2HD2 ASN 67 10.231 14.903 -3.385 518 H LEU 68 H LEU 68 5.847 10.667 -4.100 519 HA LEU 68 HA LEU 68 6.709 8.017 -4.766 520 1HB LEU 68 1HB LEU 68 5.237 8.626 -2.821 521 2HB LEU 68 2HB LEU 68 3.957 9.041 -3.960 522 HG LEU 68 HG LEU 68 3.921 6.698 -4.777 523 1HD1 LEU 68 1HD1 LEU 68 6.400 6.299 -3.607 524 2HD1 LEU 68 2HD1 LEU 68 5.318 5.541 -2.441 525 3HD1 LEU 68 3HD1 LEU 68 5.288 5.034 -4.130 526 1HD2 LEU 68 1HD2 LEU 68 3.550 7.073 -1.775 527 2HD2 LEU 68 2HD2 LEU 68 2.360 7.452 -3.044 528 3HD2 LEU 68 3HD2 LEU 68 2.825 5.765 -2.743 529 H HIS 69 H HIS 69 7.158 8.024 -7.026 530 HA HIS 69 HA HIS 69 4.864 8.474 -8.832 531 1HB HIS 69 1HB HIS 69 7.753 7.861 -9.336 532 2HB HIS 69 2HB HIS 69 6.610 7.914 -10.606 533 HD1 HIS 69 HD1 HIS 69 5.021 10.565 -9.854 534 HD2 HIS 69 HD2 HIS 69 9.202 10.035 -9.710 535 HE1 HIS 69 HE1 HIS 69 6.046 12.848 -10.271 536 H HIS 70 H HIS 70 4.556 7.031 -10.434 537 HA HIS 70 HA HIS 70 3.889 4.312 -9.574 538 1HB HIS 70 1HB HIS 70 2.293 5.350 -10.929 539 2HB HIS 70 2HB HIS 70 3.486 5.992 -12.037 540 HD1 HIS 70 HD1 HIS 70 1.288 4.816 -13.574 541 HD2 HIS 70 HD2 HIS 70 4.190 2.342 -11.855 542 HE1 HIS 70 HE1 HIS 70 1.415 2.734 -15.038 543 H GLY 71 H GLY 71 5.272 2.736 -9.608 544 1HA GLY 71 1HA GLY 71 7.130 2.106 -11.617 545 2HA GLY 71 2HA GLY 71 7.039 1.394 -9.995 546 H ASN 72 H ASN 72 7.444 4.420 -8.983 547 HA ASN 72 HA ASN 72 10.311 4.128 -8.861 548 1HB ASN 72 1HB ASN 72 9.816 5.457 -11.048 549 2HB ASN 72 2HB ASN 72 9.359 6.782 -10.008 550 1HD2 ASN 72 1HD2 ASN 72 11.543 6.906 -11.691 551 2HD2 ASN 72 2HD2 ASN 72 13.055 6.791 -10.819 552 H ALA 73 H ALA 73 9.575 3.799 -6.671 553 HA ALA 73 HA ALA 73 8.600 6.197 -5.234 554 1HB ALA 73 1HB ALA 73 7.518 3.943 -4.933 555 2HB ALA 73 2HB ALA 73 8.173 4.614 -3.426 556 3HB ALA 73 3HB ALA 73 9.056 3.345 -4.282 557 H MET 74 H MET 74 11.560 5.974 -6.335 558 HA MET 74 HA MET 74 13.009 4.804 -4.094 559 1HB MET 74 1HB MET 74 13.784 5.889 -6.827 560 2HB MET 74 2HB MET 74 14.985 5.516 -5.598 561 1HG MET 74 1HG MET 74 14.097 3.222 -5.395 562 2HG MET 74 2HG MET 74 13.001 3.530 -6.748 563 1HE MET 74 1HE MET 74 14.215 1.205 -7.648 564 2HE MET 74 2HE MET 74 15.963 1.094 -7.989 565 3HE MET 74 3HE MET 74 15.394 1.218 -6.323 566 H GLU 75 H GLU 75 12.341 8.100 -5.297 567 HA GLU 75 HA GLU 75 14.315 9.307 -3.454 568 1HB GLU 75 1HB GLU 75 12.238 10.485 -5.334 569 2HB GLU 75 2HB GLU 75 13.080 11.409 -4.119 570 1HG GLU 75 1HG GLU 75 15.276 10.740 -5.143 571 2HG GLU 75 2HG GLU 75 14.397 9.936 -6.425 572 H PHE 76 H PHE 76 10.769 8.730 -3.711 573 HA PHE 76 HA PHE 76 9.994 9.921 -1.238 574 1HB PHE 76 1HB PHE 76 8.259 9.342 -2.744 575 2HB PHE 76 2HB PHE 76 8.922 7.755 -3.070 576 HD1 PHE 76 HD1 PHE 76 6.888 9.744 -0.740 577 HD2 PHE 76 HD2 PHE 76 8.505 5.871 -1.635 578 HE1 PHE 76 HE1 PHE 76 5.350 8.731 0.923 579 HE2 PHE 76 HE2 PHE 76 6.876 4.812 -0.036 580 HZ PHE 76 HZ PHE 76 5.368 6.251 1.291 581 H ALA 77 H ALA 77 11.104 6.575 -1.907 582 HA ALA 77 HA ALA 77 10.797 5.792 0.823 583 1HB ALA 77 1HB ALA 77 10.779 4.239 -1.151 584 2HB ALA 77 2HB ALA 77 11.880 3.750 0.129 585 3HB ALA 77 3HB ALA 77 12.530 4.517 -1.335 586 H LYS 78 H LYS 78 13.522 7.211 -1.026 587 HA LYS 78 HA LYS 78 15.443 6.884 1.061 588 1HB LYS 78 1HB LYS 78 15.212 8.621 -1.390 589 2HB LYS 78 2HB LYS 78 16.329 9.131 -0.127 590 1HG LYS 78 1HG LYS 78 17.300 6.807 -0.101 591 2HG LYS 78 2HG LYS 78 16.335 6.420 -1.526 592 1HD LYS 78 1HD LYS 78 17.527 7.837 -2.892 593 2HD LYS 78 2HD LYS 78 18.025 8.920 -1.610 594 1HE LYS 78 1HE LYS 78 19.066 6.072 -1.892 595 2HE LYS 78 2HE LYS 78 19.899 7.487 -2.554 596 1HZ LYS 78 1HZ LYS 78 19.155 7.352 0.292 597 2HZ LYS 78 2HZ LYS 78 20.562 6.717 -0.206 598 3HZ LYS 78 3HZ LYS 78 20.246 8.336 -0.408 599 H LYS 79 H LYS 79 12.810 9.217 0.736 600 HA LYS 79 HA LYS 79 13.633 10.974 2.857 601 1HB LYS 79 1HB LYS 79 10.843 10.205 2.043 602 2HB LYS 79 2HB LYS 79 11.300 11.432 3.219 603 1HG LYS 79 1HG LYS 79 12.695 12.602 1.527 604 2HG LYS 79 2HG LYS 79 12.149 11.480 0.276 605 1HD LYS 79 1HD LYS 79 10.246 13.032 2.021 606 2HD LYS 79 2HD LYS 79 10.927 13.766 0.556 607 1HE LYS 79 1HE LYS 79 10.065 12.051 -0.872 608 2HE LYS 79 2HE LYS 79 9.436 11.109 0.491 609 1HZ LYS 79 1HZ LYS 79 8.426 13.836 -0.110 610 2HZ LYS 79 2HZ LYS 79 7.761 12.483 -0.796 611 3HZ LYS 79 3HZ LYS 79 7.715 12.726 0.806 612 H HIS 80 H HIS 80 12.469 7.590 2.925 613 HA HIS 80 HA HIS 80 12.166 7.716 5.864 614 1HB HIS 80 1HB HIS 80 11.390 5.606 3.860 615 2HB HIS 80 2HB HIS 80 10.922 5.654 5.561 616 HD1 HIS 80 HD1 HIS 80 9.078 5.940 2.622 617 HD2 HIS 80 HD2 HIS 80 9.932 8.747 5.630 618 HE1 HIS 80 HE1 HIS 80 7.232 7.672 2.552 619 H GLY 81 H GLY 81 14.668 7.330 3.813 620 1HA GLY 81 1HA GLY 81 16.192 5.791 5.711 621 2HA GLY 81 2HA GLY 81 16.727 6.394 4.132 622 H ALA 82 H ALA 82 14.522 4.983 2.655 623 HA ALA 82 HA ALA 82 15.826 2.301 2.678 624 1HB ALA 82 1HB ALA 82 14.064 2.190 0.657 625 2HB ALA 82 2HB ALA 82 13.696 1.655 2.306 626 3HB ALA 82 3HB ALA 82 13.177 3.263 1.768 627 H ASP 83 H ASP 83 17.526 2.078 1.267 628 HA ASP 83 HA ASP 83 18.186 4.234 -0.568 629 1HB ASP 83 1HB ASP 83 20.084 2.649 -1.159 630 2HB ASP 83 2HB ASP 83 20.097 3.370 0.407 631 H GLU 84 H GLU 84 19.071 3.187 -2.766 632 HA GLU 84 HA GLU 84 16.713 2.559 -4.295 633 1HB GLU 84 1HB GLU 84 18.099 3.801 -5.556 634 2HB GLU 84 2HB GLU 84 19.539 3.310 -4.652 635 1HG GLU 84 1HG GLU 84 19.815 1.355 -5.921 636 2HG GLU 84 2HG GLU 84 18.280 1.597 -6.800 637 H THR 85 H THR 85 19.469 0.645 -3.048 638 HA THR 85 HA THR 85 18.770 -1.730 -4.539 639 HB THR 85 HB THR 85 20.375 -1.402 -1.953 640 HG1 THR 85 HG1 THR 85 22.017 -1.559 -3.924 641 1HG2 THR 85 1HG2 THR 85 20.524 -3.515 -4.129 642 2HG2 THR 85 2HG2 THR 85 21.660 -3.360 -2.759 643 3HG2 THR 85 3HG2 THR 85 19.961 -3.756 -2.464 644 H MET 86 H MET 86 18.044 -0.515 -1.250 645 HA MET 86 HA MET 86 16.417 -2.683 -0.311 646 1HB MET 86 1HB MET 86 16.712 0.323 0.187 647 2HB MET 86 2HB MET 86 15.366 -0.505 0.886 648 1HG MET 86 1HG MET 86 16.935 -2.034 2.064 649 2HG MET 86 2HG MET 86 18.295 -1.165 1.362 650 1HE MET 86 1HE MET 86 19.043 -1.218 3.817 651 2HE MET 86 2HE MET 86 18.466 -0.085 5.064 652 3HE MET 86 3HE MET 86 17.557 -1.580 4.734 653 H ALA 87 H ALA 87 15.557 0.312 -2.136 654 HA ALA 87 HA ALA 87 12.827 -0.349 -2.390 655 1HB ALA 87 1HB ALA 87 13.776 1.882 -2.949 656 2HB ALA 87 2HB ALA 87 14.628 1.181 -4.328 657 3HB ALA 87 3HB ALA 87 12.858 1.220 -4.316 658 H GLN 88 H GLN 88 15.441 -0.974 -4.735 659 HA GLN 88 HA GLN 88 13.789 -2.309 -6.527 660 1HB GLN 88 1HB GLN 88 16.232 -1.409 -6.783 661 2HB GLN 88 2HB GLN 88 16.729 -2.983 -6.180 662 1HG GLN 88 1HG GLN 88 16.729 -3.224 -8.539 663 2HG GLN 88 2HG GLN 88 15.208 -3.954 -8.086 664 1HE2 GLN 88 1HE2 GLN 88 13.156 -2.747 -8.652 665 2HE2 GLN 88 2HE2 GLN 88 13.268 -1.430 -9.819 666 H GLN 89 H GLN 89 15.449 -3.659 -3.704 667 HA GLN 89 HA GLN 89 14.874 -6.428 -4.093 668 1HB GLN 89 1HB GLN 89 15.351 -4.624 -1.729 669 2HB GLN 89 2HB GLN 89 14.672 -6.182 -1.396 670 1HG GLN 89 1HG GLN 89 17.173 -5.930 -3.082 671 2HG GLN 89 2HG GLN 89 17.230 -5.896 -1.342 672 1HE2 GLN 89 1HE2 GLN 89 18.296 -7.965 -1.036 673 2HE2 GLN 89 2HE2 GLN 89 17.346 -9.434 -1.330 674 H LEU 90 H LEU 90 12.813 -3.807 -2.639 675 HA LEU 90 HA LEU 90 10.698 -5.700 -2.004 676 1HB LEU 90 1HB LEU 90 10.776 -2.665 -2.153 677 2HB LEU 90 2HB LEU 90 9.435 -3.589 -1.539 678 HG LEU 90 HG LEU 90 12.216 -3.469 -0.302 679 1HD1 LEU 90 1HD1 LEU 90 10.931 -1.386 -0.092 680 2HD1 LEU 90 2HD1 LEU 90 9.574 -2.258 0.630 681 3HD1 LEU 90 3HD1 LEU 90 11.157 -2.132 1.442 682 1HD2 LEU 90 1HD2 LEU 90 10.867 -5.644 0.150 683 2HD2 LEU 90 2HD2 LEU 90 11.531 -4.756 1.522 684 3HD2 LEU 90 3HD2 LEU 90 9.817 -4.593 1.136 685 H ILE 91 H ILE 91 11.302 -3.378 -4.616 686 HA ILE 91 HA ILE 91 8.880 -3.637 -6.063 687 HB ILE 91 HB ILE 91 11.744 -2.970 -6.663 688 1HG1 ILE 91 1HG1 ILE 91 9.486 -1.137 -7.359 689 2HG1 ILE 91 2HG1 ILE 91 9.729 -1.457 -5.650 690 1HG2 ILE 91 1HG2 ILE 91 9.686 -3.462 -8.800 691 2HG2 ILE 91 2HG2 ILE 91 10.934 -2.247 -9.026 692 3HG2 ILE 91 3HG2 ILE 91 11.358 -3.965 -8.723 693 1HD1 ILE 91 1HD1 ILE 91 11.966 -0.483 -7.472 694 2HD1 ILE 91 2HD1 ILE 91 10.900 0.573 -6.516 695 3HD1 ILE 91 3HD1 ILE 91 11.911 -0.588 -5.690 696 H ASP 92 H ASP 92 11.840 -5.658 -6.193 697 HA ASP 92 HA ASP 92 10.929 -7.398 -8.260 698 1HB ASP 92 1HB ASP 92 13.263 -7.180 -6.944 699 2HB ASP 92 2HB ASP 92 12.629 -8.430 -5.946 700 H ILE 93 H ILE 93 10.787 -7.703 -4.803 701 HA ILE 93 HA ILE 93 9.266 -10.066 -4.618 702 HB ILE 93 HB ILE 93 9.340 -7.615 -2.814 703 1HG1 ILE 93 1HG1 ILE 93 10.607 -10.369 -2.619 704 2HG1 ILE 93 2HG1 ILE 93 11.445 -8.945 -3.156 705 1HG2 ILE 93 1HG2 ILE 93 7.961 -10.273 -2.387 706 2HG2 ILE 93 2HG2 ILE 93 8.340 -9.107 -1.090 707 3HG2 ILE 93 3HG2 ILE 93 7.219 -8.661 -2.356 708 1HD1 ILE 93 1HD1 ILE 93 11.010 -7.845 -0.949 709 2HD1 ILE 93 2HD1 ILE 93 10.392 -9.400 -0.353 710 3HD1 ILE 93 3HD1 ILE 93 12.071 -9.269 -0.894 711 H VAL 94 H VAL 94 7.953 -6.705 -5.155 712 HA VAL 94 HA VAL 94 5.219 -7.443 -4.832 713 HB VAL 94 HB VAL 94 6.557 -5.239 -6.458 714 1HG1 VAL 94 1HG1 VAL 94 3.535 -5.734 -6.246 715 2HG1 VAL 94 2HG1 VAL 94 4.247 -4.143 -6.554 716 3HG1 VAL 94 3HG1 VAL 94 4.502 -5.423 -7.683 717 1HG2 VAL 94 1HG2 VAL 94 6.612 -5.217 -3.969 718 2HG2 VAL 94 2HG2 VAL 94 5.662 -3.893 -4.672 719 3HG2 VAL 94 3HG2 VAL 94 4.854 -5.315 -3.953 720 H HIS 95 H HIS 95 7.180 -7.195 -7.840 721 HA HIS 95 HA HIS 95 4.982 -8.265 -9.405 722 1HB HIS 95 1HB HIS 95 7.951 -7.982 -10.039 723 2HB HIS 95 2HB HIS 95 6.654 -8.292 -11.205 724 HD1 HIS 95 HD1 HIS 95 8.609 -5.630 -11.091 725 HD2 HIS 95 HD2 HIS 95 4.656 -5.968 -9.678 726 HE1 HIS 95 HE1 HIS 95 7.535 -3.314 -11.278 727 H GLY 96 H GLY 96 7.732 -9.599 -7.642 728 1HA GLY 96 1HA GLY 96 8.296 -11.707 -7.038 729 2HA GLY 96 2HA GLY 96 7.708 -12.257 -8.623 730 H CYS 97 H CYS 97 5.709 -10.610 -6.330 731 HA CYS 97 HA CYS 97 4.506 -13.040 -5.178 732 1HB CYS 97 1HB CYS 97 4.172 -10.063 -4.673 733 2HB CYS 97 2HB CYS 97 3.000 -11.221 -4.077 734 H GLU 98 H GLU 98 3.675 -10.445 -7.512 735 HA GLU 98 HA GLU 98 0.998 -11.186 -8.024 736 1HB GLU 98 1HB GLU 98 3.187 -10.192 -9.845 737 2HB GLU 98 2HB GLU 98 1.530 -10.445 -10.366 738 1HG GLU 98 1HG GLU 98 0.838 -8.880 -8.462 739 2HG GLU 98 2HG GLU 98 2.525 -8.583 -8.167 740 H LYS 99 H LYS 99 4.031 -12.657 -9.074 741 HA LYS 99 HA LYS 99 2.773 -14.522 -10.898 742 1HB LYS 99 1HB LYS 99 5.532 -14.165 -9.770 743 2HB LYS 99 2HB LYS 99 5.168 -15.511 -10.858 744 1HG LYS 99 1HG LYS 99 4.881 -14.157 -12.728 745 2HG LYS 99 2HG LYS 99 4.252 -12.811 -11.787 746 1HD LYS 99 1HD LYS 99 6.291 -12.101 -12.654 747 2HD LYS 99 2HD LYS 99 6.507 -12.363 -10.925 748 1HE LYS 99 1HE LYS 99 7.616 -14.464 -11.268 749 2HE LYS 99 2HE LYS 99 7.426 -14.316 -13.035 750 1HZ LYS 99 1HZ LYS 99 8.728 -12.152 -11.563 751 2HZ LYS 99 2HZ LYS 99 9.594 -13.497 -11.758 752 3HZ LYS 99 3HZ LYS 99 9.018 -12.635 -13.083 753 H SER 100 H SER 100 3.629 -14.800 -7.436 754 HA SER 100 HA SER 100 3.220 -17.718 -7.495 755 1HB SER 100 1HB SER 100 3.418 -17.480 -5.022 756 2HB SER 100 2HB SER 100 4.824 -16.919 -5.936 757 HG SER 100 HG SER 100 4.564 -15.377 -4.558 758 H THR 101 H THR 101 1.499 -14.723 -6.912 759 HA THR 101 HA THR 101 -0.744 -15.848 -5.515 760 HB THR 101 HB THR 101 -0.453 -13.222 -7.019 761 HG1 THR 101 HG1 THR 101 0.926 -13.261 -5.365 762 1HG2 THR 101 1HG2 THR 101 -2.507 -14.044 -4.916 763 2HG2 THR 101 2HG2 THR 101 -2.283 -12.421 -5.620 764 3HG2 THR 101 3HG2 THR 101 -2.856 -13.752 -6.632 765 HA PRO 102 HA PRO 102 -2.460 -17.801 -9.161 766 1HB PRO 102 1HB PRO 102 -4.952 -18.464 -8.240 767 2HB PRO 102 2HB PRO 102 -3.470 -19.340 -7.753 768 1HG PRO 102 1HG PRO 102 -4.880 -17.113 -6.252 769 2HG PRO 102 2HG PRO 102 -4.314 -18.690 -5.609 770 1HD PRO 102 1HD PRO 102 -2.834 -16.437 -5.329 771 2HD PRO 102 2HD PRO 102 -2.042 -17.991 -5.694 772 H ALA 103 H ALA 103 -3.496 -16.929 -10.888 773 HA ALA 103 HA ALA 103 -4.230 -14.169 -10.945 774 1HB ALA 103 1HB ALA 103 -4.185 -16.461 -12.913 775 2HB ALA 103 2HB ALA 103 -3.341 -14.886 -12.946 776 3HB ALA 103 3HB ALA 103 -5.070 -14.991 -13.325 777 H ASN 104 H ASN 104 -5.796 -13.795 -9.528 778 HA ASN 104 HA ASN 104 -8.246 -15.326 -9.395 779 1HB ASN 104 1HB ASN 104 -7.031 -13.967 -7.498 780 2HB ASN 104 2HB ASN 104 -7.887 -12.588 -8.160 781 1HD2 ASN 104 1HD2 ASN 104 -8.136 -14.215 -5.501 782 2HD2 ASN 104 2HD2 ASN 104 -9.869 -14.571 -5.483 783 H ASP 105 H ASP 105 -10.341 -14.609 -9.899 784 HA ASP 105 HA ASP 105 -10.818 -12.931 -12.058 785 1HB ASP 105 1HB ASP 105 -12.028 -14.980 -11.534 786 2HB ASP 105 2HB ASP 105 -12.513 -14.326 -9.976 787 H ASP 106 H ASP 106 -10.671 -12.486 -8.510 788 HA ASP 106 HA ASP 106 -11.909 -9.767 -8.820 789 1HB ASP 106 1HB ASP 106 -12.570 -11.274 -6.774 790 2HB ASP 106 2HB ASP 106 -10.983 -10.960 -6.216 791 H LYS 107 H LYS 107 -10.436 -8.189 -9.321 792 HA LYS 107 HA LYS 107 -7.622 -8.553 -8.976 793 1HB LYS 107 1HB LYS 107 -9.296 -6.649 -10.282 794 2HB LYS 107 2HB LYS 107 -8.446 -5.725 -9.085 795 1HG LYS 107 1HG LYS 107 -6.913 -5.604 -10.786 796 2HG LYS 107 2HG LYS 107 -6.293 -7.023 -9.945 797 1HD LYS 107 1HD LYS 107 -6.521 -8.154 -11.942 798 2HD LYS 107 2HD LYS 107 -8.247 -8.091 -11.660 799 1HE LYS 107 1HE LYS 107 -8.007 -7.205 -13.789 800 2HE LYS 107 2HE LYS 107 -8.213 -5.785 -12.732 801 1HZ LYS 107 1HZ LYS 107 -5.522 -6.741 -13.569 802 2HZ LYS 107 2HZ LYS 107 -6.404 -5.656 -14.446 803 3HZ LYS 107 3HZ LYS 107 -5.916 -5.296 -12.950 804 H CYS 108 H CYS 108 -10.153 -7.332 -6.776 805 HA CYS 108 HA CYS 108 -8.396 -6.101 -4.886 806 1HB CYS 108 1HB CYS 108 -10.989 -7.606 -4.363 807 2HB CYS 108 2HB CYS 108 -10.175 -6.493 -3.300 808 H ILE 109 H ILE 109 -9.760 -9.457 -4.973 809 HA ILE 109 HA ILE 109 -8.320 -10.277 -2.651 810 HB ILE 109 HB ILE 109 -9.668 -11.871 -4.893 811 1HG1 ILE 109 1HG1 ILE 109 -10.683 -11.090 -2.141 812 2HG1 ILE 109 2HG1 ILE 109 -11.134 -10.286 -3.625 813 1HG2 ILE 109 1HG2 ILE 109 -8.783 -12.750 -2.087 814 2HG2 ILE 109 2HG2 ILE 109 -9.689 -13.738 -3.262 815 3HG2 ILE 109 3HG2 ILE 109 -8.040 -13.255 -3.619 816 1HD1 ILE 109 1HD1 ILE 109 -11.877 -12.610 -4.507 817 2HD1 ILE 109 2HD1 ILE 109 -11.874 -13.066 -2.781 818 3HD1 ILE 109 3HD1 ILE 109 -12.892 -11.733 -3.363 819 H TRP 110 H TRP 110 -7.605 -10.612 -6.116 820 HA TRP 110 HA TRP 110 -5.148 -12.018 -5.934 821 1HB TRP 110 1HB TRP 110 -6.142 -11.405 -8.080 822 2HB TRP 110 2HB TRP 110 -5.939 -9.702 -7.731 823 HD1 TRP 110 HD1 TRP 110 -3.914 -12.845 -8.560 824 HE1 TRP 110 HE1 TRP 110 -1.703 -12.166 -9.644 825 HE3 TRP 110 HE3 TRP 110 -4.305 -7.791 -7.984 826 HZ2 TRP 110 HZ2 TRP 110 -0.451 -9.648 -10.507 827 HZ3 TRP 110 HZ3 TRP 110 -2.688 -6.275 -9.077 828 HH2 TRP 110 HH2 TRP 110 -0.790 -7.185 -10.346 829 H THR 111 H THR 111 -5.571 -8.420 -5.904 830 HA THR 111 HA THR 111 -3.001 -7.701 -5.250 831 HB THR 111 HB THR 111 -5.688 -6.444 -4.546 832 HG1 THR 111 HG1 THR 111 -5.593 -6.481 -6.649 833 1HG2 THR 111 1HG2 THR 111 -2.918 -5.393 -4.179 834 2HG2 THR 111 2HG2 THR 111 -4.213 -4.297 -4.735 835 3HG2 THR 111 3HG2 THR 111 -4.385 -5.213 -3.214 836 H LEU 112 H LEU 112 -5.607 -8.546 -2.970 837 HA LEU 112 HA LEU 112 -4.322 -8.126 -0.482 838 1HB LEU 112 1HB LEU 112 -6.653 -8.550 -0.942 839 2HB LEU 112 2HB LEU 112 -6.336 -10.230 -1.276 840 HG LEU 112 HG LEU 112 -6.086 -10.818 0.938 841 1HD1 LEU 112 1HD1 LEU 112 -5.254 -7.953 1.616 842 2HD1 LEU 112 2HD1 LEU 112 -5.640 -9.188 2.837 843 3HD1 LEU 112 3HD1 LEU 112 -4.297 -9.442 1.770 844 1HD2 LEU 112 1HD2 LEU 112 -7.702 -8.261 0.877 845 2HD2 LEU 112 2HD2 LEU 112 -8.322 -9.907 0.581 846 3HD2 LEU 112 3HD2 LEU 112 -7.778 -9.398 2.197 847 H GLY 113 H GLY 113 -4.337 -10.955 -2.664 848 1HA GLY 113 1HA GLY 113 -2.863 -12.644 -3.002 849 2HA GLY 113 2HA GLY 113 -2.656 -12.773 -1.244 850 H VAL 114 H VAL 114 -1.839 -10.458 -3.892 851 HA VAL 114 HA VAL 114 0.883 -10.763 -3.896 852 HB VAL 114 HB VAL 114 -0.599 -8.146 -4.410 853 1HG1 VAL 114 1HG1 VAL 114 1.937 -7.975 -4.356 854 2HG1 VAL 114 2HG1 VAL 114 1.992 -9.165 -5.657 855 3HG1 VAL 114 3HG1 VAL 114 1.215 -7.596 -5.926 856 1HG2 VAL 114 1HG2 VAL 114 0.021 -10.415 -6.334 857 2HG2 VAL 114 2HG2 VAL 114 -1.594 -9.961 -5.799 858 3HG2 VAL 114 3HG2 VAL 114 -0.675 -8.835 -6.773 859 H ALA 115 H ALA 115 -0.897 -8.304 -1.940 860 HA ALA 115 HA ALA 115 1.483 -7.383 -0.620 861 1HB ALA 115 1HB ALA 115 -0.239 -5.833 -0.624 862 2HB ALA 115 2HB ALA 115 -1.472 -7.043 -0.235 863 3HB ALA 115 3HB ALA 115 -0.360 -6.498 1.038 864 H THR 116 H THR 116 -0.909 -9.925 0.334 865 HA THR 116 HA THR 116 0.105 -10.213 3.018 866 HB THR 116 HB THR 116 -1.358 -12.118 1.110 867 HG1 THR 116 HG1 THR 116 -2.723 -10.665 1.577 868 1HG2 THR 116 1HG2 THR 116 -0.819 -12.508 4.067 869 2HG2 THR 116 2HG2 THR 116 -1.976 -13.444 3.107 870 3HG2 THR 116 3HG2 THR 116 -0.251 -13.531 2.735 871 H CYS 117 H CYS 117 0.934 -11.735 -0.126 872 HA CYS 117 HA CYS 117 3.085 -13.374 0.722 873 1HB CYS 117 1HB CYS 117 2.161 -13.685 -1.405 874 2HB CYS 117 2HB CYS 117 2.318 -12.001 -1.862 875 H PHE 118 H PHE 118 3.117 -9.911 -0.556 876 HA PHE 118 HA PHE 118 5.787 -9.539 -0.389 877 1HB PHE 118 1HB PHE 118 4.192 -8.044 -1.462 878 2HB PHE 118 2HB PHE 118 3.526 -7.581 0.099 879 HD1 PHE 118 HD1 PHE 118 7.114 -7.890 0.213 880 HD2 PHE 118 HD2 PHE 118 3.925 -5.229 -0.845 881 HE1 PHE 118 HE1 PHE 118 8.697 -6.077 0.144 882 HE2 PHE 118 HE2 PHE 118 5.551 -3.342 -0.817 883 HZ PHE 118 HZ PHE 118 7.867 -3.703 -0.219 884 H LYS 119 H LYS 119 3.624 -8.279 2.173 885 HA LYS 119 HA LYS 119 5.287 -7.592 4.139 886 1HB LYS 119 1HB LYS 119 2.638 -7.856 4.006 887 2HB LYS 119 2HB LYS 119 2.909 -9.350 4.827 888 1HG LYS 119 1HG LYS 119 2.713 -8.059 6.691 889 2HG LYS 119 2HG LYS 119 4.425 -7.776 6.406 890 1HD LYS 119 1HD LYS 119 2.524 -5.877 5.080 891 2HD LYS 119 2HD LYS 119 2.548 -5.815 6.824 892 1HE LYS 119 1HE LYS 119 5.014 -5.480 5.063 893 2HE LYS 119 2HE LYS 119 4.044 -4.167 5.718 894 1HZ LYS 119 1HZ LYS 119 4.628 -5.072 7.992 895 2HZ LYS 119 2HZ LYS 119 5.726 -6.047 7.249 896 3HZ LYS 119 3HZ LYS 119 5.880 -4.453 7.103 897 H ALA 120 H ALA 120 4.404 -10.967 3.458 898 HA ALA 120 HA ALA 120 6.063 -12.038 5.594 899 1HB ALA 120 1HB ALA 120 4.748 -13.419 3.224 900 2HB ALA 120 2HB ALA 120 5.486 -14.190 4.641 901 3HB ALA 120 3HB ALA 120 4.033 -13.196 4.838 902 H GLU 121 H GLU 121 6.682 -11.546 1.982 903 HA GLU 121 HA GLU 121 9.176 -12.922 2.016 904 1HB GLU 121 1HB GLU 121 8.158 -10.573 0.394 905 2HB GLU 121 2HB GLU 121 9.666 -11.412 0.060 906 1HG GLU 121 1HG GLU 121 6.890 -12.647 -0.075 907 2HG GLU 121 2HG GLU 121 7.921 -12.214 -1.413 908 H ILE 122 H ILE 122 8.274 -9.576 2.955 909 HA ILE 122 HA ILE 122 10.890 -8.645 3.435 910 HB ILE 122 HB ILE 122 8.316 -8.074 4.921 911 1HG1 ILE 122 1HG1 ILE 122 9.596 -6.609 2.615 912 2HG1 ILE 122 2HG1 ILE 122 8.167 -7.603 2.528 913 1HG2 ILE 122 1HG2 ILE 122 10.266 -7.438 6.275 914 2HG2 ILE 122 2HG2 ILE 122 10.874 -6.466 4.927 915 3HG2 ILE 122 3HG2 ILE 122 9.341 -6.043 5.750 916 1HD1 ILE 122 1HD1 ILE 122 7.087 -6.058 4.273 917 2HD1 ILE 122 2HD1 ILE 122 8.406 -4.931 3.878 918 3HD1 ILE 122 3HD1 ILE 122 7.277 -5.452 2.622 919 H HIS 123 H HIS 123 8.933 -10.995 5.277 920 HA HIS 123 HA HIS 123 10.604 -10.963 7.618 921 1HB HIS 123 1HB HIS 123 8.187 -11.913 7.211 922 2HB HIS 123 2HB HIS 123 9.054 -13.358 6.678 923 HD1 HIS 123 HD1 HIS 123 9.907 -14.954 8.555 924 HD2 HIS 123 HD2 HIS 123 8.865 -11.062 9.803 925 HE1 HIS 123 HE1 HIS 123 10.089 -14.939 11.107 926 H LYS 124 H LYS 124 11.162 -12.100 4.463 927 HA LYS 124 HA LYS 124 13.189 -14.113 5.299 928 1HB LYS 124 1HB LYS 124 12.114 -13.364 2.551 929 2HB LYS 124 2HB LYS 124 13.292 -14.617 2.847 930 1HG LYS 124 1HG LYS 124 11.752 -16.059 3.893 931 2HG LYS 124 2HG LYS 124 10.654 -14.770 4.317 932 1HD LYS 124 1HD LYS 124 9.396 -15.511 2.671 933 2HD LYS 124 2HD LYS 124 10.473 -14.574 1.636 934 1HE LYS 124 1HE LYS 124 11.774 -16.614 1.143 935 2HE LYS 124 2HE LYS 124 10.669 -17.575 2.140 936 1HZ LYS 124 1HZ LYS 124 9.679 -15.917 -0.104 937 2HZ LYS 124 2HZ LYS 124 10.210 -17.462 -0.362 938 3HZ LYS 124 3HZ LYS 124 8.916 -17.145 0.606 939 H LEU 125 H LEU 125 12.917 -10.766 4.188 940 HA LEU 125 HA LEU 125 15.684 -10.435 3.412 941 1HB LEU 125 1HB LEU 125 13.478 -8.528 4.282 942 2HB LEU 125 2HB LEU 125 15.061 -7.948 4.012 943 HG LEU 125 HG LEU 125 13.633 -9.495 1.812 944 1HD1 LEU 125 1HD1 LEU 125 12.298 -7.378 2.512 945 2HD1 LEU 125 2HD1 LEU 125 13.693 -6.456 1.976 946 3HD1 LEU 125 3HD1 LEU 125 12.838 -7.482 0.823 947 1HD2 LEU 125 1HD2 LEU 125 15.993 -7.615 2.089 948 2HD2 LEU 125 2HD2 LEU 125 16.002 -9.275 1.455 949 3HD2 LEU 125 3HD2 LEU 125 15.299 -7.973 0.473 950 H ASN 126 H ASN 126 17.119 -9.044 4.653 951 HA ASN 126 HA ASN 126 17.286 -9.774 7.533 952 1HB ASN 126 1HB ASN 126 19.212 -10.344 6.278 953 2HB ASN 126 2HB ASN 126 19.252 -8.808 5.439 954 1HD2 ASN 126 1HD2 ASN 126 20.562 -7.220 6.218 955 2HD2 ASN 126 2HD2 ASN 126 21.217 -7.147 7.838 956 H TRP 127 H TRP 127 15.908 -7.267 5.873 957 HA TRP 127 HA TRP 127 16.371 -5.406 8.147 958 1HB TRP 127 1HB TRP 127 16.348 -3.495 6.715 959 2HB TRP 127 2HB TRP 127 17.661 -4.574 6.327 960 HD1 TRP 127 HD1 TRP 127 17.182 -6.215 4.084 961 HE1 TRP 127 HE1 TRP 127 16.225 -5.504 1.837 962 HE3 TRP 127 HE3 TRP 127 14.827 -1.909 5.542 963 HZ2 TRP 127 HZ2 TRP 127 14.358 -3.511 0.854 964 HZ3 TRP 127 HZ3 TRP 127 13.533 -0.576 3.895 965 HH2 TRP 127 HH2 TRP 127 13.281 -1.383 1.555 966 H ALA 128 H ALA 128 14.461 -3.479 7.617 967 HA ALA 128 HA ALA 128 11.911 -4.847 7.112 968 1HB ALA 128 1HB ALA 128 12.552 -3.664 9.840 969 2HB ALA 128 2HB ALA 128 12.207 -5.361 9.457 970 3HB ALA 128 3HB ALA 128 10.938 -4.137 9.279 971 HA PRO 129 HA PRO 129 11.826 -0.534 5.580 972 1HB PRO 129 1HB PRO 129 9.318 -1.267 4.226 973 2HB PRO 129 2HB PRO 129 10.849 -0.727 3.496 974 1HG PRO 129 1HG PRO 129 9.913 -3.334 3.296 975 2HG PRO 129 2HG PRO 129 11.649 -2.924 3.315 976 1HD PRO 129 1HD PRO 129 10.051 -4.038 5.524 977 2HD PRO 129 2HD PRO 129 11.725 -4.298 5.060 978 H SER 130 H SER 130 10.353 1.274 5.949 979 HA SER 130 HA SER 130 8.515 1.054 8.136 980 1HB SER 130 1HB SER 130 8.567 3.324 6.120 981 2HB SER 130 2HB SER 130 8.358 3.395 7.886 982 HG SER 130 HG SER 130 10.518 3.965 7.619 983 H MET 131 H MET 131 6.120 1.544 7.876 984 HA MET 131 HA MET 131 4.997 -0.059 5.714 985 1HB MET 131 1HB MET 131 3.861 1.640 7.958 986 2HB MET 131 2HB MET 131 2.845 1.336 6.570 987 1HG MET 131 1HG MET 131 3.814 -1.172 7.020 988 2HG MET 131 2HG MET 131 3.656 -0.480 8.640 989 1HE MET 131 1HE MET 131 2.245 -2.722 6.298 990 2HE MET 131 2HE MET 131 2.216 -3.097 8.040 991 3HE MET 131 3HE MET 131 0.705 -3.028 7.112 992 H ASP 132 H ASP 132 5.413 3.462 6.300 993 HA ASP 132 HA ASP 132 4.131 4.383 4.006 994 1HB ASP 132 1HB ASP 132 6.636 5.353 5.399 995 2HB ASP 132 2HB ASP 132 5.960 6.140 3.970 996 H VAL 133 H VAL 133 7.502 3.052 4.242 997 HA VAL 133 HA VAL 133 8.011 3.360 1.419 998 HB VAL 133 HB VAL 133 9.326 1.551 3.497 999 1HG1 VAL 133 1HG1 VAL 133 10.023 2.125 0.580 1000 2HG1 VAL 133 2HG1 VAL 133 11.182 1.452 1.755 1001 3HG1 VAL 133 3HG1 VAL 133 9.731 0.556 1.319 1002 1HG2 VAL 133 1HG2 VAL 133 10.214 4.195 2.264 1003 2HG2 VAL 133 2HG2 VAL 133 9.656 3.954 3.938 1004 3HG2 VAL 133 3HG2 VAL 133 11.157 3.207 3.388 1005 H ALA 134 H ALA 134 7.428 0.310 3.328 1006 HA ALA 134 HA ALA 134 7.385 -1.260 1.000 1007 1HB ALA 134 1HB ALA 134 7.684 -2.273 3.187 1008 2HB ALA 134 2HB ALA 134 6.284 -2.995 2.398 1009 3HB ALA 134 3HB ALA 134 6.039 -1.795 3.689 1010 H VAL 135 H VAL 135 4.554 0.235 2.727 1011 HA VAL 135 HA VAL 135 2.763 -0.980 0.806 1012 HB VAL 135 HB VAL 135 2.024 1.351 2.586 1013 1HG1 VAL 135 1HG1 VAL 135 0.473 0.688 0.763 1014 2HG1 VAL 135 2HG1 VAL 135 0.497 -0.987 1.347 1015 3HG1 VAL 135 3HG1 VAL 135 -0.206 0.298 2.349 1016 1HG2 VAL 135 1HG2 VAL 135 2.350 -1.599 3.300 1017 2HG2 VAL 135 2HG2 VAL 135 2.754 -0.179 4.260 1018 3HG2 VAL 135 3HG2 VAL 135 1.077 -0.630 4.066 1019 H GLY 136 H GLY 136 4.407 2.248 1.097 1020 1HA GLY 136 1HA GLY 136 4.840 3.796 -0.441 1021 2HA GLY 136 2HA GLY 136 3.193 3.658 -0.985 1022 H GLU 137 H GLU 137 5.810 1.180 -1.103 1023 HA GLU 137 HA GLU 137 6.419 1.658 -3.875 1024 1HB GLU 137 1HB GLU 137 7.191 -0.603 -1.995 1025 2HB GLU 137 2HB GLU 137 7.828 -0.344 -3.631 1026 1HG GLU 137 1HG GLU 137 8.261 2.142 -2.386 1027 2HG GLU 137 2HG GLU 137 8.468 1.005 -1.083 1028 H ILE 138 H ILE 138 4.792 -1.112 -2.185 1029 HA ILE 138 HA ILE 138 4.198 -2.386 -4.663 1030 HB ILE 138 HB ILE 138 4.113 -3.600 -2.561 1031 1HG1 ILE 138 1HG1 ILE 138 1.331 -3.720 -3.765 1032 2HG1 ILE 138 2HG1 ILE 138 2.760 -4.371 -4.553 1033 1HG2 ILE 138 1HG2 ILE 138 3.110 -1.833 -1.162 1034 2HG2 ILE 138 2HG2 ILE 138 1.544 -2.094 -1.926 1035 3HG2 ILE 138 3HG2 ILE 138 2.321 -3.384 -0.946 1036 1HD1 ILE 138 1HD1 ILE 138 1.804 -5.346 -1.829 1037 2HD1 ILE 138 2HD1 ILE 138 1.368 -6.073 -3.368 1038 3HD1 ILE 138 3HD1 ILE 138 3.054 -6.078 -2.846 1039 H LEU 139 H LEU 139 2.595 0.262 -3.034 1040 HA LEU 139 HA LEU 139 0.228 0.266 -4.740 1041 1HB LEU 139 1HB LEU 139 1.634 2.359 -3.100 1042 2HB LEU 139 2HB LEU 139 0.239 2.725 -3.975 1043 HG LEU 139 HG LEU 139 0.475 0.741 -1.663 1044 1HD1 LEU 139 1HD1 LEU 139 0.537 3.124 -1.012 1045 2HD1 LEU 139 2HD1 LEU 139 -1.008 3.371 -1.840 1046 3HD1 LEU 139 3HD1 LEU 139 -0.914 2.324 -0.395 1047 1HD2 LEU 139 1HD2 LEU 139 -1.359 0.184 -3.462 1048 2HD2 LEU 139 2HD2 LEU 139 -1.514 -0.081 -1.757 1049 3HD2 LEU 139 3HD2 LEU 139 -2.252 1.361 -2.515 1050 H ALA 140 H ALA 140 3.381 1.863 -4.852 1051 HA ALA 140 HA ALA 140 2.912 3.264 -7.269 1052 1HB ALA 140 1HB ALA 140 4.925 3.676 -5.955 1053 2HB ALA 140 2HB ALA 140 5.554 2.061 -6.375 1054 3HB ALA 140 3HB ALA 140 5.338 3.265 -7.626 1055 H GLU 141 H GLU 141 2.975 -0.154 -6.904 1056 HA GLU 141 HA GLU 141 3.602 -0.588 -9.763 1057 1HB GLU 141 1HB GLU 141 4.083 -2.068 -7.158 1058 2HB GLU 141 2HB GLU 141 4.299 -2.841 -8.735 1059 1HG GLU 141 1HG GLU 141 6.010 -1.217 -9.356 1060 2HG GLU 141 2HG GLU 141 5.729 -0.258 -7.898 1061 H VAL 142 H VAL 142 1.438 -1.866 -7.147 1062 HA VAL 142 HA VAL 142 0.353 -3.845 -8.856 1063 HB VAL 142 HB VAL 142 -0.309 -2.805 -6.115 1064 1HG1 VAL 142 1HG1 VAL 142 -1.879 -4.851 -7.699 1065 2HG1 VAL 142 2HG1 VAL 142 -1.923 -4.735 -5.937 1066 3HG1 VAL 142 3HG1 VAL 142 -2.515 -3.386 -6.931 1067 1HG2 VAL 142 1HG2 VAL 142 1.642 -4.284 -6.517 1068 2HG2 VAL 142 2HG2 VAL 142 0.409 -5.101 -5.532 1069 3HG2 VAL 142 3HG2 VAL 142 0.593 -5.497 -7.253 No H/Q in entry = 1069 Start of MODEL 3 1 H SER 1 H SER 1 -0.996 27.595 9.444 2 HA SER 1 HA SER 1 0.488 25.682 8.976 3 1HB SER 1 1HB SER 1 -1.267 25.319 11.426 4 2HB SER 1 2HB SER 1 0.408 24.756 11.227 5 HG SER 1 HG SER 1 1.108 26.833 11.191 6 H GLN 2 H GLN 2 0.531 23.185 9.329 7 HA GLN 2 HA GLN 2 -1.981 21.877 8.452 8 1HB GLN 2 1HB GLN 2 0.915 21.115 7.869 9 2HB GLN 2 2HB GLN 2 -0.470 20.115 7.472 10 1HG GLN 2 1HG GLN 2 0.110 22.880 6.313 11 2HG GLN 2 2HG GLN 2 0.450 21.342 5.527 12 1HE2 GLN 2 1HE2 GLN 2 -1.061 23.034 4.040 13 2HE2 GLN 2 2HE2 GLN 2 -2.746 22.605 4.085 14 H GLU 3 H GLU 3 -2.313 19.745 9.512 15 HA GLU 3 HA GLU 3 -0.519 19.174 11.815 16 1HB GLU 3 1HB GLU 3 -3.355 19.977 11.779 17 2HB GLU 3 2HB GLU 3 -3.182 18.415 12.548 18 1HG GLU 3 1HG GLU 3 -1.718 19.255 14.192 19 2HG GLU 3 2HG GLU 3 -1.309 20.686 13.226 20 H VAL 4 H VAL 4 -0.214 18.112 9.349 21 HA VAL 4 HA VAL 4 -1.498 15.423 9.306 22 HB VAL 4 HB VAL 4 -0.068 16.791 6.994 23 1HG1 VAL 4 1HG1 VAL 4 -0.364 14.313 6.882 24 2HG1 VAL 4 2HG1 VAL 4 -2.106 14.514 7.136 25 3HG1 VAL 4 3HG1 VAL 4 -1.341 15.144 5.661 26 1HG2 VAL 4 1HG2 VAL 4 -3.040 16.846 7.670 27 2HG2 VAL 4 2HG2 VAL 4 -1.959 18.242 7.496 28 3HG2 VAL 4 3HG2 VAL 4 -2.356 17.269 6.083 29 H MET 5 H MET 5 0.020 15.422 11.182 30 HA MET 5 HA MET 5 2.669 14.285 10.445 31 1HB MET 5 1HB MET 5 3.695 15.704 12.149 32 2HB MET 5 2HB MET 5 2.726 16.691 11.045 33 1HG MET 5 1HG MET 5 0.837 16.541 12.735 34 2HG MET 5 2HG MET 5 2.019 15.884 13.878 35 1HE MET 5 1HE MET 5 0.073 18.323 13.965 36 2HE MET 5 2HE MET 5 1.036 18.164 15.432 37 3HE MET 5 3HE MET 5 0.936 19.739 14.612 38 H LYS 6 H LYS 6 0.035 13.179 11.532 39 HA LYS 6 HA LYS 6 0.731 12.045 14.153 40 1HB LYS 6 1HB LYS 6 -1.677 11.729 12.297 41 2HB LYS 6 2HB LYS 6 -1.497 10.853 13.808 42 1HG LYS 6 1HG LYS 6 -0.950 13.415 14.654 43 2HG LYS 6 2HG LYS 6 -2.135 13.732 13.385 44 1HD LYS 6 1HD LYS 6 -3.809 12.437 14.508 45 2HD LYS 6 2HD LYS 6 -2.607 11.637 15.551 46 1HE LYS 6 1HE LYS 6 -2.081 13.727 16.676 47 2HE LYS 6 2HE LYS 6 -3.224 14.621 15.660 48 1HZ LYS 6 1HZ LYS 6 -4.125 12.343 17.315 49 2HZ LYS 6 2HZ LYS 6 -3.977 13.837 17.944 50 3HZ LYS 6 3HZ LYS 6 -5.005 13.597 16.699 51 H ASN 7 H ASN 7 -0.190 9.443 13.981 52 HA ASN 7 HA ASN 7 1.830 7.875 12.788 53 1HB ASN 7 1HB ASN 7 0.575 6.088 13.402 54 2HB ASN 7 2HB ASN 7 -0.272 7.247 14.368 55 1HD2 ASN 7 1HD2 ASN 7 -2.346 8.147 13.371 56 2HD2 ASN 7 2HD2 ASN 7 -3.194 7.226 12.164 57 H LEU 8 H LEU 8 1.495 6.497 10.904 58 HA LEU 8 HA LEU 8 1.523 6.337 8.650 59 1HB LEU 8 1HB LEU 8 -0.488 5.287 9.360 60 2HB LEU 8 2HB LEU 8 -1.402 6.764 9.309 61 HG LEU 8 HG LEU 8 -1.569 4.922 7.469 62 1HD1 LEU 8 1HD1 LEU 8 -1.783 7.885 7.276 63 2HD1 LEU 8 2HD1 LEU 8 -1.954 6.996 5.808 64 3HD1 LEU 8 3HD1 LEU 8 -3.024 6.635 7.183 65 1HD2 LEU 8 1HD2 LEU 8 0.936 5.055 6.969 66 2HD2 LEU 8 2HD2 LEU 8 -0.167 4.989 5.622 67 3HD2 LEU 8 3HD2 LEU 8 0.554 6.549 6.071 68 H SER 9 H SER 9 2.687 7.661 7.404 69 HA SER 9 HA SER 9 2.337 10.546 7.527 70 1HB SER 9 1HB SER 9 4.524 9.142 7.397 71 2HB SER 9 2HB SER 9 4.167 8.973 5.672 72 HG SER 9 HG SER 9 4.335 11.161 5.426 73 H LEU 10 H LEU 10 1.880 7.903 5.155 74 HA LEU 10 HA LEU 10 0.874 9.582 3.059 75 1HB LEU 10 1HB LEU 10 0.266 6.671 3.622 76 2HB LEU 10 2HB LEU 10 -0.176 7.505 2.148 77 HG LEU 10 HG LEU 10 2.571 6.712 3.126 78 1HD1 LEU 10 1HD1 LEU 10 1.134 6.247 0.483 79 2HD1 LEU 10 2HD1 LEU 10 2.774 5.704 0.891 80 3HD1 LEU 10 3HD1 LEU 10 1.409 5.051 1.769 81 1HD2 LEU 10 1HD2 LEU 10 1.967 8.740 0.908 82 2HD2 LEU 10 2HD2 LEU 10 2.958 8.996 2.359 83 3HD2 LEU 10 3HD2 LEU 10 3.517 7.909 1.093 84 H ASN 11 H ASN 11 -1.396 9.740 2.225 85 HA ASN 11 HA ASN 11 -3.163 10.199 4.589 86 1HB ASN 11 1HB ASN 11 -2.510 12.070 2.995 87 2HB ASN 11 2HB ASN 11 -3.669 11.381 1.857 88 1HD2 ASN 11 1HD2 ASN 11 -3.963 13.927 2.917 89 2HD2 ASN 11 2HD2 ASN 11 -5.157 14.019 4.195 90 H PHE 12 H PHE 12 -3.337 7.685 4.449 91 HA PHE 12 HA PHE 12 -4.624 6.473 2.255 92 1HB PHE 12 1HB PHE 12 -4.141 5.706 5.123 93 2HB PHE 12 2HB PHE 12 -5.348 4.827 4.222 94 HD1 PHE 12 HD1 PHE 12 -1.764 5.694 4.334 95 HD2 PHE 12 HD2 PHE 12 -4.757 3.282 2.341 96 HE1 PHE 12 HE1 PHE 12 0.027 4.389 3.275 97 HE2 PHE 12 HE2 PHE 12 -2.921 2.029 1.249 98 HZ PHE 12 HZ PHE 12 -0.545 2.569 1.697 99 H GLY 13 H GLY 13 -6.008 7.636 5.364 100 1HA GLY 13 1HA GLY 13 -8.077 8.615 5.776 101 2HA GLY 13 2HA GLY 13 -8.645 7.107 5.095 102 H LYS 14 H LYS 14 -7.154 10.028 3.580 103 HA LYS 14 HA LYS 14 -9.616 10.900 2.427 104 1HB LYS 14 1HB LYS 14 -6.692 11.533 2.237 105 2HB LYS 14 2HB LYS 14 -7.565 11.922 0.801 106 1HG LYS 14 1HG LYS 14 -8.945 12.811 3.293 107 2HG LYS 14 2HG LYS 14 -7.367 13.556 3.049 108 1HD LYS 14 1HD LYS 14 -9.437 13.455 0.817 109 2HD LYS 14 2HD LYS 14 -9.405 14.743 2.039 110 1HE LYS 14 1HE LYS 14 -7.025 15.224 1.492 111 2HE LYS 14 2HE LYS 14 -7.034 13.963 0.243 112 1HZ LYS 14 1HZ LYS 14 -8.753 16.367 0.231 113 2HZ LYS 14 2HZ LYS 14 -7.340 16.228 -0.585 114 3HZ LYS 14 3HZ LYS 14 -8.651 15.272 -0.978 115 H ALA 15 H ALA 15 -7.015 8.865 0.966 116 HA ALA 15 HA ALA 15 -8.221 8.786 -1.704 117 1HB ALA 15 1HB ALA 15 -6.198 7.047 -0.282 118 2HB ALA 15 2HB ALA 15 -5.833 8.435 -1.333 119 3HB ALA 15 3HB ALA 15 -6.626 7.006 -2.012 120 H LEU 16 H LEU 16 -8.263 6.749 1.251 121 HA LEU 16 HA LEU 16 -9.884 4.636 0.306 122 1HB LEU 16 1HB LEU 16 -9.575 5.893 3.067 123 2HB LEU 16 2HB LEU 16 -10.553 4.468 2.780 124 HG LEU 16 HG LEU 16 -7.585 4.555 2.069 125 1HD1 LEU 16 1HD1 LEU 16 -8.916 3.525 4.615 126 2HD1 LEU 16 2HD1 LEU 16 -7.217 3.291 4.163 127 3HD1 LEU 16 3HD1 LEU 16 -7.841 4.928 4.503 128 1HD2 LEU 16 1HD2 LEU 16 -9.111 2.749 1.088 129 2HD2 LEU 16 2HD2 LEU 16 -7.684 2.219 2.018 130 3HD2 LEU 16 3HD2 LEU 16 -9.289 2.178 2.774 131 H ASP 17 H ASP 17 -10.800 7.791 1.851 132 HA ASP 17 HA ASP 17 -13.524 7.303 1.815 133 1HB ASP 17 1HB ASP 17 -12.262 9.286 2.950 134 2HB ASP 17 2HB ASP 17 -12.426 10.077 1.419 135 H GLU 18 H GLU 18 -11.535 8.034 -0.935 136 HA GLU 18 HA GLU 18 -13.904 8.779 -2.569 137 1HB GLU 18 1HB GLU 18 -10.960 8.725 -3.352 138 2HB GLU 18 2HB GLU 18 -12.327 9.270 -4.339 139 1HG GLU 18 1HG GLU 18 -12.828 10.905 -2.353 140 2HG GLU 18 2HG GLU 18 -11.167 10.533 -1.905 141 H CYS 19 H CYS 19 -11.286 6.315 -2.367 142 HA CYS 19 HA CYS 19 -12.093 4.576 -4.352 143 1HB CYS 19 1HB CYS 19 -10.794 4.189 -1.635 144 2HB CYS 19 2HB CYS 19 -10.930 2.896 -2.795 145 H LYS 20 H LYS 20 -13.229 4.705 -0.968 146 HA LYS 20 HA LYS 20 -14.939 2.424 -1.082 147 1HB LYS 20 1HB LYS 20 -15.978 3.328 0.943 148 2HB LYS 20 2HB LYS 20 -14.227 3.479 1.027 149 1HG LYS 20 1HG LYS 20 -14.577 5.571 1.636 150 2HG LYS 20 2HG LYS 20 -14.817 5.901 -0.059 151 1HD LYS 20 1HD LYS 20 -16.608 6.984 0.953 152 2HD LYS 20 2HD LYS 20 -17.321 5.486 0.340 153 1HE LYS 20 1HE LYS 20 -18.104 5.920 2.645 154 2HE LYS 20 2HE LYS 20 -17.027 4.502 2.665 155 1HZ LYS 20 1HZ LYS 20 -15.976 7.198 3.326 156 2HZ LYS 20 2HZ LYS 20 -16.675 6.192 4.463 157 3HZ LYS 20 3HZ LYS 20 -15.366 5.706 3.666 158 H LYS 21 H LYS 21 -15.379 5.672 -2.469 159 HA LYS 21 HA LYS 21 -18.236 5.191 -2.715 160 1HB LYS 21 1HB LYS 21 -16.577 7.455 -3.884 161 2HB LYS 21 2HB LYS 21 -18.334 7.335 -3.839 162 1HG LYS 21 1HG LYS 21 -18.278 7.355 -1.340 163 2HG LYS 21 2HG LYS 21 -16.524 7.467 -1.417 164 1HD LYS 21 1HD LYS 21 -16.705 9.577 -2.684 165 2HD LYS 21 2HD LYS 21 -18.464 9.538 -2.498 166 1HE LYS 21 1HE LYS 21 -16.537 9.385 -0.147 167 2HE LYS 21 2HE LYS 21 -17.052 10.925 -0.813 168 1HZ LYS 21 1HZ LYS 21 -18.903 8.910 0.350 169 2HZ LYS 21 2HZ LYS 21 -18.322 10.266 1.054 170 3HZ LYS 21 3HZ LYS 21 -19.294 10.413 -0.234 171 H GLU 22 H GLU 22 -15.264 5.480 -4.708 172 HA GLU 22 HA GLU 22 -16.236 5.117 -7.257 173 1HB GLU 22 1HB GLU 22 -13.634 4.185 -5.976 174 2HB GLU 22 2HB GLU 22 -13.947 4.033 -7.703 175 1HG GLU 22 1HG GLU 22 -14.138 6.401 -7.996 176 2HG GLU 22 2HG GLU 22 -14.128 6.706 -6.266 177 H MET 23 H MET 23 -15.167 2.481 -5.031 178 HA MET 23 HA MET 23 -16.362 0.480 -6.841 179 1HB MET 23 1HB MET 23 -15.082 -0.441 -4.370 180 2HB MET 23 2HB MET 23 -14.922 -1.010 -5.969 181 1HG MET 23 1HG MET 23 -13.516 1.347 -6.143 182 2HG MET 23 2HG MET 23 -13.272 0.912 -4.461 183 1HE MET 23 1HE MET 23 -11.312 1.350 -7.049 184 2HE MET 23 2HE MET 23 -10.588 -0.136 -7.686 185 3HE MET 23 3HE MET 23 -12.237 0.324 -8.152 186 H THR 24 H THR 24 -17.533 2.340 -4.343 187 HA THR 24 HA THR 24 -18.938 2.115 -2.589 188 HB THR 24 HB THR 24 -20.193 0.233 -4.549 189 HG1 THR 24 HG1 THR 24 -20.116 2.155 -5.484 190 1HG2 THR 24 1HG2 THR 24 -21.118 1.392 -1.935 191 2HG2 THR 24 2HG2 THR 24 -22.277 1.313 -3.307 192 3HG2 THR 24 3HG2 THR 24 -21.510 -0.160 -2.733 193 H LEU 25 H LEU 25 -16.981 1.306 -1.641 194 HA LEU 25 HA LEU 25 -16.952 -1.506 -0.629 195 1HB LEU 25 1HB LEU 25 -14.887 0.548 0.214 196 2HB LEU 25 2HB LEU 25 -14.830 -1.168 0.308 197 HG LEU 25 HG LEU 25 -14.740 0.242 -2.416 198 1HD1 LEU 25 1HD1 LEU 25 -12.807 0.899 -1.023 199 2HD1 LEU 25 2HD1 LEU 25 -12.443 -0.828 -0.742 200 3HD1 LEU 25 3HD1 LEU 25 -12.347 -0.147 -2.379 201 1HD2 LEU 25 1HD2 LEU 25 -14.049 -2.599 -1.509 202 2HD2 LEU 25 2HD2 LEU 25 -15.485 -2.144 -2.419 203 3HD2 LEU 25 3HD2 LEU 25 -13.907 -1.945 -3.164 204 H THR 26 H THR 26 -16.379 -1.409 1.943 205 HA THR 26 HA THR 26 -18.730 -0.170 3.024 206 HB THR 26 HB THR 26 -18.071 -1.358 5.099 207 HG1 THR 26 HG1 THR 26 -16.220 -2.805 4.881 208 1HG2 THR 26 1HG2 THR 26 -19.262 -2.580 3.260 209 2HG2 THR 26 2HG2 THR 26 -17.700 -3.170 2.677 210 3HG2 THR 26 3HG2 THR 26 -18.258 -3.632 4.293 211 H ASP 27 H ASP 27 -18.551 1.069 5.198 212 HA ASP 27 HA ASP 27 -16.371 3.080 5.109 213 1HB ASP 27 1HB ASP 27 -18.800 3.684 5.626 214 2HB ASP 27 2HB ASP 27 -18.533 2.880 7.180 215 H ALA 28 H ALA 28 -17.357 0.146 6.648 216 HA ALA 28 HA ALA 28 -15.871 0.129 9.017 217 1HB ALA 28 1HB ALA 28 -17.388 -1.702 8.398 218 2HB ALA 28 2HB ALA 28 -15.781 -2.313 8.811 219 3HB ALA 28 3HB ALA 28 -16.266 -2.215 7.111 220 H ILE 29 H ILE 29 -14.696 -0.425 5.690 221 HA ILE 29 HA ILE 29 -12.066 -1.224 6.175 222 HB ILE 29 HB ILE 29 -11.504 -0.625 4.052 223 1HG1 ILE 29 1HG1 ILE 29 -13.227 0.717 2.585 224 2HG1 ILE 29 2HG1 ILE 29 -13.800 1.324 4.149 225 1HG2 ILE 29 1HG2 ILE 29 -13.734 -2.232 4.522 226 2HG2 ILE 29 2HG2 ILE 29 -14.174 -1.219 3.093 227 3HG2 ILE 29 3HG2 ILE 29 -12.709 -2.198 3.120 228 1HD1 ILE 29 1HD1 ILE 29 -10.910 1.462 3.970 229 2HD1 ILE 29 2HD1 ILE 29 -11.684 2.316 2.603 230 3HD1 ILE 29 3HD1 ILE 29 -12.068 2.760 4.282 231 H ASN 30 H ASN 30 -13.393 1.899 6.896 232 HA ASN 30 HA ASN 30 -11.216 3.580 6.575 233 1HB ASN 30 1HB ASN 30 -13.459 4.343 7.325 234 2HB ASN 30 2HB ASN 30 -13.365 3.346 8.763 235 1HD2 ASN 30 1HD2 ASN 30 -11.935 6.334 7.299 236 2HD2 ASN 30 2HD2 ASN 30 -11.555 6.987 8.888 237 H GLU 31 H GLU 31 -11.938 1.372 9.255 238 HA GLU 31 HA GLU 31 -9.109 1.592 10.215 239 1HB GLU 31 1HB GLU 31 -11.717 1.112 11.590 240 2HB GLU 31 2HB GLU 31 -10.309 0.232 12.162 241 1HG GLU 31 1HG GLU 31 -10.383 3.245 11.802 242 2HG GLU 31 2HG GLU 31 -10.700 2.403 13.335 243 H ASP 32 H ASP 32 -11.554 -0.652 8.914 244 HA ASP 32 HA ASP 32 -10.283 -3.051 9.714 245 1HB ASP 32 1HB ASP 32 -12.533 -2.489 8.239 246 2HB ASP 32 2HB ASP 32 -11.479 -3.093 6.982 247 H PHE 33 H PHE 33 -9.572 -0.845 7.055 248 HA PHE 33 HA PHE 33 -7.647 -2.453 5.665 249 1HB PHE 33 1HB PHE 33 -8.831 -0.444 4.768 250 2HB PHE 33 2HB PHE 33 -7.927 0.581 5.875 251 HD1 PHE 33 HD1 PHE 33 -8.065 -0.617 2.598 252 HD2 PHE 33 HD2 PHE 33 -5.230 0.311 5.715 253 HE1 PHE 33 HE1 PHE 33 -6.256 -0.318 0.899 254 HE2 PHE 33 HE2 PHE 33 -3.413 0.329 3.974 255 HZ PHE 33 HZ PHE 33 -3.878 0.187 1.747 256 H TYR 34 H TYR 34 -7.386 0.031 8.244 257 HA TYR 34 HA TYR 34 -4.519 0.099 8.288 258 1HB TYR 34 1HB TYR 34 -6.681 0.985 10.260 259 2HB TYR 34 2HB TYR 34 -4.981 1.122 10.621 260 HD1 TYR 34 HD1 TYR 34 -7.068 1.984 7.539 261 HD2 TYR 34 HD2 TYR 34 -4.272 3.371 10.539 262 HE1 TYR 34 HE1 TYR 34 -6.967 4.157 6.450 263 HE2 TYR 34 HE2 TYR 34 -4.230 5.567 9.470 264 HH TYR 34 HH TYR 34 -5.623 6.925 8.019 265 H ASN 35 H ASN 35 -7.076 -1.742 10.177 266 HA ASN 35 HA ASN 35 -5.523 -2.965 12.098 267 1HB ASN 35 1HB ASN 35 -7.955 -3.921 10.524 268 2HB ASN 35 2HB ASN 35 -7.264 -4.735 11.872 269 1HD2 ASN 35 1HD2 ASN 35 -6.861 -1.864 13.246 270 2HD2 ASN 35 2HD2 ASN 35 -8.426 -1.723 13.961 271 H PHE 36 H PHE 36 -5.858 -3.822 8.587 272 HA PHE 36 HA PHE 36 -4.984 -6.488 8.851 273 1HB PHE 36 1HB PHE 36 -5.905 -5.546 6.734 274 2HB PHE 36 2HB PHE 36 -4.504 -4.508 6.598 275 HD1 PHE 36 HD1 PHE 36 -4.582 -8.225 7.399 276 HD2 PHE 36 HD2 PHE 36 -3.348 -5.119 4.666 277 HE1 PHE 36 HE1 PHE 36 -3.388 -9.886 6.040 278 HE2 PHE 36 HE2 PHE 36 -2.150 -6.800 3.315 279 HZ PHE 36 HZ PHE 36 -2.172 -9.193 3.984 280 H TRP 37 H TRP 37 -3.150 -3.423 8.911 281 HA TRP 37 HA TRP 37 -0.588 -4.504 8.305 282 1HB TRP 37 1HB TRP 37 -1.173 -2.087 10.024 283 2HB TRP 37 2HB TRP 37 0.286 -2.420 9.106 284 HD1 TRP 37 HD1 TRP 37 -1.309 -3.133 6.324 285 HE1 TRP 37 HE1 TRP 37 -2.247 -1.235 4.950 286 HE3 TRP 37 HE3 TRP 37 -1.470 0.410 9.985 287 HZ2 TRP 37 HZ2 TRP 37 -3.163 1.557 5.458 288 HZ3 TRP 37 HZ3 TRP 37 -2.309 2.700 9.505 289 HH2 TRP 37 HH2 TRP 37 -3.177 3.260 7.236 290 H LYS 38 H LYS 38 -2.506 -4.378 11.244 291 HA LYS 38 HA LYS 38 -0.334 -4.718 13.129 292 1HB LYS 38 1HB LYS 38 -3.379 -4.904 13.270 293 2HB LYS 38 2HB LYS 38 -2.330 -5.021 14.684 294 1HG LYS 38 1HG LYS 38 -1.473 -2.840 14.348 295 2HG LYS 38 2HG LYS 38 -2.278 -2.617 12.794 296 1HD LYS 38 1HD LYS 38 -4.423 -2.518 13.717 297 2HD LYS 38 2HD LYS 38 -3.965 -3.214 15.227 298 1HE LYS 38 1HE LYS 38 -3.357 -0.434 14.124 299 2HE LYS 38 2HE LYS 38 -4.375 -0.866 15.498 300 1HZ LYS 38 1HZ LYS 38 -2.274 -1.664 16.587 301 2HZ LYS 38 2HZ LYS 38 -1.435 -1.012 15.318 302 3HZ LYS 38 3HZ LYS 38 -2.294 -0.020 16.273 303 H GLU 39 H GLU 39 -0.589 -6.617 14.769 304 HA GLU 39 HA GLU 39 -0.482 -9.035 13.048 305 1HB GLU 39 1HB GLU 39 1.185 -8.122 15.425 306 2HB GLU 39 2HB GLU 39 1.285 -9.740 14.663 307 1HG GLU 39 1HG GLU 39 1.564 -8.627 12.455 308 2HG GLU 39 2HG GLU 39 1.618 -7.054 13.217 309 H GLY 40 H GLY 40 -0.959 -11.012 13.833 310 1HA GLY 40 1HA GLY 40 -2.865 -11.329 16.017 311 2HA GLY 40 2HA GLY 40 -2.541 -12.472 14.721 312 H TYR 41 H TYR 41 -3.060 -9.920 12.797 313 HA TYR 41 HA TYR 41 -6.031 -9.945 12.950 314 1HB TYR 41 1HB TYR 41 -3.990 -7.904 12.378 315 2HB TYR 41 2HB TYR 41 -5.297 -7.955 11.234 316 HD1 TYR 41 HD1 TYR 41 -4.269 -6.619 14.359 317 HD2 TYR 41 HD2 TYR 41 -7.728 -7.969 12.202 318 HE1 TYR 41 HE1 TYR 41 -5.677 -5.042 15.632 319 HE2 TYR 41 HE2 TYR 41 -9.151 -6.376 13.424 320 HH TYR 41 HH TYR 41 -9.162 -4.563 15.072 321 H GLU 42 H GLU 42 -6.520 -11.776 11.785 322 HA GLU 42 HA GLU 42 -5.580 -12.057 8.993 323 1HB GLU 42 1HB GLU 42 -7.331 -13.672 10.850 324 2HB GLU 42 2HB GLU 42 -7.755 -13.669 9.131 325 1HG GLU 42 1HG GLU 42 -6.270 -15.528 9.560 326 2HG GLU 42 2HG GLU 42 -5.554 -14.333 8.443 327 H ILE 43 H ILE 43 -6.081 -9.755 8.619 328 HA ILE 43 HA ILE 43 -8.969 -9.304 8.056 329 HB ILE 43 HB ILE 43 -6.648 -7.528 7.504 330 1HG1 ILE 43 1HG1 ILE 43 -7.001 -7.546 9.839 331 2HG1 ILE 43 2HG1 ILE 43 -7.842 -6.155 9.231 332 1HG2 ILE 43 1HG2 ILE 43 -9.645 -7.148 7.105 333 2HG2 ILE 43 2HG2 ILE 43 -8.432 -5.865 7.049 334 3HG2 ILE 43 3HG2 ILE 43 -8.381 -7.144 5.852 335 1HD1 ILE 43 1HD1 ILE 43 -10.004 -7.441 9.337 336 2HD1 ILE 43 2HD1 ILE 43 -9.086 -8.666 10.268 337 3HD1 ILE 43 3HD1 ILE 43 -9.230 -7.001 10.862 338 H LYS 44 H LYS 44 -9.299 -11.101 6.687 339 HA LYS 44 HA LYS 44 -7.786 -11.203 4.114 340 1HB LYS 44 1HB LYS 44 -8.780 -13.382 5.984 341 2HB LYS 44 2HB LYS 44 -8.416 -13.722 4.298 342 1HG LYS 44 1HG LYS 44 -6.325 -12.305 5.985 343 2HG LYS 44 2HG LYS 44 -6.575 -14.044 6.175 344 1HD LYS 44 1HD LYS 44 -6.014 -14.528 3.935 345 2HD LYS 44 2HD LYS 44 -6.207 -12.864 3.414 346 1HE LYS 44 1HE LYS 44 -3.867 -13.623 3.445 347 2HE LYS 44 2HE LYS 44 -4.146 -12.165 4.399 348 1HZ LYS 44 1HZ LYS 44 -4.172 -14.757 5.775 349 2HZ LYS 44 2HZ LYS 44 -2.737 -14.109 5.319 350 3HZ LYS 44 3HZ LYS 44 -3.660 -13.264 6.321 351 H ASN 45 H ASN 45 -9.978 -9.498 4.607 352 HA ASN 45 HA ASN 45 -12.276 -10.789 3.276 353 1HB ASN 45 1HB ASN 45 -12.627 -9.147 5.218 354 2HB ASN 45 2HB ASN 45 -12.115 -7.870 4.110 355 1HD2 ASN 45 1HD2 ASN 45 -14.106 -6.881 3.312 356 2HD2 ASN 45 2HD2 ASN 45 -15.272 -7.892 2.425 357 H ARG 46 H ARG 46 -13.219 -8.931 1.556 358 HA ARG 46 HA ARG 46 -11.282 -9.144 -0.633 359 1HB ARG 46 1HB ARG 46 -14.171 -8.266 -0.818 360 2HB ARG 46 2HB ARG 46 -13.133 -8.908 -2.079 361 1HG ARG 46 1HG ARG 46 -13.118 -11.099 -0.931 362 2HG ARG 46 2HG ARG 46 -14.075 -10.457 0.385 363 1HD ARG 46 1HD ARG 46 -15.962 -10.087 -0.861 364 2HD ARG 46 2HD ARG 46 -15.106 -10.221 -2.433 365 HE ARG 46 HE ARG 46 -14.633 -12.642 -1.354 366 1HH1 ARG 46 1HH1 ARG 46 -15.847 -14.568 -1.767 367 2HH1 ARG 46 2HH1 ARG 46 -17.546 -14.433 -2.079 368 1HH2 ARG 46 1HH2 ARG 46 -17.780 -10.970 -1.692 369 2HH2 ARG 46 2HH2 ARG 46 -18.625 -12.446 -2.038 370 H GLU 47 H GLU 47 -13.375 -6.625 0.887 371 HA GLU 47 HA GLU 47 -12.874 -4.575 -0.865 372 1HB GLU 47 1HB GLU 47 -13.309 -4.183 2.052 373 2HB GLU 47 2HB GLU 47 -13.582 -3.028 0.744 374 1HG GLU 47 1HG GLU 47 -15.150 -5.301 1.691 375 2HG GLU 47 2HG GLU 47 -15.688 -3.758 1.018 376 H THR 48 H THR 48 -10.686 -5.655 1.795 377 HA THR 48 HA THR 48 -9.070 -3.419 2.053 378 HB THR 48 HB THR 48 -7.935 -6.231 2.013 379 HG1 THR 48 HG1 THR 48 -8.983 -6.817 3.676 380 1HG2 THR 48 1HG2 THR 48 -6.436 -4.371 2.664 381 2HG2 THR 48 2HG2 THR 48 -7.578 -3.894 3.938 382 3HG2 THR 48 3HG2 THR 48 -6.739 -5.460 4.024 383 H GLY 49 H GLY 49 -8.555 -6.256 -0.153 384 1HA GLY 49 1HA GLY 49 -7.567 -6.465 -2.128 385 2HA GLY 49 2HA GLY 49 -6.369 -5.279 -1.607 386 H CYS 50 H CYS 50 -9.929 -4.775 -2.040 387 HA CYS 50 HA CYS 50 -9.799 -3.505 -4.582 388 1HB CYS 50 1HB CYS 50 -11.736 -2.951 -2.300 389 2HB CYS 50 2HB CYS 50 -11.957 -2.525 -3.938 390 H ALA 51 H ALA 51 -9.634 -2.152 -1.239 391 HA ALA 51 HA ALA 51 -9.383 0.548 -2.185 392 1HB ALA 51 1HB ALA 51 -9.944 0.508 0.073 393 2HB ALA 51 2HB ALA 51 -8.235 0.898 0.131 394 3HB ALA 51 3HB ALA 51 -8.745 -0.766 0.469 395 H ILE 52 H ILE 52 -6.914 -1.936 -1.225 396 HA ILE 52 HA ILE 52 -4.604 -0.406 -1.571 397 HB ILE 52 HB ILE 52 -5.188 -3.341 -2.025 398 1HG1 ILE 52 1HG1 ILE 52 -3.750 -1.882 0.246 399 2HG1 ILE 52 2HG1 ILE 52 -5.440 -2.374 0.307 400 1HG2 ILE 52 1HG2 ILE 52 -3.131 -2.682 -3.321 401 2HG2 ILE 52 2HG2 ILE 52 -2.417 -2.080 -1.813 402 3HG2 ILE 52 3HG2 ILE 52 -2.821 -3.794 -2.009 403 1HD1 ILE 52 1HD1 ILE 52 -4.749 -4.761 0.028 404 2HD1 ILE 52 2HD1 ILE 52 -3.055 -4.242 0.189 405 3HD1 ILE 52 3HD1 ILE 52 -4.185 -3.990 1.516 406 H MET 53 H MET 53 -6.308 -2.421 -4.044 407 HA MET 53 HA MET 53 -4.793 -1.730 -6.265 408 1HB MET 53 1HB MET 53 -6.489 -3.526 -6.072 409 2HB MET 53 2HB MET 53 -7.735 -2.399 -5.938 410 1HG MET 53 1HG MET 53 -6.008 -2.165 -8.364 411 2HG MET 53 2HG MET 53 -6.852 -3.722 -8.151 412 1HE MET 53 1HE MET 53 -9.545 -3.875 -7.816 413 2HE MET 53 2HE MET 53 -9.713 -2.505 -6.682 414 3HE MET 53 3HE MET 53 -10.678 -2.535 -8.153 415 H CYS 54 H CYS 54 -7.464 0.140 -4.748 416 HA CYS 54 HA CYS 54 -7.716 1.982 -7.013 417 1HB CYS 54 1HB CYS 54 -9.613 1.445 -5.647 418 2HB CYS 54 2HB CYS 54 -8.797 1.907 -4.167 419 H LEU 55 H LEU 55 -6.313 2.252 -3.602 420 HA LEU 55 HA LEU 55 -5.059 4.610 -4.006 421 1HB LEU 55 1HB LEU 55 -4.908 2.194 -2.165 422 2HB LEU 55 2HB LEU 55 -3.633 3.274 -2.012 423 HG LEU 55 HG LEU 55 -5.603 5.091 -2.190 424 1HD1 LEU 55 1HD1 LEU 55 -7.035 3.376 -2.194 425 2HD1 LEU 55 2HD1 LEU 55 -6.292 2.791 -0.634 426 3HD1 LEU 55 3HD1 LEU 55 -7.226 4.391 -0.677 427 1HD2 LEU 55 1HD2 LEU 55 -4.419 3.662 0.207 428 2HD2 LEU 55 2HD2 LEU 55 -3.674 5.072 -0.486 429 3HD2 LEU 55 3HD2 LEU 55 -5.240 5.226 0.384 430 H SER 56 H SER 56 -3.981 1.536 -5.258 431 HA SER 56 HA SER 56 -1.368 2.429 -5.856 432 1HB SER 56 1HB SER 56 -1.211 0.587 -7.173 433 2HB SER 56 2HB SER 56 -2.509 0.059 -6.141 434 HG SER 56 HG SER 56 -4.041 0.592 -7.714 435 H THR 57 H THR 57 -4.372 3.777 -6.756 436 HA THR 57 HA THR 57 -3.010 5.332 -8.917 437 HB THR 57 HB THR 57 -4.338 3.471 -9.875 438 HG1 THR 57 HG1 THR 57 -3.952 4.967 -11.225 439 1HG2 THR 57 1HG2 THR 57 -6.681 4.959 -8.675 440 2HG2 THR 57 2HG2 THR 57 -6.818 3.937 -10.124 441 3HG2 THR 57 3HG2 THR 57 -6.272 3.225 -8.609 442 H LYS 58 H LYS 58 -3.414 5.732 -6.120 443 HA LYS 58 HA LYS 58 -4.634 8.444 -6.298 444 1HB LYS 58 1HB LYS 58 -4.803 6.612 -3.883 445 2HB LYS 58 2HB LYS 58 -5.369 8.247 -3.922 446 1HG LYS 58 1HG LYS 58 -6.561 6.364 -5.939 447 2HG LYS 58 2HG LYS 58 -7.101 6.263 -4.252 448 1HD LYS 58 1HD LYS 58 -7.730 8.564 -4.234 449 2HD LYS 58 2HD LYS 58 -7.197 8.749 -5.920 450 1HE LYS 58 1HE LYS 58 -9.229 6.665 -4.959 451 2HE LYS 58 2HE LYS 58 -9.677 8.252 -5.485 452 1HZ LYS 58 1HZ LYS 58 -8.699 7.706 -7.682 453 2HZ LYS 58 2HZ LYS 58 -8.407 6.175 -7.155 454 3HZ LYS 58 3HZ LYS 58 -9.950 6.716 -7.226 455 H LEU 59 H LEU 59 -1.738 7.359 -6.525 456 HA LEU 59 HA LEU 59 -0.351 7.797 -4.057 457 1HB LEU 59 1HB LEU 59 0.776 8.417 -6.813 458 2HB LEU 59 2HB LEU 59 1.668 7.973 -5.367 459 HG LEU 59 HG LEU 59 -0.168 6.161 -6.970 460 1HD1 LEU 59 1HD1 LEU 59 2.083 6.874 -7.996 461 2HD1 LEU 59 2HD1 LEU 59 2.852 5.922 -6.721 462 3HD1 LEU 59 3HD1 LEU 59 1.749 5.152 -7.894 463 1HD2 LEU 59 1HD2 LEU 59 -0.128 5.466 -4.592 464 2HD2 LEU 59 2HD2 LEU 59 0.691 4.307 -5.637 465 3HD2 LEU 59 3HD2 LEU 59 1.653 5.421 -4.646 466 H ASN 60 H ASN 60 -1.512 10.009 -6.514 467 HA ASN 60 HA ASN 60 -0.197 12.417 -5.830 468 1HB ASN 60 1HB ASN 60 -2.161 13.399 -7.090 469 2HB ASN 60 2HB ASN 60 -1.276 12.155 -7.957 470 1HD2 ASN 60 1HD2 ASN 60 -4.421 13.092 -6.863 471 2HD2 ASN 60 2HD2 ASN 60 -5.236 11.627 -7.395 472 H MET 61 H MET 61 -2.933 10.749 -4.345 473 HA MET 61 HA MET 61 -3.834 13.085 -2.789 474 1HB MET 61 1HB MET 61 -4.494 10.099 -2.593 475 2HB MET 61 2HB MET 61 -5.296 11.374 -1.696 476 1HG MET 61 1HG MET 61 -5.219 11.458 -4.732 477 2HG MET 61 2HG MET 61 -6.365 10.425 -3.901 478 1HE MET 61 1HE MET 61 -8.383 10.982 -2.751 479 2HE MET 61 2HE MET 61 -7.509 11.761 -1.415 480 3HE MET 61 3HE MET 61 -8.886 12.580 -2.176 481 H LEU 62 H LEU 62 -1.846 10.156 -2.433 482 HA LEU 62 HA LEU 62 -1.732 10.253 0.435 483 1HB LEU 62 1HB LEU 62 -0.102 8.697 -1.629 484 2HB LEU 62 2HB LEU 62 -0.211 8.292 0.074 485 HG LEU 62 HG LEU 62 -2.560 8.336 -1.817 486 1HD1 LEU 62 1HD1 LEU 62 -0.817 6.635 -2.387 487 2HD1 LEU 62 2HD1 LEU 62 -1.135 5.854 -0.841 488 3HD1 LEU 62 3HD1 LEU 62 -2.414 5.988 -2.084 489 1HD2 LEU 62 1HD2 LEU 62 -3.138 8.656 0.560 490 2HD2 LEU 62 2HD2 LEU 62 -3.803 7.201 -0.111 491 3HD2 LEU 62 3HD2 LEU 62 -2.371 7.096 0.943 492 H ASP 63 H ASP 63 0.446 11.034 -2.224 493 HA ASP 63 HA ASP 63 2.384 12.208 -0.302 494 1HB ASP 63 1HB ASP 63 3.299 10.394 -1.566 495 2HB ASP 63 2HB ASP 63 2.812 11.116 -3.086 496 HA PRO 64 HA PRO 64 0.432 15.819 -2.303 497 1HB PRO 64 1HB PRO 64 1.173 17.720 -0.496 498 2HB PRO 64 2HB PRO 64 -0.157 16.557 -0.188 499 1HG PRO 64 1HG PRO 64 2.682 16.490 0.823 500 2HG PRO 64 2HG PRO 64 1.173 16.084 1.693 501 1HD PRO 64 1HD PRO 64 2.887 14.230 0.513 502 2HD PRO 64 2HD PRO 64 1.148 13.937 0.783 503 H GLU 65 H GLU 65 3.790 15.605 -1.159 504 HA GLU 65 HA GLU 65 4.847 17.718 -2.802 505 1HB GLU 65 1HB GLU 65 6.223 15.256 -1.661 506 2HB GLU 65 2HB GLU 65 7.022 16.680 -2.349 507 1HG GLU 65 1HG GLU 65 6.026 18.090 -0.564 508 2HG GLU 65 2HG GLU 65 5.265 16.633 0.143 509 H GLY 66 H GLY 66 3.874 14.405 -3.324 510 1HA GLY 66 1HA GLY 66 3.988 14.579 -6.184 511 2HA GLY 66 2HA GLY 66 3.729 13.108 -5.239 512 H ASN 67 H ASN 67 5.965 12.741 -3.863 513 HA ASN 67 HA ASN 67 8.303 12.728 -5.725 514 1HB ASN 67 1HB ASN 67 7.885 12.338 -2.748 515 2HB ASN 67 2HB ASN 67 9.179 11.452 -3.472 516 1HD2 ASN 67 1HD2 ASN 67 7.754 14.748 -3.751 517 2HD2 ASN 67 2HD2 ASN 67 9.273 15.624 -3.746 518 H LEU 68 H LEU 68 6.065 10.678 -3.928 519 HA LEU 68 HA LEU 68 6.894 8.173 -4.999 520 1HB LEU 68 1HB LEU 68 5.511 8.611 -2.893 521 2HB LEU 68 2HB LEU 68 4.156 9.121 -3.927 522 HG LEU 68 HG LEU 68 3.973 6.872 -4.869 523 1HD1 LEU 68 1HD1 LEU 68 6.428 6.201 -3.251 524 2HD1 LEU 68 2HD1 LEU 68 5.338 4.967 -3.897 525 3HD1 LEU 68 3HD1 LEU 68 6.202 6.027 -5.014 526 1HD2 LEU 68 1HD2 LEU 68 4.241 6.855 -1.856 527 2HD2 LEU 68 2HD2 LEU 68 2.779 7.284 -2.802 528 3HD2 LEU 68 3HD2 LEU 68 3.430 5.610 -2.826 529 H HIS 69 H HIS 69 6.786 7.646 -7.147 530 HA HIS 69 HA HIS 69 4.499 8.637 -8.784 531 1HB HIS 69 1HB HIS 69 7.390 8.076 -9.372 532 2HB HIS 69 2HB HIS 69 6.257 8.137 -10.676 533 HD1 HIS 69 HD1 HIS 69 8.298 10.058 -11.190 534 HD2 HIS 69 HD2 HIS 69 5.322 10.970 -8.361 535 HE1 HIS 69 HE1 HIS 69 8.325 12.617 -10.870 536 H HIS 70 H HIS 70 4.306 7.146 -10.672 537 HA HIS 70 HA HIS 70 3.611 4.489 -9.578 538 1HB HIS 70 1HB HIS 70 2.192 5.986 -11.137 539 2HB HIS 70 2HB HIS 70 3.160 5.347 -12.455 540 HD1 HIS 70 HD1 HIS 70 2.659 2.338 -10.372 541 HD2 HIS 70 HD2 HIS 70 0.168 4.861 -12.661 542 HE1 HIS 70 HE1 HIS 70 0.560 1.053 -10.822 543 H GLY 71 H GLY 71 4.917 2.782 -9.732 544 1HA GLY 71 1HA GLY 71 6.824 2.275 -11.854 545 2HA GLY 71 2HA GLY 71 6.477 1.294 -10.418 546 H ASN 72 H ASN 72 6.894 4.293 -9.021 547 HA ASN 72 HA ASN 72 9.841 4.065 -8.899 548 1HB ASN 72 1HB ASN 72 9.125 5.266 -11.041 549 2HB ASN 72 2HB ASN 72 8.398 6.453 -10.028 550 1HD2 ASN 72 1HD2 ASN 72 9.984 7.681 -11.395 551 2HD2 ASN 72 2HD2 ASN 72 11.614 7.937 -10.713 552 H ALA 73 H ALA 73 9.278 3.670 -6.668 553 HA ALA 73 HA ALA 73 8.515 6.065 -5.120 554 1HB ALA 73 1HB ALA 73 7.484 3.870 -4.634 555 2HB ALA 73 2HB ALA 73 8.456 4.446 -3.257 556 3HB ALA 73 3HB ALA 73 9.092 3.201 -4.343 557 H MET 74 H MET 74 11.370 5.746 -6.597 558 HA MET 74 HA MET 74 13.136 4.607 -4.651 559 1HB MET 74 1HB MET 74 13.505 6.228 -7.214 560 2HB MET 74 2HB MET 74 14.868 5.673 -6.252 561 1HG MET 74 1HG MET 74 12.771 3.783 -7.363 562 2HG MET 74 2HG MET 74 14.267 4.210 -8.200 563 1HE MET 74 1HE MET 74 13.424 1.195 -7.581 564 2HE MET 74 2HE MET 74 14.924 1.644 -8.426 565 3HE MET 74 3HE MET 74 14.979 0.524 -7.045 566 H GLU 75 H GLU 75 12.216 7.842 -5.543 567 HA GLU 75 HA GLU 75 14.115 9.170 -3.697 568 1HB GLU 75 1HB GLU 75 11.861 10.027 -5.481 569 2HB GLU 75 2HB GLU 75 12.081 11.040 -4.069 570 1HG GLU 75 1HG GLU 75 14.376 10.272 -5.896 571 2HG GLU 75 2HG GLU 75 13.363 11.667 -6.210 572 H PHE 76 H PHE 76 10.676 8.284 -3.513 573 HA PHE 76 HA PHE 76 10.131 9.536 -1.011 574 1HB PHE 76 1HB PHE 76 8.360 9.064 -2.516 575 2HB PHE 76 2HB PHE 76 8.860 7.397 -2.744 576 HD1 PHE 76 HD1 PHE 76 7.356 9.751 -0.327 577 HD2 PHE 76 HD2 PHE 76 8.189 5.651 -1.319 578 HE1 PHE 76 HE1 PHE 76 5.865 8.934 1.616 579 HE2 PHE 76 HE2 PHE 76 6.655 4.885 0.478 580 HZ PHE 76 HZ PHE 76 5.510 6.526 1.925 581 H ALA 77 H ALA 77 11.162 6.232 -1.906 582 HA ALA 77 HA ALA 77 11.327 5.074 0.658 583 1HB ALA 77 1HB ALA 77 13.004 4.607 -1.864 584 2HB ALA 77 2HB ALA 77 12.875 3.496 -0.495 585 3HB ALA 77 3HB ALA 77 11.453 3.822 -1.485 586 H LYS 78 H LYS 78 13.817 6.949 -1.232 587 HA LYS 78 HA LYS 78 15.770 6.665 0.802 588 1HB LYS 78 1HB LYS 78 15.463 8.538 -1.561 589 2HB LYS 78 2HB LYS 78 16.741 8.817 -0.363 590 1HG LYS 78 1HG LYS 78 17.507 6.474 -0.621 591 2HG LYS 78 2HG LYS 78 16.280 6.203 -1.868 592 1HD LYS 78 1HD LYS 78 18.278 6.593 -3.066 593 2HD LYS 78 2HD LYS 78 17.401 8.137 -3.143 594 1HE LYS 78 1HE LYS 78 18.725 8.784 -1.015 595 2HE LYS 78 2HE LYS 78 19.732 7.365 -1.328 596 1HZ LYS 78 1HZ LYS 78 20.233 8.404 -3.530 597 2HZ LYS 78 2HZ LYS 78 19.353 9.708 -3.062 598 3HZ LYS 78 3HZ LYS 78 20.747 9.301 -2.271 599 H LYS 79 H LYS 79 13.112 8.976 0.608 600 HA LYS 79 HA LYS 79 14.052 10.730 2.671 601 1HB LYS 79 1HB LYS 79 11.155 9.977 2.170 602 2HB LYS 79 2HB LYS 79 11.764 11.351 3.092 603 1HG LYS 79 1HG LYS 79 13.086 12.039 0.987 604 2HG LYS 79 2HG LYS 79 12.046 10.912 0.109 605 1HD LYS 79 1HD LYS 79 11.068 13.256 1.790 606 2HD LYS 79 2HD LYS 79 11.344 13.255 0.051 607 1HE LYS 79 1HE LYS 79 9.310 12.466 -0.334 608 2HE LYS 79 2HE LYS 79 9.685 10.984 0.556 609 1HZ LYS 79 1HZ LYS 79 8.836 13.375 2.064 610 2HZ LYS 79 2HZ LYS 79 7.745 12.526 1.197 611 3HZ LYS 79 3HZ LYS 79 8.551 11.766 2.371 612 H HIS 80 H HIS 80 12.914 7.403 2.848 613 HA HIS 80 HA HIS 80 12.771 7.584 5.799 614 1HB HIS 80 1HB HIS 80 11.724 5.562 3.839 615 2HB HIS 80 2HB HIS 80 11.457 5.525 5.591 616 HD1 HIS 80 HD1 HIS 80 9.257 6.016 2.985 617 HD2 HIS 80 HD2 HIS 80 10.669 8.690 5.900 618 HE1 HIS 80 HE1 HIS 80 7.443 7.753 3.302 619 H GLY 81 H GLY 81 15.183 7.276 3.744 620 1HA GLY 81 1HA GLY 81 16.592 5.490 5.490 621 2HA GLY 81 2HA GLY 81 17.283 6.411 4.145 622 H ALA 82 H ALA 82 14.660 4.627 3.135 623 HA ALA 82 HA ALA 82 16.001 2.080 2.508 624 1HB ALA 82 1HB ALA 82 13.946 1.713 1.094 625 2HB ALA 82 2HB ALA 82 13.623 1.932 2.820 626 3HB ALA 82 3HB ALA 82 13.326 3.260 1.690 627 H ASP 83 H ASP 83 17.763 2.322 1.115 628 HA ASP 83 HA ASP 83 17.725 4.438 -0.891 629 1HB ASP 83 1HB ASP 83 20.016 3.488 -1.408 630 2HB ASP 83 2HB ASP 83 19.789 4.301 0.093 631 H GLU 84 H GLU 84 19.017 3.325 -2.998 632 HA GLU 84 HA GLU 84 16.811 2.393 -4.454 633 1HB GLU 84 1HB GLU 84 18.290 3.659 -5.662 634 2HB GLU 84 2HB GLU 84 19.705 3.081 -4.757 635 1HG GLU 84 1HG GLU 84 19.739 1.033 -5.894 636 2HG GLU 84 2HG GLU 84 18.256 1.417 -6.809 637 H THR 85 H THR 85 19.590 0.651 -2.873 638 HA THR 85 HA THR 85 18.892 -1.853 -4.133 639 HB THR 85 HB THR 85 20.467 -1.223 -1.588 640 HG1 THR 85 HG1 THR 85 22.182 -1.315 -2.820 641 1HG2 THR 85 1HG2 THR 85 20.206 -3.808 -3.175 642 2HG2 THR 85 2HG2 THR 85 21.490 -3.504 -1.996 643 3HG2 THR 85 3HG2 THR 85 19.799 -3.551 -1.477 644 H MET 86 H MET 86 17.959 -0.256 -1.020 645 HA MET 86 HA MET 86 16.529 -2.492 0.031 646 1HB MET 86 1HB MET 86 16.561 0.532 0.473 647 2HB MET 86 2HB MET 86 15.503 -0.496 1.374 648 1HG MET 86 1HG MET 86 17.557 -1.854 2.074 649 2HG MET 86 2HG MET 86 18.526 -0.584 1.309 650 1HE MET 86 1HE MET 86 19.485 -1.090 3.921 651 2HE MET 86 2HE MET 86 19.908 0.439 3.115 652 3HE MET 86 3HE MET 86 19.417 0.439 4.831 653 H ALA 87 H ALA 87 15.458 0.390 -1.899 654 HA ALA 87 HA ALA 87 12.735 -0.445 -2.119 655 1HB ALA 87 1HB ALA 87 13.474 1.830 -2.653 656 2HB ALA 87 2HB ALA 87 12.745 1.097 -4.086 657 3HB ALA 87 3HB ALA 87 14.516 1.218 -3.961 658 H GLN 88 H GLN 88 15.538 -1.004 -4.353 659 HA GLN 88 HA GLN 88 14.101 -2.433 -6.256 660 1HB GLN 88 1HB GLN 88 16.458 -1.534 -6.460 661 2HB GLN 88 2HB GLN 88 17.015 -2.893 -5.470 662 1HG GLN 88 1HG GLN 88 17.455 -3.432 -7.733 663 2HG GLN 88 2HG GLN 88 16.068 -4.425 -7.298 664 1HE2 GLN 88 1HE2 GLN 88 13.957 -3.865 -8.243 665 2HE2 GLN 88 2HE2 GLN 88 13.855 -2.737 -9.591 666 H GLN 89 H GLN 89 15.643 -3.644 -3.294 667 HA GLN 89 HA GLN 89 15.287 -6.425 -3.596 668 1HB GLN 89 1HB GLN 89 15.453 -4.499 -1.278 669 2HB GLN 89 2HB GLN 89 14.946 -6.103 -0.920 670 1HG GLN 89 1HG GLN 89 17.526 -5.433 -2.393 671 2HG GLN 89 2HG GLN 89 17.412 -5.554 -0.643 672 1HE2 GLN 89 1HE2 GLN 89 19.235 -7.168 -1.324 673 2HE2 GLN 89 2HE2 GLN 89 18.724 -8.814 -1.640 674 H LEU 90 H LEU 90 12.988 -3.898 -2.467 675 HA LEU 90 HA LEU 90 10.889 -5.838 -1.861 676 1HB LEU 90 1HB LEU 90 10.848 -2.796 -2.139 677 2HB LEU 90 2HB LEU 90 9.513 -3.771 -1.559 678 HG LEU 90 HG LEU 90 12.213 -3.583 -0.170 679 1HD1 LEU 90 1HD1 LEU 90 11.028 -1.439 -0.220 680 2HD1 LEU 90 2HD1 LEU 90 9.559 -2.189 0.406 681 3HD1 LEU 90 3HD1 LEU 90 11.020 -2.085 1.414 682 1HD2 LEU 90 1HD2 LEU 90 10.740 -5.700 0.264 683 2HD2 LEU 90 2HD2 LEU 90 11.333 -4.796 1.647 684 3HD2 LEU 90 3HD2 LEU 90 9.661 -4.577 1.116 685 H ILE 91 H ILE 91 11.526 -3.470 -4.472 686 HA ILE 91 HA ILE 91 9.101 -3.829 -5.831 687 HB ILE 91 HB ILE 91 11.877 -2.896 -6.557 688 1HG1 ILE 91 1HG1 ILE 91 9.323 -1.264 -6.674 689 2HG1 ILE 91 2HG1 ILE 91 10.014 -1.644 -5.099 690 1HG2 ILE 91 1HG2 ILE 91 9.531 -2.903 -8.481 691 2HG2 ILE 91 2HG2 ILE 91 11.038 -1.999 -8.716 692 3HG2 ILE 91 3HG2 ILE 91 11.071 -3.763 -8.693 693 1HD1 ILE 91 1HD1 ILE 91 11.480 -0.193 -7.322 694 2HD1 ILE 91 2HD1 ILE 91 10.753 0.531 -5.874 695 3HD1 ILE 91 3HD1 ILE 91 12.110 -0.586 -5.703 696 H ASP 92 H ASP 92 12.136 -5.682 -6.052 697 HA ASP 92 HA ASP 92 11.325 -7.414 -8.175 698 1HB ASP 92 1HB ASP 92 13.599 -7.248 -6.849 699 2HB ASP 92 2HB ASP 92 12.902 -8.347 -5.721 700 H ILE 93 H ILE 93 11.087 -7.728 -4.737 701 HA ILE 93 HA ILE 93 9.604 -10.126 -4.619 702 HB ILE 93 HB ILE 93 9.859 -7.758 -2.658 703 1HG1 ILE 93 1HG1 ILE 93 10.911 -10.633 -2.883 704 2HG1 ILE 93 2HG1 ILE 93 11.821 -9.243 -3.234 705 1HG2 ILE 93 1HG2 ILE 93 8.373 -10.363 -2.198 706 2HG2 ILE 93 2HG2 ILE 93 8.817 -9.149 -0.941 707 3HG2 ILE 93 3HG2 ILE 93 7.671 -8.757 -2.212 708 1HD1 ILE 93 1HD1 ILE 93 10.805 -9.982 -0.446 709 2HD1 ILE 93 2HD1 ILE 93 12.457 -10.184 -1.072 710 3HD1 ILE 93 3HD1 ILE 93 11.828 -8.557 -0.872 711 H VAL 94 H VAL 94 8.200 -6.794 -4.815 712 HA VAL 94 HA VAL 94 5.482 -7.628 -4.579 713 HB VAL 94 HB VAL 94 6.761 -5.421 -6.237 714 1HG1 VAL 94 1HG1 VAL 94 3.791 -5.901 -5.719 715 2HG1 VAL 94 2HG1 VAL 94 4.500 -4.402 -6.400 716 3HG1 VAL 94 3HG1 VAL 94 4.587 -5.896 -7.294 717 1HG2 VAL 94 1HG2 VAL 94 6.886 -5.172 -3.779 718 2HG2 VAL 94 2HG2 VAL 94 5.809 -3.978 -4.533 719 3HG2 VAL 94 3HG2 VAL 94 5.125 -5.369 -3.656 720 H HIS 95 H HIS 95 7.622 -7.451 -7.469 721 HA HIS 95 HA HIS 95 5.517 -8.426 -9.191 722 1HB HIS 95 1HB HIS 95 8.484 -7.902 -9.571 723 2HB HIS 95 2HB HIS 95 7.336 -8.202 -10.871 724 HD1 HIS 95 HD1 HIS 95 8.965 -5.320 -9.828 725 HD2 HIS 95 HD2 HIS 95 4.934 -6.288 -9.429 726 HE1 HIS 95 HE1 HIS 95 7.686 -3.135 -9.828 727 H GLY 96 H GLY 96 8.052 -9.886 -7.312 728 1HA GLY 96 1HA GLY 96 8.484 -12.034 -6.763 729 2HA GLY 96 2HA GLY 96 7.903 -12.553 -8.358 730 H CYS 97 H CYS 97 5.976 -10.706 -6.156 731 HA CYS 97 HA CYS 97 4.568 -13.019 -5.006 732 1HB CYS 97 1HB CYS 97 4.529 -10.027 -4.505 733 2HB CYS 97 2HB CYS 97 3.242 -11.063 -3.897 734 H GLU 98 H GLU 98 4.044 -10.498 -7.437 735 HA GLU 98 HA GLU 98 1.329 -10.822 -7.919 736 1HB GLU 98 1HB GLU 98 3.642 -10.451 -9.814 737 2HB GLU 98 2HB GLU 98 1.986 -10.514 -10.383 738 1HG GLU 98 1HG GLU 98 1.466 -8.603 -8.789 739 2HG GLU 98 2HG GLU 98 3.176 -8.484 -8.489 740 H LYS 99 H LYS 99 4.092 -12.824 -8.889 741 HA LYS 99 HA LYS 99 2.688 -14.714 -10.540 742 1HB LYS 99 1HB LYS 99 5.436 -14.586 -9.348 743 2HB LYS 99 2HB LYS 99 4.895 -15.975 -10.298 744 1HG LYS 99 1HG LYS 99 4.725 -14.761 -12.299 745 2HG LYS 99 2HG LYS 99 4.508 -13.215 -11.469 746 1HD LYS 99 1HD LYS 99 6.674 -13.179 -12.388 747 2HD LYS 99 2HD LYS 99 6.775 -13.302 -10.623 748 1HE LYS 99 1HE LYS 99 6.814 -15.976 -11.493 749 2HE LYS 99 2HE LYS 99 7.733 -15.138 -12.754 750 1HZ LYS 99 1HZ LYS 99 9.069 -14.178 -10.868 751 2HZ LYS 99 2HZ LYS 99 8.277 -15.242 -9.864 752 3HZ LYS 99 3HZ LYS 99 9.248 -15.807 -11.038 753 H SER 100 H SER 100 4.182 -14.963 -7.195 754 HA SER 100 HA SER 100 3.511 -17.696 -6.935 755 1HB SER 100 1HB SER 100 3.973 -17.449 -4.563 756 2HB SER 100 2HB SER 100 5.188 -16.602 -5.535 757 HG SER 100 HG SER 100 3.225 -15.611 -3.826 758 H THR 101 H THR 101 1.739 -14.766 -6.079 759 HA THR 101 HA THR 101 -0.539 -15.969 -4.903 760 HB THR 101 HB THR 101 -0.363 -13.390 -6.529 761 HG1 THR 101 HG1 THR 101 1.054 -13.108 -5.022 762 1HG2 THR 101 1HG2 THR 101 -2.267 -14.281 -4.316 763 2HG2 THR 101 2HG2 THR 101 -2.220 -12.658 -5.070 764 3HG2 THR 101 3HG2 THR 101 -2.661 -14.065 -6.039 765 HA PRO 102 HA PRO 102 -2.014 -17.824 -8.798 766 1HB PRO 102 1HB PRO 102 -4.484 -18.616 -7.986 767 2HB PRO 102 2HB PRO 102 -2.997 -19.518 -7.616 768 1HG PRO 102 1HG PRO 102 -4.504 -17.648 -5.820 769 2HG PRO 102 2HG PRO 102 -3.705 -19.195 -5.415 770 1HD PRO 102 1HD PRO 102 -2.581 -16.747 -4.914 771 2HD PRO 102 2HD PRO 102 -1.602 -18.200 -5.270 772 H ALA 103 H ALA 103 -2.980 -16.818 -10.424 773 HA ALA 103 HA ALA 103 -4.045 -14.179 -10.242 774 1HB ALA 103 1HB ALA 103 -4.040 -16.206 -12.519 775 2HB ALA 103 2HB ALA 103 -2.838 -14.925 -12.223 776 3HB ALA 103 3HB ALA 103 -4.504 -14.492 -12.661 777 H ASN 104 H ASN 104 -5.717 -14.094 -8.988 778 HA ASN 104 HA ASN 104 -7.910 -15.985 -8.860 779 1HB ASN 104 1HB ASN 104 -6.877 -14.498 -7.007 780 2HB ASN 104 2HB ASN 104 -7.810 -13.176 -7.671 781 1HD2 ASN 104 1HD2 ASN 104 -7.802 -15.054 -5.075 782 2HD2 ASN 104 2HD2 ASN 104 -9.514 -15.240 -4.843 783 H ASP 105 H ASP 105 -9.969 -15.664 -9.523 784 HA ASP 105 HA ASP 105 -10.913 -14.283 -11.716 785 1HB ASP 105 1HB ASP 105 -11.933 -16.218 -10.711 786 2HB ASP 105 2HB ASP 105 -12.085 -15.423 -9.153 787 H ASP 106 H ASP 106 -10.496 -13.306 -8.366 788 HA ASP 106 HA ASP 106 -12.073 -10.806 -8.690 789 1HB ASP 106 1HB ASP 106 -12.614 -12.505 -6.872 790 2HB ASP 106 2HB ASP 106 -11.036 -12.309 -6.274 791 H LYS 107 H LYS 107 -10.754 -9.076 -9.260 792 HA LYS 107 HA LYS 107 -7.930 -9.237 -9.081 793 1HB LYS 107 1HB LYS 107 -9.770 -7.599 -10.362 794 2HB LYS 107 2HB LYS 107 -9.192 -6.529 -9.131 795 1HG LYS 107 1HG LYS 107 -7.670 -6.120 -10.844 796 2HG LYS 107 2HG LYS 107 -6.777 -7.279 -9.834 797 1HD LYS 107 1HD LYS 107 -6.800 -8.901 -11.423 798 2HD LYS 107 2HD LYS 107 -8.439 -8.532 -11.979 799 1HE LYS 107 1HE LYS 107 -7.741 -6.775 -13.392 800 2HE LYS 107 2HE LYS 107 -6.179 -6.620 -12.584 801 1HZ LYS 107 1HZ LYS 107 -6.945 -8.914 -14.299 802 2HZ LYS 107 2HZ LYS 107 -5.921 -7.692 -14.707 803 3HZ LYS 107 3HZ LYS 107 -5.512 -8.704 -13.505 804 H CYS 108 H CYS 108 -10.339 -7.831 -6.902 805 HA CYS 108 HA CYS 108 -8.553 -6.340 -5.225 806 1HB CYS 108 1HB CYS 108 -11.155 -7.743 -4.459 807 2HB CYS 108 2HB CYS 108 -10.295 -6.548 -3.551 808 H ILE 109 H ILE 109 -10.017 -9.607 -4.852 809 HA ILE 109 HA ILE 109 -8.550 -10.305 -2.543 810 HB ILE 109 HB ILE 109 -9.931 -11.994 -4.666 811 1HG1 ILE 109 1HG1 ILE 109 -10.864 -11.071 -1.903 812 2HG1 ILE 109 2HG1 ILE 109 -11.383 -10.360 -3.396 813 1HG2 ILE 109 1HG2 ILE 109 -8.950 -12.790 -1.903 814 2HG2 ILE 109 2HG2 ILE 109 -9.937 -13.807 -2.973 815 3HG2 ILE 109 3HG2 ILE 109 -8.306 -13.338 -3.462 816 1HD1 ILE 109 1HD1 ILE 109 -12.133 -12.770 -4.072 817 2HD1 ILE 109 2HD1 ILE 109 -12.106 -13.053 -2.313 818 3HD1 ILE 109 3HD1 ILE 109 -13.123 -11.767 -3.009 819 H TRP 110 H TRP 110 -7.752 -10.854 -6.035 820 HA TRP 110 HA TRP 110 -5.256 -12.102 -5.649 821 1HB TRP 110 1HB TRP 110 -6.166 -11.847 -7.878 822 2HB TRP 110 2HB TRP 110 -6.063 -10.107 -7.814 823 HD1 TRP 110 HD1 TRP 110 -3.824 -13.204 -7.966 824 HE1 TRP 110 HE1 TRP 110 -1.448 -12.573 -8.822 825 HE3 TRP 110 HE3 TRP 110 -4.443 -8.158 -8.248 826 HZ2 TRP 110 HZ2 TRP 110 -0.088 -10.144 -9.655 827 HZ3 TRP 110 HZ3 TRP 110 -2.607 -6.704 -8.993 828 HH2 TRP 110 HH2 TRP 110 -0.441 -7.664 -9.671 829 H THR 111 H THR 111 -5.880 -8.560 -5.869 830 HA THR 111 HA THR 111 -3.315 -7.640 -5.456 831 HB THR 111 HB THR 111 -6.025 -6.445 -4.735 832 HG1 THR 111 HG1 THR 111 -5.907 -6.809 -6.866 833 1HG2 THR 111 1HG2 THR 111 -3.308 -5.145 -4.764 834 2HG2 THR 111 2HG2 THR 111 -4.756 -4.256 -5.154 835 3HG2 THR 111 3HG2 THR 111 -4.627 -5.021 -3.545 836 H LEU 112 H LEU 112 -5.726 -8.481 -2.874 837 HA LEU 112 HA LEU 112 -4.013 -7.709 -0.684 838 1HB LEU 112 1HB LEU 112 -6.409 -7.682 -0.648 839 2HB LEU 112 2HB LEU 112 -6.514 -9.402 -0.969 840 HG LEU 112 HG LEU 112 -7.023 -8.568 1.348 841 1HD1 LEU 112 1HD1 LEU 112 -6.588 -10.901 0.795 842 2HD1 LEU 112 2HD1 LEU 112 -4.881 -10.676 1.217 843 3HD1 LEU 112 3HD1 LEU 112 -6.127 -10.478 2.466 844 1HD2 LEU 112 1HD2 LEU 112 -5.181 -6.945 1.594 845 2HD2 LEU 112 2HD2 LEU 112 -5.278 -8.107 2.936 846 3HD2 LEU 112 3HD2 LEU 112 -4.029 -8.291 1.696 847 H GLY 113 H GLY 113 -4.557 -10.670 -2.589 848 1HA GLY 113 1HA GLY 113 -3.286 -12.527 -2.842 849 2HA GLY 113 2HA GLY 113 -3.038 -12.554 -1.088 850 H VAL 114 H VAL 114 -2.034 -10.364 -3.823 851 HA VAL 114 HA VAL 114 0.715 -10.884 -3.699 852 HB VAL 114 HB VAL 114 -0.567 -8.244 -4.475 853 1HG1 VAL 114 1HG1 VAL 114 1.928 -8.147 -4.187 854 2HG1 VAL 114 2HG1 VAL 114 2.082 -9.489 -5.331 855 3HG1 VAL 114 3HG1 VAL 114 1.426 -7.940 -5.868 856 1HG2 VAL 114 1HG2 VAL 114 0.002 -10.768 -6.091 857 2HG2 VAL 114 2HG2 VAL 114 -1.578 -10.010 -5.827 858 3HG2 VAL 114 3HG2 VAL 114 -0.375 -9.179 -6.797 859 H ALA 115 H ALA 115 -1.168 -8.331 -1.934 860 HA ALA 115 HA ALA 115 1.005 -7.253 -0.528 861 1HB ALA 115 1HB ALA 115 -1.382 -6.332 -0.594 862 2HB ALA 115 2HB ALA 115 -0.641 -6.338 1.012 863 3HB ALA 115 3HB ALA 115 -1.833 -7.576 0.581 864 H THR 116 H THR 116 -1.055 -10.019 0.400 865 HA THR 116 HA THR 116 0.094 -10.378 2.994 866 HB THR 116 HB THR 116 -1.122 -12.515 1.157 867 HG1 THR 116 HG1 THR 116 -2.525 -10.738 1.448 868 1HG2 THR 116 1HG2 THR 116 -0.009 -13.409 3.216 869 2HG2 THR 116 2HG2 THR 116 -1.073 -12.392 4.202 870 3HG2 THR 116 3HG2 THR 116 -1.744 -13.689 3.183 871 H CYS 117 H CYS 117 0.921 -11.736 -0.216 872 HA CYS 117 HA CYS 117 3.143 -13.315 0.651 873 1HB CYS 117 1HB CYS 117 2.267 -13.699 -1.505 874 2HB CYS 117 2HB CYS 117 2.449 -12.022 -2.002 875 H PHE 118 H PHE 118 3.008 -9.855 -0.624 876 HA PHE 118 HA PHE 118 5.689 -9.455 -0.605 877 1HB PHE 118 1HB PHE 118 4.094 -7.913 -1.572 878 2HB PHE 118 2HB PHE 118 3.401 -7.540 0.011 879 HD1 PHE 118 HD1 PHE 118 7.001 -7.825 -0.051 880 HD2 PHE 118 HD2 PHE 118 3.780 -5.091 -0.708 881 HE1 PHE 118 HE1 PHE 118 8.585 -5.985 -0.064 882 HE2 PHE 118 HE2 PHE 118 5.359 -3.203 -0.560 883 HZ PHE 118 HZ PHE 118 7.745 -3.606 -0.262 884 H LYS 119 H LYS 119 3.577 -8.458 1.978 885 HA LYS 119 HA LYS 119 5.246 -7.754 4.037 886 1HB LYS 119 1HB LYS 119 2.572 -8.184 3.777 887 2HB LYS 119 2HB LYS 119 2.937 -9.547 4.744 888 1HG LYS 119 1HG LYS 119 3.528 -6.623 5.447 889 2HG LYS 119 2HG LYS 119 2.218 -7.617 6.103 890 1HD LYS 119 1HD LYS 119 3.903 -9.167 7.073 891 2HD LYS 119 2HD LYS 119 5.195 -8.067 6.501 892 1HE LYS 119 1HE LYS 119 4.374 -6.286 7.924 893 2HE LYS 119 2HE LYS 119 3.037 -7.300 8.475 894 1HZ LYS 119 1HZ LYS 119 5.808 -8.182 8.891 895 2HZ LYS 119 2HZ LYS 119 5.031 -7.163 9.963 896 3HZ LYS 119 3HZ LYS 119 4.450 -8.650 9.667 897 H ALA 120 H ALA 120 4.095 -11.083 3.444 898 HA ALA 120 HA ALA 120 5.679 -12.337 5.435 899 1HB ALA 120 1HB ALA 120 5.153 -14.432 4.331 900 2HB ALA 120 2HB ALA 120 3.719 -13.386 4.324 901 3HB ALA 120 3HB ALA 120 4.683 -13.584 2.844 902 H GLU 121 H GLU 121 6.520 -11.687 1.969 903 HA GLU 121 HA GLU 121 9.041 -13.026 2.057 904 1HB GLU 121 1HB GLU 121 8.169 -10.637 0.387 905 2HB GLU 121 2HB GLU 121 9.584 -11.599 0.092 906 1HG GLU 121 1HG GLU 121 6.739 -12.643 -0.117 907 2HG GLU 121 2HG GLU 121 7.811 -12.249 -1.417 908 H ILE 122 H ILE 122 8.208 -9.544 2.782 909 HA ILE 122 HA ILE 122 10.755 -8.658 3.305 910 HB ILE 122 HB ILE 122 8.442 -8.035 5.164 911 1HG1 ILE 122 1HG1 ILE 122 9.237 -6.460 2.694 912 2HG1 ILE 122 2HG1 ILE 122 7.883 -7.571 2.737 913 1HG2 ILE 122 1HG2 ILE 122 10.687 -7.313 5.973 914 2HG2 ILE 122 2HG2 ILE 122 10.933 -6.427 4.460 915 3HG2 ILE 122 3HG2 ILE 122 9.652 -5.955 5.599 916 1HD1 ILE 122 1HD1 ILE 122 6.861 -6.199 4.576 917 2HD1 ILE 122 2HD1 ILE 122 8.138 -4.990 4.303 918 3HD1 ILE 122 3HD1 ILE 122 7.015 -5.391 3.000 919 H HIS 123 H HIS 123 8.933 -10.985 5.286 920 HA HIS 123 HA HIS 123 10.731 -10.871 7.488 921 1HB HIS 123 1HB HIS 123 8.292 -11.997 7.063 922 2HB HIS 123 2HB HIS 123 9.297 -13.424 6.862 923 HD1 HIS 123 HD1 HIS 123 7.787 -14.164 9.087 924 HD2 HIS 123 HD2 HIS 123 10.537 -11.006 9.601 925 HE1 HIS 123 HE1 HIS 123 8.138 -13.891 11.592 926 H LYS 124 H LYS 124 11.069 -12.361 4.325 927 HA LYS 124 HA LYS 124 13.149 -14.228 5.110 928 1HB LYS 124 1HB LYS 124 13.090 -15.046 3.029 929 2HB LYS 124 2HB LYS 124 11.517 -14.252 3.019 930 1HG LYS 124 1HG LYS 124 12.972 -12.208 2.214 931 2HG LYS 124 2HG LYS 124 14.095 -13.433 1.661 932 1HD LYS 124 1HD LYS 124 11.149 -13.295 0.851 933 2HD LYS 124 2HD LYS 124 12.456 -12.524 -0.032 934 1HE LYS 124 1HE LYS 124 12.206 -14.474 -1.218 935 2HE LYS 124 2HE LYS 124 13.562 -14.848 -0.149 936 1HZ LYS 124 1HZ LYS 124 11.851 -15.969 1.286 937 2HZ LYS 124 2HZ LYS 124 10.740 -15.665 0.120 938 3HZ LYS 124 3HZ LYS 124 12.025 -16.655 -0.182 939 H LEU 125 H LEU 125 13.036 -10.816 4.427 940 HA LEU 125 HA LEU 125 15.725 -10.588 3.438 941 1HB LEU 125 1HB LEU 125 13.733 -8.547 4.502 942 2HB LEU 125 2HB LEU 125 15.334 -8.092 4.103 943 HG LEU 125 HG LEU 125 13.582 -9.457 2.036 944 1HD1 LEU 125 1HD1 LEU 125 13.912 -6.485 2.607 945 2HD1 LEU 125 2HD1 LEU 125 13.162 -7.167 1.145 946 3HD1 LEU 125 3HD1 LEU 125 12.429 -7.423 2.734 947 1HD2 LEU 125 1HD2 LEU 125 16.237 -7.976 2.068 948 2HD2 LEU 125 2HD2 LEU 125 15.848 -9.546 1.350 949 3HD2 LEU 125 3HD2 LEU 125 15.284 -8.069 0.569 950 H ASN 126 H ASN 126 17.327 -9.212 4.577 951 HA ASN 126 HA ASN 126 17.663 -9.892 7.420 952 1HB ASN 126 1HB ASN 126 20.034 -9.306 6.803 953 2HB ASN 126 2HB ASN 126 19.397 -10.725 5.982 954 1HD2 ASN 126 1HD2 ASN 126 20.288 -10.701 3.896 955 2HD2 ASN 126 2HD2 ASN 126 20.496 -9.175 3.023 956 H TRP 127 H TRP 127 16.146 -7.519 5.831 957 HA TRP 127 HA TRP 127 16.813 -5.587 7.912 958 1HB TRP 127 1HB TRP 127 16.963 -3.712 6.397 959 2HB TRP 127 2HB TRP 127 18.213 -4.865 6.019 960 HD1 TRP 127 HD1 TRP 127 17.562 -6.548 3.803 961 HE1 TRP 127 HE1 TRP 127 16.363 -5.951 1.639 962 HE3 TRP 127 HE3 TRP 127 15.356 -2.141 5.263 963 HZ2 TRP 127 HZ2 TRP 127 14.385 -4.054 0.772 964 HZ3 TRP 127 HZ3 TRP 127 13.801 -0.976 3.707 965 HH2 TRP 127 HH2 TRP 127 13.307 -1.937 1.476 966 H ALA 128 H ALA 128 15.154 -3.666 7.567 967 HA ALA 128 HA ALA 128 12.450 -4.856 7.139 968 1HB ALA 128 1HB ALA 128 13.406 -3.527 9.687 969 2HB ALA 128 2HB ALA 128 13.048 -5.258 9.460 970 3HB ALA 128 3HB ALA 128 11.746 -4.055 9.332 971 HA PRO 129 HA PRO 129 12.401 -0.583 5.458 972 1HB PRO 129 1HB PRO 129 9.782 -1.180 4.306 973 2HB PRO 129 2HB PRO 129 11.315 -0.894 3.456 974 1HG PRO 129 1HG PRO 129 9.977 -3.378 3.623 975 2HG PRO 129 2HG PRO 129 11.704 -3.156 3.232 976 1HD PRO 129 1HD PRO 129 10.486 -3.956 5.820 977 2HD PRO 129 2HD PRO 129 12.057 -4.416 5.075 978 H SER 130 H SER 130 11.006 1.268 5.991 979 HA SER 130 HA SER 130 9.247 1.057 8.264 980 1HB SER 130 1HB SER 130 9.021 3.155 6.098 981 2HB SER 130 2HB SER 130 8.740 3.325 7.821 982 HG SER 130 HG SER 130 11.204 2.707 7.830 983 H MET 131 H MET 131 6.762 1.216 8.137 984 HA MET 131 HA MET 131 5.658 -0.383 6.036 985 1HB MET 131 1HB MET 131 4.369 1.607 7.951 986 2HB MET 131 2HB MET 131 3.513 0.569 6.825 987 1HG MET 131 1HG MET 131 3.443 -0.911 8.508 988 2HG MET 131 2HG MET 131 5.084 -1.307 8.047 989 1HE MET 131 1HE MET 131 2.632 0.330 10.412 990 2HE MET 131 2HE MET 131 3.616 1.202 11.596 991 3HE MET 131 3HE MET 131 3.472 1.817 9.950 992 H ASP 132 H ASP 132 5.602 3.192 6.613 993 HA ASP 132 HA ASP 132 4.123 3.765 4.354 994 1HB ASP 132 1HB ASP 132 6.120 5.439 5.878 995 2HB ASP 132 2HB ASP 132 5.274 6.053 4.442 996 H VAL 133 H VAL 133 7.552 2.981 4.456 997 HA VAL 133 HA VAL 133 8.033 3.533 1.652 998 HB VAL 133 HB VAL 133 9.416 1.619 3.590 999 1HG1 VAL 133 1HG1 VAL 133 10.198 2.459 0.762 1000 2HG1 VAL 133 2HG1 VAL 133 11.239 1.561 1.889 1001 3HG1 VAL 133 3HG1 VAL 133 9.763 0.832 1.272 1002 1HG2 VAL 133 1HG2 VAL 133 9.708 4.008 4.154 1003 2HG2 VAL 133 2HG2 VAL 133 11.211 3.295 3.555 1004 3HG2 VAL 133 3HG2 VAL 133 10.233 4.327 2.487 1005 H ALA 134 H ALA 134 7.612 0.312 3.313 1006 HA ALA 134 HA ALA 134 7.435 -1.091 0.903 1007 1HB ALA 134 1HB ALA 134 7.838 -2.164 3.063 1008 2HB ALA 134 2HB ALA 134 6.170 -1.801 3.586 1009 3HB ALA 134 3HB ALA 134 6.472 -2.917 2.231 1010 H VAL 135 H VAL 135 4.655 0.083 2.881 1011 HA VAL 135 HA VAL 135 2.699 -0.968 1.052 1012 HB VAL 135 HB VAL 135 2.235 1.236 3.089 1013 1HG1 VAL 135 1HG1 VAL 135 0.390 0.613 1.452 1014 2HG1 VAL 135 2HG1 VAL 135 0.427 -1.026 2.102 1015 3HG1 VAL 135 3HG1 VAL 135 -0.033 0.340 3.152 1016 1HG2 VAL 135 1HG2 VAL 135 2.403 -1.773 3.505 1017 2HG2 VAL 135 2HG2 VAL 135 3.302 -0.536 4.382 1018 3HG2 VAL 135 3HG2 VAL 135 1.567 -0.687 4.642 1019 H GLY 136 H GLY 136 4.521 2.088 1.274 1020 1HA GLY 136 1HA GLY 136 4.746 3.801 -0.140 1021 2HA GLY 136 2HA GLY 136 3.044 3.691 -0.548 1022 H GLU 137 H GLU 137 5.784 1.359 -0.925 1023 HA GLU 137 HA GLU 137 6.264 1.935 -3.662 1024 1HB GLU 137 1HB GLU 137 7.137 -0.470 -2.014 1025 2HB GLU 137 2HB GLU 137 7.776 0.048 -3.578 1026 1HG GLU 137 1HG GLU 137 8.134 2.349 -2.066 1027 2HG GLU 137 2HG GLU 137 8.243 1.114 -0.842 1028 H ILE 138 H ILE 138 4.762 -0.918 -2.036 1029 HA ILE 138 HA ILE 138 4.225 -2.187 -4.465 1030 HB ILE 138 HB ILE 138 4.116 -3.393 -2.401 1031 1HG1 ILE 138 1HG1 ILE 138 1.378 -3.612 -3.703 1032 2HG1 ILE 138 2HG1 ILE 138 2.869 -4.182 -4.441 1033 1HG2 ILE 138 1HG2 ILE 138 2.961 -1.628 -1.023 1034 2HG2 ILE 138 2HG2 ILE 138 1.436 -2.041 -1.800 1035 3HG2 ILE 138 3HG2 ILE 138 2.293 -3.232 -0.774 1036 1HD1 ILE 138 1HD1 ILE 138 1.755 -5.241 -1.809 1037 2HD1 ILE 138 2HD1 ILE 138 1.577 -6.007 -3.389 1038 3HD1 ILE 138 3HD1 ILE 138 3.176 -5.861 -2.691 1039 H LEU 139 H LEU 139 2.315 0.383 -2.973 1040 HA LEU 139 HA LEU 139 0.025 0.127 -4.782 1041 1HB LEU 139 1HB LEU 139 1.177 2.413 -3.194 1042 2HB LEU 139 2HB LEU 139 -0.268 2.556 -4.054 1043 HG LEU 139 HG LEU 139 0.166 0.562 -1.759 1044 1HD1 LEU 139 1HD1 LEU 139 -1.241 3.266 -1.805 1045 2HD1 LEU 139 2HD1 LEU 139 -1.414 2.064 -0.499 1046 3HD1 LEU 139 3HD1 LEU 139 0.161 2.787 -0.827 1047 1HD2 LEU 139 1HD2 LEU 139 -2.375 1.319 -3.163 1048 2HD2 LEU 139 2HD2 LEU 139 -1.520 -0.234 -3.298 1049 3HD2 LEU 139 3HD2 LEU 139 -2.234 0.249 -1.755 1050 H ALA 140 H ALA 140 3.007 2.066 -4.697 1051 HA ALA 140 HA ALA 140 2.623 3.313 -7.242 1052 1HB ALA 140 1HB ALA 140 4.432 4.103 -5.903 1053 2HB ALA 140 2HB ALA 140 5.230 2.521 -5.893 1054 3HB ALA 140 3HB ALA 140 5.122 3.413 -7.387 1055 H GLU 141 H GLU 141 2.999 -0.110 -6.639 1056 HA GLU 141 HA GLU 141 3.993 -0.564 -9.384 1057 1HB GLU 141 1HB GLU 141 4.048 -2.079 -6.764 1058 2HB GLU 141 2HB GLU 141 4.496 -2.812 -8.299 1059 1HG GLU 141 1HG GLU 141 6.299 -1.257 -8.629 1060 2HG GLU 141 2HG GLU 141 5.754 -0.216 -7.321 1061 H VAL 142 H VAL 142 1.738 -2.161 -7.129 1062 HA VAL 142 HA VAL 142 1.104 -4.213 -8.810 1063 HB VAL 142 HB VAL 142 0.100 -3.102 -6.236 1064 1HG1 VAL 142 1HG1 VAL 142 -1.649 -5.071 -7.712 1065 2HG1 VAL 142 2HG1 VAL 142 -1.595 -4.898 -5.950 1066 3HG1 VAL 142 3HG1 VAL 142 -2.093 -3.511 -6.937 1067 1HG2 VAL 142 1HG2 VAL 142 1.964 -4.706 -6.520 1068 2HG2 VAL 142 2HG2 VAL 142 0.680 -5.377 -5.504 1069 3HG2 VAL 142 3HG2 VAL 142 0.852 -5.904 -7.193 No H/Q in entry = 1069 Start of MODEL 4 1 H SER 1 H SER 1 18.184 11.906 16.421 2 HA SER 1 HA SER 1 18.744 9.279 17.534 3 1HB SER 1 1HB SER 1 17.298 11.561 18.826 4 2HB SER 1 2HB SER 1 16.837 9.892 19.201 5 HG SER 1 HG SER 1 18.943 9.431 19.791 6 H GLN 2 H GLN 2 16.325 11.013 15.815 7 HA GLN 2 HA GLN 2 14.786 8.486 15.829 8 1HB GLN 2 1HB GLN 2 12.932 9.473 15.306 9 2HB GLN 2 2HB GLN 2 13.602 10.471 16.577 10 1HG GLN 2 1HG GLN 2 14.194 12.182 14.848 11 2HG GLN 2 2HG GLN 2 13.469 11.155 13.610 12 1HE2 GLN 2 1HE2 GLN 2 12.159 13.027 13.160 13 2HE2 GLN 2 2HE2 GLN 2 10.707 13.391 14.087 14 H GLU 3 H GLU 3 14.808 7.159 14.258 15 HA GLU 3 HA GLU 3 16.239 7.814 11.755 16 1HB GLU 3 1HB GLU 3 15.516 5.197 12.979 17 2HB GLU 3 2HB GLU 3 16.387 5.406 11.455 18 1HG GLU 3 1HG GLU 3 18.130 6.739 12.740 19 2HG GLU 3 2HG GLU 3 17.376 6.158 14.226 20 H VAL 4 H VAL 4 13.882 9.035 11.770 21 HA VAL 4 HA VAL 4 11.698 9.271 11.176 22 HB VAL 4 HB VAL 4 13.337 8.280 8.892 23 1HG1 VAL 4 1HG1 VAL 4 10.810 10.016 8.741 24 2HG1 VAL 4 2HG1 VAL 4 11.902 9.697 7.378 25 3HG1 VAL 4 3HG1 VAL 4 10.966 8.377 8.080 26 1HG2 VAL 4 1HG2 VAL 4 12.842 11.077 9.933 27 2HG2 VAL 4 2HG2 VAL 4 14.371 10.172 9.993 28 3HG2 VAL 4 3HG2 VAL 4 13.729 10.698 8.443 29 H MET 5 H MET 5 11.097 7.609 12.672 30 HA MET 5 HA MET 5 9.696 5.281 11.536 31 1HB MET 5 1HB MET 5 10.450 4.059 13.508 32 2HB MET 5 2HB MET 5 11.823 4.666 12.547 33 1HG MET 5 1HG MET 5 12.472 6.204 14.140 34 2HG MET 5 2HG MET 5 10.868 6.289 14.858 35 1HE MET 5 1HE MET 5 13.936 3.913 14.380 36 2HE MET 5 2HE MET 5 13.629 2.680 15.630 37 3HE MET 5 3HE MET 5 12.571 2.791 14.213 38 H LYS 6 H LYS 6 8.724 7.957 12.032 39 HA LYS 6 HA LYS 6 7.065 8.004 14.439 40 1HB LYS 6 1HB LYS 6 6.671 9.395 11.754 41 2HB LYS 6 2HB LYS 6 5.899 9.854 13.246 42 1HG LYS 6 1HG LYS 6 8.928 10.038 12.953 43 2HG LYS 6 2HG LYS 6 7.855 11.249 12.303 44 1HD LYS 6 1HD LYS 6 8.569 12.052 14.390 45 2HD LYS 6 2HD LYS 6 6.854 11.634 14.517 46 1HE LYS 6 1HE LYS 6 7.435 9.555 15.711 47 2HE LYS 6 2HE LYS 6 9.163 9.981 15.604 48 1HZ LYS 6 1HZ LYS 6 7.165 11.740 16.850 49 2HZ LYS 6 2HZ LYS 6 7.988 10.590 17.695 50 3HZ LYS 6 3HZ LYS 6 8.794 11.847 16.966 51 H ASN 7 H ASN 7 4.523 8.326 13.733 52 HA ASN 7 HA ASN 7 3.459 5.831 12.741 53 1HB ASN 7 1HB ASN 7 2.236 7.472 14.232 54 2HB ASN 7 2HB ASN 7 2.166 8.601 12.886 55 1HD2 ASN 7 1HD2 ASN 7 0.651 8.124 11.102 56 2HD2 ASN 7 2HD2 ASN 7 -0.600 6.930 11.321 57 H LEU 8 H LEU 8 2.151 5.726 10.733 58 HA LEU 8 HA LEU 8 3.179 6.351 8.239 59 1HB LEU 8 1HB LEU 8 1.423 4.766 8.630 60 2HB LEU 8 2HB LEU 8 0.367 5.964 9.324 61 HG LEU 8 HG LEU 8 -0.173 5.093 7.075 62 1HD1 LEU 8 1HD1 LEU 8 -1.082 7.223 8.142 63 2HD1 LEU 8 2HD1 LEU 8 0.003 8.114 7.053 64 3HD1 LEU 8 3HD1 LEU 8 -1.251 7.054 6.408 65 1HD2 LEU 8 1HD2 LEU 8 2.252 5.319 6.223 66 2HD2 LEU 8 2HD2 LEU 8 0.948 5.720 5.135 67 3HD2 LEU 8 3HD2 LEU 8 1.836 7.023 5.898 68 H SER 9 H SER 9 3.323 8.229 7.009 69 HA SER 9 HA SER 9 2.047 10.722 8.053 70 1HB SER 9 1HB SER 9 4.655 10.097 6.736 71 2HB SER 9 2HB SER 9 3.854 11.592 6.252 72 HG SER 9 HG SER 9 5.234 11.933 7.933 73 H LEU 10 H LEU 10 2.474 8.730 5.068 74 HA LEU 10 HA LEU 10 1.335 10.475 3.270 75 1HB LEU 10 1HB LEU 10 1.026 7.477 3.466 76 2HB LEU 10 2HB LEU 10 0.274 8.380 2.161 77 HG LEU 10 HG LEU 10 3.190 7.819 2.635 78 1HD1 LEU 10 1HD1 LEU 10 1.363 7.562 0.219 79 2HD1 LEU 10 2HD1 LEU 10 3.094 7.148 0.273 80 3HD1 LEU 10 3HD1 LEU 10 1.959 6.248 1.265 81 1HD2 LEU 10 1HD2 LEU 10 1.997 10.062 0.899 82 2HD2 LEU 10 2HD2 LEU 10 3.253 10.216 2.154 83 3HD2 LEU 10 3HD2 LEU 10 3.615 9.407 0.637 84 H ASN 11 H ASN 11 -0.643 11.291 2.767 85 HA ASN 11 HA ASN 11 -2.594 11.208 4.835 86 1HB ASN 11 1HB ASN 11 -2.026 13.202 3.406 87 2HB ASN 11 2HB ASN 11 -2.929 12.458 2.079 88 1HD2 ASN 11 1HD2 ASN 11 -4.553 14.280 2.125 89 2HD2 ASN 11 2HD2 ASN 11 -5.604 14.427 3.520 90 H PHE 12 H PHE 12 -2.645 8.641 4.276 91 HA PHE 12 HA PHE 12 -4.014 7.600 2.101 92 1HB PHE 12 1HB PHE 12 -3.362 6.631 4.875 93 2HB PHE 12 2HB PHE 12 -4.534 5.719 3.943 94 HD1 PHE 12 HD1 PHE 12 -3.978 5.019 1.557 95 HD2 PHE 12 HD2 PHE 12 -1.000 6.337 4.379 96 HE1 PHE 12 HE1 PHE 12 -2.200 4.084 0.131 97 HE2 PHE 12 HE2 PHE 12 0.789 5.348 2.943 98 HZ PHE 12 HZ PHE 12 0.187 4.237 0.824 99 H GLY 13 H GLY 13 -5.336 8.860 5.112 100 1HA GLY 13 1HA GLY 13 -7.462 9.575 5.620 101 2HA GLY 13 2HA GLY 13 -7.948 7.971 5.075 102 H LYS 14 H LYS 14 -6.578 10.653 3.079 103 HA LYS 14 HA LYS 14 -9.185 11.456 2.094 104 1HB LYS 14 1HB LYS 14 -6.353 12.284 1.738 105 2HB LYS 14 2HB LYS 14 -7.253 12.410 0.246 106 1HG LYS 14 1HG LYS 14 -8.475 13.526 2.776 107 2HG LYS 14 2HG LYS 14 -7.247 14.446 1.940 108 1HD LYS 14 1HD LYS 14 -9.602 13.373 0.358 109 2HD LYS 14 2HD LYS 14 -9.804 14.813 1.346 110 1HE LYS 14 1HE LYS 14 -7.691 14.546 -0.820 111 2HE LYS 14 2HE LYS 14 -9.278 15.298 -1.031 112 1HZ LYS 14 1HZ LYS 14 -8.574 16.920 0.744 113 2HZ LYS 14 2HZ LYS 14 -7.052 16.266 0.643 114 3HZ LYS 14 3HZ LYS 14 -7.740 16.967 -0.640 115 H ALA 15 H ALA 15 -6.447 9.593 0.420 116 HA ALA 15 HA ALA 15 -8.101 9.183 -1.912 117 1HB ALA 15 1HB ALA 15 -5.913 7.457 -0.743 118 2HB ALA 15 2HB ALA 15 -5.707 8.741 -1.969 119 3HB ALA 15 3HB ALA 15 -6.643 7.283 -2.348 120 H LEU 16 H LEU 16 -7.872 7.425 1.268 121 HA LEU 16 HA LEU 16 -9.527 5.247 0.441 122 1HB LEU 16 1HB LEU 16 -8.762 6.391 3.141 123 2HB LEU 16 2HB LEU 16 -9.993 5.132 3.025 124 HG LEU 16 HG LEU 16 -7.261 4.810 1.741 125 1HD1 LEU 16 1HD1 LEU 16 -8.157 3.858 4.491 126 2HD1 LEU 16 2HD1 LEU 16 -6.694 3.354 3.622 127 3HD1 LEU 16 3HD1 LEU 16 -6.877 5.054 4.157 128 1HD2 LEU 16 1HD2 LEU 16 -9.403 3.261 1.232 129 2HD2 LEU 16 2HD2 LEU 16 -7.798 2.568 1.472 130 3HD2 LEU 16 3HD2 LEU 16 -8.951 2.566 2.807 131 H ASP 17 H ASP 17 -10.322 8.469 1.816 132 HA ASP 17 HA ASP 17 -13.100 7.968 2.185 133 1HB ASP 17 1HB ASP 17 -11.743 9.947 3.098 134 2HB ASP 17 2HB ASP 17 -11.752 10.611 1.475 135 H GLU 18 H GLU 18 -11.243 8.958 -0.771 136 HA GLU 18 HA GLU 18 -13.666 9.099 -2.319 137 1HB GLU 18 1HB GLU 18 -10.751 8.770 -3.205 138 2HB GLU 18 2HB GLU 18 -12.091 9.360 -4.172 139 1HG GLU 18 1HG GLU 18 -11.276 10.793 -1.728 140 2HG GLU 18 2HG GLU 18 -10.506 11.083 -3.226 141 H CYS 19 H CYS 19 -11.078 6.575 -1.965 142 HA CYS 19 HA CYS 19 -12.037 4.786 -3.877 143 1HB CYS 19 1HB CYS 19 -10.364 4.548 -1.379 144 2HB CYS 19 2HB CYS 19 -10.778 3.138 -2.324 145 H LYS 20 H LYS 20 -12.846 5.076 -0.417 146 HA LYS 20 HA LYS 20 -14.519 2.767 -0.277 147 1HB LYS 20 1HB LYS 20 -15.305 3.640 1.797 148 2HB LYS 20 2HB LYS 20 -13.595 4.054 1.683 149 1HG LYS 20 1HG LYS 20 -14.219 6.085 2.318 150 2HG LYS 20 2HG LYS 20 -14.579 6.305 0.629 151 1HD LYS 20 1HD LYS 20 -16.374 7.205 1.928 152 2HD LYS 20 2HD LYS 20 -16.987 5.768 1.087 153 1HE LYS 20 1HE LYS 20 -17.799 5.712 3.394 154 2HE LYS 20 2HE LYS 20 -16.588 4.445 3.210 155 1HZ LYS 20 1HZ LYS 20 -14.970 5.998 4.289 156 2HZ LYS 20 2HZ LYS 20 -16.236 7.042 4.573 157 3HZ LYS 20 3HZ LYS 20 -16.223 5.552 5.235 158 H LYS 21 H LYS 21 -15.097 5.999 -1.757 159 HA LYS 21 HA LYS 21 -17.919 5.364 -1.933 160 1HB LYS 21 1HB LYS 21 -16.350 7.719 -3.024 161 2HB LYS 21 2HB LYS 21 -18.107 7.541 -3.042 162 1HG LYS 21 1HG LYS 21 -18.133 7.417 -0.571 163 2HG LYS 21 2HG LYS 21 -16.387 7.536 -0.533 164 1HD LYS 21 1HD LYS 21 -16.430 9.752 -1.566 165 2HD LYS 21 2HD LYS 21 -18.215 9.719 -1.547 166 1HE LYS 21 1HE LYS 21 -18.167 9.411 0.913 167 2HE LYS 21 2HE LYS 21 -16.390 9.450 0.875 168 1HZ LYS 21 1HZ LYS 21 -16.509 11.691 0.041 169 2HZ LYS 21 2HZ LYS 21 -18.170 11.662 0.086 170 3HZ LYS 21 3HZ LYS 21 -17.278 11.541 1.478 171 H GLU 22 H GLU 22 -15.006 5.572 -4.002 172 HA GLU 22 HA GLU 22 -16.036 5.233 -6.548 173 1HB GLU 22 1HB GLU 22 -13.453 4.085 -5.402 174 2HB GLU 22 2HB GLU 22 -13.843 4.135 -7.101 175 1HG GLU 22 1HG GLU 22 -14.180 6.794 -6.085 176 2HG GLU 22 2HG GLU 22 -12.652 6.186 -5.466 177 H MET 23 H MET 23 -14.807 2.622 -4.438 178 HA MET 23 HA MET 23 -16.207 0.612 -6.072 179 1HB MET 23 1HB MET 23 -14.747 -0.280 -3.703 180 2HB MET 23 2HB MET 23 -14.710 -0.882 -5.301 181 1HG MET 23 1HG MET 23 -13.277 1.545 -5.414 182 2HG MET 23 2HG MET 23 -12.844 0.831 -3.879 183 1HE MET 23 1HE MET 23 -12.788 0.774 -7.647 184 2HE MET 23 2HE MET 23 -11.285 1.434 -7.002 185 3HE MET 23 3HE MET 23 -11.252 -0.058 -7.968 186 H THR 24 H THR 24 -17.386 2.608 -3.964 187 HA THR 24 HA THR 24 -18.600 2.793 -2.134 188 HB THR 24 HB THR 24 -20.097 2.251 -3.999 189 HG1 THR 24 HG1 THR 24 -21.766 1.492 -2.164 190 1HG2 THR 24 1HG2 THR 24 -20.095 -0.515 -2.763 191 2HG2 THR 24 2HG2 THR 24 -21.426 0.109 -3.746 192 3HG2 THR 24 3HG2 THR 24 -19.785 -0.051 -4.430 193 H LEU 25 H LEU 25 -16.377 1.108 -1.535 194 HA LEU 25 HA LEU 25 -17.040 -1.277 -0.244 195 1HB LEU 25 1HB LEU 25 -14.845 0.468 0.845 196 2HB LEU 25 2HB LEU 25 -14.911 -1.261 0.855 197 HG LEU 25 HG LEU 25 -14.532 0.325 -1.735 198 1HD1 LEU 25 1HD1 LEU 25 -12.678 0.727 -0.153 199 2HD1 LEU 25 2HD1 LEU 25 -12.464 -1.032 0.029 200 3HD1 LEU 25 3HD1 LEU 25 -12.177 -0.250 -1.541 201 1HD2 LEU 25 1HD2 LEU 25 -14.172 -2.637 -1.023 202 2HD2 LEU 25 2HD2 LEU 25 -15.397 -1.943 -2.092 203 3HD2 LEU 25 3HD2 LEU 25 -13.695 -1.886 -2.560 204 H THR 26 H THR 26 -16.562 -1.689 2.131 205 HA THR 26 HA THR 26 -18.578 -0.280 3.747 206 HB THR 26 HB THR 26 -17.809 -2.086 5.452 207 HG1 THR 26 HG1 THR 26 -15.848 -2.488 4.150 208 1HG2 THR 26 1HG2 THR 26 -19.900 -2.211 4.152 209 2HG2 THR 26 2HG2 THR 26 -19.036 -2.954 2.799 210 3HG2 THR 26 3HG2 THR 26 -19.172 -3.810 4.358 211 H ASP 27 H ASP 27 -18.092 0.467 5.990 212 HA ASP 27 HA ASP 27 -15.846 2.267 5.872 213 1HB ASP 27 1HB ASP 27 -18.285 2.298 7.162 214 2HB ASP 27 2HB ASP 27 -17.218 1.844 8.478 215 H ALA 28 H ALA 28 -16.355 -0.809 7.291 216 HA ALA 28 HA ALA 28 -14.451 -1.196 9.192 217 1HB ALA 28 1HB ALA 28 -14.783 -2.984 6.734 218 2HB ALA 28 2HB ALA 28 -14.019 -3.442 8.271 219 3HB ALA 28 3HB ALA 28 -15.741 -3.052 8.235 220 H ILE 29 H ILE 29 -13.703 -0.857 5.703 221 HA ILE 29 HA ILE 29 -10.926 -1.324 5.736 222 HB ILE 29 HB ILE 29 -10.885 -0.547 3.578 223 1HG1 ILE 29 1HG1 ILE 29 -13.199 0.617 2.730 224 2HG1 ILE 29 2HG1 ILE 29 -13.165 1.234 4.397 225 1HG2 ILE 29 1HG2 ILE 29 -12.201 -2.622 3.972 226 2HG2 ILE 29 2HG2 ILE 29 -13.696 -1.662 3.897 227 3HG2 ILE 29 3HG2 ILE 29 -12.626 -1.760 2.490 228 1HD1 ILE 29 1HD1 ILE 29 -10.751 1.869 3.959 229 2HD1 ILE 29 2HD1 ILE 29 -11.035 1.488 2.258 230 3HD1 ILE 29 3HD1 ILE 29 -11.959 2.805 3.034 231 H ASN 30 H ASN 30 -12.559 1.440 6.987 232 HA ASN 30 HA ASN 30 -10.427 3.363 6.715 233 1HB ASN 30 1HB ASN 30 -12.988 3.603 7.298 234 2HB ASN 30 2HB ASN 30 -12.482 3.294 8.960 235 1HD2 ASN 30 1HD2 ASN 30 -13.729 5.657 7.713 236 2HD2 ASN 30 2HD2 ASN 30 -12.606 6.993 7.825 237 H GLU 31 H GLU 31 -11.094 0.693 8.894 238 HA GLU 31 HA GLU 31 -8.728 1.329 10.590 239 1HB GLU 31 1HB GLU 31 -11.189 -0.412 11.065 240 2HB GLU 31 2HB GLU 31 -9.771 -0.406 12.120 241 1HG GLU 31 1HG GLU 31 -11.352 2.135 11.525 242 2HG GLU 31 2HG GLU 31 -11.787 1.010 12.820 243 H ASP 32 H ASP 32 -10.495 -1.299 8.850 244 HA ASP 32 HA ASP 32 -8.639 -3.175 9.637 245 1HB ASP 32 1HB ASP 32 -11.147 -3.334 8.600 246 2HB ASP 32 2HB ASP 32 -10.192 -3.964 7.251 247 H PHE 33 H PHE 33 -8.411 -1.096 6.950 248 HA PHE 33 HA PHE 33 -6.362 -2.430 5.463 249 1HB PHE 33 1HB PHE 33 -7.510 -0.456 4.613 250 2HB PHE 33 2HB PHE 33 -7.034 0.481 6.016 251 HD1 PHE 33 HD1 PHE 33 -5.678 2.219 5.299 252 HD2 PHE 33 HD2 PHE 33 -4.920 -1.755 3.802 253 HE1 PHE 33 HE1 PHE 33 -3.774 3.084 3.981 254 HE2 PHE 33 HE2 PHE 33 -3.021 -0.901 2.505 255 HZ PHE 33 HZ PHE 33 -2.465 1.558 2.557 256 H TYR 34 H TYR 34 -6.281 -0.154 8.202 257 HA TYR 34 HA TYR 34 -3.382 -0.057 8.370 258 1HB TYR 34 1HB TYR 34 -5.613 0.830 10.264 259 2HB TYR 34 2HB TYR 34 -3.924 1.156 10.484 260 HD1 TYR 34 HD1 TYR 34 -6.846 1.765 8.215 261 HD2 TYR 34 HD2 TYR 34 -2.878 3.093 9.341 262 HE1 TYR 34 HE1 TYR 34 -7.138 3.767 6.809 263 HE2 TYR 34 HE2 TYR 34 -3.214 5.145 8.041 264 HH TYR 34 HH TYR 34 -4.974 6.505 7.271 265 H ASN 35 H ASN 35 -6.037 -1.715 9.947 266 HA ASN 35 HA ASN 35 -4.564 -3.293 11.832 267 1HB ASN 35 1HB ASN 35 -7.028 -4.209 10.321 268 2HB ASN 35 2HB ASN 35 -6.338 -4.964 11.718 269 1HD2 ASN 35 1HD2 ASN 35 -9.059 -3.929 11.436 270 2HD2 ASN 35 2HD2 ASN 35 -9.232 -2.737 12.735 271 H PHE 36 H PHE 36 -5.065 -3.770 8.314 272 HA PHE 36 HA PHE 36 -4.624 -6.399 8.043 273 1HB PHE 36 1HB PHE 36 -5.175 -4.856 6.219 274 2HB PHE 36 2HB PHE 36 -3.516 -4.250 6.255 275 HD1 PHE 36 HD1 PHE 36 -3.824 -7.939 6.509 276 HD2 PHE 36 HD2 PHE 36 -3.475 -4.529 3.877 277 HE1 PHE 36 HE1 PHE 36 -3.067 -9.413 4.689 278 HE2 PHE 36 HE2 PHE 36 -2.718 -6.029 2.057 279 HZ PHE 36 HZ PHE 36 -2.493 -8.468 2.469 280 H TRP 37 H TRP 37 -2.115 -3.899 8.415 281 HA TRP 37 HA TRP 37 0.135 -5.590 7.981 282 1HB TRP 37 1HB TRP 37 0.177 -3.075 9.662 283 2HB TRP 37 2HB TRP 37 1.438 -3.703 8.604 284 HD1 TRP 37 HD1 TRP 37 -0.257 -3.962 5.922 285 HE1 TRP 37 HE1 TRP 37 -1.164 -1.942 4.704 286 HE3 TRP 37 HE3 TRP 37 -0.003 -0.586 9.750 287 HZ2 TRP 37 HZ2 TRP 37 -1.912 0.813 5.386 288 HZ3 TRP 37 HZ3 TRP 37 -0.737 1.762 9.415 289 HH2 TRP 37 HH2 TRP 37 -1.713 2.464 7.233 290 H LYS 38 H LYS 38 -1.863 -5.076 10.851 291 HA LYS 38 HA LYS 38 0.199 -5.490 12.845 292 1HB LYS 38 1HB LYS 38 -2.849 -5.740 12.946 293 2HB LYS 38 2HB LYS 38 -1.790 -5.844 14.347 294 1HG LYS 38 1HG LYS 38 -1.047 -3.538 14.019 295 2HG LYS 38 2HG LYS 38 -2.079 -3.370 12.585 296 1HD LYS 38 1HD LYS 38 -4.014 -3.179 13.812 297 2HD LYS 38 2HD LYS 38 -3.514 -4.389 14.978 298 1HE LYS 38 1HE LYS 38 -2.001 -2.695 16.043 299 2HE LYS 38 2HE LYS 38 -2.651 -1.472 14.923 300 1HZ LYS 38 1HZ LYS 38 -4.345 -3.053 16.768 301 2HZ LYS 38 2HZ LYS 38 -3.792 -1.531 17.096 302 3HZ LYS 38 3HZ LYS 38 -4.797 -1.761 15.848 303 H GLU 39 H GLU 39 0.389 -7.350 14.209 304 HA GLU 39 HA GLU 39 0.176 -9.801 12.707 305 1HB GLU 39 1HB GLU 39 1.548 -8.983 15.283 306 2HB GLU 39 2HB GLU 39 1.535 -10.650 14.673 307 1HG GLU 39 1HG GLU 39 3.563 -9.623 13.886 308 2HG GLU 39 2HG GLU 39 2.497 -9.924 12.527 309 H GLY 40 H GLY 40 -0.466 -11.790 13.611 310 1HA GLY 40 1HA GLY 40 -2.452 -12.072 15.640 311 2HA GLY 40 2HA GLY 40 -2.057 -13.211 14.354 312 H TYR 41 H TYR 41 -2.766 -10.464 12.624 313 HA TYR 41 HA TYR 41 -5.638 -10.509 12.966 314 1HB TYR 41 1HB TYR 41 -3.553 -8.642 12.749 315 2HB TYR 41 2HB TYR 41 -4.304 -8.539 11.212 316 HD1 TYR 41 HD1 TYR 41 -7.228 -8.682 11.718 317 HD2 TYR 41 HD2 TYR 41 -4.098 -7.109 14.174 318 HE1 TYR 41 HE1 TYR 41 -8.783 -6.977 12.486 319 HE2 TYR 41 HE2 TYR 41 -5.706 -5.352 15.056 320 HH TYR 41 HH TYR 41 -9.110 -5.144 14.046 321 H GLU 42 H GLU 42 -6.917 -11.583 11.552 322 HA GLU 42 HA GLU 42 -5.703 -12.597 9.028 323 1HB GLU 42 1HB GLU 42 -7.964 -13.533 10.803 324 2HB GLU 42 2HB GLU 42 -7.839 -14.067 9.120 325 1HG GLU 42 1HG GLU 42 -6.800 -15.721 10.368 326 2HG GLU 42 2HG GLU 42 -5.566 -14.889 9.480 327 H ILE 43 H ILE 43 -5.931 -10.265 8.284 328 HA ILE 43 HA ILE 43 -8.610 -9.528 7.388 329 HB ILE 43 HB ILE 43 -6.090 -8.085 6.648 330 1HG1 ILE 43 1HG1 ILE 43 -7.150 -6.475 8.428 331 2HG1 ILE 43 2HG1 ILE 43 -8.030 -7.819 8.989 332 1HG2 ILE 43 1HG2 ILE 43 -8.081 -7.745 5.184 333 2HG2 ILE 43 2HG2 ILE 43 -9.066 -7.373 6.615 334 3HG2 ILE 43 3HG2 ILE 43 -7.724 -6.294 6.159 335 1HD1 ILE 43 1HD1 ILE 43 -5.074 -8.236 8.758 336 2HD1 ILE 43 2HD1 ILE 43 -5.715 -7.174 10.045 337 3HD1 ILE 43 3HD1 ILE 43 -6.238 -8.859 9.900 338 H LYS 44 H LYS 44 -8.969 -11.534 6.287 339 HA LYS 44 HA LYS 44 -7.654 -11.831 3.640 340 1HB LYS 44 1HB LYS 44 -8.514 -14.104 3.628 341 2HB LYS 44 2HB LYS 44 -7.365 -13.784 4.907 342 1HG LYS 44 1HG LYS 44 -8.866 -13.991 6.597 343 2HG LYS 44 2HG LYS 44 -10.216 -13.389 5.627 344 1HD LYS 44 1HD LYS 44 -8.984 -16.143 5.250 345 2HD LYS 44 2HD LYS 44 -10.384 -15.816 6.287 346 1HE LYS 44 1HE LYS 44 -11.587 -14.841 4.301 347 2HE LYS 44 2HE LYS 44 -10.211 -15.310 3.287 348 1HZ LYS 44 1HZ LYS 44 -10.688 -17.624 4.252 349 2HZ LYS 44 2HZ LYS 44 -12.177 -17.041 4.601 350 3HZ LYS 44 3HZ LYS 44 -11.657 -17.067 3.041 351 H ASN 45 H ASN 45 -9.883 -9.933 4.528 352 HA ASN 45 HA ASN 45 -12.175 -10.752 2.894 353 1HB ASN 45 1HB ASN 45 -12.919 -9.368 4.588 354 2HB ASN 45 2HB ASN 45 -11.538 -8.261 4.445 355 1HD2 ASN 45 1HD2 ASN 45 -14.681 -9.072 2.953 356 2HD2 ASN 45 2HD2 ASN 45 -14.672 -7.914 1.688 357 H ARG 46 H ARG 46 -12.801 -9.662 1.122 358 HA ARG 46 HA ARG 46 -10.811 -9.655 -1.029 359 1HB ARG 46 1HB ARG 46 -13.774 -9.005 -1.133 360 2HB ARG 46 2HB ARG 46 -12.744 -9.548 -2.451 361 1HG ARG 46 1HG ARG 46 -12.561 -11.759 -1.464 362 2HG ARG 46 2HG ARG 46 -13.338 -11.263 0.022 363 1HD ARG 46 1HD ARG 46 -15.395 -10.909 -0.878 364 2HD ARG 46 2HD ARG 46 -14.813 -10.893 -2.577 365 HE ARG 46 HE ARG 46 -14.046 -13.348 -1.712 366 1HH1 ARG 46 1HH1 ARG 46 -15.247 -15.275 -1.907 367 2HH1 ARG 46 2HH1 ARG 46 -16.891 -15.247 -2.454 368 1HH2 ARG 46 1HH2 ARG 46 -17.131 -11.693 -2.225 369 2HH2 ARG 46 2HH2 ARG 46 -18.015 -13.138 -2.581 370 H GLU 47 H GLU 47 -12.885 -7.317 0.629 371 HA GLU 47 HA GLU 47 -12.852 -5.155 -1.304 372 1HB GLU 47 1HB GLU 47 -14.070 -5.673 1.369 373 2HB GLU 47 2HB GLU 47 -14.127 -4.085 0.580 374 1HG GLU 47 1HG GLU 47 -15.068 -6.778 -0.509 375 2HG GLU 47 2HG GLU 47 -16.004 -5.484 0.184 376 H THR 48 H THR 48 -11.096 -6.052 1.749 377 HA THR 48 HA THR 48 -9.496 -3.782 2.069 378 HB THR 48 HB THR 48 -8.898 -6.753 2.392 379 HG1 THR 48 HG1 THR 48 -9.321 -6.217 4.589 380 1HG2 THR 48 1HG2 THR 48 -6.739 -5.359 2.318 381 2HG2 THR 48 2HG2 THR 48 -7.320 -4.569 3.800 382 3HG2 THR 48 3HG2 THR 48 -7.011 -6.310 3.767 383 H GLY 49 H GLY 49 -9.043 -6.591 -0.110 384 1HA GLY 49 1HA GLY 49 -7.998 -6.788 -2.112 385 2HA GLY 49 2HA GLY 49 -6.679 -5.781 -1.449 386 H CYS 50 H CYS 50 -10.168 -5.149 -2.165 387 HA CYS 50 HA CYS 50 -9.738 -3.642 -4.486 388 1HB CYS 50 1HB CYS 50 -11.916 -3.243 -2.435 389 2HB CYS 50 2HB CYS 50 -11.955 -2.684 -4.052 390 H ALA 51 H ALA 51 -9.843 -2.476 -1.044 391 HA ALA 51 HA ALA 51 -9.630 0.255 -1.838 392 1HB ALA 51 1HB ALA 51 -8.876 0.705 0.532 393 2HB ALA 51 2HB ALA 51 -8.749 -1.041 0.784 394 3HB ALA 51 3HB ALA 51 -10.324 -0.310 0.480 395 H ILE 52 H ILE 52 -7.083 -2.175 -1.104 396 HA ILE 52 HA ILE 52 -4.853 -0.437 -1.366 397 HB ILE 52 HB ILE 52 -5.194 -3.416 -1.762 398 1HG1 ILE 52 1HG1 ILE 52 -4.034 -1.826 0.563 399 2HG1 ILE 52 2HG1 ILE 52 -5.696 -2.318 0.520 400 1HG2 ILE 52 1HG2 ILE 52 -2.657 -1.729 -1.590 401 2HG2 ILE 52 2HG2 ILE 52 -2.664 -3.480 -1.434 402 3HG2 ILE 52 3HG2 ILE 52 -3.158 -2.729 -2.959 403 1HD1 ILE 52 1HD1 ILE 52 -5.033 -4.687 0.455 404 2HD1 ILE 52 2HD1 ILE 52 -3.327 -4.183 0.599 405 3HD1 ILE 52 3HD1 ILE 52 -4.477 -3.821 1.895 406 H MET 53 H MET 53 -6.571 -2.542 -3.723 407 HA MET 53 HA MET 53 -5.076 -2.023 -6.046 408 1HB MET 53 1HB MET 53 -6.718 -3.869 -5.555 409 2HB MET 53 2HB MET 53 -8.009 -2.720 -5.630 410 1HG MET 53 1HG MET 53 -6.727 -2.488 -8.008 411 2HG MET 53 2HG MET 53 -6.380 -4.142 -7.671 412 1HE MET 53 1HE MET 53 -9.283 -1.558 -7.611 413 2HE MET 53 2HE MET 53 -10.740 -2.518 -7.973 414 3HE MET 53 3HE MET 53 -9.986 -2.638 -6.387 415 H CYS 54 H CYS 54 -7.897 -0.270 -4.692 416 HA CYS 54 HA CYS 54 -8.114 1.660 -6.862 417 1HB CYS 54 1HB CYS 54 -9.941 1.172 -5.279 418 2HB CYS 54 2HB CYS 54 -8.971 1.722 -3.925 419 H LEU 55 H LEU 55 -6.526 1.598 -3.636 420 HA LEU 55 HA LEU 55 -5.538 4.223 -3.767 421 1HB LEU 55 1HB LEU 55 -4.654 1.718 -2.287 422 2HB LEU 55 2HB LEU 55 -3.669 3.165 -2.185 423 HG LEU 55 HG LEU 55 -6.628 3.153 -1.442 424 1HD1 LEU 55 1HD1 LEU 55 -4.126 2.772 0.261 425 2HD1 LEU 55 2HD1 LEU 55 -5.721 3.161 0.924 426 3HD1 LEU 55 3HD1 LEU 55 -5.459 1.636 0.047 427 1HD2 LEU 55 1HD2 LEU 55 -5.632 5.323 -2.073 428 2HD2 LEU 55 2HD2 LEU 55 -6.031 5.248 -0.340 429 3HD2 LEU 55 3HD2 LEU 55 -4.341 5.075 -0.899 430 H SER 56 H SER 56 -4.194 1.312 -5.303 431 HA SER 56 HA SER 56 -1.612 2.391 -5.666 432 1HB SER 56 1HB SER 56 -1.219 0.464 -7.015 433 2HB SER 56 2HB SER 56 -2.225 -0.030 -5.685 434 HG SER 56 HG SER 56 -2.605 -0.716 -7.908 435 H THR 57 H THR 57 -4.403 3.621 -6.933 436 HA THR 57 HA THR 57 -2.893 4.911 -9.129 437 HB THR 57 HB THR 57 -4.132 3.352 -10.314 438 HG1 THR 57 HG1 THR 57 -4.603 5.848 -10.665 439 1HG2 THR 57 1HG2 THR 57 -6.595 4.094 -8.694 440 2HG2 THR 57 2HG2 THR 57 -6.613 3.087 -10.161 441 3HG2 THR 57 3HG2 THR 57 -5.759 2.535 -8.720 442 H LYS 58 H LYS 58 -3.553 5.564 -6.260 443 HA LYS 58 HA LYS 58 -4.925 8.205 -6.722 444 1HB LYS 58 1HB LYS 58 -5.147 6.210 -4.432 445 2HB LYS 58 2HB LYS 58 -5.737 7.851 -4.309 446 1HG LYS 58 1HG LYS 58 -6.750 6.298 -6.652 447 2HG LYS 58 2HG LYS 58 -7.337 5.822 -5.056 448 1HD LYS 58 1HD LYS 58 -8.076 8.066 -4.579 449 2HD LYS 58 2HD LYS 58 -7.528 8.601 -6.173 450 1HE LYS 58 1HE LYS 58 -9.443 6.244 -5.759 451 2HE LYS 58 2HE LYS 58 -10.011 7.893 -5.858 452 1HZ LYS 58 1HZ LYS 58 -8.509 6.580 -8.059 453 2HZ LYS 58 2HZ LYS 58 -10.125 6.735 -7.970 454 3HZ LYS 58 3HZ LYS 58 -9.181 8.072 -8.093 455 H LEU 59 H LEU 59 -1.888 7.258 -6.369 456 HA LEU 59 HA LEU 59 -1.127 8.104 -3.768 457 1HB LEU 59 1HB LEU 59 0.690 8.381 -6.178 458 2HB LEU 59 2HB LEU 59 1.120 7.792 -4.573 459 HG LEU 59 HG LEU 59 -0.456 6.282 -6.713 460 1HD1 LEU 59 1HD1 LEU 59 1.993 6.701 -7.283 461 2HD1 LEU 59 2HD1 LEU 59 2.391 5.624 -5.926 462 3HD1 LEU 59 3HD1 LEU 59 1.425 5.025 -7.276 463 1HD2 LEU 59 1HD2 LEU 59 -0.906 5.540 -4.343 464 2HD2 LEU 59 2HD2 LEU 59 -0.177 4.324 -5.402 465 3HD2 LEU 59 3HD2 LEU 59 0.835 5.174 -4.206 466 H ASN 60 H ASN 60 -1.802 9.940 -6.671 467 HA ASN 60 HA ASN 60 -0.418 12.374 -6.160 468 1HB ASN 60 1HB ASN 60 -2.161 13.358 -7.614 469 2HB ASN 60 2HB ASN 60 -1.549 11.838 -8.293 470 1HD2 ASN 60 1HD2 ASN 60 -4.476 13.467 -6.991 471 2HD2 ASN 60 2HD2 ASN 60 -5.489 12.053 -7.252 472 H MET 61 H MET 61 -3.336 10.998 -4.681 473 HA MET 61 HA MET 61 -4.282 13.457 -3.474 474 1HB MET 61 1HB MET 61 -4.700 10.530 -2.754 475 2HB MET 61 2HB MET 61 -5.627 11.857 -2.087 476 1HG MET 61 1HG MET 61 -5.549 11.201 -5.062 477 2HG MET 61 2HG MET 61 -6.709 10.506 -3.958 478 1HE MET 61 1HE MET 61 -8.466 11.584 -2.736 479 2HE MET 61 2HE MET 61 -7.639 12.975 -2.022 480 3HE MET 61 3HE MET 61 -9.113 13.219 -2.987 481 H LEU 62 H LEU 62 -1.737 11.184 -2.819 482 HA LEU 62 HA LEU 62 -1.866 11.477 0.119 483 1HB LEU 62 1HB LEU 62 -0.284 9.486 -1.586 484 2HB LEU 62 2HB LEU 62 -0.617 9.400 0.134 485 HG LEU 62 HG LEU 62 -2.612 9.094 -2.117 486 1HD1 LEU 62 1HD1 LEU 62 -1.806 7.186 0.093 487 2HD1 LEU 62 2HD1 LEU 62 -3.087 6.930 -1.113 488 3HD1 LEU 62 3HD1 LEU 62 -1.389 7.033 -1.631 489 1HD2 LEU 62 1HD2 LEU 62 -2.989 9.370 0.849 490 2HD2 LEU 62 2HD2 LEU 62 -3.806 10.287 -0.446 491 3HD2 LEU 62 3HD2 LEU 62 -4.197 8.591 -0.169 492 H ASP 63 H ASP 63 0.302 11.842 -2.676 493 HA ASP 63 HA ASP 63 2.189 13.365 -0.966 494 1HB ASP 63 1HB ASP 63 3.206 11.319 -1.664 495 2HB ASP 63 2HB ASP 63 2.771 11.606 -3.357 496 HA PRO 64 HA PRO 64 0.459 16.377 -3.981 497 1HB PRO 64 1HB PRO 64 1.303 18.633 -2.640 498 2HB PRO 64 2HB PRO 64 -0.219 17.764 -2.249 499 1HG PRO 64 1HG PRO 64 2.471 17.638 -0.879 500 2HG PRO 64 2HG PRO 64 0.849 17.657 -0.131 501 1HD PRO 64 1HD PRO 64 2.321 15.382 -0.490 502 2HD PRO 64 2HD PRO 64 0.532 15.378 -0.567 503 H GLU 65 H GLU 65 3.665 16.104 -2.610 504 HA GLU 65 HA GLU 65 5.023 17.910 -4.457 505 1HB GLU 65 1HB GLU 65 6.136 15.891 -2.471 506 2HB GLU 65 2HB GLU 65 7.033 17.143 -3.334 507 1HG GLU 65 1HG GLU 65 5.567 18.879 -2.253 508 2HG GLU 65 2HG GLU 65 4.772 17.594 -1.333 509 H GLY 66 H GLY 66 3.800 14.779 -4.594 510 1HA GLY 66 1HA GLY 66 4.296 14.427 -7.297 511 2HA GLY 66 2HA GLY 66 3.850 13.122 -6.187 512 H ASN 67 H ASN 67 6.099 13.001 -4.579 513 HA ASN 67 HA ASN 67 8.410 12.318 -6.349 514 1HB ASN 67 1HB ASN 67 7.840 12.120 -3.330 515 2HB ASN 67 2HB ASN 67 9.201 11.321 -4.045 516 1HD2 ASN 67 1HD2 ASN 67 7.979 14.630 -4.840 517 2HD2 ASN 67 2HD2 ASN 67 9.342 15.451 -4.112 518 H LEU 68 H LEU 68 5.742 11.006 -4.349 519 HA LEU 68 HA LEU 68 6.382 8.273 -5.092 520 1HB LEU 68 1HB LEU 68 5.198 8.837 -2.990 521 2HB LEU 68 2HB LEU 68 3.819 9.416 -3.920 522 HG LEU 68 HG LEU 68 3.332 7.231 -4.778 523 1HD1 LEU 68 1HD1 LEU 68 5.969 6.296 -3.570 524 2HD1 LEU 68 2HD1 LEU 68 4.686 5.197 -4.103 525 3HD1 LEU 68 3HD1 LEU 68 5.475 6.231 -5.278 526 1HD2 LEU 68 1HD2 LEU 68 2.573 7.669 -2.484 527 2HD2 LEU 68 2HD2 LEU 68 2.964 5.945 -2.724 528 3HD2 LEU 68 3HD2 LEU 68 4.093 6.997 -1.846 529 H HIS 69 H HIS 69 6.415 7.906 -7.220 530 HA HIS 69 HA HIS 69 3.938 8.410 -8.783 531 1HB HIS 69 1HB HIS 69 6.768 8.089 -9.716 532 2HB HIS 69 2HB HIS 69 5.464 8.138 -10.812 533 HD1 HIS 69 HD1 HIS 69 3.999 10.858 -9.738 534 HD2 HIS 69 HD2 HIS 69 8.144 10.227 -10.184 535 HE1 HIS 69 HE1 HIS 69 5.068 13.131 -10.186 536 H HIS 70 H HIS 70 3.617 6.739 -10.302 537 HA HIS 70 HA HIS 70 3.709 4.071 -9.106 538 1HB HIS 70 1HB HIS 70 1.730 4.914 -10.317 539 2HB HIS 70 2HB HIS 70 2.668 4.990 -11.806 540 HD1 HIS 70 HD1 HIS 70 3.469 2.491 -12.817 541 HD2 HIS 70 HD2 HIS 70 0.647 2.630 -9.680 542 HE1 HIS 70 HE1 HIS 70 2.386 0.201 -12.720 543 H GLY 71 H GLY 71 5.097 2.448 -9.645 544 1HA GLY 71 1HA GLY 71 6.716 2.137 -11.882 545 2HA GLY 71 2HA GLY 71 6.994 1.429 -10.289 546 H ASN 72 H ASN 72 7.244 4.349 -9.133 547 HA ASN 72 HA ASN 72 10.105 4.532 -9.721 548 1HB ASN 72 1HB ASN 72 8.841 5.972 -11.507 549 2HB ASN 72 2HB ASN 72 8.389 6.976 -10.172 550 1HD2 ASN 72 1HD2 ASN 72 9.637 8.641 -11.429 551 2HD2 ASN 72 2HD2 ASN 72 11.326 8.800 -10.913 552 H ALA 73 H ALA 73 9.285 3.717 -7.310 553 HA ALA 73 HA ALA 73 8.552 6.007 -5.633 554 1HB ALA 73 1HB ALA 73 7.482 3.753 -5.415 555 2HB ALA 73 2HB ALA 73 8.197 4.361 -3.913 556 3HB ALA 73 3HB ALA 73 9.053 3.127 -4.841 557 H MET 74 H MET 74 11.667 5.367 -6.744 558 HA MET 74 HA MET 74 12.869 4.371 -4.318 559 1HB MET 74 1HB MET 74 13.922 5.265 -7.028 560 2HB MET 74 2HB MET 74 15.006 4.968 -5.685 561 1HG MET 74 1HG MET 74 13.903 2.695 -5.406 562 2HG MET 74 2HG MET 74 13.151 2.960 -6.971 563 1HE MET 74 1HE MET 74 14.185 0.720 -7.850 564 2HE MET 74 2HE MET 74 15.904 0.292 -7.751 565 3HE MET 74 3HE MET 74 14.936 0.430 -6.267 566 H GLU 75 H GLU 75 12.523 7.532 -5.851 567 HA GLU 75 HA GLU 75 14.255 8.900 -3.936 568 1HB GLU 75 1HB GLU 75 12.143 9.828 -5.910 569 2HB GLU 75 2HB GLU 75 12.700 10.898 -4.641 570 1HG GLU 75 1HG GLU 75 15.120 10.268 -5.429 571 2HG GLU 75 2HG GLU 75 14.317 9.747 -6.912 572 H PHE 76 H PHE 76 10.713 8.268 -4.003 573 HA PHE 76 HA PHE 76 10.110 9.640 -1.548 574 1HB PHE 76 1HB PHE 76 8.338 9.155 -3.062 575 2HB PHE 76 2HB PHE 76 8.835 7.503 -3.300 576 HD1 PHE 76 HD1 PHE 76 8.012 5.729 -1.965 577 HD2 PHE 76 HD2 PHE 76 7.355 9.813 -0.822 578 HE1 PHE 76 HE1 PHE 76 6.395 4.963 -0.206 579 HE2 PHE 76 HE2 PHE 76 5.812 9.050 0.997 580 HZ PHE 76 HZ PHE 76 5.324 6.620 1.276 581 H ALA 77 H ALA 77 11.116 6.270 -2.272 582 HA ALA 77 HA ALA 77 10.983 5.270 0.353 583 1HB ALA 77 1HB ALA 77 11.243 3.997 -1.836 584 2HB ALA 77 2HB ALA 77 12.262 3.432 -0.535 585 3HB ALA 77 3HB ALA 77 12.966 4.445 -1.810 586 H LYS 78 H LYS 78 13.768 6.895 -1.327 587 HA LYS 78 HA LYS 78 15.581 6.776 0.808 588 1HB LYS 78 1HB LYS 78 15.170 8.592 -1.545 589 2HB LYS 78 2HB LYS 78 16.193 9.199 -0.247 590 1HG LYS 78 1HG LYS 78 17.645 7.283 -0.362 591 2HG LYS 78 2HG LYS 78 16.558 6.467 -1.480 592 1HD LYS 78 1HD LYS 78 16.945 8.161 -3.201 593 2HD LYS 78 2HD LYS 78 18.043 9.055 -2.128 594 1HE LYS 78 1HE LYS 78 18.473 6.105 -2.760 595 2HE LYS 78 2HE LYS 78 19.021 7.350 -3.886 596 1HZ LYS 78 1HZ LYS 78 19.872 7.305 -1.058 597 2HZ LYS 78 2HZ LYS 78 20.693 6.599 -2.276 598 3HZ LYS 78 3HZ LYS 78 20.457 8.237 -2.286 599 H LYS 79 H LYS 79 12.790 8.954 0.475 600 HA LYS 79 HA LYS 79 13.628 10.685 2.554 601 1HB LYS 79 1HB LYS 79 10.775 10.073 1.758 602 2HB LYS 79 2HB LYS 79 11.331 11.493 2.676 603 1HG LYS 79 1HG LYS 79 12.997 11.878 0.690 604 2HG LYS 79 2HG LYS 79 11.908 10.861 -0.225 605 1HD LYS 79 1HD LYS 79 11.226 13.501 1.130 606 2HD LYS 79 2HD LYS 79 11.612 13.271 -0.564 607 1HE LYS 79 1HE LYS 79 9.448 13.172 -0.928 608 2HE LYS 79 2HE LYS 79 9.535 11.507 -0.361 609 1HZ LYS 79 1HZ LYS 79 9.073 13.680 1.578 610 2HZ LYS 79 2HZ LYS 79 7.852 13.208 0.591 611 3HZ LYS 79 3HZ LYS 79 8.507 12.131 1.629 612 H HIS 80 H HIS 80 12.320 7.460 2.838 613 HA HIS 80 HA HIS 80 12.054 7.960 5.779 614 1HB HIS 80 1HB HIS 80 10.954 5.744 4.133 615 2HB HIS 80 2HB HIS 80 10.731 5.960 5.875 616 HD1 HIS 80 HD1 HIS 80 8.629 6.307 3.127 617 HD2 HIS 80 HD2 HIS 80 10.176 9.275 5.615 618 HE1 HIS 80 HE1 HIS 80 7.029 8.227 3.009 619 H GLY 81 H GLY 81 14.300 6.965 3.614 620 1HA GLY 81 1HA GLY 81 15.856 5.588 5.770 621 2HA GLY 81 2HA GLY 81 16.470 6.599 4.451 622 H ALA 82 H ALA 82 14.385 4.851 2.836 623 HA ALA 82 HA ALA 82 15.958 2.364 2.555 624 1HB ALA 82 1HB ALA 82 14.260 1.938 0.667 625 2HB ALA 82 2HB ALA 82 13.628 2.023 2.324 626 3HB ALA 82 3HB ALA 82 13.440 3.404 1.247 627 H ASP 83 H ASP 83 17.795 2.334 1.399 628 HA ASP 83 HA ASP 83 18.466 4.234 -0.697 629 1HB ASP 83 1HB ASP 83 20.359 2.528 -1.068 630 2HB ASP 83 2HB ASP 83 20.343 3.439 0.407 631 H GLU 84 H GLU 84 19.427 2.829 -2.742 632 HA GLU 84 HA GLU 84 17.125 2.220 -4.310 633 1HB GLU 84 1HB GLU 84 18.778 2.915 -5.712 634 2HB GLU 84 2HB GLU 84 20.046 2.475 -4.569 635 1HG GLU 84 1HG GLU 84 19.892 0.128 -5.259 636 2HG GLU 84 2HG GLU 84 18.701 0.563 -6.491 637 H THR 85 H THR 85 19.557 0.189 -2.541 638 HA THR 85 HA THR 85 18.562 -2.253 -3.693 639 HB THR 85 HB THR 85 20.192 -1.666 -1.192 640 HG1 THR 85 HG1 THR 85 21.882 -2.012 -2.397 641 1HG2 THR 85 1HG2 THR 85 19.357 -4.307 -2.431 642 2HG2 THR 85 2HG2 THR 85 20.843 -4.161 -1.462 643 3HG2 THR 85 3HG2 THR 85 19.266 -3.794 -0.748 644 H MET 86 H MET 86 17.879 -0.488 -0.596 645 HA MET 86 HA MET 86 16.143 -2.492 0.452 646 1HB MET 86 1HB MET 86 16.581 0.520 0.794 647 2HB MET 86 2HB MET 86 15.302 -0.267 1.662 648 1HG MET 86 1HG MET 86 16.947 -1.793 2.737 649 2HG MET 86 2HG MET 86 18.240 -0.982 1.846 650 1HE MET 86 1HE MET 86 19.699 -0.262 3.568 651 2HE MET 86 2HE MET 86 19.331 0.795 4.943 652 3HE MET 86 3HE MET 86 18.850 -0.911 4.997 653 H ALA 87 H ALA 87 15.481 0.278 -1.760 654 HA ALA 87 HA ALA 87 12.618 -0.339 -1.805 655 1HB ALA 87 1HB ALA 87 14.399 1.132 -3.816 656 2HB ALA 87 2HB ALA 87 12.617 1.107 -3.814 657 3HB ALA 87 3HB ALA 87 13.486 1.887 -2.483 658 H GLN 88 H GLN 88 15.336 -1.073 -4.050 659 HA GLN 88 HA GLN 88 13.839 -2.452 -5.888 660 1HB GLN 88 1HB GLN 88 16.248 -1.720 -6.135 661 2HB GLN 88 2HB GLN 88 16.723 -3.055 -5.090 662 1HG GLN 88 1HG GLN 88 17.167 -3.680 -7.336 663 2HG GLN 88 2HG GLN 88 15.798 -4.654 -6.833 664 1HE2 GLN 88 1HE2 GLN 88 13.556 -3.647 -7.481 665 2HE2 GLN 88 2HE2 GLN 88 13.544 -2.586 -8.880 666 H GLN 89 H GLN 89 15.192 -3.683 -2.881 667 HA GLN 89 HA GLN 89 14.759 -6.457 -3.100 668 1HB GLN 89 1HB GLN 89 14.773 -4.384 -0.888 669 2HB GLN 89 2HB GLN 89 14.307 -5.995 -0.468 670 1HG GLN 89 1HG GLN 89 16.872 -5.421 -1.984 671 2HG GLN 89 2HG GLN 89 16.773 -5.345 -0.236 672 1HE2 GLN 89 1HE2 GLN 89 18.581 -7.011 -0.780 673 2HE2 GLN 89 2HE2 GLN 89 18.042 -8.668 -0.674 674 H LEU 90 H LEU 90 12.491 -3.807 -2.175 675 HA LEU 90 HA LEU 90 10.373 -5.725 -1.563 676 1HB LEU 90 1HB LEU 90 10.415 -2.691 -1.802 677 2HB LEU 90 2HB LEU 90 9.075 -3.621 -1.169 678 HG LEU 90 HG LEU 90 11.877 -3.554 0.053 679 1HD1 LEU 90 1HD1 LEU 90 10.772 -1.351 0.101 680 2HD1 LEU 90 2HD1 LEU 90 9.403 -2.047 0.977 681 3HD1 LEU 90 3HD1 LEU 90 11.041 -2.027 1.698 682 1HD2 LEU 90 1HD2 LEU 90 10.383 -5.590 0.605 683 2HD2 LEU 90 2HD2 LEU 90 11.101 -4.723 1.932 684 3HD2 LEU 90 3HD2 LEU 90 9.406 -4.441 1.557 685 H ILE 91 H ILE 91 11.172 -3.413 -4.166 686 HA ILE 91 HA ILE 91 8.885 -3.773 -5.763 687 HB ILE 91 HB ILE 91 11.782 -3.098 -6.264 688 1HG1 ILE 91 1HG1 ILE 91 9.537 -1.237 -6.946 689 2HG1 ILE 91 2HG1 ILE 91 9.775 -1.570 -5.232 690 1HG2 ILE 91 1HG2 ILE 91 9.664 -3.247 -8.417 691 2HG2 ILE 91 2HG2 ILE 91 11.186 -2.369 -8.586 692 3HG2 ILE 91 3HG2 ILE 91 11.195 -4.137 -8.365 693 1HD1 ILE 91 1HD1 ILE 91 12.019 -0.612 -7.041 694 2HD1 ILE 91 2HD1 ILE 91 10.958 0.456 -6.089 695 3HD1 ILE 91 3HD1 ILE 91 11.969 -0.722 -5.260 696 H ASP 92 H ASP 92 11.930 -5.721 -5.718 697 HA ASP 92 HA ASP 92 11.126 -7.477 -7.812 698 1HB ASP 92 1HB ASP 92 13.390 -7.324 -6.392 699 2HB ASP 92 2HB ASP 92 12.684 -8.577 -5.443 700 H ILE 93 H ILE 93 10.818 -7.722 -4.339 701 HA ILE 93 HA ILE 93 9.315 -10.105 -4.198 702 HB ILE 93 HB ILE 93 9.479 -7.714 -2.330 703 1HG1 ILE 93 1HG1 ILE 93 10.572 -10.581 -2.416 704 2HG1 ILE 93 2HG1 ILE 93 11.500 -9.187 -2.837 705 1HG2 ILE 93 1HG2 ILE 93 8.053 -10.315 -1.821 706 2HG2 ILE 93 2HG2 ILE 93 8.457 -9.089 -0.582 707 3HG2 ILE 93 3HG2 ILE 93 7.331 -8.700 -1.864 708 1HD1 ILE 93 1HD1 ILE 93 10.493 -9.795 -0.049 709 2HD1 ILE 93 2HD1 ILE 93 12.137 -9.991 -0.625 710 3HD1 ILE 93 3HD1 ILE 93 11.449 -8.358 -0.532 711 H VAL 94 H VAL 94 7.975 -6.787 -4.629 712 HA VAL 94 HA VAL 94 5.243 -7.540 -4.497 713 HB VAL 94 HB VAL 94 6.662 -5.416 -6.153 714 1HG1 VAL 94 1HG1 VAL 94 3.685 -6.086 -6.186 715 2HG1 VAL 94 2HG1 VAL 94 4.273 -4.430 -6.429 716 3HG1 VAL 94 3HG1 VAL 94 4.787 -5.685 -7.529 717 1HG2 VAL 94 1HG2 VAL 94 6.525 -5.111 -3.702 718 2HG2 VAL 94 2HG2 VAL 94 5.605 -3.911 -4.601 719 3HG2 VAL 94 3HG2 VAL 94 4.756 -5.247 -3.761 720 H HIS 95 H HIS 95 7.381 -7.569 -7.400 721 HA HIS 95 HA HIS 95 5.375 -8.836 -9.055 722 1HB HIS 95 1HB HIS 95 8.398 -8.732 -9.357 723 2HB HIS 95 2HB HIS 95 7.226 -9.005 -10.643 724 HD1 HIS 95 HD1 HIS 95 9.454 -6.542 -10.192 725 HD2 HIS 95 HD2 HIS 95 5.315 -6.375 -9.487 726 HE1 HIS 95 HE1 HIS 95 8.786 -4.116 -10.326 727 H GLY 96 H GLY 96 8.039 -9.928 -7.067 728 1HA GLY 96 1HA GLY 96 8.719 -11.911 -6.197 729 2HA GLY 96 2HA GLY 96 8.201 -12.704 -7.686 730 H CYS 97 H CYS 97 5.861 -10.866 -5.949 731 HA CYS 97 HA CYS 97 4.743 -13.228 -4.619 732 1HB CYS 97 1HB CYS 97 4.464 -10.248 -4.233 733 2HB CYS 97 2HB CYS 97 3.155 -11.308 -3.733 734 H GLU 98 H GLU 98 3.953 -10.753 -7.119 735 HA GLU 98 HA GLU 98 1.445 -11.710 -7.832 736 1HB GLU 98 1HB GLU 98 3.667 -10.893 -9.691 737 2HB GLU 98 2HB GLU 98 2.003 -11.183 -10.127 738 1HG GLU 98 1HG GLU 98 1.321 -9.293 -8.651 739 2HG GLU 98 2HG GLU 98 2.978 -9.107 -8.183 740 H LYS 99 H LYS 99 4.761 -12.902 -8.559 741 HA LYS 99 HA LYS 99 4.108 -14.947 -10.403 742 1HB LYS 99 1HB LYS 99 6.433 -14.470 -8.539 743 2HB LYS 99 2HB LYS 99 6.356 -15.957 -9.497 744 1HG LYS 99 1HG LYS 99 6.648 -14.898 -11.512 745 2HG LYS 99 2HG LYS 99 5.824 -13.429 -11.013 746 1HD LYS 99 1HD LYS 99 8.157 -12.984 -11.443 747 2HD LYS 99 2HD LYS 99 7.737 -12.700 -9.756 748 1HE LYS 99 1HE LYS 99 8.680 -14.958 -9.176 749 2HE LYS 99 2HE LYS 99 9.151 -15.152 -10.869 750 1HZ LYS 99 1HZ LYS 99 10.616 -13.181 -10.573 751 2HZ LYS 99 2HZ LYS 99 10.238 -13.120 -8.974 752 3HZ LYS 99 3HZ LYS 99 11.001 -14.420 -9.591 753 H SER 100 H SER 100 4.143 -15.084 -6.814 754 HA SER 100 HA SER 100 3.344 -17.904 -6.839 755 1HB SER 100 1HB SER 100 3.175 -17.472 -4.345 756 2HB SER 100 2HB SER 100 4.766 -17.427 -5.104 757 HG SER 100 HG SER 100 3.276 -15.060 -4.687 758 H THR 101 H THR 101 1.600 -14.978 -7.331 759 HA THR 101 HA THR 101 -0.759 -15.938 -5.833 760 HB THR 101 HB THR 101 -0.300 -13.215 -7.093 761 HG1 THR 101 HG1 THR 101 1.097 -13.532 -5.387 762 1HG2 THR 101 1HG2 THR 101 -2.379 -14.302 -5.139 763 2HG2 THR 101 2HG2 THR 101 -2.159 -12.588 -5.574 764 3HG2 THR 101 3HG2 THR 101 -2.660 -13.752 -6.799 765 HA PRO 102 HA PRO 102 -1.795 -17.422 -9.953 766 1HB PRO 102 1HB PRO 102 -4.093 -18.786 -9.411 767 2HB PRO 102 2HB PRO 102 -2.482 -19.354 -8.866 768 1HG PRO 102 1HG PRO 102 -4.517 -17.787 -7.264 769 2HG PRO 102 2HG PRO 102 -3.625 -19.273 -6.776 770 1HD PRO 102 1HD PRO 102 -2.807 -16.768 -6.061 771 2HD PRO 102 2HD PRO 102 -1.644 -18.065 -6.402 772 H ALA 103 H ALA 103 -3.222 -16.804 -11.628 773 HA ALA 103 HA ALA 103 -4.082 -14.115 -11.397 774 1HB ALA 103 1HB ALA 103 -4.517 -16.111 -13.656 775 2HB ALA 103 2HB ALA 103 -3.111 -15.044 -13.421 776 3HB ALA 103 3HB ALA 103 -4.704 -14.346 -13.750 777 H ASN 104 H ASN 104 -5.626 -13.983 -9.854 778 HA ASN 104 HA ASN 104 -7.962 -15.569 -9.759 779 1HB ASN 104 1HB ASN 104 -6.712 -14.227 -7.899 780 2HB ASN 104 2HB ASN 104 -7.749 -12.919 -8.295 781 1HD2 ASN 104 1HD2 ASN 104 -7.382 -15.504 -6.320 782 2HD2 ASN 104 2HD2 ASN 104 -9.048 -15.670 -5.832 783 H ASP 105 H ASP 105 -9.987 -15.304 -10.418 784 HA ASP 105 HA ASP 105 -10.908 -13.553 -12.344 785 1HB ASP 105 1HB ASP 105 -11.753 -15.761 -11.809 786 2HB ASP 105 2HB ASP 105 -12.223 -15.231 -10.211 787 H ASP 106 H ASP 106 -10.455 -13.003 -8.926 788 HA ASP 106 HA ASP 106 -12.031 -10.452 -9.141 789 1HB ASP 106 1HB ASP 106 -12.407 -12.240 -7.113 790 2HB ASP 106 2HB ASP 106 -11.002 -11.466 -6.559 791 H LYS 107 H LYS 107 -10.515 -8.899 -9.864 792 HA LYS 107 HA LYS 107 -7.765 -9.105 -9.480 793 1HB LYS 107 1HB LYS 107 -9.471 -7.442 -10.911 794 2HB LYS 107 2HB LYS 107 -8.961 -6.343 -9.649 795 1HG LYS 107 1HG LYS 107 -7.334 -6.071 -11.322 796 2HG LYS 107 2HG LYS 107 -6.543 -7.126 -10.137 797 1HD LYS 107 1HD LYS 107 -6.212 -8.578 -11.875 798 2HD LYS 107 2HD LYS 107 -7.882 -8.969 -11.737 799 1HE LYS 107 1HE LYS 107 -7.794 -8.421 -13.968 800 2HE LYS 107 2HE LYS 107 -8.369 -6.918 -13.211 801 1HZ LYS 107 1HZ LYS 107 -5.536 -7.457 -13.916 802 2HZ LYS 107 2HZ LYS 107 -6.603 -6.660 -14.894 803 3HZ LYS 107 3HZ LYS 107 -6.178 -6.003 -13.445 804 H CYS 108 H CYS 108 -10.293 -7.922 -7.327 805 HA CYS 108 HA CYS 108 -8.497 -6.554 -5.517 806 1HB CYS 108 1HB CYS 108 -11.164 -7.887 -4.930 807 2HB CYS 108 2HB CYS 108 -10.259 -6.786 -3.921 808 H ILE 109 H ILE 109 -9.801 -9.953 -5.643 809 HA ILE 109 HA ILE 109 -8.461 -10.727 -3.230 810 HB ILE 109 HB ILE 109 -9.707 -12.434 -5.456 811 1HG1 ILE 109 1HG1 ILE 109 -10.656 -11.465 -2.717 812 2HG1 ILE 109 2HG1 ILE 109 -11.276 -10.907 -4.246 813 1HG2 ILE 109 1HG2 ILE 109 -8.687 -13.229 -2.693 814 2HG2 ILE 109 2HG2 ILE 109 -9.617 -14.264 -3.806 815 3HG2 ILE 109 3HG2 ILE 109 -8.021 -13.701 -4.270 816 1HD1 ILE 109 1HD1 ILE 109 -11.964 -13.326 -4.751 817 2HD1 ILE 109 2HD1 ILE 109 -11.747 -13.571 -2.988 818 3HD1 ILE 109 3HD1 ILE 109 -12.890 -12.351 -3.595 819 H TRP 110 H TRP 110 -7.581 -10.992 -6.668 820 HA TRP 110 HA TRP 110 -5.017 -12.176 -6.383 821 1HB TRP 110 1HB TRP 110 -6.035 -11.653 -8.576 822 2HB TRP 110 2HB TRP 110 -5.863 -9.949 -8.269 823 HD1 TRP 110 HD1 TRP 110 -3.792 -13.101 -8.844 824 HE1 TRP 110 HE1 TRP 110 -1.455 -12.519 -9.707 825 HE3 TRP 110 HE3 TRP 110 -4.108 -7.991 -8.569 826 HZ2 TRP 110 HZ2 TRP 110 0.056 -10.118 -10.294 827 HZ3 TRP 110 HZ3 TRP 110 -2.197 -6.583 -9.282 828 HH2 TRP 110 HH2 TRP 110 -0.143 -7.623 -10.189 829 H THR 111 H THR 111 -5.701 -8.633 -6.434 830 HA THR 111 HA THR 111 -3.250 -7.670 -5.686 831 HB THR 111 HB THR 111 -6.063 -6.652 -5.139 832 HG1 THR 111 HG1 THR 111 -5.878 -6.771 -7.222 833 1HG2 THR 111 1HG2 THR 111 -3.515 -5.289 -4.539 834 2HG2 THR 111 2HG2 THR 111 -4.609 -4.376 -5.608 835 3HG2 THR 111 3HG2 THR 111 -5.172 -4.922 -4.027 836 H LEU 112 H LEU 112 -5.838 -8.872 -3.402 837 HA LEU 112 HA LEU 112 -4.464 -8.043 -1.053 838 1HB LEU 112 1HB LEU 112 -6.883 -8.371 -1.358 839 2HB LEU 112 2HB LEU 112 -6.665 -10.075 -1.592 840 HG LEU 112 HG LEU 112 -7.510 -9.220 0.637 841 1HD1 LEU 112 1HD1 LEU 112 -6.660 -11.463 0.152 842 2HD1 LEU 112 2HD1 LEU 112 -5.077 -10.999 0.785 843 3HD1 LEU 112 3HD1 LEU 112 -6.488 -10.979 1.865 844 1HD2 LEU 112 1HD2 LEU 112 -5.914 -7.347 0.966 845 2HD2 LEU 112 2HD2 LEU 112 -5.973 -8.469 2.345 846 3HD2 LEU 112 3HD2 LEU 112 -4.613 -8.530 1.217 847 H GLY 113 H GLY 113 -4.550 -11.053 -2.980 848 1HA GLY 113 1HA GLY 113 -3.059 -12.761 -3.152 849 2HA GLY 113 2HA GLY 113 -2.982 -12.782 -1.377 850 H VAL 114 H VAL 114 -1.906 -10.594 -4.060 851 HA VAL 114 HA VAL 114 0.840 -10.915 -3.745 852 HB VAL 114 HB VAL 114 -0.588 -8.376 -4.640 853 1HG1 VAL 114 1HG1 VAL 114 2.223 -9.429 -5.262 854 2HG1 VAL 114 2HG1 VAL 114 1.476 -7.984 -5.960 855 3HG1 VAL 114 3HG1 VAL 114 1.851 -8.028 -4.239 856 1HG2 VAL 114 1HG2 VAL 114 0.303 -10.835 -6.215 857 2HG2 VAL 114 2HG2 VAL 114 -1.364 -10.283 -5.992 858 3HG2 VAL 114 3HG2 VAL 114 -0.261 -9.306 -6.932 859 H ALA 115 H ALA 115 -1.258 -8.374 -2.189 860 HA ALA 115 HA ALA 115 0.902 -7.205 -0.752 861 1HB ALA 115 1HB ALA 115 -1.214 -6.043 -1.226 862 2HB ALA 115 2HB ALA 115 -0.849 -6.017 0.503 863 3HB ALA 115 3HB ALA 115 -2.073 -7.140 -0.120 864 H THR 116 H THR 116 -1.171 -9.951 0.136 865 HA THR 116 HA THR 116 -0.355 -10.002 2.927 866 HB THR 116 HB THR 116 -1.381 -12.310 1.201 867 HG1 THR 116 HG1 THR 116 -2.830 -10.606 1.122 868 1HG2 THR 116 1HG2 THR 116 -0.473 -12.966 3.437 869 2HG2 THR 116 2HG2 THR 116 -1.557 -11.795 4.213 870 3HG2 THR 116 3HG2 THR 116 -2.227 -13.194 3.337 871 H CYS 117 H CYS 117 0.638 -11.696 -0.080 872 HA CYS 117 HA CYS 117 2.766 -13.225 0.938 873 1HB CYS 117 1HB CYS 117 1.848 -13.578 -1.257 874 2HB CYS 117 2HB CYS 117 2.251 -11.955 -1.768 875 H PHE 118 H PHE 118 2.825 -9.809 -0.400 876 HA PHE 118 HA PHE 118 5.495 -9.408 -0.167 877 1HB PHE 118 1HB PHE 118 3.906 -7.906 -1.245 878 2HB PHE 118 2HB PHE 118 3.187 -7.475 0.306 879 HD1 PHE 118 HD1 PHE 118 6.769 -7.775 0.447 880 HD2 PHE 118 HD2 PHE 118 3.635 -5.084 -0.685 881 HE1 PHE 118 HE1 PHE 118 8.290 -5.946 0.656 882 HE2 PHE 118 HE2 PHE 118 5.186 -3.170 -0.389 883 HZ PHE 118 HZ PHE 118 7.497 -3.553 0.321 884 H LYS 119 H LYS 119 3.250 -8.412 2.306 885 HA LYS 119 HA LYS 119 4.831 -7.762 4.481 886 1HB LYS 119 1HB LYS 119 2.181 -8.092 4.068 887 2HB LYS 119 2HB LYS 119 2.398 -9.489 5.020 888 1HG LYS 119 1HG LYS 119 3.490 -6.825 6.051 889 2HG LYS 119 2HG LYS 119 1.778 -7.135 6.089 890 1HD LYS 119 1HD LYS 119 2.050 -7.999 8.083 891 2HD LYS 119 2HD LYS 119 2.689 -9.436 7.297 892 1HE LYS 119 1HE LYS 119 4.998 -8.526 7.560 893 2HE LYS 119 2HE LYS 119 4.329 -7.061 8.296 894 1HZ LYS 119 1HZ LYS 119 4.102 -9.786 9.420 895 2HZ LYS 119 2HZ LYS 119 5.128 -8.645 9.950 896 3HZ LYS 119 3HZ LYS 119 3.526 -8.418 10.156 897 H ALA 120 H ALA 120 3.719 -10.986 3.662 898 HA ALA 120 HA ALA 120 5.140 -12.406 5.733 899 1HB ALA 120 1HB ALA 120 4.783 -14.422 4.488 900 2HB ALA 120 2HB ALA 120 3.343 -13.412 4.258 901 3HB ALA 120 3HB ALA 120 4.558 -13.549 2.968 902 H GLU 121 H GLU 121 6.190 -11.644 2.367 903 HA GLU 121 HA GLU 121 8.743 -12.847 2.562 904 1HB GLU 121 1HB GLU 121 7.731 -10.573 0.835 905 2HB GLU 121 2HB GLU 121 9.301 -11.318 0.648 906 1HG GLU 121 1HG GLU 121 6.714 -12.913 0.434 907 2HG GLU 121 2HG GLU 121 7.560 -12.190 -0.928 908 H ILE 122 H ILE 122 7.893 -9.338 3.181 909 HA ILE 122 HA ILE 122 10.309 -8.491 4.055 910 HB ILE 122 HB ILE 122 7.597 -7.924 5.249 911 1HG1 ILE 122 1HG1 ILE 122 9.245 -6.361 3.319 912 2HG1 ILE 122 2HG1 ILE 122 7.800 -7.287 2.966 913 1HG2 ILE 122 1HG2 ILE 122 10.200 -6.475 5.835 914 2HG2 ILE 122 2HG2 ILE 122 8.579 -5.943 6.372 915 3HG2 ILE 122 3HG2 ILE 122 9.260 -7.420 7.001 916 1HD1 ILE 122 1HD1 ILE 122 6.486 -5.832 4.512 917 2HD1 ILE 122 2HD1 ILE 122 7.899 -4.760 4.637 918 3HD1 ILE 122 3HD1 ILE 122 7.124 -5.010 3.075 919 H HIS 123 H HIS 123 8.407 -10.981 5.775 920 HA HIS 123 HA HIS 123 10.044 -10.769 8.139 921 1HB HIS 123 1HB HIS 123 7.607 -11.824 7.703 922 2HB HIS 123 2HB HIS 123 8.546 -13.288 7.472 923 HD1 HIS 123 HD1 HIS 123 7.126 -14.096 9.683 924 HD2 HIS 123 HD2 HIS 123 10.047 -11.099 10.227 925 HE1 HIS 123 HE1 HIS 123 7.641 -14.011 12.199 926 H LYS 124 H LYS 124 10.590 -12.260 5.027 927 HA LYS 124 HA LYS 124 12.770 -13.984 5.995 928 1HB LYS 124 1HB LYS 124 12.055 -12.984 3.186 929 2HB LYS 124 2HB LYS 124 13.499 -13.891 3.576 930 1HG LYS 124 1HG LYS 124 12.346 -15.701 3.084 931 2HG LYS 124 2HG LYS 124 11.654 -15.535 4.702 932 1HD LYS 124 1HD LYS 124 9.687 -14.461 3.840 933 2HD LYS 124 2HD LYS 124 10.385 -14.325 2.212 934 1HE LYS 124 1HE LYS 124 10.024 -17.014 3.564 935 2HE LYS 124 2HE LYS 124 8.682 -16.246 2.702 936 1HZ LYS 124 1HZ LYS 124 11.272 -16.734 1.371 937 2HZ LYS 124 2HZ LYS 124 10.120 -17.859 1.439 938 3HZ LYS 124 3HZ LYS 124 9.813 -16.418 0.684 939 H LEU 125 H LEU 125 12.343 -10.571 4.902 940 HA LEU 125 HA LEU 125 15.071 -10.175 4.268 941 1HB LEU 125 1HB LEU 125 12.905 -8.253 5.118 942 2HB LEU 125 2HB LEU 125 14.503 -7.674 4.895 943 HG LEU 125 HG LEU 125 13.052 -9.127 2.649 944 1HD1 LEU 125 1HD1 LEU 125 13.247 -6.132 3.218 945 2HD1 LEU 125 2HD1 LEU 125 12.629 -6.865 1.720 946 3HD1 LEU 125 3HD1 LEU 125 11.780 -7.107 3.247 947 1HD2 LEU 125 1HD2 LEU 125 15.607 -7.503 2.939 948 2HD2 LEU 125 2HD2 LEU 125 15.412 -9.112 2.232 949 3HD2 LEU 125 3HD2 LEU 125 14.842 -7.690 1.344 950 H ASN 126 H ASN 126 16.550 -8.891 5.291 951 HA ASN 126 HA ASN 126 16.990 -9.564 8.165 952 1HB ASN 126 1HB ASN 126 18.755 -10.051 6.487 953 2HB ASN 126 2HB ASN 126 18.822 -8.324 6.101 954 1HD2 ASN 126 1HD2 ASN 126 20.965 -7.998 6.667 955 2HD2 ASN 126 2HD2 ASN 126 21.483 -8.034 8.361 956 H TRP 127 H TRP 127 15.284 -7.142 6.700 957 HA TRP 127 HA TRP 127 15.862 -5.297 8.897 958 1HB TRP 127 1HB TRP 127 16.052 -3.373 7.443 959 2HB TRP 127 2HB TRP 127 17.323 -4.497 7.089 960 HD1 TRP 127 HD1 TRP 127 16.607 -6.180 4.816 961 HE1 TRP 127 HE1 TRP 127 15.636 -5.410 2.592 962 HE3 TRP 127 HE3 TRP 127 14.850 -1.587 6.250 963 HZ2 TRP 127 HZ2 TRP 127 13.907 -3.297 1.673 964 HZ3 TRP 127 HZ3 TRP 127 13.672 -0.169 4.658 965 HH2 TRP 127 HH2 TRP 127 13.106 -1.041 2.340 966 H ALA 128 H ALA 128 14.187 -3.395 8.569 967 HA ALA 128 HA ALA 128 11.538 -4.637 7.930 968 1HB ALA 128 1HB ALA 128 12.251 -3.073 10.427 969 2HB ALA 128 2HB ALA 128 11.796 -4.796 10.312 970 3HB ALA 128 3HB ALA 128 10.613 -3.535 9.926 971 HA PRO 129 HA PRO 129 11.542 -0.612 5.709 972 1HB PRO 129 1HB PRO 129 9.129 -1.697 4.433 973 2HB PRO 129 2HB PRO 129 10.616 -1.126 3.666 974 1HG PRO 129 1HG PRO 129 9.877 -3.801 3.792 975 2HG PRO 129 2HG PRO 129 11.572 -3.246 3.693 976 1HD PRO 129 1HD PRO 129 10.039 -4.167 6.087 977 2HD PRO 129 2HD PRO 129 11.764 -4.425 5.660 978 H SER 130 H SER 130 10.323 1.149 6.436 979 HA SER 130 HA SER 130 8.322 0.762 8.487 980 1HB SER 130 1HB SER 130 9.009 3.216 6.806 981 2HB SER 130 2HB SER 130 7.985 3.167 8.237 982 HG SER 130 HG SER 130 10.773 3.038 8.095 983 H MET 131 H MET 131 6.082 1.672 8.280 984 HA MET 131 HA MET 131 4.657 0.342 6.251 985 1HB MET 131 1HB MET 131 3.883 2.516 8.228 986 2HB MET 131 2HB MET 131 2.751 1.783 7.120 987 1HG MET 131 1HG MET 131 2.477 0.059 8.526 988 2HG MET 131 2HG MET 131 4.147 -0.403 8.268 989 1HE MET 131 1HE MET 131 2.211 2.482 10.095 990 2HE MET 131 2HE MET 131 1.505 0.974 10.708 991 3HE MET 131 3HE MET 131 2.449 2.011 11.797 992 H ASP 132 H ASP 132 5.279 3.926 6.536 993 HA ASP 132 HA ASP 132 3.877 4.814 4.316 994 1HB ASP 132 1HB ASP 132 6.608 5.638 5.355 995 2HB ASP 132 2HB ASP 132 5.890 6.363 3.940 996 H VAL 133 H VAL 133 6.989 3.053 4.365 997 HA VAL 133 HA VAL 133 7.399 3.301 1.495 998 HB VAL 133 HB VAL 133 8.912 1.713 3.614 999 1HG1 VAL 133 1HG1 VAL 133 9.503 2.376 0.708 1000 2HG1 VAL 133 2HG1 VAL 133 10.789 1.930 1.814 1001 3HG1 VAL 133 3HG1 VAL 133 9.478 0.782 1.472 1002 1HG2 VAL 133 1HG2 VAL 133 8.941 4.233 3.990 1003 2HG2 VAL 133 2HG2 VAL 133 10.511 3.547 3.621 1004 3HG2 VAL 133 3HG2 VAL 133 9.624 4.371 2.354 1005 H ALA 134 H ALA 134 6.928 0.416 3.715 1006 HA ALA 134 HA ALA 134 6.640 -1.394 1.543 1007 1HB ALA 134 1HB ALA 134 7.186 -2.194 3.765 1008 2HB ALA 134 2HB ALA 134 5.618 -1.624 4.399 1009 3HB ALA 134 3HB ALA 134 5.701 -2.949 3.205 1010 H VAL 135 H VAL 135 4.295 0.882 2.742 1011 HA VAL 135 HA VAL 135 2.109 -0.532 1.302 1012 HB VAL 135 HB VAL 135 2.072 1.953 3.080 1013 1HG1 VAL 135 1HG1 VAL 135 0.229 1.886 1.396 1014 2HG1 VAL 135 2HG1 VAL 135 -0.282 0.330 2.066 1015 3HG1 VAL 135 3HG1 VAL 135 -0.314 1.795 3.075 1016 1HG2 VAL 135 1HG2 VAL 135 1.186 -0.926 3.660 1017 2HG2 VAL 135 2HG2 VAL 135 2.550 -0.096 4.424 1018 3HG2 VAL 135 3HG2 VAL 135 0.916 0.460 4.730 1019 H GLY 136 H GLY 136 3.985 2.613 1.298 1020 1HA GLY 136 1HA GLY 136 4.342 4.090 -0.346 1021 2HA GLY 136 2HA GLY 136 2.702 3.794 -0.886 1022 H GLU 137 H GLU 137 5.416 1.424 -0.826 1023 HA GLU 137 HA GLU 137 6.106 1.786 -3.598 1024 1HB GLU 137 1HB GLU 137 6.888 -0.321 -1.535 1025 2HB GLU 137 2HB GLU 137 7.531 -0.222 -3.170 1026 1HG GLU 137 1HG GLU 137 7.948 2.380 -2.339 1027 2HG GLU 137 2HG GLU 137 8.041 1.546 -0.812 1028 H ILE 138 H ILE 138 4.362 -0.893 -1.828 1029 HA ILE 138 HA ILE 138 3.988 -2.332 -4.265 1030 HB ILE 138 HB ILE 138 3.768 -3.449 -2.187 1031 1HG1 ILE 138 1HG1 ILE 138 1.053 -3.585 -3.542 1032 2HG1 ILE 138 2HG1 ILE 138 2.531 -4.240 -4.247 1033 1HG2 ILE 138 1HG2 ILE 138 2.707 -1.642 -0.831 1034 2HG2 ILE 138 2HG2 ILE 138 1.176 -1.917 -1.678 1035 3HG2 ILE 138 3HG2 ILE 138 1.873 -3.177 -0.632 1036 1HD1 ILE 138 1HD1 ILE 138 1.418 -5.163 -1.572 1037 2HD1 ILE 138 2HD1 ILE 138 1.087 -5.946 -3.119 1038 3HD1 ILE 138 3HD1 ILE 138 2.736 -5.909 -2.505 1039 H LEU 139 H LEU 139 2.242 0.408 -2.979 1040 HA LEU 139 HA LEU 139 -0.022 0.204 -4.805 1041 1HB LEU 139 1HB LEU 139 1.217 2.407 -3.143 1042 2HB LEU 139 2HB LEU 139 -0.184 2.640 -4.075 1043 HG LEU 139 HG LEU 139 0.044 0.561 -1.827 1044 1HD1 LEU 139 1HD1 LEU 139 -1.281 3.303 -1.915 1045 2HD1 LEU 139 2HD1 LEU 139 -1.357 2.138 -0.567 1046 3HD1 LEU 139 3HD1 LEU 139 0.188 2.860 -1.013 1047 1HD2 LEU 139 1HD2 LEU 139 -2.275 1.444 -3.510 1048 2HD2 LEU 139 2HD2 LEU 139 -1.583 -0.189 -3.419 1049 3HD2 LEU 139 3HD2 LEU 139 -2.457 0.501 -2.061 1050 H ALA 140 H ALA 140 3.040 1.935 -4.792 1051 HA ALA 140 HA ALA 140 2.712 3.121 -7.404 1052 1HB ALA 140 1HB ALA 140 4.594 3.728 -5.912 1053 2HB ALA 140 2HB ALA 140 5.315 2.119 -6.153 1054 3HB ALA 140 3HB ALA 140 5.161 3.226 -7.510 1055 H GLU 141 H GLU 141 2.792 -0.297 -6.584 1056 HA GLU 141 HA GLU 141 3.830 -0.963 -9.241 1057 1HB GLU 141 1HB GLU 141 4.098 -2.178 -6.503 1058 2HB GLU 141 2HB GLU 141 4.622 -2.943 -8.014 1059 1HG GLU 141 1HG GLU 141 6.034 -1.046 -8.557 1060 2HG GLU 141 2HG GLU 141 5.583 -0.192 -7.084 1061 H VAL 142 H VAL 142 1.132 -1.782 -7.097 1062 HA VAL 142 HA VAL 142 0.526 -4.132 -8.733 1063 HB VAL 142 HB VAL 142 -0.099 -3.142 -5.985 1064 1HG1 VAL 142 1HG1 VAL 142 -1.880 -5.139 -7.378 1065 2HG1 VAL 142 2HG1 VAL 142 -1.682 -4.992 -5.612 1066 3HG1 VAL 142 3HG1 VAL 142 -2.322 -3.615 -6.548 1067 1HG2 VAL 142 1HG2 VAL 142 1.811 -4.625 -6.487 1068 2HG2 VAL 142 2HG2 VAL 142 0.634 -5.443 -5.439 1069 3HG2 VAL 142 3HG2 VAL 142 0.710 -5.837 -7.170 No H/Q in entry = 1069 Start of MODEL 5 1 H SER 1 H SER 1 19.838 5.839 9.307 2 HA SER 1 HA SER 1 19.799 5.648 11.664 3 1HB SER 1 1HB SER 1 21.594 8.067 11.604 4 2HB SER 1 2HB SER 1 21.086 7.187 13.056 5 HG SER 1 HG SER 1 23.258 6.641 11.851 6 H GLN 2 H GLN 2 18.252 7.279 9.546 7 HA GLN 2 HA GLN 2 17.200 9.580 10.839 8 1HB GLN 2 1HB GLN 2 15.984 7.730 8.731 9 2HB GLN 2 2HB GLN 2 15.412 9.351 9.116 10 1HG GLN 2 1HG GLN 2 18.147 8.706 7.931 11 2HG GLN 2 2HG GLN 2 16.745 9.185 7.006 12 1HE2 GLN 2 1HE2 GLN 2 18.224 11.063 6.222 13 2HE2 GLN 2 2HE2 GLN 2 18.243 12.440 7.294 14 H GLU 3 H GLU 3 14.875 9.843 11.468 15 HA GLU 3 HA GLU 3 13.842 7.504 12.939 16 1HB GLU 3 1HB GLU 3 14.259 10.246 14.017 17 2HB GLU 3 2HB GLU 3 13.367 8.972 14.851 18 1HG GLU 3 1HG GLU 3 15.399 7.549 14.870 19 2HG GLU 3 2HG GLU 3 16.319 8.843 14.081 20 H VAL 4 H VAL 4 12.999 8.268 10.472 21 HA VAL 4 HA VAL 4 10.276 9.396 10.956 22 HB VAL 4 HB VAL 4 11.769 9.318 8.304 23 1HG1 VAL 4 1HG1 VAL 4 9.206 10.723 9.146 24 2HG1 VAL 4 2HG1 VAL 4 10.002 10.829 7.563 25 3HG1 VAL 4 3HG1 VAL 4 9.315 9.294 8.088 26 1HG2 VAL 4 1HG2 VAL 4 11.353 11.639 10.234 27 2HG2 VAL 4 2HG2 VAL 4 12.913 10.919 9.779 28 3HG2 VAL 4 3HG2 VAL 4 11.959 11.782 8.572 29 H MET 5 H MET 5 10.309 7.231 11.999 30 HA MET 5 HA MET 5 8.952 5.321 10.214 31 1HB MET 5 1HB MET 5 10.097 3.465 11.054 32 2HB MET 5 2HB MET 5 11.327 4.700 10.764 33 1HG MET 5 1HG MET 5 11.106 5.235 13.303 34 2HG MET 5 2HG MET 5 10.266 3.684 13.397 35 1HE MET 5 1HE MET 5 13.421 5.014 11.448 36 2HE MET 5 2HE MET 5 13.664 5.504 13.125 37 3HE MET 5 3HE MET 5 14.736 4.291 12.394 38 H LYS 6 H LYS 6 7.875 7.465 11.716 39 HA LYS 6 HA LYS 6 6.643 6.569 14.207 40 1HB LYS 6 1HB LYS 6 6.226 8.870 12.244 41 2HB LYS 6 2HB LYS 6 5.298 8.702 13.727 42 1HG LYS 6 1HG LYS 6 8.340 8.789 13.819 43 2HG LYS 6 2HG LYS 6 7.396 10.257 13.670 44 1HD LYS 6 1HD LYS 6 6.147 9.723 15.727 45 2HD LYS 6 2HD LYS 6 7.043 8.199 15.865 46 1HE LYS 6 1HE LYS 6 9.170 9.585 15.996 47 2HE LYS 6 2HE LYS 6 8.145 11.035 16.099 48 1HZ LYS 6 1HZ LYS 6 7.107 9.895 18.090 49 2HZ LYS 6 2HZ LYS 6 8.262 8.756 17.967 50 3HZ LYS 6 3HZ LYS 6 8.687 10.319 18.320 51 H ASN 7 H ASN 7 3.945 7.006 13.916 52 HA ASN 7 HA ASN 7 3.043 4.716 12.535 53 1HB ASN 7 1HB ASN 7 1.008 5.205 13.343 54 2HB ASN 7 2HB ASN 7 1.869 6.243 14.422 55 1HD2 ASN 7 1HD2 ASN 7 2.303 8.452 12.569 56 2HD2 ASN 7 2HD2 ASN 7 0.746 8.989 12.013 57 H LEU 8 H LEU 8 1.183 4.969 10.888 58 HA LEU 8 HA LEU 8 1.888 5.707 8.407 59 1HB LEU 8 1HB LEU 8 -0.080 4.416 9.046 60 2HB LEU 8 2HB LEU 8 -0.836 5.829 9.770 61 HG LEU 8 HG LEU 8 -1.720 5.094 7.599 62 1HD1 LEU 8 1HD1 LEU 8 -1.980 7.417 8.500 63 2HD1 LEU 8 2HD1 LEU 8 -0.776 7.914 7.291 64 3HD1 LEU 8 3HD1 LEU 8 -2.294 7.154 6.779 65 1HD2 LEU 8 1HD2 LEU 8 0.951 5.013 6.680 66 2HD2 LEU 8 2HD2 LEU 8 -0.518 4.707 5.804 67 3HD2 LEU 8 3HD2 LEU 8 0.197 6.351 5.832 68 H SER 9 H SER 9 2.440 7.437 7.347 69 HA SER 9 HA SER 9 1.523 10.134 8.253 70 1HB SER 9 1HB SER 9 4.067 9.270 6.847 71 2HB SER 9 2HB SER 9 3.622 10.938 7.239 72 HG SER 9 HG SER 9 5.057 9.895 8.711 73 H LEU 10 H LEU 10 1.728 7.895 5.498 74 HA LEU 10 HA LEU 10 1.092 9.793 3.495 75 1HB LEU 10 1HB LEU 10 0.375 6.877 3.757 76 2HB LEU 10 2HB LEU 10 -0.046 7.811 2.340 77 HG LEU 10 HG LEU 10 2.710 6.911 3.263 78 1HD1 LEU 10 1HD1 LEU 10 1.068 6.496 0.777 79 2HD1 LEU 10 2HD1 LEU 10 2.793 6.065 0.926 80 3HD1 LEU 10 3HD1 LEU 10 1.609 5.296 1.963 81 1HD2 LEU 10 1HD2 LEU 10 1.978 9.119 1.273 82 2HD2 LEU 10 2HD2 LEU 10 3.102 9.206 2.645 83 3HD2 LEU 10 3HD2 LEU 10 3.535 8.263 1.230 84 H ASN 11 H ASN 11 -0.871 10.569 2.582 85 HA ASN 11 HA ASN 11 -2.834 10.984 4.665 86 1HB ASN 11 1HB ASN 11 -1.855 12.696 3.001 87 2HB ASN 11 2HB ASN 11 -3.132 12.148 1.909 88 1HD2 ASN 11 1HD2 ASN 11 -2.584 14.648 3.800 89 2HD2 ASN 11 2HD2 ASN 11 -4.113 14.837 4.644 90 H PHE 12 H PHE 12 -3.233 8.444 4.415 91 HA PHE 12 HA PHE 12 -4.751 7.566 2.194 92 1HB PHE 12 1HB PHE 12 -4.180 6.419 4.923 93 2HB PHE 12 2HB PHE 12 -5.279 5.655 3.830 94 HD1 PHE 12 HD1 PHE 12 -1.849 5.983 4.650 95 HD2 PHE 12 HD2 PHE 12 -4.512 5.100 1.416 96 HE1 PHE 12 HE1 PHE 12 0.003 4.768 3.459 97 HE2 PHE 12 HE2 PHE 12 -2.654 3.990 0.186 98 HZ PHE 12 HZ PHE 12 -0.404 3.821 1.224 99 H GLY 13 H GLY 13 -5.875 8.869 5.339 100 1HA GLY 13 1HA GLY 13 -8.053 9.405 5.957 101 2HA GLY 13 2HA GLY 13 -8.443 7.786 5.359 102 H LYS 14 H LYS 14 -7.396 10.777 3.734 103 HA LYS 14 HA LYS 14 -9.839 11.383 2.362 104 1HB LYS 14 1HB LYS 14 -6.937 12.167 2.255 105 2HB LYS 14 2HB LYS 14 -7.830 12.434 0.775 106 1HG LYS 14 1HG LYS 14 -9.215 13.401 3.238 107 2HG LYS 14 2HG LYS 14 -7.697 14.207 2.874 108 1HD LYS 14 1HD LYS 14 -9.803 13.789 0.712 109 2HD LYS 14 2HD LYS 14 -9.909 15.160 1.834 110 1HE LYS 14 1HE LYS 14 -7.436 14.585 0.144 111 2HE LYS 14 2HE LYS 14 -8.740 15.642 -0.388 112 1HZ LYS 14 1HZ LYS 14 -7.113 16.136 2.032 113 2HZ LYS 14 2HZ LYS 14 -6.942 16.848 0.566 114 3HZ LYS 14 3HZ LYS 14 -8.279 17.137 1.408 115 H ALA 15 H ALA 15 -6.895 9.664 1.168 116 HA ALA 15 HA ALA 15 -7.899 9.240 -1.471 117 1HB ALA 15 1HB ALA 15 -5.986 7.495 0.130 118 2HB ALA 15 2HB ALA 15 -6.098 7.654 -1.640 119 3HB ALA 15 3HB ALA 15 -5.523 9.011 -0.650 120 H LEU 16 H LEU 16 -8.187 7.239 1.487 121 HA LEU 16 HA LEU 16 -9.564 4.980 0.339 122 1HB LEU 16 1HB LEU 16 -9.483 6.200 3.146 123 2HB LEU 16 2HB LEU 16 -10.421 4.775 2.749 124 HG LEU 16 HG LEU 16 -7.393 4.979 2.626 125 1HD1 LEU 16 1HD1 LEU 16 -8.472 4.872 4.905 126 2HD1 LEU 16 2HD1 LEU 16 -9.244 3.335 4.404 127 3HD1 LEU 16 3HD1 LEU 16 -7.489 3.454 4.525 128 1HD2 LEU 16 1HD2 LEU 16 -9.253 2.651 1.991 129 2HD2 LEU 16 2HD2 LEU 16 -8.093 3.414 0.904 130 3HD2 LEU 16 3HD2 LEU 16 -7.530 2.509 2.333 131 H ASP 17 H ASP 17 -10.632 8.141 1.766 132 HA ASP 17 HA ASP 17 -13.391 7.543 1.457 133 1HB ASP 17 1HB ASP 17 -12.241 9.429 2.867 134 2HB ASP 17 2HB ASP 17 -12.241 10.319 1.361 135 H GLU 18 H GLU 18 -11.093 8.039 -0.925 136 HA GLU 18 HA GLU 18 -13.167 8.847 -2.898 137 1HB GLU 18 1HB GLU 18 -10.162 8.545 -3.297 138 2HB GLU 18 2HB GLU 18 -11.345 9.009 -4.504 139 1HG GLU 18 1HG GLU 18 -12.018 10.836 -2.717 140 2HG GLU 18 2HG GLU 18 -10.355 10.584 -2.180 141 H CYS 19 H CYS 19 -10.734 6.236 -2.239 142 HA CYS 19 HA CYS 19 -11.646 4.483 -4.191 143 1HB CYS 19 1HB CYS 19 -10.248 4.203 -1.523 144 2HB CYS 19 2HB CYS 19 -10.650 2.778 -2.448 145 H LYS 20 H LYS 20 -12.817 4.698 -0.810 146 HA LYS 20 HA LYS 20 -14.711 2.574 -1.046 147 1HB LYS 20 1HB LYS 20 -15.635 3.378 1.015 148 2HB LYS 20 2HB LYS 20 -13.893 3.625 1.087 149 1HG LYS 20 1HG LYS 20 -14.399 5.652 1.840 150 2HG LYS 20 2HG LYS 20 -14.558 6.058 0.143 151 1HD LYS 20 1HD LYS 20 -16.394 7.005 1.249 152 2HD LYS 20 2HD LYS 20 -17.074 5.622 0.382 153 1HE LYS 20 1HE LYS 20 -17.533 4.453 2.344 154 2HE LYS 20 2HE LYS 20 -16.058 5.019 3.117 155 1HZ LYS 20 1HZ LYS 20 -17.150 7.180 3.446 156 2HZ LYS 20 2HZ LYS 20 -18.595 6.493 2.951 157 3HZ LYS 20 3HZ LYS 20 -17.821 5.959 4.281 158 H LYS 21 H LYS 21 -14.736 5.818 -2.415 159 HA LYS 21 HA LYS 21 -17.612 5.748 -2.741 160 1HB LYS 21 1HB LYS 21 -15.609 7.857 -3.622 161 2HB LYS 21 2HB LYS 21 -17.363 7.929 -3.828 162 1HG LYS 21 1HG LYS 21 -17.610 7.587 -1.341 163 2HG LYS 21 2HG LYS 21 -15.877 7.696 -1.180 164 1HD LYS 21 1HD LYS 21 -15.908 9.995 -2.110 165 2HD LYS 21 2HD LYS 21 -17.661 9.921 -2.263 166 1HE LYS 21 1HE LYS 21 -16.186 9.422 0.375 167 2HE LYS 21 2HE LYS 21 -16.682 11.034 -0.125 168 1HZ LYS 21 1HZ LYS 21 -18.574 8.784 0.252 169 2HZ LYS 21 2HZ LYS 21 -18.317 9.988 1.329 170 3HZ LYS 21 3HZ LYS 21 -18.954 10.327 -0.144 171 H GLU 22 H GLU 22 -14.645 5.675 -4.759 172 HA GLU 22 HA GLU 22 -15.700 5.278 -7.284 173 1HB GLU 22 1HB GLU 22 -13.198 4.101 -5.981 174 2HB GLU 22 2HB GLU 22 -13.652 3.810 -7.641 175 1HG GLU 22 1HG GLU 22 -13.704 6.444 -7.824 176 2HG GLU 22 2HG GLU 22 -12.663 6.364 -6.392 177 H MET 23 H MET 23 -14.660 2.668 -5.017 178 HA MET 23 HA MET 23 -15.830 0.738 -6.845 179 1HB MET 23 1HB MET 23 -15.015 -0.479 -4.337 180 2HB MET 23 2HB MET 23 -14.510 -0.806 -5.940 181 1HG MET 23 1HG MET 23 -13.012 1.373 -5.613 182 2HG MET 23 2HG MET 23 -13.303 0.977 -3.902 183 1HE MET 23 1HE MET 23 -11.638 0.292 -7.150 184 2HE MET 23 2HE MET 23 -10.659 -1.155 -6.916 185 3HE MET 23 3HE MET 23 -12.411 -1.309 -7.187 186 H THR 24 H THR 24 -17.301 2.641 -4.667 187 HA THR 24 HA THR 24 -18.731 2.574 -2.987 188 HB THR 24 HB THR 24 -20.140 0.504 -4.708 189 HG1 THR 24 HG1 THR 24 -20.704 3.239 -4.858 190 1HG2 THR 24 1HG2 THR 24 -20.988 2.466 -2.553 191 2HG2 THR 24 2HG2 THR 24 -22.160 1.860 -3.776 192 3HG2 THR 24 3HG2 THR 24 -21.348 0.747 -2.680 193 H LEU 25 H LEU 25 -16.879 1.610 -1.855 194 HA LEU 25 HA LEU 25 -17.282 -1.189 -0.840 195 1HB LEU 25 1HB LEU 25 -15.173 0.727 0.165 196 2HB LEU 25 2HB LEU 25 -15.253 -0.992 0.415 197 HG LEU 25 HG LEU 25 -14.712 0.225 -2.320 198 1HD1 LEU 25 1HD1 LEU 25 -12.899 0.763 -0.722 199 2HD1 LEU 25 2HD1 LEU 25 -12.743 -0.968 -0.327 200 3HD1 LEU 25 3HD1 LEU 25 -12.376 -0.388 -1.960 201 1HD2 LEU 25 1HD2 LEU 25 -14.440 -2.629 -1.257 202 2HD2 LEU 25 2HD2 LEU 25 -15.668 -2.039 -2.407 203 3HD2 LEU 25 3HD2 LEU 25 -13.959 -2.042 -2.875 204 H THR 26 H THR 26 -16.982 -1.199 1.667 205 HA THR 26 HA THR 26 -19.125 0.346 2.887 206 HB THR 26 HB THR 26 -18.317 -1.000 4.911 207 HG1 THR 26 HG1 THR 26 -16.176 -1.315 3.959 208 1HG2 THR 26 1HG2 THR 26 -20.178 -1.808 3.469 209 2HG2 THR 26 2HG2 THR 26 -19.006 -2.633 2.414 210 3HG2 THR 26 3HG2 THR 26 -19.202 -3.147 4.095 211 H ASP 27 H ASP 27 -18.775 1.715 4.753 212 HA ASP 27 HA ASP 27 -16.560 3.537 4.677 213 1HB ASP 27 1HB ASP 27 -18.915 3.783 5.741 214 2HB ASP 27 2HB ASP 27 -18.229 2.981 7.148 215 H ALA 28 H ALA 28 -17.140 0.562 6.386 216 HA ALA 28 HA ALA 28 -15.391 0.523 8.466 217 1HB ALA 28 1HB ALA 28 -17.096 -1.196 7.943 218 2HB ALA 28 2HB ALA 28 -15.526 -1.935 8.284 219 3HB ALA 28 3HB ALA 28 -16.085 -1.801 6.611 220 H ILE 29 H ILE 29 -14.461 0.250 5.080 221 HA ILE 29 HA ILE 29 -11.839 -0.941 5.326 222 HB ILE 29 HB ILE 29 -11.449 -0.256 3.163 223 1HG1 ILE 29 1HG1 ILE 29 -13.165 1.150 1.878 224 2HG1 ILE 29 2HG1 ILE 29 -13.737 1.724 3.449 225 1HG2 ILE 29 1HG2 ILE 29 -13.063 -2.086 3.518 226 2HG2 ILE 29 2HG2 ILE 29 -14.400 -0.928 3.262 227 3HG2 ILE 29 3HG2 ILE 29 -13.238 -1.255 1.969 228 1HD1 ILE 29 1HD1 ILE 29 -10.829 1.851 3.147 229 2HD1 ILE 29 2HD1 ILE 29 -11.730 2.884 1.995 230 3HD1 ILE 29 3HD1 ILE 29 -11.958 3.070 3.750 231 H ASN 30 H ASN 30 -12.962 2.156 6.381 232 HA ASN 30 HA ASN 30 -10.515 3.587 6.168 233 1HB ASN 30 1HB ASN 30 -12.853 4.362 6.958 234 2HB ASN 30 2HB ASN 30 -12.339 3.808 8.558 235 1HD2 ASN 30 1HD2 ASN 30 -12.792 6.576 7.086 236 2HD2 ASN 30 2HD2 ASN 30 -11.319 7.466 7.496 237 H GLU 31 H GLU 31 -11.670 1.322 8.926 238 HA GLU 31 HA GLU 31 -9.028 1.620 10.055 239 1HB GLU 31 1HB GLU 31 -10.591 2.194 11.583 240 2HB GLU 31 2HB GLU 31 -11.860 1.162 10.907 241 1HG GLU 31 1HG GLU 31 -11.362 -0.564 12.087 242 2HG GLU 31 2HG GLU 31 -9.605 -0.338 12.010 243 H ASP 32 H ASP 32 -11.302 -0.773 8.601 244 HA ASP 32 HA ASP 32 -9.942 -3.174 9.231 245 1HB ASP 32 1HB ASP 32 -11.733 -2.297 7.002 246 2HB ASP 32 2HB ASP 32 -10.675 -3.618 6.604 247 H PHE 33 H PHE 33 -9.193 -0.694 6.781 248 HA PHE 33 HA PHE 33 -7.103 -2.173 5.446 249 1HB PHE 33 1HB PHE 33 -8.289 -0.232 4.482 250 2HB PHE 33 2HB PHE 33 -7.566 0.824 5.699 251 HD1 PHE 33 HD1 PHE 33 -7.182 -0.324 2.390 252 HD2 PHE 33 HD2 PHE 33 -4.829 0.733 5.863 253 HE1 PHE 33 HE1 PHE 33 -5.178 0.023 0.973 254 HE2 PHE 33 HE2 PHE 33 -2.809 0.790 4.390 255 HZ PHE 33 HZ PHE 33 -2.948 0.620 2.100 256 H TYR 34 H TYR 34 -7.095 0.291 8.049 257 HA TYR 34 HA TYR 34 -4.226 0.419 8.273 258 1HB TYR 34 1HB TYR 34 -6.567 1.236 10.045 259 2HB TYR 34 2HB TYR 34 -4.909 1.399 10.575 260 HD1 TYR 34 HD1 TYR 34 -4.377 3.634 10.691 261 HD2 TYR 34 HD2 TYR 34 -6.613 2.291 7.260 262 HE1 TYR 34 HE1 TYR 34 -4.381 5.913 9.817 263 HE2 TYR 34 HE2 TYR 34 -6.695 4.549 6.385 264 HH TYR 34 HH TYR 34 -6.530 7.076 7.723 265 H ASN 35 H ASN 35 -6.797 -1.582 9.918 266 HA ASN 35 HA ASN 35 -5.286 -2.773 11.944 267 1HB ASN 35 1HB ASN 35 -7.598 -3.775 10.238 268 2HB ASN 35 2HB ASN 35 -6.987 -4.542 11.666 269 1HD2 ASN 35 1HD2 ASN 35 -6.663 -1.693 13.013 270 2HD2 ASN 35 2HD2 ASN 35 -8.351 -1.405 13.447 271 H PHE 36 H PHE 36 -5.408 -3.439 8.416 272 HA PHE 36 HA PHE 36 -4.392 -6.032 8.434 273 1HB PHE 36 1HB PHE 36 -5.258 -4.635 6.489 274 2HB PHE 36 2HB PHE 36 -3.635 -3.965 6.397 275 HD1 PHE 36 HD1 PHE 36 -3.199 -7.455 7.208 276 HD2 PHE 36 HD2 PHE 36 -4.297 -4.811 3.983 277 HE1 PHE 36 HE1 PHE 36 -2.589 -9.175 5.589 278 HE2 PHE 36 HE2 PHE 36 -3.663 -6.555 2.348 279 HZ PHE 36 HZ PHE 36 -2.785 -8.755 3.156 280 H TRP 37 H TRP 37 -2.610 -2.950 9.060 281 HA TRP 37 HA TRP 37 -0.040 -4.237 8.648 282 1HB TRP 37 1HB TRP 37 -0.454 -1.721 10.221 283 2HB TRP 37 2HB TRP 37 0.943 -2.199 9.266 284 HD1 TRP 37 HD1 TRP 37 -0.350 -2.628 6.448 285 HE1 TRP 37 HE1 TRP 37 -1.329 -0.712 5.160 286 HE3 TRP 37 HE3 TRP 37 -1.215 0.473 10.393 287 HZ2 TRP 37 HZ2 TRP 37 -2.394 2.013 5.824 288 HZ3 TRP 37 HZ3 TRP 37 -2.243 2.700 10.069 289 HH2 TRP 37 HH2 TRP 37 -2.898 3.426 7.800 290 H LYS 38 H LYS 38 -2.261 -4.400 11.307 291 HA LYS 38 HA LYS 38 -0.328 -4.172 13.446 292 1HB LYS 38 1HB LYS 38 -3.160 -5.287 13.222 293 2HB LYS 38 2HB LYS 38 -2.265 -5.231 14.734 294 1HG LYS 38 1HG LYS 38 -2.045 -2.798 14.543 295 2HG LYS 38 2HG LYS 38 -2.891 -2.789 12.998 296 1HD LYS 38 1HD LYS 38 -4.939 -2.973 13.928 297 2HD LYS 38 2HD LYS 38 -4.445 -4.209 15.022 298 1HE LYS 38 1HE LYS 38 -5.352 -2.180 16.068 299 2HE LYS 38 2HE LYS 38 -3.757 -2.651 16.695 300 1HZ LYS 38 1HZ LYS 38 -4.212 -0.560 14.667 301 2HZ LYS 38 2HZ LYS 38 -4.075 -0.263 16.268 302 3HZ LYS 38 3HZ LYS 38 -2.793 -0.860 15.404 303 H GLU 39 H GLU 39 0.514 -5.896 14.708 304 HA GLU 39 HA GLU 39 1.341 -8.111 13.084 305 1HB GLU 39 1HB GLU 39 1.780 -7.332 15.970 306 2HB GLU 39 2HB GLU 39 2.241 -8.914 15.367 307 1HG GLU 39 1HG GLU 39 4.211 -7.728 15.146 308 2HG GLU 39 2HG GLU 39 3.548 -7.726 13.521 309 H GLY 40 H GLY 40 0.806 -10.238 13.207 310 1HA GLY 40 1HA GLY 40 -0.924 -11.504 14.993 311 2HA GLY 40 2HA GLY 40 -0.542 -12.052 13.360 312 H TYR 41 H TYR 41 -1.817 -9.193 12.537 313 HA TYR 41 HA TYR 41 -4.659 -9.924 12.769 314 1HB TYR 41 1HB TYR 41 -3.188 -7.503 12.559 315 2HB TYR 41 2HB TYR 41 -4.028 -7.648 11.075 316 HD1 TYR 41 HD1 TYR 41 -6.770 -7.891 11.263 317 HD2 TYR 41 HD2 TYR 41 -4.144 -6.890 14.540 318 HE1 TYR 41 HE1 TYR 41 -8.616 -6.805 12.372 319 HE2 TYR 41 HE2 TYR 41 -5.999 -5.690 15.631 320 HH TYR 41 HH TYR 41 -8.261 -4.852 15.352 321 H GLU 42 H GLU 42 -5.180 -11.517 11.454 322 HA GLU 42 HA GLU 42 -3.982 -11.790 8.747 323 1HB GLU 42 1HB GLU 42 -5.215 -13.645 10.780 324 2HB GLU 42 2HB GLU 42 -5.523 -13.979 9.076 325 1HG GLU 42 1HG GLU 42 -3.611 -15.241 9.873 326 2HG GLU 42 2HG GLU 42 -3.208 -14.162 8.561 327 H ILE 43 H ILE 43 -5.098 -10.337 7.437 328 HA ILE 43 HA ILE 43 -8.042 -10.218 7.525 329 HB ILE 43 HB ILE 43 -5.931 -8.452 6.194 330 1HG1 ILE 43 1HG1 ILE 43 -6.517 -6.728 7.722 331 2HG1 ILE 43 2HG1 ILE 43 -7.706 -7.693 8.557 332 1HG2 ILE 43 1HG2 ILE 43 -8.082 -8.446 4.938 333 2HG2 ILE 43 2HG2 ILE 43 -8.952 -8.059 6.443 334 3HG2 ILE 43 3HG2 ILE 43 -7.796 -6.903 5.750 335 1HD1 ILE 43 1HD1 ILE 43 -4.748 -8.331 8.484 336 2HD1 ILE 43 2HD1 ILE 43 -5.529 -7.247 9.654 337 3HD1 ILE 43 3HD1 ILE 43 -5.990 -8.948 9.606 338 H LYS 44 H LYS 44 -9.023 -11.600 6.101 339 HA LYS 44 HA LYS 44 -7.561 -12.388 3.635 340 1HB LYS 44 1HB LYS 44 -9.022 -14.103 5.667 341 2HB LYS 44 2HB LYS 44 -8.527 -14.687 4.085 342 1HG LYS 44 1HG LYS 44 -6.572 -13.608 6.173 343 2HG LYS 44 2HG LYS 44 -6.985 -15.306 5.999 344 1HD LYS 44 1HD LYS 44 -5.789 -13.652 3.731 345 2HD LYS 44 2HD LYS 44 -4.827 -14.579 4.871 346 1HE LYS 44 1HE LYS 44 -5.849 -16.671 4.216 347 2HE LYS 44 2HE LYS 44 -7.057 -15.839 3.225 348 1HZ LYS 44 1HZ LYS 44 -5.308 -15.113 1.755 349 2HZ LYS 44 2HZ LYS 44 -4.155 -15.926 2.637 350 3HZ LYS 44 3HZ LYS 44 -5.345 -16.727 1.846 351 H ASN 45 H ASN 45 -10.263 -10.814 4.667 352 HA ASN 45 HA ASN 45 -12.127 -11.793 2.649 353 1HB ASN 45 1HB ASN 45 -12.839 -10.762 4.800 354 2HB ASN 45 2HB ASN 45 -12.193 -9.207 4.223 355 1HD2 ASN 45 1HD2 ASN 45 -13.808 -7.946 3.452 356 2HD2 ASN 45 2HD2 ASN 45 -14.994 -8.403 2.264 357 H ARG 46 H ARG 46 -13.007 -9.426 1.402 358 HA ARG 46 HA ARG 46 -10.992 -9.383 -0.692 359 1HB ARG 46 1HB ARG 46 -13.657 -8.245 -1.291 360 2HB ARG 46 2HB ARG 46 -12.554 -9.118 -2.289 361 1HG ARG 46 1HG ARG 46 -13.212 -11.211 -1.153 362 2HG ARG 46 2HG ARG 46 -14.105 -10.285 0.015 363 1HD ARG 46 1HD ARG 46 -15.739 -9.549 -1.489 364 2HD ARG 46 2HD ARG 46 -14.759 -9.948 -2.920 365 HE ARG 46 HE ARG 46 -15.244 -12.187 -2.742 366 1HH1 ARG 46 1HH1 ARG 46 -16.301 -14.010 -1.879 367 2HH1 ARG 46 2HH1 ARG 46 -17.584 -13.807 -0.697 368 1HH2 ARG 46 1HH2 ARG 46 -17.385 -10.324 -0.616 369 2HH2 ARG 46 2HH2 ARG 46 -18.103 -11.707 0.138 370 H GLU 47 H GLU 47 -13.196 -7.148 1.037 371 HA GLU 47 HA GLU 47 -12.916 -4.921 -0.423 372 1HB GLU 47 1HB GLU 47 -13.353 -5.072 2.567 373 2HB GLU 47 2HB GLU 47 -13.438 -3.588 1.619 374 1HG GLU 47 1HG GLU 47 -15.624 -4.174 1.628 375 2HG GLU 47 2HG GLU 47 -15.122 -4.815 0.090 376 H THR 48 H THR 48 -10.713 -5.676 2.350 377 HA THR 48 HA THR 48 -9.183 -3.375 2.221 378 HB THR 48 HB THR 48 -8.318 -6.208 2.972 379 HG1 THR 48 HG1 THR 48 -9.082 -5.590 5.019 380 1HG2 THR 48 1HG2 THR 48 -7.242 -3.464 3.744 381 2HG2 THR 48 2HG2 THR 48 -6.823 -4.972 4.597 382 3HG2 THR 48 3HG2 THR 48 -6.379 -4.755 2.896 383 H GLY 49 H GLY 49 -8.751 -6.353 0.214 384 1HA GLY 49 1HA GLY 49 -7.283 -6.720 -1.545 385 2HA GLY 49 2HA GLY 49 -6.261 -5.402 -0.964 386 H CYS 50 H CYS 50 -9.716 -5.044 -1.600 387 HA CYS 50 HA CYS 50 -9.548 -3.953 -4.241 388 1HB CYS 50 1HB CYS 50 -11.497 -4.628 -2.366 389 2HB CYS 50 2HB CYS 50 -11.730 -2.909 -2.568 390 H ALA 51 H ALA 51 -9.714 -2.472 -0.964 391 HA ALA 51 HA ALA 51 -9.393 0.229 -1.813 392 1HB ALA 51 1HB ALA 51 -8.671 0.642 0.549 393 2HB ALA 51 2HB ALA 51 -8.610 -1.115 0.815 394 3HB ALA 51 3HB ALA 51 -10.155 -0.323 0.456 395 H ILE 52 H ILE 52 -6.801 -2.187 -0.864 396 HA ILE 52 HA ILE 52 -4.636 -0.460 -1.352 397 HB ILE 52 HB ILE 52 -4.926 -3.474 -1.566 398 1HG1 ILE 52 1HG1 ILE 52 -3.633 -1.701 0.546 399 2HG1 ILE 52 2HG1 ILE 52 -5.295 -2.241 0.662 400 1HG2 ILE 52 1HG2 ILE 52 -2.376 -1.787 -1.584 401 2HG2 ILE 52 2HG2 ILE 52 -2.399 -3.535 -1.409 402 3HG2 ILE 52 3HG2 ILE 52 -2.961 -2.801 -2.915 403 1HD1 ILE 52 1HD1 ILE 52 -2.911 -4.095 0.693 404 2HD1 ILE 52 2HD1 ILE 52 -3.872 -3.566 2.072 405 3HD1 ILE 52 3HD1 ILE 52 -4.634 -4.556 0.821 406 H MET 53 H MET 53 -6.245 -2.738 -3.663 407 HA MET 53 HA MET 53 -4.740 -2.135 -5.926 408 1HB MET 53 1HB MET 53 -6.209 -4.045 -5.670 409 2HB MET 53 2HB MET 53 -7.602 -3.035 -5.495 410 1HG MET 53 1HG MET 53 -6.059 -2.713 -8.033 411 2HG MET 53 2HG MET 53 -6.794 -4.283 -7.755 412 1HE MET 53 1HE MET 53 -9.260 -4.591 -7.002 413 2HE MET 53 2HE MET 53 -9.775 -3.154 -6.098 414 3HE MET 53 3HE MET 53 -10.604 -3.589 -7.592 415 H CYS 54 H CYS 54 -7.770 -0.475 -4.825 416 HA CYS 54 HA CYS 54 -7.776 1.386 -7.049 417 1HB CYS 54 1HB CYS 54 -9.799 1.073 -5.914 418 2HB CYS 54 2HB CYS 54 -9.086 1.296 -4.318 419 H LEU 55 H LEU 55 -6.343 1.458 -3.762 420 HA LEU 55 HA LEU 55 -5.568 4.189 -3.882 421 1HB LEU 55 1HB LEU 55 -4.644 1.806 -2.259 422 2HB LEU 55 2HB LEU 55 -3.803 3.339 -2.127 423 HG LEU 55 HG LEU 55 -6.805 3.090 -1.666 424 1HD1 LEU 55 1HD1 LEU 55 -4.439 2.598 0.128 425 2HD1 LEU 55 2HD1 LEU 55 -5.873 3.385 0.798 426 3HD1 LEU 55 3HD1 LEU 55 -6.019 1.799 0.034 427 1HD2 LEU 55 1HD2 LEU 55 -4.778 5.270 -1.096 428 2HD2 LEU 55 2HD2 LEU 55 -6.146 5.323 -2.221 429 3HD2 LEU 55 3HD2 LEU 55 -6.457 5.239 -0.483 430 H SER 56 H SER 56 -4.146 1.422 -5.486 431 HA SER 56 HA SER 56 -1.510 2.427 -5.637 432 1HB SER 56 1HB SER 56 -1.144 0.537 -7.000 433 2HB SER 56 2HB SER 56 -2.471 0.050 -6.007 434 HG SER 56 HG SER 56 -2.375 -0.243 -8.382 435 H THR 57 H THR 57 -4.356 3.676 -6.962 436 HA THR 57 HA THR 57 -2.802 5.441 -8.771 437 HB THR 57 HB THR 57 -3.917 3.735 -10.078 438 HG1 THR 57 HG1 THR 57 -4.721 5.051 -11.555 439 1HG2 THR 57 1HG2 THR 57 -6.505 4.788 -8.884 440 2HG2 THR 57 2HG2 THR 57 -6.411 3.764 -10.337 441 3HG2 THR 57 3HG2 THR 57 -5.830 3.152 -8.784 442 H LYS 58 H LYS 58 -3.424 5.651 -6.036 443 HA LYS 58 HA LYS 58 -4.795 8.310 -6.113 444 1HB LYS 58 1HB LYS 58 -4.888 6.201 -3.916 445 2HB LYS 58 2HB LYS 58 -5.422 7.853 -3.682 446 1HG LYS 58 1HG LYS 58 -6.625 6.251 -5.922 447 2HG LYS 58 2HG LYS 58 -7.255 6.090 -4.274 448 1HD LYS 58 1HD LYS 58 -7.824 8.354 -4.135 449 2HD LYS 58 2HD LYS 58 -7.005 8.698 -5.680 450 1HE LYS 58 1HE LYS 58 -9.150 6.564 -5.500 451 2HE LYS 58 2HE LYS 58 -9.591 8.256 -5.671 452 1HZ LYS 58 1HZ LYS 58 -7.747 6.892 -7.539 453 2HZ LYS 58 2HZ LYS 58 -9.365 6.911 -7.763 454 3HZ LYS 58 3HZ LYS 58 -8.513 8.326 -7.789 455 H LEU 59 H LEU 59 -1.886 7.313 -6.336 456 HA LEU 59 HA LEU 59 -0.491 7.844 -3.895 457 1HB LEU 59 1HB LEU 59 0.654 8.371 -6.629 458 2HB LEU 59 2HB LEU 59 1.493 7.849 -5.186 459 HG LEU 59 HG LEU 59 -0.408 6.190 -6.900 460 1HD1 LEU 59 1HD1 LEU 59 1.852 6.678 -7.877 461 2HD1 LEU 59 2HD1 LEU 59 2.571 5.794 -6.519 462 3HD1 LEU 59 3HD1 LEU 59 1.478 4.957 -7.636 463 1HD2 LEU 59 1HD2 LEU 59 -0.545 5.436 -4.524 464 2HD2 LEU 59 2HD2 LEU 59 0.166 4.242 -5.609 465 3HD2 LEU 59 3HD2 LEU 59 1.209 5.162 -4.533 466 H ASN 60 H ASN 60 -1.766 9.921 -6.440 467 HA ASN 60 HA ASN 60 -0.505 12.389 -5.788 468 1HB ASN 60 1HB ASN 60 -2.311 13.382 -7.089 469 2HB ASN 60 2HB ASN 60 -1.804 11.909 -7.895 470 1HD2 ASN 60 1HD2 ASN 60 -4.510 13.439 -6.064 471 2HD2 ASN 60 2HD2 ASN 60 -5.642 12.140 -6.417 472 H MET 61 H MET 61 -3.095 10.672 -4.153 473 HA MET 61 HA MET 61 -4.076 13.069 -2.794 474 1HB MET 61 1HB MET 61 -4.615 10.098 -2.342 475 2HB MET 61 2HB MET 61 -5.439 11.401 -1.495 476 1HG MET 61 1HG MET 61 -5.474 10.992 -4.507 477 2HG MET 61 2HG MET 61 -6.709 10.392 -3.415 478 1HE MET 61 1HE MET 61 -8.343 11.655 -2.107 479 2HE MET 61 2HE MET 61 -7.274 12.842 -1.309 480 3HE MET 61 3HE MET 61 -8.700 13.387 -2.225 481 H LEU 62 H LEU 62 -2.021 10.253 -2.271 482 HA LEU 62 HA LEU 62 -1.916 10.376 0.577 483 1HB LEU 62 1HB LEU 62 -0.315 8.827 -1.499 484 2HB LEU 62 2HB LEU 62 -0.372 8.430 0.208 485 HG LEU 62 HG LEU 62 -2.771 8.445 -1.632 486 1HD1 LEU 62 1HD1 LEU 62 -1.137 6.718 -2.294 487 2HD1 LEU 62 2HD1 LEU 62 -1.229 6.039 -0.664 488 3HD1 LEU 62 3HD1 LEU 62 -2.659 6.040 -1.730 489 1HD2 LEU 62 1HD2 LEU 62 -2.354 7.471 1.190 490 2HD2 LEU 62 2HD2 LEU 62 -3.445 8.761 0.620 491 3HD2 LEU 62 3HD2 LEU 62 -3.765 7.079 0.178 492 H ASP 63 H ASP 63 0.301 11.063 -2.085 493 HA ASP 63 HA ASP 63 2.226 12.386 -0.221 494 1HB ASP 63 1HB ASP 63 3.168 10.507 -1.434 495 2HB ASP 63 2HB ASP 63 2.761 11.251 -2.982 496 HA PRO 64 HA PRO 64 -0.045 15.656 -2.349 497 1HB PRO 64 1HB PRO 64 0.680 17.797 -0.759 498 2HB PRO 64 2HB PRO 64 -0.541 16.579 -0.268 499 1HG PRO 64 1HG PRO 64 2.396 16.717 0.439 500 2HG PRO 64 2HG PRO 64 1.003 16.443 1.532 501 1HD PRO 64 1HD PRO 64 2.529 14.403 0.550 502 2HD PRO 64 2HD PRO 64 0.760 14.208 0.781 503 H GLU 65 H GLU 65 3.408 15.827 -1.533 504 HA GLU 65 HA GLU 65 3.981 18.016 -3.359 505 1HB GLU 65 1HB GLU 65 5.928 16.010 -2.182 506 2HB GLU 65 2HB GLU 65 6.310 17.498 -3.071 507 1HG GLU 65 1HG GLU 65 4.794 18.716 -1.351 508 2HG GLU 65 2HG GLU 65 4.905 17.267 -0.395 509 H GLY 66 H GLY 66 3.469 14.580 -3.526 510 1HA GLY 66 1HA GLY 66 3.535 14.592 -6.422 511 2HA GLY 66 2HA GLY 66 2.862 13.352 -5.357 512 H ASN 67 H ASN 67 5.495 13.438 -3.732 513 HA ASN 67 HA ASN 67 7.678 12.795 -5.553 514 1HB ASN 67 1HB ASN 67 7.304 12.918 -2.571 515 2HB ASN 67 2HB ASN 67 8.514 11.780 -3.140 516 1HD2 ASN 67 1HD2 ASN 67 7.484 15.072 -4.272 517 2HD2 ASN 67 2HD2 ASN 67 9.091 15.772 -4.155 518 H LEU 68 H LEU 68 5.299 10.817 -3.798 519 HA LEU 68 HA LEU 68 6.590 8.341 -4.631 520 1HB LEU 68 1HB LEU 68 5.027 8.336 -2.707 521 2HB LEU 68 2HB LEU 68 3.709 8.811 -3.785 522 HG LEU 68 HG LEU 68 4.013 6.716 -5.112 523 1HD1 LEU 68 1HD1 LEU 68 6.211 6.157 -3.115 524 2HD1 LEU 68 2HD1 LEU 68 5.385 4.861 -3.978 525 3HD1 LEU 68 3HD1 LEU 68 6.284 6.080 -4.894 526 1HD2 LEU 68 1HD2 LEU 68 2.454 6.732 -3.285 527 2HD2 LEU 68 2HD2 LEU 68 3.199 5.139 -3.481 528 3HD2 LEU 68 3HD2 LEU 68 3.734 6.194 -2.148 529 H HIS 69 H HIS 69 6.758 7.792 -6.711 530 HA HIS 69 HA HIS 69 4.489 8.353 -8.558 531 1HB HIS 69 1HB HIS 69 7.395 7.857 -9.157 532 2HB HIS 69 2HB HIS 69 6.174 8.134 -10.368 533 HD1 HIS 69 HD1 HIS 69 4.939 10.679 -10.090 534 HD2 HIS 69 HD2 HIS 69 8.642 9.979 -8.222 535 HE1 HIS 69 HE1 HIS 69 5.950 12.993 -9.545 536 H HIS 70 H HIS 70 4.262 6.721 -10.131 537 HA HIS 70 HA HIS 70 3.909 4.097 -8.897 538 1HB HIS 70 1HB HIS 70 2.057 4.938 -10.000 539 2HB HIS 70 2HB HIS 70 2.959 5.527 -11.371 540 HD1 HIS 70 HD1 HIS 70 3.745 1.868 -11.243 541 HD2 HIS 70 HD2 HIS 70 0.560 4.410 -12.267 542 HE1 HIS 70 HE1 HIS 70 2.419 0.655 -13.026 543 H GLY 71 H GLY 71 5.308 2.422 -9.161 544 1HA GLY 71 1HA GLY 71 6.849 1.778 -11.358 545 2HA GLY 71 2HA GLY 71 7.152 1.251 -9.706 546 H ASN 72 H ASN 72 7.593 4.127 -8.816 547 HA ASN 72 HA ASN 72 10.428 4.208 -9.476 548 1HB ASN 72 1HB ASN 72 9.155 5.546 -11.331 549 2HB ASN 72 2HB ASN 72 8.878 6.730 -10.084 550 1HD2 ASN 72 1HD2 ASN 72 10.080 8.052 -11.643 551 2HD2 ASN 72 2HD2 ASN 72 11.836 8.018 -11.702 552 H ALA 73 H ALA 73 9.021 3.630 -7.176 553 HA ALA 73 HA ALA 73 8.380 5.902 -5.544 554 1HB ALA 73 1HB ALA 73 7.270 3.699 -5.314 555 2HB ALA 73 2HB ALA 73 8.002 4.207 -3.786 556 3HB ALA 73 3HB ALA 73 8.817 2.982 -4.768 557 H MET 74 H MET 74 11.409 5.246 -6.460 558 HA MET 74 HA MET 74 12.771 4.427 -4.059 559 1HB MET 74 1HB MET 74 13.676 5.598 -6.733 560 2HB MET 74 2HB MET 74 14.791 5.212 -5.431 561 1HG MET 74 1HG MET 74 13.957 2.873 -5.412 562 2HG MET 74 2HG MET 74 12.947 3.234 -6.812 563 1HE MET 74 1HE MET 74 14.033 1.085 -7.966 564 2HE MET 74 2HE MET 74 15.777 0.874 -8.230 565 3HE MET 74 3HE MET 74 15.119 0.815 -6.581 566 H GLU 75 H GLU 75 12.054 7.514 -5.656 567 HA GLU 75 HA GLU 75 13.775 8.959 -3.775 568 1HB GLU 75 1HB GLU 75 11.976 9.769 -6.049 569 2HB GLU 75 2HB GLU 75 12.230 10.962 -4.787 570 1HG GLU 75 1HG GLU 75 14.809 10.215 -5.064 571 2HG GLU 75 2HG GLU 75 14.243 9.781 -6.666 572 H PHE 76 H PHE 76 10.279 8.344 -3.722 573 HA PHE 76 HA PHE 76 9.789 9.677 -1.201 574 1HB PHE 76 1HB PHE 76 7.925 9.009 -2.537 575 2HB PHE 76 2HB PHE 76 8.582 7.428 -2.868 576 HD1 PHE 76 HD1 PHE 76 7.974 5.551 -1.573 577 HD2 PHE 76 HD2 PHE 76 7.168 9.515 -0.138 578 HE1 PHE 76 HE1 PHE 76 6.393 4.615 0.126 579 HE2 PHE 76 HE2 PHE 76 5.697 8.585 1.638 580 HZ PHE 76 HZ PHE 76 5.286 6.126 1.747 581 H ALA 77 H ALA 77 10.551 6.197 -1.953 582 HA ALA 77 HA ALA 77 10.705 5.395 0.650 583 1HB ALA 77 1HB ALA 77 10.687 3.950 -1.354 584 2HB ALA 77 2HB ALA 77 11.891 3.468 -0.158 585 3HB ALA 77 3HB ALA 77 12.405 4.323 -1.630 586 H LYS 78 H LYS 78 13.385 6.860 -1.219 587 HA LYS 78 HA LYS 78 15.470 6.525 0.674 588 1HB LYS 78 1HB LYS 78 14.879 8.617 -1.444 589 2HB LYS 78 2HB LYS 78 16.320 8.717 -0.428 590 1HG LYS 78 1HG LYS 78 17.255 6.695 -1.263 591 2HG LYS 78 2HG LYS 78 15.737 6.213 -2.018 592 1HD LYS 78 1HD LYS 78 15.855 8.113 -3.588 593 2HD LYS 78 2HD LYS 78 17.348 8.663 -2.814 594 1HE LYS 78 1HE LYS 78 18.434 6.504 -3.470 595 2HE LYS 78 2HE LYS 78 16.948 6.021 -4.306 596 1HZ LYS 78 1HZ LYS 78 18.475 8.483 -4.938 597 2HZ LYS 78 2HZ LYS 78 18.706 7.102 -5.744 598 3HZ LYS 78 3HZ LYS 78 17.248 7.856 -5.837 599 H LYS 79 H LYS 79 12.804 8.906 0.683 600 HA LYS 79 HA LYS 79 13.833 10.649 2.716 601 1HB LYS 79 1HB LYS 79 10.971 9.955 1.982 602 2HB LYS 79 2HB LYS 79 11.491 11.240 3.076 603 1HG LYS 79 1HG LYS 79 12.909 12.125 1.082 604 2HG LYS 79 2HG LYS 79 11.936 11.008 0.103 605 1HD LYS 79 1HD LYS 79 9.905 12.106 1.347 606 2HD LYS 79 2HD LYS 79 11.060 13.404 1.721 607 1HE LYS 79 1HE LYS 79 10.236 12.344 -1.026 608 2HE LYS 79 2HE LYS 79 9.655 13.840 -0.308 609 1HZ LYS 79 1HZ LYS 79 12.486 13.342 -0.999 610 2HZ LYS 79 2HZ LYS 79 11.394 14.090 -1.962 611 3HZ LYS 79 3HZ LYS 79 11.819 14.782 -0.524 612 H HIS 80 H HIS 80 12.579 7.339 2.928 613 HA HIS 80 HA HIS 80 12.317 7.629 5.874 614 1HB HIS 80 1HB HIS 80 11.427 5.267 4.295 615 2HB HIS 80 2HB HIS 80 10.887 5.835 5.875 616 HD1 HIS 80 HD1 HIS 80 8.508 6.971 5.771 617 HD2 HIS 80 HD2 HIS 80 10.674 7.014 2.177 618 HE1 HIS 80 HE1 HIS 80 7.016 8.102 3.987 619 H GLY 81 H GLY 81 14.786 7.134 3.894 620 1HA GLY 81 1HA GLY 81 16.076 5.252 5.756 621 2HA GLY 81 2HA GLY 81 16.876 6.479 4.767 622 H ALA 82 H ALA 82 14.530 4.656 3.066 623 HA ALA 82 HA ALA 82 15.927 2.232 2.614 624 1HB ALA 82 1HB ALA 82 14.447 1.853 0.726 625 2HB ALA 82 2HB ALA 82 13.473 2.577 2.013 626 3HB ALA 82 3HB ALA 82 14.037 3.564 0.645 627 H ASP 83 H ASP 83 17.539 1.568 1.091 628 HA ASP 83 HA ASP 83 18.875 3.612 -0.490 629 1HB ASP 83 1HB ASP 83 19.476 0.762 -0.356 630 2HB ASP 83 2HB ASP 83 20.502 2.075 -0.854 631 H GLU 84 H GLU 84 19.492 2.800 -2.796 632 HA GLU 84 HA GLU 84 17.154 2.498 -4.386 633 1HB GLU 84 1HB GLU 84 18.774 3.745 -5.356 634 2HB GLU 84 2HB GLU 84 20.093 2.881 -4.569 635 1HG GLU 84 1HG GLU 84 19.994 1.078 -6.083 636 2HG GLU 84 2HG GLU 84 18.574 1.748 -6.925 637 H THR 85 H THR 85 19.848 0.308 -3.368 638 HA THR 85 HA THR 85 18.780 -1.981 -4.694 639 HB THR 85 HB THR 85 20.430 -1.992 -2.136 640 HG1 THR 85 HG1 THR 85 21.458 -0.714 -3.586 641 1HG2 THR 85 1HG2 THR 85 20.222 -3.979 -4.444 642 2HG2 THR 85 2HG2 THR 85 21.299 -4.125 -3.049 643 3HG2 THR 85 3HG2 THR 85 19.566 -4.210 -2.810 644 H MET 86 H MET 86 18.003 -0.542 -1.433 645 HA MET 86 HA MET 86 16.658 -2.896 -0.533 646 1HB MET 86 1HB MET 86 16.801 -0.009 0.416 647 2HB MET 86 2HB MET 86 15.946 -1.288 1.230 648 1HG MET 86 1HG MET 86 18.297 -2.564 0.886 649 2HG MET 86 2HG MET 86 18.866 -0.911 0.921 650 1HE MET 86 1HE MET 86 18.165 0.765 3.126 651 2HE MET 86 2HE MET 86 16.497 0.133 3.197 652 3HE MET 86 3HE MET 86 17.528 0.084 4.636 653 H ALA 87 H ALA 87 15.623 0.148 -2.151 654 HA ALA 87 HA ALA 87 12.834 -0.569 -2.228 655 1HB ALA 87 1HB ALA 87 13.617 1.683 -2.832 656 2HB ALA 87 2HB ALA 87 12.763 0.943 -4.189 657 3HB ALA 87 3HB ALA 87 14.538 1.017 -4.206 658 H GLN 88 H GLN 88 15.541 -1.161 -4.543 659 HA GLN 88 HA GLN 88 14.020 -2.572 -6.357 660 1HB GLN 88 1HB GLN 88 16.463 -1.742 -6.543 661 2HB GLN 88 2HB GLN 88 16.923 -3.251 -5.761 662 1HG GLN 88 1HG GLN 88 17.211 -3.731 -8.011 663 2HG GLN 88 2HG GLN 88 15.615 -4.409 -7.713 664 1HE2 GLN 88 1HE2 GLN 88 13.696 -2.835 -8.294 665 2HE2 GLN 88 2HE2 GLN 88 14.000 -1.652 -9.550 666 H GLN 89 H GLN 89 15.530 -3.903 -3.444 667 HA GLN 89 HA GLN 89 14.966 -6.660 -3.689 668 1HB GLN 89 1HB GLN 89 15.123 -4.670 -1.426 669 2HB GLN 89 2HB GLN 89 14.489 -6.234 -1.039 670 1HG GLN 89 1HG GLN 89 17.141 -5.930 -2.499 671 2HG GLN 89 2HG GLN 89 17.012 -5.710 -0.755 672 1HE2 GLN 89 1HE2 GLN 89 18.568 -7.535 -0.641 673 2HE2 GLN 89 2HE2 GLN 89 17.957 -9.158 -0.758 674 H LEU 90 H LEU 90 12.850 -4.031 -2.396 675 HA LEU 90 HA LEU 90 10.658 -5.824 -1.847 676 1HB LEU 90 1HB LEU 90 10.791 -2.796 -2.093 677 2HB LEU 90 2HB LEU 90 9.457 -3.685 -1.416 678 HG LEU 90 HG LEU 90 12.286 -3.837 -0.263 679 1HD1 LEU 90 1HD1 LEU 90 9.994 -2.016 0.519 680 2HD1 LEU 90 2HD1 LEU 90 11.461 -2.272 1.482 681 3HD1 LEU 90 3HD1 LEU 90 11.594 -1.572 -0.120 682 1HD2 LEU 90 1HD2 LEU 90 10.628 -5.669 0.386 683 2HD2 LEU 90 2HD2 LEU 90 11.400 -4.767 1.704 684 3HD2 LEU 90 3HD2 LEU 90 9.755 -4.367 1.270 685 H ILE 91 H ILE 91 11.510 -3.700 -4.499 686 HA ILE 91 HA ILE 91 9.072 -3.997 -6.034 687 HB ILE 91 HB ILE 91 11.912 -3.186 -6.654 688 1HG1 ILE 91 1HG1 ILE 91 9.458 -1.459 -6.987 689 2HG1 ILE 91 2HG1 ILE 91 9.972 -1.814 -5.354 690 1HG2 ILE 91 1HG2 ILE 91 9.632 -3.324 -8.653 691 2HG2 ILE 91 2HG2 ILE 91 11.111 -2.376 -8.904 692 3HG2 ILE 91 3HG2 ILE 91 11.209 -4.141 -8.753 693 1HD1 ILE 91 1HD1 ILE 91 11.750 -0.519 -7.449 694 2HD1 ILE 91 2HD1 ILE 91 10.872 0.301 -6.130 695 3HD1 ILE 91 3HD1 ILE 91 12.137 -0.853 -5.739 696 H ASP 92 H ASP 92 12.126 -5.911 -6.013 697 HA ASP 92 HA ASP 92 11.415 -7.731 -8.088 698 1HB ASP 92 1HB ASP 92 13.611 -7.411 -6.531 699 2HB ASP 92 2HB ASP 92 12.894 -8.691 -5.619 700 H ILE 93 H ILE 93 10.906 -7.769 -4.656 701 HA ILE 93 HA ILE 93 9.330 -10.130 -4.463 702 HB ILE 93 HB ILE 93 9.325 -7.654 -2.696 703 1HG1 ILE 93 1HG1 ILE 93 10.654 -10.376 -2.409 704 2HG1 ILE 93 2HG1 ILE 93 11.508 -8.989 -2.965 705 1HG2 ILE 93 1HG2 ILE 93 7.233 -8.976 -2.369 706 2HG2 ILE 93 2HG2 ILE 93 8.216 -10.417 -2.138 707 3HG2 ILE 93 3HG2 ILE 93 8.293 -9.051 -0.979 708 1HD1 ILE 93 1HD1 ILE 93 11.081 -7.823 -0.799 709 2HD1 ILE 93 2HD1 ILE 93 10.329 -9.314 -0.193 710 3HD1 ILE 93 3HD1 ILE 93 12.037 -9.312 -0.651 711 H VAL 94 H VAL 94 8.137 -6.733 -5.173 712 HA VAL 94 HA VAL 94 5.371 -7.472 -5.081 713 HB VAL 94 HB VAL 94 6.690 -5.377 -6.863 714 1HG1 VAL 94 1HG1 VAL 94 4.478 -5.975 -7.878 715 2HG1 VAL 94 2HG1 VAL 94 3.683 -5.651 -6.325 716 3HG1 VAL 94 3HG1 VAL 94 4.503 -4.354 -7.224 717 1HG2 VAL 94 1HG2 VAL 94 5.152 -5.116 -4.216 718 2HG2 VAL 94 2HG2 VAL 94 6.866 -4.724 -4.567 719 3HG2 VAL 94 3HG2 VAL 94 5.609 -3.767 -5.309 720 H HIS 95 H HIS 95 7.666 -7.439 -7.801 721 HA HIS 95 HA HIS 95 5.800 -8.593 -9.698 722 1HB HIS 95 1HB HIS 95 8.790 -8.091 -9.687 723 2HB HIS 95 2HB HIS 95 7.842 -8.493 -11.132 724 HD1 HIS 95 HD1 HIS 95 9.443 -5.655 -10.588 725 HD2 HIS 95 HD2 HIS 95 5.333 -6.363 -10.076 726 HE1 HIS 95 HE1 HIS 95 8.278 -3.398 -10.834 727 H GLY 96 H GLY 96 7.796 -9.864 -7.303 728 1HA GLY 96 1HA GLY 96 8.494 -11.995 -6.775 729 2HA GLY 96 2HA GLY 96 7.944 -12.566 -8.361 730 H CYS 97 H CYS 97 6.023 -10.771 -6.111 731 HA CYS 97 HA CYS 97 4.823 -13.104 -4.822 732 1HB CYS 97 1HB CYS 97 4.586 -10.109 -4.477 733 2HB CYS 97 2HB CYS 97 3.320 -11.147 -3.848 734 H GLU 98 H GLU 98 3.918 -10.684 -7.264 735 HA GLU 98 HA GLU 98 1.276 -11.405 -7.761 736 1HB GLU 98 1HB GLU 98 3.519 -10.778 -9.664 737 2HB GLU 98 2HB GLU 98 1.872 -11.064 -10.187 738 1HG GLU 98 1HG GLU 98 1.226 -9.231 -8.450 739 2HG GLU 98 2HG GLU 98 2.907 -8.906 -8.328 740 H LYS 99 H LYS 99 4.324 -13.034 -8.687 741 HA LYS 99 HA LYS 99 3.218 -14.945 -10.462 742 1HB LYS 99 1HB LYS 99 5.789 -15.368 -9.011 743 2HB LYS 99 2HB LYS 99 5.250 -15.944 -10.598 744 1HG LYS 99 1HG LYS 99 5.801 -13.064 -9.862 745 2HG LYS 99 2HG LYS 99 6.842 -14.136 -10.772 746 1HD LYS 99 1HD LYS 99 4.084 -13.409 -11.705 747 2HD LYS 99 2HD LYS 99 5.522 -12.480 -12.152 748 1HE LYS 99 1HE LYS 99 6.148 -13.988 -13.714 749 2HE LYS 99 2HE LYS 99 6.021 -15.301 -12.543 750 1HZ LYS 99 1HZ LYS 99 3.496 -15.102 -13.020 751 2HZ LYS 99 2HZ LYS 99 3.972 -14.366 -14.408 752 3HZ LYS 99 3HZ LYS 99 4.457 -15.882 -14.060 753 H SER 100 H SER 100 3.962 -15.010 -6.998 754 HA SER 100 HA SER 100 3.216 -17.759 -6.580 755 1HB SER 100 1HB SER 100 3.545 -17.275 -4.287 756 2HB SER 100 2HB SER 100 4.798 -16.397 -5.180 757 HG SER 100 HG SER 100 3.159 -14.561 -4.985 758 H THR 101 H THR 101 1.253 -15.065 -7.233 759 HA THR 101 HA THR 101 -0.976 -16.012 -5.536 760 HB THR 101 HB THR 101 -0.676 -13.250 -6.744 761 HG1 THR 101 HG1 THR 101 0.964 -13.540 -5.237 762 1HG2 THR 101 1HG2 THR 101 -2.392 -14.456 -4.519 763 2HG2 THR 101 2HG2 THR 101 -2.358 -12.738 -5.007 764 3HG2 THR 101 3HG2 THR 101 -2.978 -13.967 -6.121 765 HA PRO 102 HA PRO 102 -2.051 -17.420 -9.624 766 1HB PRO 102 1HB PRO 102 -4.317 -18.880 -9.055 767 2HB PRO 102 2HB PRO 102 -2.661 -19.435 -8.793 768 1HG PRO 102 1HG PRO 102 -4.582 -18.313 -6.769 769 2HG PRO 102 2HG PRO 102 -3.391 -19.632 -6.572 770 1HD PRO 102 1HD PRO 102 -2.988 -17.046 -5.704 771 2HD PRO 102 2HD PRO 102 -1.662 -18.148 -6.152 772 H ALA 103 H ALA 103 -3.116 -16.513 -11.172 773 HA ALA 103 HA ALA 103 -4.327 -14.069 -11.087 774 1HB ALA 103 1HB ALA 103 -4.413 -16.195 -13.259 775 2HB ALA 103 2HB ALA 103 -3.201 -14.890 -13.040 776 3HB ALA 103 3HB ALA 103 -4.882 -14.498 -13.463 777 H ASN 104 H ASN 104 -5.968 -13.835 -9.854 778 HA ASN 104 HA ASN 104 -8.309 -15.588 -9.752 779 1HB ASN 104 1HB ASN 104 -7.081 -14.108 -7.887 780 2HB ASN 104 2HB ASN 104 -8.184 -12.874 -8.444 781 1HD2 ASN 104 1HD2 ASN 104 -7.777 -15.082 -6.119 782 2HD2 ASN 104 2HD2 ASN 104 -9.472 -15.417 -5.771 783 H ASP 105 H ASP 105 -10.522 -14.852 -10.248 784 HA ASP 105 HA ASP 105 -10.865 -13.055 -12.342 785 1HB ASP 105 1HB ASP 105 -12.250 -15.038 -11.978 786 2HB ASP 105 2HB ASP 105 -12.813 -14.374 -10.449 787 H ASP 106 H ASP 106 -10.828 -12.917 -8.784 788 HA ASP 106 HA ASP 106 -12.211 -10.331 -8.650 789 1HB ASP 106 1HB ASP 106 -12.788 -12.318 -7.168 790 2HB ASP 106 2HB ASP 106 -11.214 -12.271 -6.556 791 H LYS 107 H LYS 107 -10.724 -8.727 -9.203 792 HA LYS 107 HA LYS 107 -7.935 -8.978 -8.883 793 1HB LYS 107 1HB LYS 107 -9.604 -7.081 -10.088 794 2HB LYS 107 2HB LYS 107 -8.991 -6.181 -8.720 795 1HG LYS 107 1HG LYS 107 -7.312 -5.749 -10.207 796 2HG LYS 107 2HG LYS 107 -6.631 -7.165 -9.416 797 1HD LYS 107 1HD LYS 107 -6.563 -8.228 -11.430 798 2HD LYS 107 2HD LYS 107 -8.311 -8.202 -11.501 799 1HE LYS 107 1HE LYS 107 -7.967 -5.671 -12.213 800 2HE LYS 107 2HE LYS 107 -6.336 -6.211 -12.644 801 1HZ LYS 107 1HZ LYS 107 -7.534 -7.990 -13.985 802 2HZ LYS 107 2HZ LYS 107 -8.914 -7.143 -13.749 803 3HZ LYS 107 3HZ LYS 107 -7.620 -6.469 -14.561 804 H CYS 108 H CYS 108 -10.414 -7.989 -6.611 805 HA CYS 108 HA CYS 108 -8.682 -6.479 -4.851 806 1HB CYS 108 1HB CYS 108 -11.428 -7.721 -4.324 807 2HB CYS 108 2HB CYS 108 -10.639 -6.463 -3.393 808 H ILE 109 H ILE 109 -10.089 -9.760 -4.861 809 HA ILE 109 HA ILE 109 -8.703 -10.728 -2.551 810 HB ILE 109 HB ILE 109 -10.070 -12.089 -4.951 811 1HG1 ILE 109 1HG1 ILE 109 -10.792 -11.496 -2.031 812 2HG1 ILE 109 2HG1 ILE 109 -11.449 -10.720 -3.449 813 1HG2 ILE 109 1HG2 ILE 109 -8.897 -13.322 -2.423 814 2HG2 ILE 109 2HG2 ILE 109 -9.988 -14.167 -3.548 815 3HG2 ILE 109 3HG2 ILE 109 -8.379 -13.658 -4.071 816 1HD1 ILE 109 1HD1 ILE 109 -12.196 -13.134 -4.133 817 2HD1 ILE 109 2HD1 ILE 109 -12.066 -13.421 -2.378 818 3HD1 ILE 109 3HD1 ILE 109 -13.118 -12.123 -3.007 819 H TRP 110 H TRP 110 -7.826 -10.895 -6.046 820 HA TRP 110 HA TRP 110 -5.392 -12.300 -5.648 821 1HB TRP 110 1HB TRP 110 -6.374 -11.898 -7.858 822 2HB TRP 110 2HB TRP 110 -6.098 -10.180 -7.705 823 HD1 TRP 110 HD1 TRP 110 -4.226 -13.465 -8.354 824 HE1 TRP 110 HE1 TRP 110 -1.859 -12.967 -9.172 825 HE3 TRP 110 HE3 TRP 110 -4.362 -8.397 -7.878 826 HZ2 TRP 110 HZ2 TRP 110 -0.225 -10.528 -9.677 827 HZ3 TRP 110 HZ3 TRP 110 -2.447 -7.010 -8.548 828 HH2 TRP 110 HH2 TRP 110 -0.411 -8.037 -9.419 829 H THR 111 H THR 111 -5.948 -8.724 -5.700 830 HA THR 111 HA THR 111 -3.332 -7.964 -5.177 831 HB THR 111 HB THR 111 -5.950 -6.587 -4.443 832 HG1 THR 111 HG1 THR 111 -5.915 -6.914 -6.572 833 1HG2 THR 111 1HG2 THR 111 -3.121 -5.659 -4.227 834 2HG2 THR 111 2HG2 THR 111 -4.232 -4.566 -5.072 835 3HG2 THR 111 3HG2 THR 111 -4.595 -5.076 -3.424 836 H LEU 112 H LEU 112 -5.916 -8.856 -2.707 837 HA LEU 112 HA LEU 112 -4.271 -8.202 -0.461 838 1HB LEU 112 1HB LEU 112 -6.691 -8.365 -0.418 839 2HB LEU 112 2HB LEU 112 -6.608 -10.095 -0.722 840 HG LEU 112 HG LEU 112 -4.828 -9.150 1.503 841 1HD1 LEU 112 1HD1 LEU 112 -7.828 -8.835 1.797 842 2HD1 LEU 112 2HD1 LEU 112 -6.617 -8.779 3.111 843 3HD1 LEU 112 3HD1 LEU 112 -6.600 -7.546 1.836 844 1HD2 LEU 112 1HD2 LEU 112 -5.412 -11.473 0.768 845 2HD2 LEU 112 2HD2 LEU 112 -5.609 -11.159 2.507 846 3HD2 LEU 112 3HD2 LEU 112 -7.051 -11.196 1.445 847 H GLY 113 H GLY 113 -4.693 -11.177 -2.383 848 1HA GLY 113 1HA GLY 113 -3.176 -12.871 -2.765 849 2HA GLY 113 2HA GLY 113 -2.964 -12.925 -1.006 850 H VAL 114 H VAL 114 -2.047 -10.638 -3.665 851 HA VAL 114 HA VAL 114 0.712 -11.056 -3.558 852 HB VAL 114 HB VAL 114 -0.746 -8.493 -4.323 853 1HG1 VAL 114 1HG1 VAL 114 1.743 -8.183 -4.051 854 2HG1 VAL 114 2HG1 VAL 114 1.996 -9.488 -5.226 855 3HG1 VAL 114 3HG1 VAL 114 1.194 -7.979 -5.711 856 1HG2 VAL 114 1HG2 VAL 114 0.073 -10.938 -5.957 857 2HG2 VAL 114 2HG2 VAL 114 -1.579 -10.373 -5.666 858 3HG2 VAL 114 3HG2 VAL 114 -0.494 -9.401 -6.643 859 H ALA 115 H ALA 115 -1.168 -8.493 -1.788 860 HA ALA 115 HA ALA 115 1.105 -7.422 -0.458 861 1HB ALA 115 1HB ALA 115 -0.986 -6.199 -0.575 862 2HB ALA 115 2HB ALA 115 -0.536 -6.438 1.119 863 3HB ALA 115 3HB ALA 115 -1.816 -7.441 0.408 864 H THR 116 H THR 116 -0.943 -10.207 0.417 865 HA THR 116 HA THR 116 0.097 -10.475 3.099 866 HB THR 116 HB THR 116 -1.151 -12.614 1.313 867 HG1 THR 116 HG1 THR 116 -2.531 -10.858 1.477 868 1HG2 THR 116 1HG2 THR 116 -1.021 -12.342 4.352 869 2HG2 THR 116 2HG2 THR 116 -1.907 -13.596 3.458 870 3HG2 THR 116 3HG2 THR 116 -0.140 -13.537 3.380 871 H CYS 117 H CYS 117 1.021 -11.742 -0.122 872 HA CYS 117 HA CYS 117 3.232 -13.369 0.745 873 1HB CYS 117 1HB CYS 117 2.330 -13.740 -1.430 874 2HB CYS 117 2HB CYS 117 2.535 -12.064 -1.903 875 H PHE 118 H PHE 118 3.158 -9.931 -0.598 876 HA PHE 118 HA PHE 118 5.812 -9.455 -0.460 877 1HB PHE 118 1HB PHE 118 4.139 -7.947 -1.394 878 2HB PHE 118 2HB PHE 118 3.494 -7.591 0.202 879 HD1 PHE 118 HD1 PHE 118 7.083 -7.664 0.456 880 HD2 PHE 118 HD2 PHE 118 3.951 -5.286 -1.219 881 HE1 PHE 118 HE1 PHE 118 8.489 -5.773 0.560 882 HE2 PHE 118 HE2 PHE 118 5.408 -3.256 -0.990 883 HZ PHE 118 HZ PHE 118 7.669 -3.473 -0.084 884 H LYS 119 H LYS 119 3.593 -8.635 2.191 885 HA LYS 119 HA LYS 119 5.366 -7.822 4.115 886 1HB LYS 119 1HB LYS 119 2.674 -8.400 3.997 887 2HB LYS 119 2HB LYS 119 3.195 -9.656 5.035 888 1HG LYS 119 1HG LYS 119 4.549 -7.294 5.981 889 2HG LYS 119 2HG LYS 119 2.941 -6.788 5.531 890 1HD LYS 119 1HD LYS 119 2.283 -7.473 7.534 891 2HD LYS 119 2HD LYS 119 2.453 -9.137 7.025 892 1HE LYS 119 1HE LYS 119 4.531 -7.400 8.431 893 2HE LYS 119 2HE LYS 119 3.617 -8.736 9.137 894 1HZ LYS 119 1HZ LYS 119 4.772 -10.206 7.514 895 2HZ LYS 119 2HZ LYS 119 5.761 -8.898 7.131 896 3HZ LYS 119 3HZ LYS 119 5.725 -9.462 8.646 897 H ALA 120 H ALA 120 4.399 -11.154 3.449 898 HA ALA 120 HA ALA 120 5.897 -12.347 5.614 899 1HB ALA 120 1HB ALA 120 5.507 -14.464 4.504 900 2HB ALA 120 2HB ALA 120 4.018 -13.500 4.517 901 3HB ALA 120 3HB ALA 120 4.986 -13.644 3.019 902 H GLU 121 H GLU 121 6.725 -11.725 2.168 903 HA GLU 121 HA GLU 121 9.318 -12.903 2.313 904 1HB GLU 121 1HB GLU 121 8.271 -10.646 0.560 905 2HB GLU 121 2HB GLU 121 9.813 -11.444 0.324 906 1HG GLU 121 1HG GLU 121 7.146 -12.926 0.233 907 2HG GLU 121 2HG GLU 121 7.972 -12.266 -1.170 908 H ILE 122 H ILE 122 8.185 -9.596 3.285 909 HA ILE 122 HA ILE 122 10.811 -8.667 3.866 910 HB ILE 122 HB ILE 122 8.259 -7.857 5.255 911 1HG1 ILE 122 1HG1 ILE 122 9.456 -6.627 2.790 912 2HG1 ILE 122 2HG1 ILE 122 8.026 -7.618 2.840 913 1HG2 ILE 122 1HG2 ILE 122 10.317 -7.144 6.442 914 2HG2 ILE 122 2HG2 ILE 122 10.883 -6.355 4.958 915 3HG2 ILE 122 3HG2 ILE 122 9.417 -5.795 5.813 916 1HD1 ILE 122 1HD1 ILE 122 6.964 -6.000 4.472 917 2HD1 ILE 122 2HD1 ILE 122 8.299 -4.882 4.106 918 3HD1 ILE 122 3HD1 ILE 122 7.198 -5.405 2.830 919 H HIS 123 H HIS 123 8.719 -10.951 5.619 920 HA HIS 123 HA HIS 123 10.429 -11.027 7.972 921 1HB HIS 123 1HB HIS 123 7.865 -11.950 7.307 922 2HB HIS 123 2HB HIS 123 8.815 -13.405 7.569 923 HD1 HIS 123 HD1 HIS 123 7.965 -14.043 10.017 924 HD2 HIS 123 HD2 HIS 123 9.014 -9.989 9.499 925 HE1 HIS 123 HE1 HIS 123 7.815 -12.956 12.305 926 H LYS 124 H LYS 124 10.900 -12.022 4.802 927 HA LYS 124 HA LYS 124 13.035 -13.958 5.541 928 1HB LYS 124 1HB LYS 124 12.340 -15.093 3.778 929 2HB LYS 124 2HB LYS 124 11.124 -13.887 3.411 930 1HG LYS 124 1HG LYS 124 13.065 -12.567 2.306 931 2HG LYS 124 2HG LYS 124 13.932 -14.125 2.329 932 1HD LYS 124 1HD LYS 124 11.904 -15.052 1.088 933 2HD LYS 124 2HD LYS 124 11.318 -13.392 0.957 934 1HE LYS 124 1HE LYS 124 13.898 -14.527 -0.179 935 2HE LYS 124 2HE LYS 124 12.477 -14.034 -1.102 936 1HZ LYS 124 1HZ LYS 124 14.205 -12.203 0.463 937 2HZ LYS 124 2HZ LYS 124 14.290 -12.466 -1.146 938 3HZ LYS 124 3HZ LYS 124 12.936 -11.769 -0.540 939 H LEU 125 H LEU 125 12.441 -10.608 4.643 940 HA LEU 125 HA LEU 125 15.192 -10.137 3.835 941 1HB LEU 125 1HB LEU 125 12.934 -8.293 4.678 942 2HB LEU 125 2HB LEU 125 14.536 -7.690 4.463 943 HG LEU 125 HG LEU 125 13.098 -9.169 2.224 944 1HD1 LEU 125 1HD1 LEU 125 13.294 -6.168 2.761 945 2HD1 LEU 125 2HD1 LEU 125 12.727 -6.909 1.251 946 3HD1 LEU 125 3HD1 LEU 125 11.822 -7.144 2.743 947 1HD2 LEU 125 1HD2 LEU 125 15.612 -7.455 2.471 948 2HD2 LEU 125 2HD2 LEU 125 15.502 -9.146 1.933 949 3HD2 LEU 125 3HD2 LEU 125 14.874 -7.862 0.900 950 H ASN 126 H ASN 126 16.575 -8.819 5.042 951 HA ASN 126 HA ASN 126 16.825 -9.647 7.843 952 1HB ASN 126 1HB ASN 126 19.193 -8.766 7.365 953 2HB ASN 126 2HB ASN 126 18.701 -10.234 6.543 954 1HD2 ASN 126 1HD2 ASN 126 19.393 -10.208 4.468 955 2HD2 ASN 126 2HD2 ASN 126 19.881 -8.761 3.631 956 H TRP 127 H TRP 127 15.571 -6.989 6.243 957 HA TRP 127 HA TRP 127 16.119 -5.239 8.592 958 1HB TRP 127 1HB TRP 127 16.017 -3.269 7.158 959 2HB TRP 127 2HB TRP 127 17.353 -4.300 6.720 960 HD1 TRP 127 HD1 TRP 127 16.668 -6.059 4.565 961 HE1 TRP 127 HE1 TRP 127 15.694 -5.394 2.314 962 HE3 TRP 127 HE3 TRP 127 14.802 -1.451 5.810 963 HZ2 TRP 127 HZ2 TRP 127 14.064 -3.327 1.251 964 HZ3 TRP 127 HZ3 TRP 127 13.675 -0.081 4.077 965 HH2 TRP 127 HH2 TRP 127 13.285 -0.992 1.803 966 H ALA 128 H ALA 128 14.253 -3.356 8.328 967 HA ALA 128 HA ALA 128 11.735 -4.561 7.437 968 1HB ALA 128 1HB ALA 128 11.929 -2.929 9.994 969 2HB ALA 128 2HB ALA 128 11.712 -4.695 9.934 970 3HB ALA 128 3HB ALA 128 10.482 -3.610 9.258 971 HA PRO 129 HA PRO 129 11.950 -0.348 5.561 972 1HB PRO 129 1HB PRO 129 9.312 -1.098 4.459 973 2HB PRO 129 2HB PRO 129 10.786 -0.615 3.582 974 1HG PRO 129 1HG PRO 129 9.835 -3.199 3.531 975 2HG PRO 129 2HG PRO 129 11.587 -2.838 3.527 976 1HD PRO 129 1HD PRO 129 9.910 -3.603 5.890 977 2HD PRO 129 2HD PRO 129 11.521 -4.210 5.354 978 H SER 130 H SER 130 10.378 1.528 5.917 979 HA SER 130 HA SER 130 8.791 1.424 8.312 980 1HB SER 130 1HB SER 130 8.013 3.309 6.139 981 2HB SER 130 2HB SER 130 8.380 3.647 7.826 982 HG SER 130 HG SER 130 10.596 3.669 7.270 983 H MET 131 H MET 131 6.339 1.187 8.370 984 HA MET 131 HA MET 131 5.168 -0.432 6.396 985 1HB MET 131 1HB MET 131 4.112 1.525 8.426 986 2HB MET 131 2HB MET 131 3.049 0.707 7.286 987 1HG MET 131 1HG MET 131 3.093 -0.468 9.297 988 2HG MET 131 2HG MET 131 3.862 -1.488 8.131 989 1HE MET 131 1HE MET 131 6.590 -1.735 7.995 990 2HE MET 131 2HE MET 131 7.259 -2.285 9.548 991 3HE MET 131 3HE MET 131 5.746 -2.990 8.935 992 H ASP 132 H ASP 132 5.233 3.194 6.729 993 HA ASP 132 HA ASP 132 3.685 3.808 4.527 994 1HB ASP 132 1HB ASP 132 6.064 5.270 5.694 995 2HB ASP 132 2HB ASP 132 5.049 5.934 4.409 996 H VAL 133 H VAL 133 7.185 2.894 4.448 997 HA VAL 133 HA VAL 133 7.369 3.234 1.585 998 HB VAL 133 HB VAL 133 9.127 1.674 3.519 999 1HG1 VAL 133 1HG1 VAL 133 9.536 2.397 0.574 1000 2HG1 VAL 133 2HG1 VAL 133 10.855 1.885 1.676 1001 3HG1 VAL 133 3HG1 VAL 133 9.513 0.787 1.294 1002 1HG2 VAL 133 1HG2 VAL 133 9.410 4.438 2.266 1003 2HG2 VAL 133 2HG2 VAL 133 9.161 4.087 3.984 1004 3HG2 VAL 133 3HG2 VAL 133 10.667 3.603 3.192 1005 H ALA 134 H ALA 134 7.098 0.205 3.651 1006 HA ALA 134 HA ALA 134 6.914 -1.408 1.321 1007 1HB ALA 134 1HB ALA 134 7.604 -2.253 3.540 1008 2HB ALA 134 2HB ALA 134 5.919 -2.092 4.111 1009 3HB ALA 134 3HB ALA 134 6.335 -3.216 2.790 1010 H VAL 135 H VAL 135 4.409 0.498 2.769 1011 HA VAL 135 HA VAL 135 2.252 -0.936 1.330 1012 HB VAL 135 HB VAL 135 2.208 1.540 3.109 1013 1HG1 VAL 135 1HG1 VAL 135 0.369 1.579 1.476 1014 2HG1 VAL 135 2HG1 VAL 135 -0.110 -0.061 1.947 1015 3HG1 VAL 135 3HG1 VAL 135 -0.244 1.286 3.108 1016 1HG2 VAL 135 1HG2 VAL 135 2.672 -0.635 4.365 1017 2HG2 VAL 135 2HG2 VAL 135 1.168 0.141 4.820 1018 3HG2 VAL 135 3HG2 VAL 135 1.152 -1.266 3.718 1019 H GLY 136 H GLY 136 4.009 2.268 1.330 1020 1HA GLY 136 1HA GLY 136 4.326 3.815 -0.218 1021 2HA GLY 136 2HA GLY 136 2.730 3.517 -0.826 1022 H GLU 137 H GLU 137 5.471 1.177 -0.825 1023 HA GLU 137 HA GLU 137 6.039 1.666 -3.609 1024 1HB GLU 137 1HB GLU 137 6.993 -0.496 -1.695 1025 2HB GLU 137 2HB GLU 137 7.562 -0.265 -3.350 1026 1HG GLU 137 1HG GLU 137 8.122 2.214 -2.576 1027 2HG GLU 137 2HG GLU 137 7.838 1.655 -0.978 1028 H ILE 138 H ILE 138 4.243 -1.013 -1.897 1029 HA ILE 138 HA ILE 138 3.981 -2.399 -4.402 1030 HB ILE 138 HB ILE 138 3.780 -3.625 -2.430 1031 1HG1 ILE 138 1HG1 ILE 138 1.012 -3.718 -3.644 1032 2HG1 ILE 138 2HG1 ILE 138 2.461 -4.356 -4.429 1033 1HG2 ILE 138 1HG2 ILE 138 2.809 -1.927 -0.892 1034 2HG2 ILE 138 2HG2 ILE 138 1.233 -2.116 -1.673 1035 3HG2 ILE 138 3HG2 ILE 138 1.958 -3.448 -0.756 1036 1HD1 ILE 138 1HD1 ILE 138 1.507 -5.378 -1.715 1037 2HD1 ILE 138 2HD1 ILE 138 1.025 -6.078 -3.256 1038 3HD1 ILE 138 3HD1 ILE 138 2.719 -6.111 -2.780 1039 H LEU 139 H LEU 139 2.139 0.159 -2.850 1040 HA LEU 139 HA LEU 139 -0.098 0.201 -4.692 1041 1HB LEU 139 1HB LEU 139 1.259 2.378 -3.060 1042 2HB LEU 139 2HB LEU 139 -0.140 2.633 -3.958 1043 HG LEU 139 HG LEU 139 0.056 0.567 -1.695 1044 1HD1 LEU 139 1HD1 LEU 139 -1.165 3.353 -1.683 1045 2HD1 LEU 139 2HD1 LEU 139 -1.251 2.151 -0.356 1046 3HD1 LEU 139 3HD1 LEU 139 0.307 2.842 -0.840 1047 1HD2 LEU 139 1HD2 LEU 139 -2.345 1.589 -3.194 1048 2HD2 LEU 139 2HD2 LEU 139 -1.707 -0.057 -3.226 1049 3HD2 LEU 139 3HD2 LEU 139 -2.410 0.583 -1.734 1050 H ALA 140 H ALA 140 3.049 1.756 -4.643 1051 HA ALA 140 HA ALA 140 2.802 3.177 -7.066 1052 1HB ALA 140 1HB ALA 140 4.782 3.289 -5.535 1053 2HB ALA 140 2HB ALA 140 5.359 1.766 -6.260 1054 3HB ALA 140 3HB ALA 140 5.195 3.202 -7.250 1055 H GLU 141 H GLU 141 2.738 -0.349 -6.839 1056 HA GLU 141 HA GLU 141 3.339 -0.532 -9.748 1057 1HB GLU 141 1HB GLU 141 4.171 -2.068 -7.307 1058 2HB GLU 141 2HB GLU 141 4.024 -2.915 -8.859 1059 1HG GLU 141 1HG GLU 141 5.826 -1.867 -9.791 1060 2HG GLU 141 2HG GLU 141 5.381 -0.334 -9.061 1061 H VAL 142 H VAL 142 1.317 -2.044 -7.211 1062 HA VAL 142 HA VAL 142 0.410 -4.041 -8.968 1063 HB VAL 142 HB VAL 142 -0.160 -3.110 -6.181 1064 1HG1 VAL 142 1HG1 VAL 142 -1.977 -5.076 -7.560 1065 2HG1 VAL 142 2HG1 VAL 142 -1.770 -4.913 -5.802 1066 3HG1 VAL 142 3HG1 VAL 142 -2.411 -3.544 -6.749 1067 1HG2 VAL 142 1HG2 VAL 142 1.710 -4.606 -6.757 1068 2HG2 VAL 142 2HG2 VAL 142 0.552 -5.420 -5.693 1069 3HG2 VAL 142 3HG2 VAL 142 0.579 -5.791 -7.431 No H/Q in entry = 1069 Start of MODEL 6 1 H SER 1 H SER 1 7.387 21.162 9.311 2 HA SER 1 HA SER 1 6.003 21.937 11.143 3 1HB SER 1 1HB SER 1 3.857 21.449 9.993 4 2HB SER 1 2HB SER 1 4.127 19.720 10.233 5 HG SER 1 HG SER 1 3.992 20.097 12.512 6 H GLN 2 H GLN 2 6.792 21.270 13.007 7 HA GLN 2 HA GLN 2 8.244 18.772 13.259 8 1HB GLN 2 1HB GLN 2 7.435 21.014 15.150 9 2HB GLN 2 2HB GLN 2 8.371 19.612 15.681 10 1HG GLN 2 1HG GLN 2 10.200 20.099 14.216 11 2HG GLN 2 2HG GLN 2 9.274 21.265 13.273 12 1HE2 GLN 2 1HE2 GLN 2 8.616 23.307 14.336 13 2HE2 GLN 2 2HE2 GLN 2 9.629 23.971 15.617 14 H GLU 3 H GLU 3 7.783 17.205 14.825 15 HA GLU 3 HA GLU 3 6.629 15.370 15.328 16 1HB GLU 3 1HB GLU 3 5.347 17.521 16.913 17 2HB GLU 3 2HB GLU 3 5.011 15.799 17.220 18 1HG GLU 3 1HG GLU 3 7.464 15.396 17.482 19 2HG GLU 3 2HG GLU 3 7.748 17.131 17.319 20 H VAL 4 H VAL 4 5.827 16.026 12.824 21 HA VAL 4 HA VAL 4 3.071 14.876 12.831 22 HB VAL 4 HB VAL 4 4.130 16.447 10.482 23 1HG1 VAL 4 1HG1 VAL 4 2.110 14.958 10.200 24 2HG1 VAL 4 2HG1 VAL 4 1.299 15.912 11.480 25 3HG1 VAL 4 3HG1 VAL 4 1.764 16.666 9.941 26 1HG2 VAL 4 1HG2 VAL 4 2.752 17.568 12.929 27 2HG2 VAL 4 2HG2 VAL 4 4.209 18.119 12.079 28 3HG2 VAL 4 3HG2 VAL 4 2.623 18.331 11.331 29 H MET 5 H MET 5 5.007 13.133 13.311 30 HA MET 5 HA MET 5 4.987 11.487 10.902 31 1HB MET 5 1HB MET 5 7.417 11.636 12.737 32 2HB MET 5 2HB MET 5 7.166 10.592 11.326 33 1HG MET 5 1HG MET 5 6.867 12.743 9.991 34 2HG MET 5 2HG MET 5 7.567 13.581 11.363 35 1HE MET 5 1HE MET 5 9.309 14.562 9.727 36 2HE MET 5 2HE MET 5 10.502 13.623 8.792 37 3HE MET 5 3HE MET 5 8.782 13.594 8.341 38 H LYS 6 H LYS 6 3.047 11.678 12.933 39 HA LYS 6 HA LYS 6 3.144 9.431 14.636 40 1HB LYS 6 1HB LYS 6 1.306 11.474 13.730 41 2HB LYS 6 2HB LYS 6 0.582 9.949 13.425 42 1HG LYS 6 1HG LYS 6 1.057 9.313 15.839 43 2HG LYS 6 2HG LYS 6 1.802 10.910 16.030 44 1HD LYS 6 1HD LYS 6 -0.346 11.998 15.549 45 2HD LYS 6 2HD LYS 6 -1.133 10.429 15.358 46 1HE LYS 6 1HE LYS 6 0.415 10.859 17.897 47 2HE LYS 6 2HE LYS 6 -1.018 11.865 17.702 48 1HZ LYS 6 1HZ LYS 6 -2.308 9.860 17.361 49 2HZ LYS 6 2HZ LYS 6 -0.993 8.908 17.617 50 3HZ LYS 6 3HZ LYS 6 -1.590 9.841 18.827 51 H ASN 7 H ASN 7 1.561 7.664 14.066 52 HA ASN 7 HA ASN 7 2.852 5.968 12.229 53 1HB ASN 7 1HB ASN 7 1.361 5.103 13.949 54 2HB ASN 7 2HB ASN 7 -0.050 5.776 13.095 55 1HD2 ASN 7 1HD2 ASN 7 -0.558 4.827 10.957 56 2HD2 ASN 7 2HD2 ASN 7 0.131 3.263 10.496 57 H LEU 8 H LEU 8 2.692 5.587 10.255 58 HA LEU 8 HA LEU 8 2.569 5.972 8.040 59 1HB LEU 8 1HB LEU 8 0.899 4.446 8.415 60 2HB LEU 8 2HB LEU 8 -0.308 5.634 8.845 61 HG LEU 8 HG LEU 8 -0.455 4.488 6.609 62 1HD1 LEU 8 1HD1 LEU 8 -1.550 6.709 7.471 63 2HD1 LEU 8 2HD1 LEU 8 -0.527 7.459 6.222 64 3HD1 LEU 8 3HD1 LEU 8 -1.713 6.190 5.829 65 1HD2 LEU 8 1HD2 LEU 8 1.966 4.763 6.001 66 2HD2 LEU 8 2HD2 LEU 8 0.851 5.315 4.770 67 3HD2 LEU 8 3HD2 LEU 8 1.683 6.500 5.760 68 H SER 9 H SER 9 3.537 7.751 7.475 69 HA SER 9 HA SER 9 2.407 10.399 7.857 70 1HB SER 9 1HB SER 9 4.936 9.256 6.604 71 2HB SER 9 2HB SER 9 4.580 10.989 6.618 72 HG SER 9 HG SER 9 4.428 10.913 8.849 73 H LEU 10 H LEU 10 2.138 8.093 5.268 74 HA LEU 10 HA LEU 10 1.620 10.080 3.220 75 1HB LEU 10 1HB LEU 10 1.034 7.149 3.458 76 2HB LEU 10 2HB LEU 10 0.245 8.075 2.189 77 HG LEU 10 HG LEU 10 3.209 7.602 2.535 78 1HD1 LEU 10 1HD1 LEU 10 1.191 6.629 0.496 79 2HD1 LEU 10 2HD1 LEU 10 2.921 6.714 0.123 80 3HD1 LEU 10 3HD1 LEU 10 2.400 5.715 1.447 81 1HD2 LEU 10 1HD2 LEU 10 1.714 9.485 0.662 82 2HD2 LEU 10 2HD2 LEU 10 3.097 9.835 1.724 83 3HD2 LEU 10 3HD2 LEU 10 3.323 8.890 0.266 84 H ASN 11 H ASN 11 -0.650 10.256 2.208 85 HA ASN 11 HA ASN 11 -2.605 10.764 4.413 86 1HB ASN 11 1HB ASN 11 -1.790 12.630 2.872 87 2HB ASN 11 2HB ASN 11 -2.672 11.849 1.589 88 1HD2 ASN 11 1HD2 ASN 11 -3.453 14.379 2.119 89 2HD2 ASN 11 2HD2 ASN 11 -5.001 14.391 2.890 90 H PHE 12 H PHE 12 -2.781 8.233 4.254 91 HA PHE 12 HA PHE 12 -4.162 7.094 1.956 92 1HB PHE 12 1HB PHE 12 -3.508 6.163 4.755 93 2HB PHE 12 2HB PHE 12 -4.639 5.302 3.766 94 HD1 PHE 12 HD1 PHE 12 -4.010 3.814 2.071 95 HD2 PHE 12 HD2 PHE 12 -1.057 6.383 3.857 96 HE1 PHE 12 HE1 PHE 12 -2.192 2.585 0.875 97 HE2 PHE 12 HE2 PHE 12 0.715 5.213 2.569 98 HZ PHE 12 HZ PHE 12 0.156 3.326 1.087 99 H GLY 13 H GLY 13 -5.010 8.408 5.159 100 1HA GLY 13 1HA GLY 13 -6.965 9.336 5.901 101 2HA GLY 13 2HA GLY 13 -7.588 7.719 5.537 102 H LYS 14 H LYS 14 -6.803 10.784 3.784 103 HA LYS 14 HA LYS 14 -9.470 11.159 2.868 104 1HB LYS 14 1HB LYS 14 -6.786 12.342 2.309 105 2HB LYS 14 2HB LYS 14 -7.967 12.560 1.041 106 1HG LYS 14 1HG LYS 14 -8.900 13.145 3.842 107 2HG LYS 14 2HG LYS 14 -7.640 14.200 3.225 108 1HD LYS 14 1HD LYS 14 -10.209 13.675 1.673 109 2HD LYS 14 2HD LYS 14 -10.024 14.980 2.862 110 1HE LYS 14 1HE LYS 14 -8.052 15.844 1.633 111 2HE LYS 14 2HE LYS 14 -8.258 14.606 0.399 112 1HZ LYS 14 1HZ LYS 14 -10.259 16.701 1.020 113 2HZ LYS 14 2HZ LYS 14 -9.180 16.746 -0.225 114 3HZ LYS 14 3HZ LYS 14 -10.358 15.614 -0.198 115 H ALA 15 H ALA 15 -6.671 9.741 1.098 116 HA ALA 15 HA ALA 15 -7.989 9.298 -1.327 117 1HB ALA 15 1HB ALA 15 -5.885 7.498 -0.003 118 2HB ALA 15 2HB ALA 15 -5.525 8.976 -0.905 119 3HB ALA 15 3HB ALA 15 -6.249 7.580 -1.735 120 H LEU 16 H LEU 16 -8.010 7.204 1.585 121 HA LEU 16 HA LEU 16 -9.585 5.037 0.465 122 1HB LEU 16 1HB LEU 16 -8.933 6.038 3.283 123 2HB LEU 16 2HB LEU 16 -10.073 4.736 3.045 124 HG LEU 16 HG LEU 16 -7.324 4.502 1.812 125 1HD1 LEU 16 1HD1 LEU 16 -6.964 5.109 4.205 126 2HD1 LEU 16 2HD1 LEU 16 -8.014 3.761 4.685 127 3HD1 LEU 16 3HD1 LEU 16 -6.492 3.434 3.832 128 1HD2 LEU 16 1HD2 LEU 16 -9.165 2.780 1.387 129 2HD2 LEU 16 2HD2 LEU 16 -7.692 2.123 2.124 130 3HD2 LEU 16 3HD2 LEU 16 -9.123 2.399 3.115 131 H ASP 17 H ASP 17 -10.296 7.923 2.498 132 HA ASP 17 HA ASP 17 -13.085 7.634 2.747 133 1HB ASP 17 1HB ASP 17 -11.502 9.109 4.055 134 2HB ASP 17 2HB ASP 17 -11.401 10.163 2.654 135 H GLU 18 H GLU 18 -11.217 8.837 -0.021 136 HA GLU 18 HA GLU 18 -13.711 9.607 -1.418 137 1HB GLU 18 1HB GLU 18 -10.899 9.299 -2.599 138 2HB GLU 18 2HB GLU 18 -12.275 10.133 -3.301 139 1HG GLU 18 1HG GLU 18 -11.780 11.320 -0.702 140 2HG GLU 18 2HG GLU 18 -10.253 11.183 -1.562 141 H CYS 19 H CYS 19 -11.245 6.947 -1.681 142 HA CYS 19 HA CYS 19 -12.589 5.900 -3.968 143 1HB CYS 19 1HB CYS 19 -10.245 5.484 -3.152 144 2HB CYS 19 2HB CYS 19 -10.905 4.182 -2.160 145 H LYS 20 H LYS 20 -12.934 5.255 -0.555 146 HA LYS 20 HA LYS 20 -14.762 3.076 -0.697 147 1HB LYS 20 1HB LYS 20 -15.425 3.582 1.511 148 2HB LYS 20 2HB LYS 20 -13.717 3.962 1.376 149 1HG LYS 20 1HG LYS 20 -14.320 5.811 2.491 150 2HG LYS 20 2HG LYS 20 -14.566 6.409 0.855 151 1HD LYS 20 1HD LYS 20 -16.369 7.104 2.261 152 2HD LYS 20 2HD LYS 20 -17.036 5.931 1.099 153 1HE LYS 20 1HE LYS 20 -17.053 4.171 2.782 154 2HE LYS 20 2HE LYS 20 -15.982 5.095 3.852 155 1HZ LYS 20 1HZ LYS 20 -18.773 5.824 3.240 156 2HZ LYS 20 2HZ LYS 20 -18.275 5.111 4.606 157 3HZ LYS 20 3HZ LYS 20 -17.762 6.615 4.294 158 H LYS 21 H LYS 21 -15.265 6.520 -1.548 159 HA LYS 21 HA LYS 21 -18.094 5.990 -1.891 160 1HB LYS 21 1HB LYS 21 -16.457 8.413 -2.785 161 2HB LYS 21 2HB LYS 21 -18.208 8.248 -2.783 162 1HG LYS 21 1HG LYS 21 -18.114 7.804 -0.302 163 2HG LYS 21 2HG LYS 21 -16.400 8.163 -0.321 164 1HD LYS 21 1HD LYS 21 -16.656 10.405 -0.640 165 2HD LYS 21 2HD LYS 21 -18.191 10.266 -1.517 166 1HE LYS 21 1HE LYS 21 -17.921 9.538 1.426 167 2HE LYS 21 2HE LYS 21 -18.332 11.176 0.889 168 1HZ LYS 21 1HZ LYS 21 -19.959 8.969 -0.157 169 2HZ LYS 21 2HZ LYS 21 -20.199 9.473 1.391 170 3HZ LYS 21 3HZ LYS 21 -20.350 10.539 0.175 171 H GLU 22 H GLU 22 -15.127 6.275 -3.903 172 HA GLU 22 HA GLU 22 -16.330 6.205 -6.434 173 1HB GLU 22 1HB GLU 22 -13.634 5.047 -5.640 174 2HB GLU 22 2HB GLU 22 -14.195 5.252 -7.295 175 1HG GLU 22 1HG GLU 22 -14.455 7.672 -6.953 176 2HG GLU 22 2HG GLU 22 -13.810 7.524 -5.315 177 H MET 23 H MET 23 -15.442 3.385 -4.357 178 HA MET 23 HA MET 23 -16.726 1.603 -6.332 179 1HB MET 23 1HB MET 23 -15.394 0.239 -4.157 180 2HB MET 23 2HB MET 23 -15.259 0.086 -5.857 181 1HG MET 23 1HG MET 23 -13.696 2.153 -5.787 182 2HG MET 23 2HG MET 23 -13.665 1.860 -4.055 183 1HE MET 23 1HE MET 23 -13.350 -0.164 -7.462 184 2HE MET 23 2HE MET 23 -12.125 1.127 -7.418 185 3HE MET 23 3HE MET 23 -11.621 -0.576 -7.366 186 H THR 24 H THR 24 -17.940 3.374 -3.994 187 HA THR 24 HA THR 24 -19.169 3.176 -2.104 188 HB THR 24 HB THR 24 -20.764 1.270 -3.853 189 HG1 THR 24 HG1 THR 24 -20.230 3.245 -4.948 190 1HG2 THR 24 1HG2 THR 24 -21.539 1.577 -1.483 191 2HG2 THR 24 2HG2 THR 24 -21.545 3.327 -1.743 192 3HG2 THR 24 3HG2 THR 24 -22.679 2.285 -2.645 193 H LEU 25 H LEU 25 -17.250 2.115 -1.224 194 HA LEU 25 HA LEU 25 -17.256 -0.832 -0.800 195 1HB LEU 25 1HB LEU 25 -15.408 1.147 0.504 196 2HB LEU 25 2HB LEU 25 -15.209 -0.576 0.438 197 HG LEU 25 HG LEU 25 -15.162 0.959 -2.187 198 1HD1 LEU 25 1HD1 LEU 25 -13.284 1.462 -0.118 199 2HD1 LEU 25 2HD1 LEU 25 -12.504 0.312 -1.186 200 3HD1 LEU 25 3HD1 LEU 25 -13.124 1.819 -1.847 201 1HD2 LEU 25 1HD2 LEU 25 -15.355 -1.514 -2.253 202 2HD2 LEU 25 2HD2 LEU 25 -13.787 -0.976 -2.879 203 3HD2 LEU 25 3HD2 LEU 25 -13.893 -1.656 -1.260 204 H THR 26 H THR 26 -16.711 -1.360 1.634 205 HA THR 26 HA THR 26 -19.036 -0.557 3.230 206 HB THR 26 HB THR 26 -17.727 -1.975 5.001 207 HG1 THR 26 HG1 THR 26 -15.723 -2.162 3.955 208 1HG2 THR 26 1HG2 THR 26 -19.756 -2.694 3.737 209 2HG2 THR 26 2HG2 THR 26 -18.712 -3.240 2.401 210 3HG2 THR 26 3HG2 THR 26 -18.612 -4.020 3.987 211 H ASP 27 H ASP 27 -18.830 0.464 5.389 212 HA ASP 27 HA ASP 27 -17.249 2.868 5.067 213 1HB ASP 27 1HB ASP 27 -19.586 2.554 6.210 214 2HB ASP 27 2HB ASP 27 -18.648 2.144 7.651 215 H ALA 28 H ALA 28 -17.157 0.091 7.207 216 HA ALA 28 HA ALA 28 -15.094 0.718 8.940 217 1HB ALA 28 1HB ALA 28 -16.702 -1.134 9.205 218 2HB ALA 28 2HB ALA 28 -15.042 -1.725 9.354 219 3HB ALA 28 3HB ALA 28 -15.936 -1.993 7.844 220 H ILE 29 H ILE 29 -14.490 0.552 5.685 221 HA ILE 29 HA ILE 29 -11.962 -0.889 5.419 222 HB ILE 29 HB ILE 29 -11.781 0.148 3.360 223 1HG1 ILE 29 1HG1 ILE 29 -13.803 1.737 2.657 224 2HG1 ILE 29 2HG1 ILE 29 -13.811 2.142 4.376 225 1HG2 ILE 29 1HG2 ILE 29 -14.627 -0.729 3.969 226 2HG2 ILE 29 2HG2 ILE 29 -13.982 -0.520 2.355 227 3HG2 ILE 29 3HG2 ILE 29 -13.269 -1.727 3.446 228 1HD1 ILE 29 1HD1 ILE 29 -11.246 2.432 4.085 229 2HD1 ILE 29 2HD1 ILE 29 -11.572 2.411 2.354 230 3HD1 ILE 29 3HD1 ILE 29 -12.300 3.686 3.370 231 H ASN 30 H ASN 30 -12.764 2.331 6.690 232 HA ASN 30 HA ASN 30 -10.052 3.232 6.615 233 1HB ASN 30 1HB ASN 30 -12.253 4.556 7.127 234 2HB ASN 30 2HB ASN 30 -11.971 4.078 8.795 235 1HD2 ASN 30 1HD2 ASN 30 -10.873 6.172 6.169 236 2HD2 ASN 30 2HD2 ASN 30 -9.681 7.032 7.103 237 H GLU 31 H GLU 31 -11.740 1.117 8.812 238 HA GLU 31 HA GLU 31 -9.520 1.064 10.790 239 1HB GLU 31 1HB GLU 31 -12.158 -0.433 10.604 240 2HB GLU 31 2HB GLU 31 -10.972 -0.656 11.898 241 1HG GLU 31 1HG GLU 31 -11.231 1.728 12.530 242 2HG GLU 31 2HG GLU 31 -12.457 1.930 11.269 243 H ASP 32 H ASP 32 -11.277 -1.222 8.656 244 HA ASP 32 HA ASP 32 -9.916 -3.570 9.178 245 1HB ASP 32 1HB ASP 32 -12.011 -3.358 7.941 246 2HB ASP 32 2HB ASP 32 -11.183 -2.600 6.585 247 H PHE 33 H PHE 33 -9.179 -1.179 6.665 248 HA PHE 33 HA PHE 33 -7.078 -2.487 5.334 249 1HB PHE 33 1HB PHE 33 -8.368 -0.510 4.555 250 2HB PHE 33 2HB PHE 33 -7.641 0.472 5.829 251 HD1 PHE 33 HD1 PHE 33 -5.595 1.613 5.509 252 HD2 PHE 33 HD2 PHE 33 -6.672 -1.606 2.857 253 HE1 PHE 33 HE1 PHE 33 -3.654 2.151 4.087 254 HE2 PHE 33 HE2 PHE 33 -4.751 -1.023 1.398 255 HZ PHE 33 HZ PHE 33 -3.209 0.814 2.026 256 H TYR 34 H TYR 34 -6.976 -0.174 8.069 257 HA TYR 34 HA TYR 34 -4.081 -0.252 8.292 258 1HB TYR 34 1HB TYR 34 -6.317 0.869 10.020 259 2HB TYR 34 2HB TYR 34 -4.653 0.897 10.536 260 HD1 TYR 34 HD1 TYR 34 -6.859 1.995 7.720 261 HD2 TYR 34 HD2 TYR 34 -3.251 2.736 9.960 262 HE1 TYR 34 HE1 TYR 34 -6.650 4.182 6.631 263 HE2 TYR 34 HE2 TYR 34 -3.012 4.943 8.826 264 HH TYR 34 HH TYR 34 -5.661 6.332 7.160 265 H ASN 35 H ASN 35 -6.822 -1.858 9.802 266 HA ASN 35 HA ASN 35 -5.496 -2.960 12.052 267 1HB ASN 35 1HB ASN 35 -8.062 -3.624 10.570 268 2HB ASN 35 2HB ASN 35 -7.474 -4.712 11.811 269 1HD2 ASN 35 1HD2 ASN 35 -9.955 -3.499 12.212 270 2HD2 ASN 35 2HD2 ASN 35 -9.737 -2.408 13.575 271 H PHE 36 H PHE 36 -6.009 -4.266 8.806 272 HA PHE 36 HA PHE 36 -5.368 -6.849 8.939 273 1HB PHE 36 1HB PHE 36 -5.847 -5.637 6.859 274 2HB PHE 36 2HB PHE 36 -4.389 -4.692 7.026 275 HD1 PHE 36 HD1 PHE 36 -3.426 -5.022 4.926 276 HD2 PHE 36 HD2 PHE 36 -4.568 -8.458 7.281 277 HE1 PHE 36 HE1 PHE 36 -2.307 -6.515 3.308 278 HE2 PHE 36 HE2 PHE 36 -3.485 -9.937 5.628 279 HZ PHE 36 HZ PHE 36 -2.324 -8.974 3.647 280 H TRP 37 H TRP 37 -2.897 -4.274 8.901 281 HA TRP 37 HA TRP 37 -0.649 -5.958 8.759 282 1HB TRP 37 1HB TRP 37 -0.699 -3.242 10.074 283 2HB TRP 37 2HB TRP 37 0.618 -3.981 9.165 284 HD1 TRP 37 HD1 TRP 37 -1.033 -4.662 6.478 285 HE1 TRP 37 HE1 TRP 37 -1.853 -2.827 4.966 286 HE3 TRP 37 HE3 TRP 37 -0.882 -0.781 9.821 287 HZ2 TRP 37 HZ2 TRP 37 -2.563 -0.004 5.215 288 HZ3 TRP 37 HZ3 TRP 37 -1.598 1.482 9.140 289 HH2 TRP 37 HH2 TRP 37 -2.487 1.887 6.840 290 H LYS 38 H LYS 38 -2.522 -4.934 11.592 291 HA LYS 38 HA LYS 38 -0.428 -5.142 13.572 292 1HB LYS 38 1HB LYS 38 -3.431 -5.399 13.924 293 2HB LYS 38 2HB LYS 38 -2.274 -5.101 15.190 294 1HG LYS 38 1HG LYS 38 -1.898 -2.886 14.437 295 2HG LYS 38 2HG LYS 38 -2.744 -3.154 12.893 296 1HD LYS 38 1HD LYS 38 -4.868 -3.510 14.013 297 2HD LYS 38 2HD LYS 38 -4.113 -3.473 15.592 298 1HE LYS 38 1HE LYS 38 -3.376 -1.075 14.170 299 2HE LYS 38 2HE LYS 38 -5.135 -1.283 14.029 300 1HZ LYS 38 1HZ LYS 38 -3.688 -1.429 16.598 301 2HZ LYS 38 2HZ LYS 38 -4.304 -0.037 15.997 302 3HZ LYS 38 3HZ LYS 38 -5.325 -1.292 16.360 303 H GLU 39 H GLU 39 0.539 -7.106 14.000 304 HA GLU 39 HA GLU 39 -0.190 -9.404 12.773 305 1HB GLU 39 1HB GLU 39 1.439 -9.018 15.323 306 2HB GLU 39 2HB GLU 39 1.224 -10.593 14.556 307 1HG GLU 39 1HG GLU 39 3.243 -9.735 13.689 308 2HG GLU 39 2HG GLU 39 2.011 -9.691 12.412 309 H GLY 40 H GLY 40 -1.437 -11.050 13.001 310 1HA GLY 40 1HA GLY 40 -2.988 -11.543 15.478 311 2HA GLY 40 2HA GLY 40 -2.674 -12.717 14.212 312 H TYR 41 H TYR 41 -3.545 -9.652 12.861 313 HA TYR 41 HA TYR 41 -6.475 -10.035 12.975 314 1HB TYR 41 1HB TYR 41 -4.621 -7.919 12.179 315 2HB TYR 41 2HB TYR 41 -5.801 -8.193 10.966 316 HD1 TYR 41 HD1 TYR 41 -5.163 -6.268 13.678 317 HD2 TYR 41 HD2 TYR 41 -8.358 -8.612 12.096 318 HE1 TYR 41 HE1 TYR 41 -6.711 -4.925 15.005 319 HE2 TYR 41 HE2 TYR 41 -9.984 -7.147 13.205 320 HH TYR 41 HH TYR 41 -9.028 -4.583 15.562 321 H GLU 42 H GLU 42 -7.134 -11.887 11.941 322 HA GLU 42 HA GLU 42 -6.138 -12.624 9.335 323 1HB GLU 42 1HB GLU 42 -7.057 -14.182 11.162 324 2HB GLU 42 2HB GLU 42 -8.664 -13.564 10.759 325 1HG GLU 42 1HG GLU 42 -8.287 -14.379 8.389 326 2HG GLU 42 2HG GLU 42 -6.726 -15.017 8.880 327 H ILE 43 H ILE 43 -6.713 -10.032 9.186 328 HA ILE 43 HA ILE 43 -9.277 -9.498 7.838 329 HB ILE 43 HB ILE 43 -6.709 -7.951 7.890 330 1HG1 ILE 43 1HG1 ILE 43 -7.512 -7.552 10.009 331 2HG1 ILE 43 2HG1 ILE 43 -8.381 -6.335 9.148 332 1HG2 ILE 43 1HG2 ILE 43 -9.403 -7.218 6.733 333 2HG2 ILE 43 2HG2 ILE 43 -8.043 -6.116 6.894 334 3HG2 ILE 43 3HG2 ILE 43 -7.922 -7.522 5.833 335 1HD1 ILE 43 1HD1 ILE 43 -10.371 -7.853 9.059 336 2HD1 ILE 43 2HD1 ILE 43 -9.455 -8.925 10.171 337 3HD1 ILE 43 3HD1 ILE 43 -9.875 -7.274 10.663 338 H LYS 44 H LYS 44 -9.482 -11.036 6.191 339 HA LYS 44 HA LYS 44 -7.574 -10.749 3.972 340 1HB LYS 44 1HB LYS 44 -8.770 -13.298 5.149 341 2HB LYS 44 2HB LYS 44 -8.019 -13.257 3.566 342 1HG LYS 44 1HG LYS 44 -6.602 -12.553 6.153 343 2HG LYS 44 2HG LYS 44 -6.518 -14.110 5.333 344 1HD LYS 44 1HD LYS 44 -5.583 -12.985 3.291 345 2HD LYS 44 2HD LYS 44 -5.566 -11.456 4.152 346 1HE LYS 44 1HE LYS 44 -3.359 -12.462 4.029 347 2HE LYS 44 2HE LYS 44 -3.884 -12.222 5.693 348 1HZ LYS 44 1HZ LYS 44 -4.035 -14.809 4.279 349 2HZ LYS 44 2HZ LYS 44 -2.826 -14.353 5.308 350 3HZ LYS 44 3HZ LYS 44 -4.318 -14.503 5.908 351 H ASN 45 H ASN 45 -10.205 -9.419 4.463 352 HA ASN 45 HA ASN 45 -12.072 -10.871 2.719 353 1HB ASN 45 1HB ASN 45 -13.023 -9.504 4.540 354 2HB ASN 45 2HB ASN 45 -12.368 -8.033 3.777 355 1HD2 ASN 45 1HD2 ASN 45 -14.260 -6.962 2.860 356 2HD2 ASN 45 2HD2 ASN 45 -15.243 -7.823 1.671 357 H ARG 46 H ARG 46 -12.961 -9.845 0.838 358 HA ARG 46 HA ARG 46 -11.064 -9.405 -1.177 359 1HB ARG 46 1HB ARG 46 -13.930 -8.449 -1.388 360 2HB ARG 46 2HB ARG 46 -12.879 -9.071 -2.647 361 1HG ARG 46 1HG ARG 46 -13.071 -11.331 -1.731 362 2HG ARG 46 2HG ARG 46 -13.945 -10.762 -0.332 363 1HD ARG 46 1HD ARG 46 -15.873 -10.295 -1.414 364 2HD ARG 46 2HD ARG 46 -15.069 -9.943 -2.967 365 HE ARG 46 HE ARG 46 -14.593 -12.315 -3.243 366 1HH1 ARG 46 1HH1 ARG 46 -15.656 -14.168 -3.809 367 2HH1 ARG 46 2HH1 ARG 46 -17.321 -14.389 -3.427 368 1HH2 ARG 46 1HH2 ARG 46 -17.649 -11.308 -1.673 369 2HH2 ARG 46 2HH2 ARG 46 -18.388 -12.856 -1.955 370 H GLU 47 H GLU 47 -13.184 -7.068 0.571 371 HA GLU 47 HA GLU 47 -12.335 -4.826 -0.966 372 1HB GLU 47 1HB GLU 47 -13.943 -5.148 1.566 373 2HB GLU 47 2HB GLU 47 -13.477 -3.542 0.989 374 1HG GLU 47 1HG GLU 47 -14.558 -3.883 -1.161 375 2HG GLU 47 2HG GLU 47 -14.847 -5.577 -0.799 376 H THR 48 H THR 48 -10.742 -6.350 1.893 377 HA THR 48 HA THR 48 -9.017 -4.196 2.492 378 HB THR 48 HB THR 48 -8.199 -7.095 2.398 379 HG1 THR 48 HG1 THR 48 -9.740 -5.926 4.503 380 1HG2 THR 48 1HG2 THR 48 -6.573 -5.259 3.088 381 2HG2 THR 48 2HG2 THR 48 -7.617 -4.960 4.495 382 3HG2 THR 48 3HG2 THR 48 -6.807 -6.533 4.271 383 H GLY 49 H GLY 49 -8.996 -6.624 -0.125 384 1HA GLY 49 1HA GLY 49 -7.761 -6.808 -2.027 385 2HA GLY 49 2HA GLY 49 -6.469 -5.831 -1.303 386 H CYS 50 H CYS 50 -9.953 -5.013 -1.888 387 HA CYS 50 HA CYS 50 -9.497 -3.538 -4.258 388 1HB CYS 50 1HB CYS 50 -11.617 -2.968 -2.178 389 2HB CYS 50 2HB CYS 50 -11.627 -2.505 -3.857 390 H ALA 51 H ALA 51 -9.308 -2.574 -0.819 391 HA ALA 51 HA ALA 51 -8.923 0.166 -1.310 392 1HB ALA 51 1HB ALA 51 -7.696 0.198 0.891 393 2HB ALA 51 2HB ALA 51 -9.284 -0.567 0.961 394 3HB ALA 51 3HB ALA 51 -7.822 -1.578 0.926 395 H ILE 52 H ILE 52 -6.320 -2.336 -0.893 396 HA ILE 52 HA ILE 52 -4.139 -0.730 -1.575 397 HB ILE 52 HB ILE 52 -4.610 -3.680 -2.102 398 1HG1 ILE 52 1HG1 ILE 52 -3.275 -2.238 0.228 399 2HG1 ILE 52 2HG1 ILE 52 -4.866 -3.015 0.271 400 1HG2 ILE 52 1HG2 ILE 52 -2.681 -2.753 -3.441 401 2HG2 ILE 52 2HG2 ILE 52 -1.953 -2.185 -1.928 402 3HG2 ILE 52 3HG2 ILE 52 -2.179 -3.921 -2.238 403 1HD1 ILE 52 1HD1 ILE 52 -3.745 -5.200 -0.264 404 2HD1 ILE 52 2HD1 ILE 52 -2.187 -4.361 -0.003 405 3HD1 ILE 52 3HD1 ILE 52 -3.354 -4.492 1.321 406 H MET 53 H MET 53 -6.136 -2.766 -3.737 407 HA MET 53 HA MET 53 -4.825 -2.221 -6.123 408 1HB MET 53 1HB MET 53 -6.391 -4.081 -5.625 409 2HB MET 53 2HB MET 53 -7.702 -2.975 -5.540 410 1HG MET 53 1HG MET 53 -6.012 -3.125 -8.048 411 2HG MET 53 2HG MET 53 -7.106 -4.443 -7.673 412 1HE MET 53 1HE MET 53 -9.466 -4.032 -6.895 413 2HE MET 53 2HE MET 53 -9.686 -2.372 -6.305 414 3HE MET 53 3HE MET 53 -10.617 -2.933 -7.716 415 H CYS 54 H CYS 54 -7.620 -0.382 -4.691 416 HA CYS 54 HA CYS 54 -7.753 1.497 -6.920 417 1HB CYS 54 1HB CYS 54 -9.661 1.219 -5.430 418 2HB CYS 54 2HB CYS 54 -8.655 1.665 -4.032 419 H LEU 55 H LEU 55 -6.189 1.442 -3.669 420 HA LEU 55 HA LEU 55 -5.319 4.095 -3.770 421 1HB LEU 55 1HB LEU 55 -4.343 1.608 -2.310 422 2HB LEU 55 2HB LEU 55 -3.472 3.118 -2.119 423 HG LEU 55 HG LEU 55 -6.466 2.999 -1.669 424 1HD1 LEU 55 1HD1 LEU 55 -4.261 2.375 0.303 425 2HD1 LEU 55 2HD1 LEU 55 -5.918 2.810 0.775 426 3HD1 LEU 55 3HD1 LEU 55 -5.608 1.344 -0.157 427 1HD2 LEU 55 1HD2 LEU 55 -5.280 5.204 -1.988 428 2HD2 LEU 55 2HD2 LEU 55 -6.007 5.028 -0.375 429 3HD2 LEU 55 3HD2 LEU 55 -4.254 4.792 -0.601 430 H SER 56 H SER 56 -3.895 1.251 -5.274 431 HA SER 56 HA SER 56 -1.433 2.261 -6.086 432 1HB SER 56 1HB SER 56 -1.355 0.569 -7.614 433 2HB SER 56 2HB SER 56 -2.404 -0.080 -6.373 434 HG SER 56 HG SER 56 -4.184 0.286 -7.642 435 H THR 57 H THR 57 -4.458 3.595 -6.916 436 HA THR 57 HA THR 57 -3.218 5.071 -9.140 437 HB THR 57 HB THR 57 -4.469 3.143 -9.985 438 HG1 THR 57 HG1 THR 57 -4.207 5.055 -11.153 439 1HG2 THR 57 1HG2 THR 57 -6.886 4.480 -8.760 440 2HG2 THR 57 2HG2 THR 57 -6.964 3.257 -10.051 441 3HG2 THR 57 3HG2 THR 57 -6.264 2.821 -8.515 442 H LYS 58 H LYS 58 -3.595 5.555 -6.316 443 HA LYS 58 HA LYS 58 -4.983 8.185 -6.466 444 1HB LYS 58 1HB LYS 58 -5.059 6.057 -4.307 445 2HB LYS 58 2HB LYS 58 -5.370 7.718 -3.895 446 1HG LYS 58 1HG LYS 58 -6.952 6.514 -6.153 447 2HG LYS 58 2HG LYS 58 -7.384 6.117 -4.490 448 1HD LYS 58 1HD LYS 58 -7.612 8.455 -3.923 449 2HD LYS 58 2HD LYS 58 -7.066 8.919 -5.543 450 1HE LYS 58 1HE LYS 58 -9.468 7.138 -5.427 451 2HE LYS 58 2HE LYS 58 -9.667 8.718 -4.711 452 1HZ LYS 58 1HZ LYS 58 -8.707 8.307 -7.480 453 2HZ LYS 58 2HZ LYS 58 -10.254 8.628 -7.068 454 3HZ LYS 58 3HZ LYS 58 -9.078 9.746 -6.799 455 H LEU 59 H LEU 59 -2.093 7.269 -6.899 456 HA LEU 59 HA LEU 59 -0.526 7.799 -4.574 457 1HB LEU 59 1HB LEU 59 0.284 8.397 -7.447 458 2HB LEU 59 2HB LEU 59 1.350 8.027 -6.097 459 HG LEU 59 HG LEU 59 -0.579 6.102 -7.465 460 1HD1 LEU 59 1HD1 LEU 59 1.379 6.721 -8.848 461 2HD1 LEU 59 2HD1 LEU 59 2.465 6.184 -7.541 462 3HD1 LEU 59 3HD1 LEU 59 1.402 5.023 -8.366 463 1HD2 LEU 59 1HD2 LEU 59 -0.279 5.477 -5.085 464 2HD2 LEU 59 2HD2 LEU 59 0.423 4.313 -6.207 465 3HD2 LEU 59 3HD2 LEU 59 1.488 5.433 -5.347 466 H ASN 60 H ASN 60 -2.062 9.995 -6.842 467 HA ASN 60 HA ASN 60 -0.754 12.443 -6.223 468 1HB ASN 60 1HB ASN 60 -2.710 13.427 -7.267 469 2HB ASN 60 2HB ASN 60 -2.191 12.038 -8.212 470 1HD2 ASN 60 1HD2 ASN 60 -4.935 13.437 -7.759 471 2HD2 ASN 60 2HD2 ASN 60 -6.006 12.089 -7.427 472 H MET 61 H MET 61 -3.485 10.715 -4.776 473 HA MET 61 HA MET 61 -4.254 12.870 -2.994 474 1HB MET 61 1HB MET 61 -4.929 9.896 -3.072 475 2HB MET 61 2HB MET 61 -5.674 11.044 -1.989 476 1HG MET 61 1HG MET 61 -5.769 11.221 -5.010 477 2HG MET 61 2HG MET 61 -7.050 10.606 -3.972 478 1HE MET 61 1HE MET 61 -8.193 11.765 -2.176 479 2HE MET 61 2HE MET 61 -7.019 12.884 -1.444 480 3HE MET 61 3HE MET 61 -8.548 13.489 -2.118 481 H LEU 62 H LEU 62 -2.139 9.971 -2.769 482 HA LEU 62 HA LEU 62 -1.742 10.142 0.093 483 1HB LEU 62 1HB LEU 62 -0.140 8.825 -2.164 484 2HB LEU 62 2HB LEU 62 0.024 8.416 -0.484 485 HG LEU 62 HG LEU 62 -2.516 8.051 -2.077 486 1HD1 LEU 62 1HD1 LEU 62 -0.670 6.631 -2.874 487 2HD1 LEU 62 2HD1 LEU 62 -0.526 5.932 -1.248 488 3HD1 LEU 62 3HD1 LEU 62 -2.028 5.730 -2.200 489 1HD2 LEU 62 1HD2 LEU 62 -1.720 7.104 0.696 490 2HD2 LEU 62 2HD2 LEU 62 -2.988 8.284 0.274 491 3HD2 LEU 62 3HD2 LEU 62 -3.176 6.600 -0.178 492 H ASP 63 H ASP 63 0.054 11.115 -2.795 493 HA ASP 63 HA ASP 63 2.052 12.461 -1.042 494 1HB ASP 63 1HB ASP 63 2.676 10.336 -2.276 495 2HB ASP 63 2HB ASP 63 2.650 11.290 -3.758 496 HA PRO 64 HA PRO 64 0.146 15.857 -3.476 497 1HB PRO 64 1HB PRO 64 0.582 17.835 -1.597 498 2HB PRO 64 2HB PRO 64 -0.847 16.757 -1.583 499 1HG PRO 64 1HG PRO 64 1.737 16.492 -0.014 500 2HG PRO 64 2HG PRO 64 0.067 16.324 0.597 501 1HD PRO 64 1HD PRO 64 1.534 14.173 -0.019 502 2HD PRO 64 2HD PRO 64 -0.178 14.179 -0.454 503 H GLU 65 H GLU 65 3.251 15.653 -1.738 504 HA GLU 65 HA GLU 65 4.423 17.850 -3.223 505 1HB GLU 65 1HB GLU 65 5.719 15.658 -1.595 506 2HB GLU 65 2HB GLU 65 6.573 17.026 -2.340 507 1HG GLU 65 1HG GLU 65 5.005 18.581 -1.094 508 2HG GLU 65 2HG GLU 65 4.404 17.175 -0.205 509 H GLY 66 H GLY 66 3.717 14.552 -4.039 510 1HA GLY 66 1HA GLY 66 4.605 14.952 -6.744 511 2HA GLY 66 2HA GLY 66 3.889 13.497 -6.042 512 H ASN 67 H ASN 67 5.728 12.967 -4.002 513 HA ASN 67 HA ASN 67 8.368 12.629 -5.246 514 1HB ASN 67 1HB ASN 67 7.231 11.861 -2.541 515 2HB ASN 67 2HB ASN 67 8.788 11.325 -3.116 516 1HD2 ASN 67 1HD2 ASN 67 6.894 14.153 -2.443 517 2HD2 ASN 67 2HD2 ASN 67 8.227 15.179 -1.896 518 H LEU 68 H LEU 68 5.614 10.670 -4.124 519 HA LEU 68 HA LEU 68 6.580 8.107 -5.010 520 1HB LEU 68 1HB LEU 68 4.978 8.522 -3.144 521 2HB LEU 68 2HB LEU 68 3.812 9.170 -4.293 522 HG LEU 68 HG LEU 68 3.542 6.951 -5.330 523 1HD1 LEU 68 1HD1 LEU 68 5.473 5.999 -3.168 524 2HD1 LEU 68 2HD1 LEU 68 4.461 4.939 -4.151 525 3HD1 LEU 68 3HD1 LEU 68 5.726 5.899 -4.928 526 1HD2 LEU 68 1HD2 LEU 68 3.263 7.051 -2.290 527 2HD2 LEU 68 2HD2 LEU 68 2.078 7.636 -3.480 528 3HD2 LEU 68 3HD2 LEU 68 2.422 5.899 -3.336 529 H HIS 69 H HIS 69 6.314 7.112 -7.040 530 HA HIS 69 HA HIS 69 4.461 8.264 -9.031 531 1HB HIS 69 1HB HIS 69 7.411 7.693 -9.327 532 2HB HIS 69 2HB HIS 69 6.408 7.903 -10.713 533 HD1 HIS 69 HD1 HIS 69 5.046 10.603 -10.481 534 HD2 HIS 69 HD2 HIS 69 8.636 9.694 -8.459 535 HE1 HIS 69 HE1 HIS 69 6.146 12.836 -9.870 536 H HIS 70 H HIS 70 4.526 6.720 -10.980 537 HA HIS 70 HA HIS 70 3.688 4.117 -9.932 538 1HB HIS 70 1HB HIS 70 2.376 5.489 -11.593 539 2HB HIS 70 2HB HIS 70 3.644 5.208 -12.781 540 HD1 HIS 70 HD1 HIS 70 4.059 2.267 -13.111 541 HD2 HIS 70 HD2 HIS 70 0.394 3.906 -11.766 542 HE1 HIS 70 HE1 HIS 70 2.268 0.485 -13.453 543 H GLY 71 H GLY 71 4.955 2.327 -10.015 544 1HA GLY 71 1HA GLY 71 6.959 1.690 -11.945 545 2HA GLY 71 2HA GLY 71 6.688 0.894 -10.407 546 H ASN 72 H ASN 72 7.113 3.904 -9.294 547 HA ASN 72 HA ASN 72 10.053 3.779 -9.244 548 1HB ASN 72 1HB ASN 72 9.252 5.058 -11.353 549 2HB ASN 72 2HB ASN 72 8.627 6.256 -10.280 550 1HD2 ASN 72 1HD2 ASN 72 10.292 7.645 -11.417 551 2HD2 ASN 72 2HD2 ASN 72 11.885 7.672 -10.730 552 H ALA 73 H ALA 73 9.248 3.263 -6.990 553 HA ALA 73 HA ALA 73 8.112 5.512 -5.510 554 1HB ALA 73 1HB ALA 73 7.400 3.140 -5.171 555 2HB ALA 73 2HB ALA 73 8.006 3.919 -3.697 556 3HB ALA 73 3HB ALA 73 9.031 2.765 -4.578 557 H MET 74 H MET 74 11.249 5.408 -6.569 558 HA MET 74 HA MET 74 12.645 4.578 -4.183 559 1HB MET 74 1HB MET 74 13.500 5.671 -6.890 560 2HB MET 74 2HB MET 74 14.627 5.541 -5.551 561 1HG MET 74 1HG MET 74 14.041 3.116 -5.326 562 2HG MET 74 2HG MET 74 13.106 3.252 -6.821 563 1HE MET 74 1HE MET 74 14.515 1.226 -7.758 564 2HE MET 74 2HE MET 74 16.282 1.212 -7.934 565 3HE MET 74 3HE MET 74 15.548 1.132 -6.319 566 H GLU 75 H GLU 75 11.893 7.672 -5.747 567 HA GLU 75 HA GLU 75 13.474 9.292 -3.916 568 1HB GLU 75 1HB GLU 75 11.121 9.823 -5.751 569 2HB GLU 75 2HB GLU 75 11.684 11.081 -4.678 570 1HG GLU 75 1HG GLU 75 13.679 9.713 -6.503 571 2HG GLU 75 2HG GLU 75 12.570 10.906 -7.161 572 H PHE 76 H PHE 76 10.033 8.267 -3.862 573 HA PHE 76 HA PHE 76 9.371 9.526 -1.358 574 1HB PHE 76 1HB PHE 76 7.575 8.896 -2.750 575 2HB PHE 76 2HB PHE 76 8.242 7.323 -3.115 576 HD1 PHE 76 HD1 PHE 76 7.782 5.402 -1.780 577 HD2 PHE 76 HD2 PHE 76 6.548 9.321 -0.509 578 HE1 PHE 76 HE1 PHE 76 6.318 4.372 -0.010 579 HE2 PHE 76 HE2 PHE 76 5.241 8.265 1.394 580 HZ PHE 76 HZ PHE 76 5.086 5.850 1.568 581 H ALA 77 H ALA 77 10.789 6.340 -2.178 582 HA ALA 77 HA ALA 77 10.702 5.410 0.516 583 1HB ALA 77 1HB ALA 77 10.772 4.006 -1.589 584 2HB ALA 77 2HB ALA 77 11.878 3.529 -0.312 585 3HB ALA 77 3HB ALA 77 12.500 4.418 -1.722 586 H LYS 78 H LYS 78 13.212 7.119 -1.406 587 HA LYS 78 HA LYS 78 15.320 7.023 0.487 588 1HB LYS 78 1HB LYS 78 14.557 9.037 -1.664 589 2HB LYS 78 2HB LYS 78 15.926 9.295 -0.603 590 1HG LYS 78 1HG LYS 78 16.082 6.590 -1.646 591 2HG LYS 78 2HG LYS 78 15.817 7.699 -2.992 592 1HD LYS 78 1HD LYS 78 17.788 8.934 -2.548 593 2HD LYS 78 2HD LYS 78 17.922 8.300 -0.898 594 1HE LYS 78 1HE LYS 78 18.282 6.015 -1.823 595 2HE LYS 78 2HE LYS 78 18.334 6.708 -3.461 596 1HZ LYS 78 1HZ LYS 78 20.126 7.497 -1.243 597 2HZ LYS 78 2HZ LYS 78 20.546 6.406 -2.411 598 3HZ LYS 78 3HZ LYS 78 20.232 7.984 -2.811 599 H LYS 79 H LYS 79 12.494 9.217 0.295 600 HA LYS 79 HA LYS 79 13.200 10.904 2.389 601 1HB LYS 79 1HB LYS 79 10.428 9.818 1.859 602 2HB LYS 79 2HB LYS 79 10.842 11.195 2.901 603 1HG LYS 79 1HG LYS 79 12.001 12.186 0.821 604 2HG LYS 79 2HG LYS 79 11.098 10.991 -0.105 605 1HD LYS 79 1HD LYS 79 9.853 13.032 1.793 606 2HD LYS 79 2HD LYS 79 10.068 13.240 0.067 607 1HE LYS 79 1HE LYS 79 7.800 12.622 0.400 608 2HE LYS 79 2HE LYS 79 8.605 11.229 -0.330 609 1HZ LYS 79 1HZ LYS 79 8.033 11.531 2.567 610 2HZ LYS 79 2HZ LYS 79 7.084 10.726 1.522 611 3HZ LYS 79 3HZ LYS 79 8.619 10.178 1.851 612 H HIS 80 H HIS 80 12.325 7.474 2.701 613 HA HIS 80 HA HIS 80 12.167 7.757 5.652 614 1HB HIS 80 1HB HIS 80 11.338 5.402 4.025 615 2HB HIS 80 2HB HIS 80 10.884 5.806 5.688 616 HD1 HIS 80 HD1 HIS 80 9.439 5.917 2.357 617 HD2 HIS 80 HD2 HIS 80 9.681 8.615 5.556 618 HE1 HIS 80 HE1 HIS 80 7.725 7.677 1.912 619 H GLY 81 H GLY 81 14.528 7.391 3.516 620 1HA GLY 81 1HA GLY 81 16.214 5.957 5.382 621 2HA GLY 81 2HA GLY 81 16.674 6.725 3.854 622 H ALA 82 H ALA 82 14.435 4.933 2.548 623 HA ALA 82 HA ALA 82 15.876 2.356 2.402 624 1HB ALA 82 1HB ALA 82 14.461 1.919 0.456 625 2HB ALA 82 2HB ALA 82 13.416 2.485 1.773 626 3HB ALA 82 3HB ALA 82 13.903 3.590 0.460 627 H ASP 83 H ASP 83 17.659 2.001 0.841 628 HA ASP 83 HA ASP 83 18.398 4.288 -0.845 629 1HB ASP 83 1HB ASP 83 20.380 2.844 -1.325 630 2HB ASP 83 2HB ASP 83 20.308 3.570 0.239 631 H GLU 84 H GLU 84 19.463 2.972 -2.934 632 HA GLU 84 HA GLU 84 17.118 2.405 -4.517 633 1HB GLU 84 1HB GLU 84 18.618 3.382 -5.864 634 2HB GLU 84 2HB GLU 84 19.992 2.962 -4.841 635 1HG GLU 84 1HG GLU 84 20.068 0.720 -5.812 636 2HG GLU 84 2HG GLU 84 18.753 1.149 -6.931 637 H THR 85 H THR 85 19.718 0.487 -3.000 638 HA THR 85 HA THR 85 18.889 -1.981 -4.255 639 HB THR 85 HB THR 85 20.580 -1.540 -1.767 640 HG1 THR 85 HG1 THR 85 21.287 -0.415 -3.614 641 1HG2 THR 85 1HG2 THR 85 20.502 -3.853 -3.741 642 2HG2 THR 85 2HG2 THR 85 21.666 -3.672 -2.409 643 3HG2 THR 85 3HG2 THR 85 19.948 -3.918 -2.065 644 H MET 86 H MET 86 18.136 -0.449 -1.056 645 HA MET 86 HA MET 86 16.569 -2.587 0.019 646 1HB MET 86 1HB MET 86 16.673 0.456 0.318 647 2HB MET 86 2HB MET 86 15.486 -0.498 1.139 648 1HG MET 86 1HG MET 86 17.426 -1.859 2.125 649 2HG MET 86 2HG MET 86 18.482 -0.582 1.517 650 1HE MET 86 1HE MET 86 19.495 0.153 3.704 651 2HE MET 86 2HE MET 86 18.922 1.710 3.049 652 3HE MET 86 3HE MET 86 18.658 1.314 4.763 653 H ALA 87 H ALA 87 15.661 0.280 -2.028 654 HA ALA 87 HA ALA 87 12.908 -0.476 -2.206 655 1HB ALA 87 1HB ALA 87 13.756 1.776 -2.797 656 2HB ALA 87 2HB ALA 87 12.859 1.044 -4.136 657 3HB ALA 87 3HB ALA 87 14.641 1.082 -4.179 658 H GLN 88 H GLN 88 15.637 -1.127 -4.443 659 HA GLN 88 HA GLN 88 14.120 -2.565 -6.274 660 1HB GLN 88 1HB GLN 88 16.499 -1.677 -6.515 661 2HB GLN 88 2HB GLN 88 17.053 -3.083 -5.600 662 1HG GLN 88 1HG GLN 88 17.322 -3.476 -7.968 663 2HG GLN 88 2HG GLN 88 16.080 -4.559 -7.361 664 1HE2 GLN 88 1HE2 GLN 88 14.536 -4.783 -8.954 665 2HE2 GLN 88 2HE2 GLN 88 13.850 -3.457 -9.886 666 H GLN 89 H GLN 89 15.660 -3.789 -3.289 667 HA GLN 89 HA GLN 89 15.135 -6.559 -3.554 668 1HB GLN 89 1HB GLN 89 15.425 -4.565 -1.307 669 2HB GLN 89 2HB GLN 89 14.718 -6.086 -0.877 670 1HG GLN 89 1HG GLN 89 17.399 -5.741 -2.260 671 2HG GLN 89 2HG GLN 89 17.153 -5.936 -0.526 672 1HE2 GLN 89 1HE2 GLN 89 18.799 -7.705 -1.308 673 2HE2 GLN 89 2HE2 GLN 89 18.106 -9.212 -1.972 674 H LEU 90 H LEU 90 13.029 -3.931 -2.278 675 HA LEU 90 HA LEU 90 10.876 -5.749 -1.661 676 1HB LEU 90 1HB LEU 90 10.993 -2.715 -1.969 677 2HB LEU 90 2HB LEU 90 9.621 -3.583 -1.321 678 HG LEU 90 HG LEU 90 12.399 -3.780 -0.044 679 1HD1 LEU 90 1HD1 LEU 90 11.656 -1.483 -0.033 680 2HD1 LEU 90 2HD1 LEU 90 10.122 -1.946 0.736 681 3HD1 LEU 90 3HD1 LEU 90 11.673 -2.157 1.585 682 1HD2 LEU 90 1HD2 LEU 90 10.648 -5.577 0.473 683 2HD2 LEU 90 2HD2 LEU 90 11.330 -4.746 1.854 684 3HD2 LEU 90 3HD2 LEU 90 9.728 -4.283 1.290 685 H ILE 91 H ILE 91 11.606 -3.616 -4.384 686 HA ILE 91 HA ILE 91 9.127 -4.025 -5.756 687 HB ILE 91 HB ILE 91 11.871 -3.074 -6.630 688 1HG1 ILE 91 1HG1 ILE 91 9.366 -1.392 -6.316 689 2HG1 ILE 91 2HG1 ILE 91 10.271 -1.813 -4.886 690 1HG2 ILE 91 1HG2 ILE 91 9.259 -2.950 -8.193 691 2HG2 ILE 91 2HG2 ILE 91 10.735 -2.056 -8.611 692 3HG2 ILE 91 3HG2 ILE 91 10.733 -3.822 -8.662 693 1HD1 ILE 91 1HD1 ILE 91 12.309 -0.801 -5.902 694 2HD1 ILE 91 2HD1 ILE 91 11.286 -0.193 -7.228 695 3HD1 ILE 91 3HD1 ILE 91 10.987 0.312 -5.541 696 H ASP 92 H ASP 92 12.238 -5.806 -5.828 697 HA ASP 92 HA ASP 92 11.615 -7.668 -7.907 698 1HB ASP 92 1HB ASP 92 13.777 -7.320 -6.358 699 2HB ASP 92 2HB ASP 92 13.034 -8.494 -5.336 700 H ILE 93 H ILE 93 11.113 -7.764 -4.445 701 HA ILE 93 HA ILE 93 9.547 -10.116 -4.315 702 HB ILE 93 HB ILE 93 9.772 -7.711 -2.446 703 1HG1 ILE 93 1HG1 ILE 93 10.829 -10.569 -2.450 704 2HG1 ILE 93 2HG1 ILE 93 11.775 -9.213 -2.965 705 1HG2 ILE 93 1HG2 ILE 93 8.292 -10.285 -1.941 706 2HG2 ILE 93 2HG2 ILE 93 8.652 -8.980 -0.768 707 3HG2 ILE 93 3HG2 ILE 93 7.576 -8.673 -2.100 708 1HD1 ILE 93 1HD1 ILE 93 11.723 -8.225 -0.724 709 2HD1 ILE 93 2HD1 ILE 93 10.844 -9.662 -0.136 710 3HD1 ILE 93 3HD1 ILE 93 12.478 -9.823 -0.775 711 H VAL 94 H VAL 94 8.366 -6.719 -4.754 712 HA VAL 94 HA VAL 94 5.635 -7.276 -4.708 713 HB VAL 94 HB VAL 94 7.266 -5.243 -6.260 714 1HG1 VAL 94 1HG1 VAL 94 4.255 -5.609 -6.518 715 2HG1 VAL 94 2HG1 VAL 94 5.045 -4.022 -6.643 716 3HG1 VAL 94 3HG1 VAL 94 5.469 -5.289 -7.754 717 1HG2 VAL 94 1HG2 VAL 94 6.944 -5.041 -3.780 718 2HG2 VAL 94 2HG2 VAL 94 6.270 -3.700 -4.708 719 3HG2 VAL 94 3HG2 VAL 94 5.189 -4.955 -4.055 720 H HIS 95 H HIS 95 7.853 -7.564 -7.579 721 HA HIS 95 HA HIS 95 5.642 -8.597 -9.177 722 1HB HIS 95 1HB HIS 95 8.599 -8.825 -9.759 723 2HB HIS 95 2HB HIS 95 7.261 -8.862 -10.902 724 HD1 HIS 95 HD1 HIS 95 9.839 -6.740 -10.647 725 HD2 HIS 95 HD2 HIS 95 5.800 -6.094 -9.657 726 HE1 HIS 95 HE1 HIS 95 9.470 -4.222 -10.683 727 H GLY 96 H GLY 96 8.276 -9.975 -7.247 728 1HA GLY 96 1HA GLY 96 8.686 -12.102 -6.485 729 2HA GLY 96 2HA GLY 96 8.102 -12.691 -8.052 730 H CYS 97 H CYS 97 6.093 -10.811 -5.974 731 HA CYS 97 HA CYS 97 4.619 -13.144 -4.918 732 1HB CYS 97 1HB CYS 97 4.783 -10.199 -4.233 733 2HB CYS 97 2HB CYS 97 3.426 -11.158 -3.690 734 H GLU 98 H GLU 98 4.207 -10.443 -7.238 735 HA GLU 98 HA GLU 98 1.472 -10.961 -7.817 736 1HB GLU 98 1HB GLU 98 3.771 -10.178 -9.588 737 2HB GLU 98 2HB GLU 98 2.189 -10.447 -10.218 738 1HG GLU 98 1HG GLU 98 1.312 -8.659 -8.667 739 2HG GLU 98 2HG GLU 98 2.958 -8.345 -8.181 740 H LYS 99 H LYS 99 4.571 -12.462 -8.794 741 HA LYS 99 HA LYS 99 3.494 -14.458 -10.514 742 1HB LYS 99 1HB LYS 99 6.126 -14.103 -9.081 743 2HB LYS 99 2HB LYS 99 5.781 -15.622 -9.918 744 1HG LYS 99 1HG LYS 99 5.893 -14.710 -11.999 745 2HG LYS 99 2HG LYS 99 5.176 -13.177 -11.485 746 1HD LYS 99 1HD LYS 99 7.399 -12.805 -12.246 747 2HD LYS 99 2HD LYS 99 7.274 -12.436 -10.528 748 1HE LYS 99 1HE LYS 99 8.242 -14.743 -10.048 749 2HE LYS 99 2HE LYS 99 8.488 -14.913 -11.790 750 1HZ LYS 99 1HZ LYS 99 9.845 -12.805 -11.617 751 2HZ LYS 99 2HZ LYS 99 9.768 -12.955 -9.979 752 3HZ LYS 99 3HZ LYS 99 10.496 -14.109 -10.814 753 H SER 100 H SER 100 4.520 -14.858 -6.985 754 HA SER 100 HA SER 100 3.522 -17.562 -7.177 755 1HB SER 100 1HB SER 100 4.144 -17.743 -4.815 756 2HB SER 100 2HB SER 100 5.460 -17.212 -5.854 757 HG SER 100 HG SER 100 4.788 -16.125 -3.689 758 H THR 101 H THR 101 1.774 -14.667 -6.677 759 HA THR 101 HA THR 101 -0.323 -16.069 -5.154 760 HB THR 101 HB THR 101 -0.414 -13.342 -6.484 761 HG1 THR 101 HG1 THR 101 1.080 -13.278 -4.920 762 1HG2 THR 101 1HG2 THR 101 -2.161 -14.658 -4.339 763 2HG2 THR 101 2HG2 THR 101 -2.317 -12.992 -4.948 764 3HG2 THR 101 3HG2 THR 101 -2.650 -14.351 -6.024 765 HA PRO 102 HA PRO 102 -1.546 -17.676 -9.171 766 1HB PRO 102 1HB PRO 102 -3.982 -18.790 -8.498 767 2HB PRO 102 2HB PRO 102 -2.403 -19.576 -8.230 768 1HG PRO 102 1HG PRO 102 -4.091 -18.048 -6.237 769 2HG PRO 102 2HG PRO 102 -3.164 -19.548 -5.980 770 1HD PRO 102 1HD PRO 102 -2.267 -17.087 -5.213 771 2HD PRO 102 2HD PRO 102 -1.150 -18.373 -5.764 772 H ALA 103 H ALA 103 -2.532 -16.705 -10.757 773 HA ALA 103 HA ALA 103 -3.744 -14.231 -10.816 774 1HB ALA 103 1HB ALA 103 -3.579 -16.569 -12.754 775 2HB ALA 103 2HB ALA 103 -2.653 -15.060 -12.748 776 3HB ALA 103 3HB ALA 103 -4.373 -15.052 -13.185 777 H ASN 104 H ASN 104 -5.394 -13.964 -9.566 778 HA ASN 104 HA ASN 104 -7.675 -15.823 -9.373 779 1HB ASN 104 1HB ASN 104 -6.718 -14.389 -7.412 780 2HB ASN 104 2HB ASN 104 -7.657 -13.089 -8.092 781 1HD2 ASN 104 1HD2 ASN 104 -7.778 -15.330 -5.726 782 2HD2 ASN 104 2HD2 ASN 104 -9.529 -15.492 -5.641 783 H ASP 105 H ASP 105 -9.657 -15.519 -10.091 784 HA ASP 105 HA ASP 105 -10.528 -14.078 -12.259 785 1HB ASP 105 1HB ASP 105 -11.656 -15.943 -11.117 786 2HB ASP 105 2HB ASP 105 -12.056 -14.897 -9.752 787 H ASP 106 H ASP 106 -10.205 -12.970 -8.911 788 HA ASP 106 HA ASP 106 -11.659 -10.411 -9.485 789 1HB ASP 106 1HB ASP 106 -12.430 -12.104 -7.605 790 2HB ASP 106 2HB ASP 106 -11.013 -11.622 -6.798 791 H LYS 107 H LYS 107 -10.253 -8.574 -9.640 792 HA LYS 107 HA LYS 107 -7.482 -9.041 -9.218 793 1HB LYS 107 1HB LYS 107 -9.117 -7.058 -10.528 794 2HB LYS 107 2HB LYS 107 -8.128 -6.219 -9.341 795 1HG LYS 107 1HG LYS 107 -6.789 -6.243 -11.262 796 2HG LYS 107 2HG LYS 107 -6.117 -7.546 -10.272 797 1HD LYS 107 1HD LYS 107 -6.319 -8.690 -12.289 798 2HD LYS 107 2HD LYS 107 -7.903 -9.022 -11.616 799 1HE LYS 107 1HE LYS 107 -8.443 -8.331 -13.781 800 2HE LYS 107 2HE LYS 107 -8.668 -6.850 -12.841 801 1HZ LYS 107 1HZ LYS 107 -6.226 -6.416 -13.536 802 2HZ LYS 107 2HZ LYS 107 -6.519 -7.553 -14.712 803 3HZ LYS 107 3HZ LYS 107 -7.404 -6.166 -14.613 804 H CYS 108 H CYS 108 -10.020 -7.512 -7.154 805 HA CYS 108 HA CYS 108 -8.225 -6.402 -5.263 806 1HB CYS 108 1HB CYS 108 -10.885 -7.736 -4.635 807 2HB CYS 108 2HB CYS 108 -9.989 -6.616 -3.675 808 H ILE 109 H ILE 109 -9.725 -9.675 -5.471 809 HA ILE 109 HA ILE 109 -8.533 -10.582 -3.030 810 HB ILE 109 HB ILE 109 -9.725 -12.154 -5.372 811 1HG1 ILE 109 1HG1 ILE 109 -10.908 -11.222 -2.702 812 2HG1 ILE 109 2HG1 ILE 109 -11.238 -10.485 -4.245 813 1HG2 ILE 109 1HG2 ILE 109 -9.036 -13.016 -2.545 814 2HG2 ILE 109 2HG2 ILE 109 -9.959 -13.995 -3.717 815 3HG2 ILE 109 3HG2 ILE 109 -8.271 -13.589 -4.040 816 1HD1 ILE 109 1HD1 ILE 109 -12.112 -12.748 -5.041 817 2HD1 ILE 109 2HD1 ILE 109 -12.129 -13.196 -3.309 818 3HD1 ILE 109 3HD1 ILE 109 -13.051 -11.785 -3.886 819 H TRP 110 H TRP 110 -7.507 -10.958 -6.438 820 HA TRP 110 HA TRP 110 -5.084 -12.354 -5.951 821 1HB TRP 110 1HB TRP 110 -5.922 -11.884 -8.215 822 2HB TRP 110 2HB TRP 110 -5.693 -10.171 -7.981 823 HD1 TRP 110 HD1 TRP 110 -3.675 -13.423 -8.228 824 HE1 TRP 110 HE1 TRP 110 -1.404 -12.917 -9.360 825 HE3 TRP 110 HE3 TRP 110 -3.998 -8.334 -8.361 826 HZ2 TRP 110 HZ2 TRP 110 0.086 -10.540 -10.172 827 HZ3 TRP 110 HZ3 TRP 110 -2.204 -6.980 -9.396 828 HH2 TRP 110 HH2 TRP 110 -0.225 -8.082 -10.369 829 H THR 111 H THR 111 -5.545 -8.770 -6.139 830 HA THR 111 HA THR 111 -3.034 -7.978 -5.335 831 HB THR 111 HB THR 111 -5.747 -6.683 -4.866 832 HG1 THR 111 HG1 THR 111 -5.502 -6.963 -6.969 833 1HG2 THR 111 1HG2 THR 111 -2.986 -5.437 -4.811 834 2HG2 THR 111 2HG2 THR 111 -4.486 -4.524 -5.055 835 3HG2 THR 111 3HG2 THR 111 -4.234 -5.406 -3.540 836 H LEU 112 H LEU 112 -5.759 -8.956 -3.097 837 HA LEU 112 HA LEU 112 -4.379 -8.137 -0.730 838 1HB LEU 112 1HB LEU 112 -6.814 -8.374 -1.071 839 2HB LEU 112 2HB LEU 112 -6.659 -10.086 -1.286 840 HG LEU 112 HG LEU 112 -7.527 -9.120 0.924 841 1HD1 LEU 112 1HD1 LEU 112 -6.924 -11.441 0.468 842 2HD1 LEU 112 2HD1 LEU 112 -5.284 -11.140 1.063 843 3HD1 LEU 112 3HD1 LEU 112 -6.696 -10.975 2.147 844 1HD2 LEU 112 1HD2 LEU 112 -5.759 -7.419 1.317 845 2HD2 LEU 112 2HD2 LEU 112 -5.966 -8.539 2.674 846 3HD2 LEU 112 3HD2 LEU 112 -4.584 -8.724 1.588 847 H GLY 113 H GLY 113 -4.553 -11.131 -2.650 848 1HA GLY 113 1HA GLY 113 -3.254 -13.008 -2.683 849 2HA GLY 113 2HA GLY 113 -3.025 -12.844 -0.934 850 H VAL 114 H VAL 114 -2.084 -10.724 -3.725 851 HA VAL 114 HA VAL 114 0.699 -11.216 -3.632 852 HB VAL 114 HB VAL 114 -0.763 -8.725 -4.572 853 1HG1 VAL 114 1HG1 VAL 114 1.691 -8.422 -4.207 854 2HG1 VAL 114 2HG1 VAL 114 2.021 -9.827 -5.207 855 3HG1 VAL 114 3HG1 VAL 114 1.287 -8.388 -5.935 856 1HG2 VAL 114 1HG2 VAL 114 0.148 -11.191 -6.106 857 2HG2 VAL 114 2HG2 VAL 114 -1.531 -10.734 -5.824 858 3HG2 VAL 114 3HG2 VAL 114 -0.516 -9.708 -6.827 859 H ALA 115 H ALA 115 -1.201 -8.517 -2.118 860 HA ALA 115 HA ALA 115 0.852 -7.338 -0.719 861 1HB ALA 115 1HB ALA 115 -1.501 -6.484 -0.968 862 2HB ALA 115 2HB ALA 115 -0.904 -6.374 0.701 863 3HB ALA 115 3HB ALA 115 -2.035 -7.664 0.243 864 H THR 116 H THR 116 -1.102 -10.083 0.338 865 HA THR 116 HA THR 116 0.009 -10.359 2.960 866 HB THR 116 HB THR 116 -1.191 -12.387 0.997 867 HG1 THR 116 HG1 THR 116 -2.660 -10.856 1.477 868 1HG2 THR 116 1HG2 THR 116 -0.850 -12.686 3.986 869 2HG2 THR 116 2HG2 THR 116 -1.734 -13.793 2.913 870 3HG2 THR 116 3HG2 THR 116 0.015 -13.614 2.747 871 H CYS 117 H CYS 117 0.936 -11.747 -0.240 872 HA CYS 117 HA CYS 117 3.168 -13.234 0.713 873 1HB CYS 117 1HB CYS 117 2.148 -13.735 -1.397 874 2HB CYS 117 2HB CYS 117 2.478 -12.133 -2.020 875 H PHE 118 H PHE 118 3.014 -9.776 -0.631 876 HA PHE 118 HA PHE 118 5.730 -9.347 -0.619 877 1HB PHE 118 1HB PHE 118 3.965 -7.832 -1.478 878 2HB PHE 118 2HB PHE 118 3.539 -7.352 0.159 879 HD1 PHE 118 HD1 PHE 118 7.009 -7.587 0.278 880 HD2 PHE 118 HD2 PHE 118 3.990 -5.148 -1.540 881 HE1 PHE 118 HE1 PHE 118 8.461 -5.677 0.450 882 HE2 PHE 118 HE2 PHE 118 5.510 -3.155 -1.305 883 HZ PHE 118 HZ PHE 118 7.702 -3.401 -0.310 884 H LYS 119 H LYS 119 3.527 -8.510 2.065 885 HA LYS 119 HA LYS 119 5.310 -7.799 4.027 886 1HB LYS 119 1HB LYS 119 2.570 -8.263 3.925 887 2HB LYS 119 2HB LYS 119 3.079 -9.574 4.892 888 1HG LYS 119 1HG LYS 119 4.548 -7.696 6.175 889 2HG LYS 119 2HG LYS 119 3.292 -6.630 5.541 890 1HD LYS 119 1HD LYS 119 1.572 -7.939 6.745 891 2HD LYS 119 2HD LYS 119 2.798 -9.135 7.217 892 1HE LYS 119 1HE LYS 119 4.066 -7.202 8.349 893 2HE LYS 119 2HE LYS 119 2.609 -6.228 8.124 894 1HZ LYS 119 1HZ LYS 119 1.417 -7.962 9.428 895 2HZ LYS 119 2HZ LYS 119 2.861 -8.726 9.685 896 3HZ LYS 119 3HZ LYS 119 2.627 -7.274 10.313 897 H ALA 120 H ALA 120 4.213 -11.054 3.300 898 HA ALA 120 HA ALA 120 5.616 -12.442 5.353 899 1HB ALA 120 1HB ALA 120 5.279 -14.448 4.111 900 2HB ALA 120 2HB ALA 120 3.860 -13.435 3.798 901 3HB ALA 120 3HB ALA 120 5.133 -13.582 2.571 902 H GLU 121 H GLU 121 6.737 -11.585 2.021 903 HA GLU 121 HA GLU 121 9.335 -12.751 2.418 904 1HB GLU 121 1HB GLU 121 8.447 -10.606 0.503 905 2HB GLU 121 2HB GLU 121 9.943 -11.516 0.383 906 1HG GLU 121 1HG GLU 121 7.152 -12.726 0.108 907 2HG GLU 121 2HG GLU 121 8.249 -12.351 -1.210 908 H ILE 122 H ILE 122 8.101 -9.369 2.961 909 HA ILE 122 HA ILE 122 10.540 -8.214 3.628 910 HB ILE 122 HB ILE 122 8.019 -7.750 5.235 911 1HG1 ILE 122 1HG1 ILE 122 8.860 -6.203 2.791 912 2HG1 ILE 122 2HG1 ILE 122 7.600 -7.425 2.807 913 1HG2 ILE 122 1HG2 ILE 122 10.082 -6.814 6.244 914 2HG2 ILE 122 2HG2 ILE 122 10.409 -5.966 4.720 915 3HG2 ILE 122 3HG2 ILE 122 8.989 -5.557 5.723 916 1HD1 ILE 122 1HD1 ILE 122 6.454 -6.033 4.650 917 2HD1 ILE 122 2HD1 ILE 122 7.566 -4.737 4.172 918 3HD1 ILE 122 3HD1 ILE 122 6.434 -5.416 2.989 919 H HIS 123 H HIS 123 8.570 -10.458 5.592 920 HA HIS 123 HA HIS 123 10.144 -10.353 7.945 921 1HB HIS 123 1HB HIS 123 7.822 -11.604 7.167 922 2HB HIS 123 2HB HIS 123 8.923 -12.971 7.243 923 HD1 HIS 123 HD1 HIS 123 9.815 -13.592 9.765 924 HD2 HIS 123 HD2 HIS 123 7.380 -10.163 9.408 925 HE1 HIS 123 HE1 HIS 123 9.015 -13.037 12.115 926 H LYS 124 H LYS 124 10.802 -11.888 4.845 927 HA LYS 124 HA LYS 124 12.917 -13.631 5.930 928 1HB LYS 124 1HB LYS 124 12.250 -12.974 3.035 929 2HB LYS 124 2HB LYS 124 13.284 -14.269 3.613 930 1HG LYS 124 1HG LYS 124 11.419 -15.463 4.568 931 2HG LYS 124 2HG LYS 124 10.316 -14.120 4.282 932 1HD LYS 124 1HD LYS 124 9.836 -15.583 2.513 933 2HD LYS 124 2HD LYS 124 10.810 -14.281 1.852 934 1HE LYS 124 1HE LYS 124 11.890 -15.944 0.816 935 2HE LYS 124 2HE LYS 124 12.836 -15.963 2.301 936 1HZ LYS 124 1HZ LYS 124 11.378 -17.791 3.064 937 2HZ LYS 124 2HZ LYS 124 10.571 -17.740 1.613 938 3HZ LYS 124 3HZ LYS 124 12.156 -18.134 1.647 939 H LEU 125 H LEU 125 12.658 -10.295 4.813 940 HA LEU 125 HA LEU 125 15.424 -10.118 3.913 941 1HB LEU 125 1HB LEU 125 13.543 -7.998 4.976 942 2HB LEU 125 2HB LEU 125 15.162 -7.640 4.492 943 HG LEU 125 HG LEU 125 13.249 -8.938 2.517 944 1HD1 LEU 125 1HD1 LEU 125 13.763 -5.963 2.960 945 2HD1 LEU 125 2HD1 LEU 125 12.879 -6.683 1.594 946 3HD1 LEU 125 3HD1 LEU 125 12.239 -6.822 3.237 947 1HD2 LEU 125 1HD2 LEU 125 15.936 -7.484 2.372 948 2HD2 LEU 125 2HD2 LEU 125 15.553 -9.139 1.867 949 3HD2 LEU 125 3HD2 LEU 125 14.928 -7.793 0.934 950 H ASN 126 H ASN 126 17.094 -9.069 5.072 951 HA ASN 126 HA ASN 126 17.347 -9.921 7.804 952 1HB ASN 126 1HB ASN 126 19.610 -9.114 7.520 953 2HB ASN 126 2HB ASN 126 19.206 -10.065 6.108 954 1HD2 ASN 126 1HD2 ASN 126 20.269 -7.013 7.217 955 2HD2 ASN 126 2HD2 ASN 126 20.126 -6.147 5.669 956 H TRP 127 H TRP 127 16.396 -7.151 6.138 957 HA TRP 127 HA TRP 127 16.683 -5.394 8.542 958 1HB TRP 127 1HB TRP 127 16.866 -3.469 7.148 959 2HB TRP 127 2HB TRP 127 18.076 -4.627 6.671 960 HD1 TRP 127 HD1 TRP 127 17.406 -6.088 4.339 961 HE1 TRP 127 HE1 TRP 127 16.241 -5.313 2.219 962 HE3 TRP 127 HE3 TRP 127 15.510 -1.627 6.017 963 HZ2 TRP 127 HZ2 TRP 127 14.369 -3.260 1.450 964 HZ3 TRP 127 HZ3 TRP 127 14.026 -0.297 4.544 965 HH2 TRP 127 HH2 TRP 127 13.435 -1.120 2.274 966 H ALA 128 H ALA 128 14.928 -3.396 7.994 967 HA ALA 128 HA ALA 128 12.321 -4.650 7.413 968 1HB ALA 128 1HB ALA 128 12.840 -3.134 9.987 969 2HB ALA 128 2HB ALA 128 12.542 -4.897 9.841 970 3HB ALA 128 3HB ALA 128 11.287 -3.732 9.394 971 HA PRO 129 HA PRO 129 12.129 -0.405 5.613 972 1HB PRO 129 1HB PRO 129 9.591 -1.218 4.428 973 2HB PRO 129 2HB PRO 129 11.119 -0.841 3.595 974 1HG PRO 129 1HG PRO 129 9.986 -3.407 3.749 975 2HG PRO 129 2HG PRO 129 11.725 -3.074 3.486 976 1HD PRO 129 1HD PRO 129 10.378 -3.832 6.028 977 2HD PRO 129 2HD PRO 129 11.975 -4.311 5.361 978 H SER 130 H SER 130 10.507 1.341 5.983 979 HA SER 130 HA SER 130 8.893 1.176 8.315 980 1HB SER 130 1HB SER 130 8.027 3.199 6.521 981 2HB SER 130 2HB SER 130 9.016 3.421 7.942 982 HG SER 130 HG SER 130 10.851 3.296 6.614 983 H MET 131 H MET 131 6.527 1.467 8.225 984 HA MET 131 HA MET 131 5.093 -0.138 6.231 985 1HB MET 131 1HB MET 131 4.394 1.715 8.534 986 2HB MET 131 2HB MET 131 3.195 1.382 7.328 987 1HG MET 131 1HG MET 131 4.553 -1.090 8.240 988 2HG MET 131 2HG MET 131 3.870 -0.168 9.554 989 1HE MET 131 1HE MET 131 3.308 -2.346 6.546 990 2HE MET 131 2HE MET 131 2.956 -3.287 8.012 991 3HE MET 131 3HE MET 131 1.665 -2.958 6.842 992 H ASP 132 H ASP 132 5.872 3.328 6.731 993 HA ASP 132 HA ASP 132 4.334 4.523 4.788 994 1HB ASP 132 1HB ASP 132 7.236 5.186 5.339 995 2HB ASP 132 2HB ASP 132 6.016 6.206 4.557 996 H VAL 133 H VAL 133 7.626 3.136 4.344 997 HA VAL 133 HA VAL 133 7.627 3.204 1.518 998 HB VAL 133 HB VAL 133 9.223 1.544 3.509 999 1HG1 VAL 133 1HG1 VAL 133 9.638 2.033 0.516 1000 2HG1 VAL 133 2HG1 VAL 133 10.914 1.459 1.634 1001 3HG1 VAL 133 3HG1 VAL 133 9.464 0.477 1.340 1002 1HG2 VAL 133 1HG2 VAL 133 9.488 4.026 3.731 1003 2HG2 VAL 133 2HG2 VAL 133 10.955 3.260 3.137 1004 3HG2 VAL 133 3HG2 VAL 133 9.891 4.110 2.006 1005 H ALA 134 H ALA 134 7.242 0.167 3.573 1006 HA ALA 134 HA ALA 134 6.880 -1.328 1.166 1007 1HB ALA 134 1HB ALA 134 7.726 -2.246 3.292 1008 2HB ALA 134 2HB ALA 134 6.090 -2.108 3.994 1009 3HB ALA 134 3HB ALA 134 6.392 -3.176 2.602 1010 H VAL 135 H VAL 135 4.419 0.478 2.940 1011 HA VAL 135 HA VAL 135 2.279 -1.015 1.515 1012 HB VAL 135 HB VAL 135 1.983 1.102 3.626 1013 1HG1 VAL 135 1HG1 VAL 135 0.069 -0.973 2.485 1014 2HG1 VAL 135 2HG1 VAL 135 -0.283 0.057 3.903 1015 3HG1 VAL 135 3HG1 VAL 135 -0.025 0.793 2.320 1016 1HG2 VAL 135 1HG2 VAL 135 3.178 -0.783 4.690 1017 2HG2 VAL 135 2HG2 VAL 135 1.538 -0.643 5.277 1018 3HG2 VAL 135 3HG2 VAL 135 1.931 -1.899 4.081 1019 H GLY 136 H GLY 136 4.177 1.793 1.295 1020 1HA GLY 136 1HA GLY 136 4.191 3.627 -0.103 1021 2HA GLY 136 2HA GLY 136 2.516 3.386 -0.525 1022 H GLU 137 H GLU 137 5.458 1.295 -0.835 1023 HA GLU 137 HA GLU 137 5.852 1.711 -3.604 1024 1HB GLU 137 1HB GLU 137 6.647 -0.632 -1.816 1025 2HB GLU 137 2HB GLU 137 7.238 -0.349 -3.453 1026 1HG GLU 137 1HG GLU 137 7.920 2.070 -2.464 1027 2HG GLU 137 2HG GLU 137 7.628 1.355 -0.934 1028 H ILE 138 H ILE 138 4.096 -0.815 -1.885 1029 HA ILE 138 HA ILE 138 3.523 -2.440 -4.060 1030 HB ILE 138 HB ILE 138 3.346 -3.131 -1.764 1031 1HG1 ILE 138 1HG1 ILE 138 0.475 -3.378 -2.645 1032 2HG1 ILE 138 2HG1 ILE 138 1.753 -4.205 -3.504 1033 1HG2 ILE 138 1HG2 ILE 138 2.559 -1.083 -0.727 1034 2HG2 ILE 138 2HG2 ILE 138 0.939 -1.327 -1.399 1035 3HG2 ILE 138 3HG2 ILE 138 1.611 -2.463 -0.201 1036 1HD1 ILE 138 1HD1 ILE 138 1.797 -4.654 -0.542 1037 2HD1 ILE 138 2HD1 ILE 138 0.363 -5.228 -1.394 1038 3HD1 ILE 138 3HD1 ILE 138 1.957 -5.823 -1.867 1039 H LEU 139 H LEU 139 2.476 0.643 -3.814 1040 HA LEU 139 HA LEU 139 -0.168 0.343 -5.169 1041 1HB LEU 139 1HB LEU 139 1.193 2.742 -3.929 1042 2HB LEU 139 2HB LEU 139 -0.364 2.752 -4.523 1043 HG LEU 139 HG LEU 139 0.625 1.249 -2.069 1044 1HD1 LEU 139 1HD1 LEU 139 -1.288 3.570 -2.484 1045 2HD1 LEU 139 2HD1 LEU 139 -0.942 2.778 -0.926 1046 3HD1 LEU 139 3HD1 LEU 139 0.344 3.635 -1.783 1047 1HD2 LEU 139 1HD2 LEU 139 -2.172 1.188 -3.252 1048 2HD2 LEU 139 2HD2 LEU 139 -1.067 -0.182 -3.084 1049 3HD2 LEU 139 3HD2 LEU 139 -1.723 0.588 -1.636 1050 H ALA 140 H ALA 140 2.882 2.097 -5.158 1051 HA ALA 140 HA ALA 140 2.857 3.347 -7.684 1052 1HB ALA 140 1HB ALA 140 4.734 3.683 -6.180 1053 2HB ALA 140 2HB ALA 140 5.168 1.963 -6.239 1054 3HB ALA 140 3HB ALA 140 5.364 2.950 -7.671 1055 H GLU 141 H GLU 141 3.479 -0.069 -6.940 1056 HA GLU 141 HA GLU 141 4.259 -0.582 -9.721 1057 1HB GLU 141 1HB GLU 141 4.577 -1.933 -7.056 1058 2HB GLU 141 2HB GLU 141 5.048 -2.724 -8.604 1059 1HG GLU 141 1HG GLU 141 6.890 -1.483 -8.811 1060 2HG GLU 141 2HG GLU 141 6.012 -0.008 -8.626 1061 H VAL 142 H VAL 142 1.940 -2.118 -7.395 1062 HA VAL 142 HA VAL 142 1.295 -4.183 -9.336 1063 HB VAL 142 HB VAL 142 1.015 -3.747 -6.496 1064 1HG1 VAL 142 1HG1 VAL 142 -1.602 -4.652 -7.733 1065 2HG1 VAL 142 2HG1 VAL 142 -1.136 -4.793 -6.032 1066 3HG1 VAL 142 3HG1 VAL 142 -1.338 -3.195 -6.751 1067 1HG2 VAL 142 1HG2 VAL 142 2.029 -5.667 -7.664 1068 2HG2 VAL 142 2HG2 VAL 142 0.791 -6.174 -6.502 1069 3HG2 VAL 142 3HG2 VAL 142 0.422 -6.166 -8.232 No H/Q in entry = 1069 Start of MODEL 7 1 H SER 1 H SER 1 11.386 21.638 17.599 2 HA SER 1 HA SER 1 11.009 19.395 16.742 3 1HB SER 1 1HB SER 1 9.264 18.640 18.377 4 2HB SER 1 2HB SER 1 10.562 19.611 19.053 5 HG SER 1 HG SER 1 7.834 20.202 18.772 6 H GLN 2 H GLN 2 9.155 17.794 16.246 7 HA GLN 2 HA GLN 2 7.265 18.975 14.328 8 1HB GLN 2 1HB GLN 2 7.948 17.214 12.760 9 2HB GLN 2 2HB GLN 2 9.233 18.376 13.097 10 1HG GLN 2 1HG GLN 2 9.649 16.222 14.937 11 2HG GLN 2 2HG GLN 2 9.200 15.462 13.422 12 1HE2 GLN 2 1HE2 GLN 2 10.364 17.042 11.483 13 2HE2 GLN 2 2HE2 GLN 2 12.095 17.104 11.674 14 H GLU 3 H GLU 3 5.422 17.699 14.063 15 HA GLU 3 HA GLU 3 4.890 15.500 15.964 16 1HB GLU 3 1HB GLU 3 2.986 16.815 16.808 17 2HB GLU 3 2HB GLU 3 4.596 17.439 17.170 18 1HG GLU 3 1HG GLU 3 4.355 19.106 15.292 19 2HG GLU 3 2HG GLU 3 2.688 18.576 15.104 20 H VAL 4 H VAL 4 5.282 15.005 13.354 21 HA VAL 4 HA VAL 4 2.592 14.464 12.246 22 HB VAL 4 HB VAL 4 4.864 15.590 10.568 23 1HG1 VAL 4 1HG1 VAL 4 1.859 15.292 10.052 24 2HG1 VAL 4 2HG1 VAL 4 3.025 16.060 8.944 25 3HG1 VAL 4 3HG1 VAL 4 3.161 14.353 9.305 26 1HG2 VAL 4 1HG2 VAL 4 2.506 17.128 11.744 27 2HG2 VAL 4 2HG2 VAL 4 4.236 17.424 12.069 28 3HG2 VAL 4 3HG2 VAL 4 3.592 17.726 10.471 29 H MET 5 H MET 5 3.918 12.675 13.742 30 HA MET 5 HA MET 5 5.039 10.668 11.858 31 1HB MET 5 1HB MET 5 6.272 11.369 14.552 32 2HB MET 5 2HB MET 5 6.773 10.104 13.447 33 1HG MET 5 1HG MET 5 6.945 12.179 11.735 34 2HG MET 5 2HG MET 5 7.175 13.069 13.229 35 1HE MET 5 1HE MET 5 7.806 10.142 11.231 36 2HE MET 5 2HE MET 5 9.519 10.196 10.830 37 3HE MET 5 3HE MET 5 8.954 9.235 12.224 38 H LYS 6 H LYS 6 2.361 10.942 13.051 39 HA LYS 6 HA LYS 6 2.102 9.053 15.259 40 1HB LYS 6 1HB LYS 6 0.002 10.244 13.392 41 2HB LYS 6 2HB LYS 6 -0.291 9.303 14.863 42 1HG LYS 6 1HG LYS 6 1.384 11.167 15.900 43 2HG LYS 6 2HG LYS 6 0.725 12.118 14.573 44 1HD LYS 6 1HD LYS 6 -1.010 10.637 16.601 45 2HD LYS 6 2HD LYS 6 -0.381 12.266 16.878 46 1HE LYS 6 1HE LYS 6 -1.480 13.043 14.790 47 2HE LYS 6 2HE LYS 6 -2.196 11.440 14.569 48 1HZ LYS 6 1HZ LYS 6 -2.580 13.131 16.973 49 2HZ LYS 6 2HZ LYS 6 -3.635 13.084 15.731 50 3HZ LYS 6 3HZ LYS 6 -3.363 11.733 16.651 51 H ASN 7 H ASN 7 0.359 7.162 14.765 52 HA ASN 7 HA ASN 7 1.609 5.249 13.062 53 1HB ASN 7 1HB ASN 7 0.026 4.563 14.761 54 2HB ASN 7 2HB ASN 7 -1.252 5.511 13.957 55 1HD2 ASN 7 1HD2 ASN 7 -1.472 4.786 11.526 56 2HD2 ASN 7 2HD2 ASN 7 -1.495 3.032 11.275 57 H LEU 8 H LEU 8 1.467 4.980 11.109 58 HA LEU 8 HA LEU 8 1.490 5.402 8.891 59 1HB LEU 8 1HB LEU 8 -0.398 4.070 9.206 60 2HB LEU 8 2HB LEU 8 -1.432 5.414 9.630 61 HG LEU 8 HG LEU 8 -1.745 4.372 7.365 62 1HD1 LEU 8 1HD1 LEU 8 -2.550 6.652 8.221 63 2HD1 LEU 8 2HD1 LEU 8 -1.267 7.345 7.211 64 3HD1 LEU 8 3HD1 LEU 8 -2.562 6.379 6.483 65 1HD2 LEU 8 1HD2 LEU 8 0.853 4.443 6.908 66 2HD2 LEU 8 2HD2 LEU 8 -0.294 4.662 5.613 67 3HD2 LEU 8 3HD2 LEU 8 0.497 6.080 6.298 68 H SER 9 H SER 9 2.464 7.036 7.979 69 HA SER 9 HA SER 9 1.624 9.787 8.397 70 1HB SER 9 1HB SER 9 3.733 8.657 6.524 71 2HB SER 9 2HB SER 9 3.547 10.335 6.977 72 HG SER 9 HG SER 9 4.957 9.732 8.452 73 H LEU 10 H LEU 10 1.575 7.553 5.571 74 HA LEU 10 HA LEU 10 0.891 9.506 3.707 75 1HB LEU 10 1HB LEU 10 0.356 6.544 3.765 76 2HB LEU 10 2HB LEU 10 -0.107 7.524 2.386 77 HG LEU 10 HG LEU 10 2.643 6.635 3.266 78 1HD1 LEU 10 1HD1 LEU 10 1.333 5.354 1.576 79 2HD1 LEU 10 2HD1 LEU 10 1.364 6.771 0.516 80 3HD1 LEU 10 3HD1 LEU 10 2.877 5.976 0.974 81 1HD2 LEU 10 1HD2 LEU 10 2.077 9.049 1.470 82 2HD2 LEU 10 2HD2 LEU 10 2.968 9.030 3.018 83 3HD2 LEU 10 3HD2 LEU 10 3.641 8.218 1.605 84 H ASN 11 H ASN 11 -1.011 10.351 2.806 85 HA ASN 11 HA ASN 11 -3.140 10.425 4.771 86 1HB ASN 11 1HB ASN 11 -2.263 12.354 3.437 87 2HB ASN 11 2HB ASN 11 -3.222 11.775 2.073 88 1HD2 ASN 11 1HD2 ASN 11 -3.670 14.279 3.205 89 2HD2 ASN 11 2HD2 ASN 11 -5.206 14.304 4.064 90 H PHE 12 H PHE 12 -3.287 7.905 4.264 91 HA PHE 12 HA PHE 12 -4.927 6.984 2.171 92 1HB PHE 12 1HB PHE 12 -4.285 5.971 4.958 93 2HB PHE 12 2HB PHE 12 -5.404 5.137 3.892 94 HD1 PHE 12 HD1 PHE 12 -1.896 5.697 4.594 95 HD2 PHE 12 HD2 PHE 12 -4.646 4.451 1.555 96 HE1 PHE 12 HE1 PHE 12 -0.048 4.496 3.398 97 HE2 PHE 12 HE2 PHE 12 -2.759 3.401 0.299 98 HZ PHE 12 HZ PHE 12 -0.462 3.395 1.301 99 H GLY 13 H GLY 13 -5.802 8.532 5.294 100 1HA GLY 13 1HA GLY 13 -7.851 9.448 5.869 101 2HA GLY 13 2HA GLY 13 -8.515 7.877 5.394 102 H LYS 14 H LYS 14 -7.033 10.617 3.530 103 HA LYS 14 HA LYS 14 -9.518 11.339 2.292 104 1HB LYS 14 1HB LYS 14 -6.601 11.997 1.899 105 2HB LYS 14 2HB LYS 14 -7.724 12.458 0.637 106 1HG LYS 14 1HG LYS 14 -8.103 13.211 3.566 107 2HG LYS 14 2HG LYS 14 -7.251 14.240 2.413 108 1HD LYS 14 1HD LYS 14 -10.098 13.289 1.846 109 2HD LYS 14 2HD LYS 14 -9.751 14.718 2.851 110 1HE LYS 14 1HE LYS 14 -8.578 15.781 0.996 111 2HE LYS 14 2HE LYS 14 -8.749 14.318 0.012 112 1HZ LYS 14 1HZ LYS 14 -11.191 14.619 0.213 113 2HZ LYS 14 2HZ LYS 14 -10.957 16.065 0.924 114 3HZ LYS 14 3HZ LYS 14 -10.430 15.795 -0.624 115 H ALA 15 H ALA 15 -6.687 9.551 0.974 116 HA ALA 15 HA ALA 15 -7.856 9.100 -1.600 117 1HB ALA 15 1HB ALA 15 -6.024 7.248 -0.010 118 2HB ALA 15 2HB ALA 15 -5.456 8.672 -0.886 119 3HB ALA 15 3HB ALA 15 -6.206 7.331 -1.780 120 H LEU 16 H LEU 16 -8.269 7.234 1.439 121 HA LEU 16 HA LEU 16 -9.840 5.128 0.278 122 1HB LEU 16 1HB LEU 16 -9.548 6.163 3.111 123 2HB LEU 16 2HB LEU 16 -10.626 4.850 2.696 124 HG LEU 16 HG LEU 16 -7.639 4.755 2.082 125 1HD1 LEU 16 1HD1 LEU 16 -8.156 4.956 4.512 126 2HD1 LEU 16 2HD1 LEU 16 -9.187 3.508 4.386 127 3HD1 LEU 16 3HD1 LEU 16 -7.440 3.409 4.069 128 1HD2 LEU 16 1HD2 LEU 16 -9.859 2.670 2.001 129 2HD2 LEU 16 2HD2 LEU 16 -8.802 3.178 0.674 130 3HD2 LEU 16 3HD2 LEU 16 -8.150 2.258 2.044 131 H ASP 17 H ASP 17 -10.654 8.265 1.901 132 HA ASP 17 HA ASP 17 -13.471 7.983 1.870 133 1HB ASP 17 1HB ASP 17 -12.241 9.930 2.930 134 2HB ASP 17 2HB ASP 17 -11.721 10.453 1.357 135 H GLU 18 H GLU 18 -11.248 8.553 -0.836 136 HA GLU 18 HA GLU 18 -13.574 9.082 -2.585 137 1HB GLU 18 1HB GLU 18 -10.598 9.193 -3.141 138 2HB GLU 18 2HB GLU 18 -11.915 9.745 -4.189 139 1HG GLU 18 1HG GLU 18 -12.378 11.024 -1.677 140 2HG GLU 18 2HG GLU 18 -10.656 11.150 -1.913 141 H CYS 19 H CYS 19 -10.924 6.588 -2.271 142 HA CYS 19 HA CYS 19 -11.787 4.878 -4.303 143 1HB CYS 19 1HB CYS 19 -10.402 4.513 -1.640 144 2HB CYS 19 2HB CYS 19 -10.890 3.127 -2.575 145 H LYS 20 H LYS 20 -12.894 5.040 -0.895 146 HA LYS 20 HA LYS 20 -14.533 2.750 -0.951 147 1HB LYS 20 1HB LYS 20 -15.449 3.530 1.086 148 2HB LYS 20 2HB LYS 20 -13.802 4.084 1.118 149 1HG LYS 20 1HG LYS 20 -14.602 5.985 1.796 150 2HG LYS 20 2HG LYS 20 -14.760 6.291 0.075 151 1HD LYS 20 1HD LYS 20 -16.654 7.055 1.231 152 2HD LYS 20 2HD LYS 20 -17.202 5.694 0.231 153 1HE LYS 20 1HE LYS 20 -16.323 5.279 3.099 154 2HE LYS 20 2HE LYS 20 -17.929 5.952 2.788 155 1HZ LYS 20 1HZ LYS 20 -18.195 3.843 1.338 156 2HZ LYS 20 2HZ LYS 20 -16.993 3.237 2.306 157 3HZ LYS 20 3HZ LYS 20 -18.397 3.809 2.939 158 H LYS 21 H LYS 21 -15.046 5.981 -2.329 159 HA LYS 21 HA LYS 21 -17.858 5.454 -2.806 160 1HB LYS 21 1HB LYS 21 -16.076 7.760 -3.680 161 2HB LYS 21 2HB LYS 21 -17.823 7.649 -3.929 162 1HG LYS 21 1HG LYS 21 -18.101 7.499 -1.426 163 2HG LYS 21 2HG LYS 21 -16.372 7.739 -1.253 164 1HD LYS 21 1HD LYS 21 -16.559 9.986 -2.345 165 2HD LYS 21 2HD LYS 21 -18.279 9.689 -2.585 166 1HE LYS 21 1HE LYS 21 -18.359 10.932 -0.627 167 2HE LYS 21 2HE LYS 21 -18.333 9.287 0.015 168 1HZ LYS 21 1HZ LYS 21 -15.824 9.636 0.195 169 2HZ LYS 21 2HZ LYS 21 -16.091 11.209 -0.111 170 3HZ LYS 21 3HZ LYS 21 -16.730 10.534 1.224 171 H GLU 22 H GLU 22 -14.812 5.731 -4.724 172 HA GLU 22 HA GLU 22 -15.901 5.327 -7.258 173 1HB GLU 22 1HB GLU 22 -13.200 4.394 -6.182 174 2HB GLU 22 2HB GLU 22 -13.687 4.343 -7.881 175 1HG GLU 22 1HG GLU 22 -13.995 6.804 -7.864 176 2HG GLU 22 2HG GLU 22 -13.374 6.859 -6.222 177 H MET 23 H MET 23 -14.795 2.753 -4.959 178 HA MET 23 HA MET 23 -15.763 0.686 -6.818 179 1HB MET 23 1HB MET 23 -14.934 -0.236 -4.184 180 2HB MET 23 2HB MET 23 -14.430 -0.759 -5.745 181 1HG MET 23 1HG MET 23 -12.960 1.463 -5.695 182 2HG MET 23 2HG MET 23 -13.278 1.311 -3.954 183 1HE MET 23 1HE MET 23 -11.552 0.028 -7.043 184 2HE MET 23 2HE MET 23 -10.552 -1.314 -6.482 185 3HE MET 23 3HE MET 23 -12.297 -1.549 -6.703 186 H THR 24 H THR 24 -17.209 2.566 -4.424 187 HA THR 24 HA THR 24 -18.635 2.314 -2.758 188 HB THR 24 HB THR 24 -20.202 0.232 -4.182 189 HG1 THR 24 HG1 THR 24 -20.950 1.712 -5.628 190 1HG2 THR 24 1HG2 THR 24 -20.936 1.403 -2.093 191 2HG2 THR 24 2HG2 THR 24 -20.828 2.950 -2.940 192 3HG2 THR 24 3HG2 THR 24 -22.032 1.749 -3.456 193 H LEU 25 H LEU 25 -16.709 1.335 -1.738 194 HA LEU 25 HA LEU 25 -16.973 -1.508 -0.856 195 1HB LEU 25 1HB LEU 25 -15.099 0.546 0.327 196 2HB LEU 25 2HB LEU 25 -15.001 -1.181 0.459 197 HG LEU 25 HG LEU 25 -14.444 0.328 -2.135 198 1HD1 LEU 25 1HD1 LEU 25 -12.715 0.730 -0.416 199 2HD1 LEU 25 2HD1 LEU 25 -12.545 -1.027 -0.165 200 3HD1 LEU 25 3HD1 LEU 25 -12.092 -0.317 -1.716 201 1HD2 LEU 25 1HD2 LEU 25 -15.268 -2.035 -2.459 202 2HD2 LEU 25 2HD2 LEU 25 -13.609 -1.770 -3.004 203 3HD2 LEU 25 3HD2 LEU 25 -13.911 -2.596 -1.467 204 H THR 26 H THR 26 -16.799 -1.565 1.708 205 HA THR 26 HA THR 26 -19.096 -0.046 2.763 206 HB THR 26 HB THR 26 -18.220 -1.197 5.026 207 HG1 THR 26 HG1 THR 26 -16.619 -2.418 3.297 208 1HG2 THR 26 1HG2 THR 26 -20.438 -1.496 3.949 209 2HG2 THR 26 2HG2 THR 26 -19.712 -2.638 2.797 210 3HG2 THR 26 3HG2 THR 26 -19.772 -3.026 4.532 211 H ASP 27 H ASP 27 -18.648 0.968 5.229 212 HA ASP 27 HA ASP 27 -16.885 3.191 4.647 213 1HB ASP 27 1HB ASP 27 -19.415 2.623 5.971 214 2HB ASP 27 2HB ASP 27 -18.333 3.372 7.096 215 H ALA 28 H ALA 28 -17.296 0.647 7.057 216 HA ALA 28 HA ALA 28 -15.469 1.378 8.981 217 1HB ALA 28 1HB ALA 28 -17.024 -0.516 9.194 218 2HB ALA 28 2HB ALA 28 -15.353 -1.053 9.505 219 3HB ALA 28 3HB ALA 28 -16.122 -1.414 7.949 220 H ILE 29 H ILE 29 -14.627 0.641 5.757 221 HA ILE 29 HA ILE 29 -12.159 -0.690 6.022 222 HB ILE 29 HB ILE 29 -11.734 -0.144 3.796 223 1HG1 ILE 29 1HG1 ILE 29 -13.345 1.194 2.430 224 2HG1 ILE 29 2HG1 ILE 29 -14.087 1.809 3.916 225 1HG2 ILE 29 1HG2 ILE 29 -13.470 -1.852 4.430 226 2HG2 ILE 29 2HG2 ILE 29 -14.725 -0.653 4.067 227 3HG2 ILE 29 3HG2 ILE 29 -13.626 -1.200 2.793 228 1HD1 ILE 29 1HD1 ILE 29 -11.127 2.041 3.704 229 2HD1 ILE 29 2HD1 ILE 29 -12.102 3.074 2.603 230 3HD1 ILE 29 3HD1 ILE 29 -12.304 3.189 4.358 231 H ASN 30 H ASN 30 -12.846 2.675 6.742 232 HA ASN 30 HA ASN 30 -10.098 3.483 6.583 233 1HB ASN 30 1HB ASN 30 -12.319 4.898 6.831 234 2HB ASN 30 2HB ASN 30 -11.967 4.773 8.543 235 1HD2 ASN 30 1HD2 ASN 30 -11.864 7.216 8.180 236 2HD2 ASN 30 2HD2 ASN 30 -10.331 7.905 7.682 237 H GLU 31 H GLU 31 -11.742 1.592 8.767 238 HA GLU 31 HA GLU 31 -9.437 1.585 10.701 239 1HB GLU 31 1HB GLU 31 -12.242 0.450 11.037 240 2HB GLU 31 2HB GLU 31 -10.932 0.211 12.186 241 1HG GLU 31 1HG GLU 31 -11.989 2.959 11.380 242 2HG GLU 31 2HG GLU 31 -12.606 2.022 12.725 243 H ASP 32 H ASP 32 -11.616 -0.605 8.814 244 HA ASP 32 HA ASP 32 -10.326 -2.971 9.621 245 1HB ASP 32 1HB ASP 32 -12.606 -2.882 8.753 246 2HB ASP 32 2HB ASP 32 -11.992 -2.488 7.143 247 H PHE 33 H PHE 33 -9.701 -1.014 6.651 248 HA PHE 33 HA PHE 33 -7.729 -2.891 5.672 249 1HB PHE 33 1HB PHE 33 -8.629 -1.753 3.959 250 2HB PHE 33 2HB PHE 33 -8.877 -0.303 4.851 251 HD1 PHE 33 HD1 PHE 33 -6.558 -2.004 2.614 252 HD2 PHE 33 HD2 PHE 33 -7.125 1.368 5.227 253 HE1 PHE 33 HE1 PHE 33 -4.654 -0.833 1.552 254 HE2 PHE 33 HE2 PHE 33 -5.190 2.513 4.175 255 HZ PHE 33 HZ PHE 33 -3.908 1.374 2.370 256 H TYR 34 H TYR 34 -7.660 -0.520 8.152 257 HA TYR 34 HA TYR 34 -4.725 -0.197 8.146 258 1HB TYR 34 1HB TYR 34 -6.855 0.737 10.091 259 2HB TYR 34 2HB TYR 34 -5.143 0.946 10.314 260 HD1 TYR 34 HD1 TYR 34 -4.441 3.105 9.902 261 HD2 TYR 34 HD2 TYR 34 -7.653 1.532 7.541 262 HE1 TYR 34 HE1 TYR 34 -4.687 5.322 8.762 263 HE2 TYR 34 HE2 TYR 34 -7.946 3.675 6.460 264 HH TYR 34 HH TYR 34 -7.569 5.887 6.741 265 H ASN 35 H ASN 35 -7.342 -1.850 9.860 266 HA ASN 35 HA ASN 35 -6.001 -2.954 12.050 267 1HB ASN 35 1HB ASN 35 -8.282 -4.137 10.404 268 2HB ASN 35 2HB ASN 35 -7.656 -4.864 11.865 269 1HD2 ASN 35 1HD2 ASN 35 -10.371 -3.973 11.500 270 2HD2 ASN 35 2HD2 ASN 35 -10.642 -2.745 12.714 271 H PHE 36 H PHE 36 -6.232 -4.198 8.721 272 HA PHE 36 HA PHE 36 -5.140 -6.684 8.885 273 1HB PHE 36 1HB PHE 36 -5.863 -5.532 6.789 274 2HB PHE 36 2HB PHE 36 -4.494 -4.448 6.893 275 HD1 PHE 36 HD1 PHE 36 -2.835 -4.857 5.294 276 HD2 PHE 36 HD2 PHE 36 -4.976 -8.214 6.957 277 HE1 PHE 36 HE1 PHE 36 -1.562 -6.385 3.840 278 HE2 PHE 36 HE2 PHE 36 -3.739 -9.729 5.469 279 HZ PHE 36 HZ PHE 36 -2.005 -8.834 3.903 280 H TRP 37 H TRP 37 -3.333 -3.582 9.132 281 HA TRP 37 HA TRP 37 -0.696 -4.665 8.915 282 1HB TRP 37 1HB TRP 37 -1.588 -2.085 10.252 283 2HB TRP 37 2HB TRP 37 -0.026 -2.414 9.554 284 HD1 TRP 37 HD1 TRP 37 -1.557 -3.658 6.799 285 HE1 TRP 37 HE1 TRP 37 -2.594 -2.037 5.145 286 HE3 TRP 37 HE3 TRP 37 -1.735 0.488 9.754 287 HZ2 TRP 37 HZ2 TRP 37 -3.527 0.661 5.143 288 HZ3 TRP 37 HZ3 TRP 37 -2.556 2.644 8.838 289 HH2 TRP 37 HH2 TRP 37 -3.524 2.740 6.541 290 H LYS 38 H LYS 38 -2.923 -4.183 11.588 291 HA LYS 38 HA LYS 38 -0.971 -4.038 13.740 292 1HB LYS 38 1HB LYS 38 -3.975 -4.585 13.686 293 2HB LYS 38 2HB LYS 38 -3.038 -4.338 15.161 294 1HG LYS 38 1HG LYS 38 -2.499 -2.050 14.445 295 2HG LYS 38 2HG LYS 38 -3.343 -2.288 12.909 296 1HD LYS 38 1HD LYS 38 -5.487 -2.595 14.073 297 2HD LYS 38 2HD LYS 38 -4.686 -2.456 15.633 298 1HE LYS 38 1HE LYS 38 -3.876 -0.161 14.975 299 2HE LYS 38 2HE LYS 38 -4.771 -0.319 13.456 300 1HZ LYS 38 1HZ LYS 38 -6.822 -0.474 14.757 301 2HZ LYS 38 2HZ LYS 38 -5.979 -0.227 16.158 302 3HZ LYS 38 3HZ LYS 38 -6.033 0.921 14.991 303 H GLU 39 H GLU 39 -0.330 -5.823 15.092 304 HA GLU 39 HA GLU 39 -0.251 -8.218 13.490 305 1HB GLU 39 1HB GLU 39 0.902 -7.557 16.218 306 2HB GLU 39 2HB GLU 39 0.990 -9.188 15.508 307 1HG GLU 39 1HG GLU 39 1.645 -7.357 13.432 308 2HG GLU 39 2HG GLU 39 2.587 -6.839 14.847 309 H GLY 40 H GLY 40 -0.943 -10.064 13.761 310 1HA GLY 40 1HA GLY 40 -2.895 -10.966 15.747 311 2HA GLY 40 2HA GLY 40 -2.323 -11.853 14.333 312 H TYR 41 H TYR 41 -3.453 -8.764 13.280 313 HA TYR 41 HA TYR 41 -6.292 -9.468 13.262 314 1HB TYR 41 1HB TYR 41 -4.654 -7.090 12.822 315 2HB TYR 41 2HB TYR 41 -5.854 -7.281 11.585 316 HD1 TYR 41 HD1 TYR 41 -5.283 -5.822 14.691 317 HD2 TYR 41 HD2 TYR 41 -8.289 -7.953 12.514 318 HE1 TYR 41 HE1 TYR 41 -6.986 -4.377 15.702 319 HE2 TYR 41 HE2 TYR 41 -10.039 -6.493 13.454 320 HH TYR 41 HH TYR 41 -10.451 -4.577 14.742 321 H GLU 42 H GLU 42 -6.559 -11.242 12.036 322 HA GLU 42 HA GLU 42 -5.292 -11.729 9.530 323 1HB GLU 42 1HB GLU 42 -6.058 -13.322 11.378 324 2HB GLU 42 2HB GLU 42 -7.698 -13.138 10.745 325 1HG GLU 42 1HG GLU 42 -6.755 -13.902 8.488 326 2HG GLU 42 2HG GLU 42 -5.233 -14.248 9.316 327 H ILE 43 H ILE 43 -6.282 -9.355 8.937 328 HA ILE 43 HA ILE 43 -9.012 -9.466 7.894 329 HB ILE 43 HB ILE 43 -7.089 -7.219 7.508 330 1HG1 ILE 43 1HG1 ILE 43 -7.345 -7.201 9.827 331 2HG1 ILE 43 2HG1 ILE 43 -8.692 -6.221 9.280 332 1HG2 ILE 43 1HG2 ILE 43 -9.016 -7.347 5.924 333 2HG2 ILE 43 2HG2 ILE 43 -10.128 -7.427 7.296 334 3HG2 ILE 43 3HG2 ILE 43 -9.146 -5.972 7.036 335 1HD1 ILE 43 1HD1 ILE 43 -10.149 -8.306 9.451 336 2HD1 ILE 43 2HD1 ILE 43 -8.794 -8.959 10.422 337 3HD1 ILE 43 3HD1 ILE 43 -9.641 -7.472 10.917 338 H LYS 44 H LYS 44 -8.687 -11.302 6.490 339 HA LYS 44 HA LYS 44 -7.007 -10.872 4.072 340 1HB LYS 44 1HB LYS 44 -8.492 -13.364 4.954 341 2HB LYS 44 2HB LYS 44 -7.290 -13.265 3.670 342 1HG LYS 44 1HG LYS 44 -6.745 -12.720 6.616 343 2HG LYS 44 2HG LYS 44 -6.442 -14.244 5.835 344 1HD LYS 44 1HD LYS 44 -5.121 -11.739 4.751 345 2HD LYS 44 2HD LYS 44 -4.531 -12.457 6.234 346 1HE LYS 44 1HE LYS 44 -4.833 -14.025 3.652 347 2HE LYS 44 2HE LYS 44 -3.351 -13.176 4.117 348 1HZ LYS 44 1HZ LYS 44 -4.583 -15.296 5.784 349 2HZ LYS 44 2HZ LYS 44 -3.354 -15.544 4.735 350 3HZ LYS 44 3HZ LYS 44 -3.163 -14.562 6.058 351 H ASN 45 H ASN 45 -9.734 -9.539 4.602 352 HA ASN 45 HA ASN 45 -11.567 -10.978 2.895 353 1HB ASN 45 1HB ASN 45 -12.360 -9.615 4.857 354 2HB ASN 45 2HB ASN 45 -11.934 -8.146 3.945 355 1HD2 ASN 45 1HD2 ASN 45 -13.901 -7.252 3.099 356 2HD2 ASN 45 2HD2 ASN 45 -14.935 -8.263 2.070 357 H ARG 46 H ARG 46 -12.770 -10.026 1.136 358 HA ARG 46 HA ARG 46 -11.212 -9.529 -1.112 359 1HB ARG 46 1HB ARG 46 -14.072 -8.679 -1.090 360 2HB ARG 46 2HB ARG 46 -13.091 -9.294 -2.392 361 1HG ARG 46 1HG ARG 46 -13.079 -11.534 -1.351 362 2HG ARG 46 2HG ARG 46 -13.973 -10.914 0.033 363 1HD ARG 46 1HD ARG 46 -15.894 -10.450 -1.143 364 2HD ARG 46 2HD ARG 46 -15.065 -10.454 -2.728 365 HE ARG 46 HE ARG 46 -14.759 -12.899 -2.516 366 1HH1 ARG 46 1HH1 ARG 46 -15.883 -14.745 -2.484 367 2HH1 ARG 46 2HH1 ARG 46 -17.531 -14.855 -1.899 368 1HH2 ARG 46 1HH2 ARG 46 -17.597 -11.394 -0.970 369 2HH2 ARG 46 2HH2 ARG 46 -18.318 -12.912 -0.632 370 H GLU 47 H GLU 47 -13.424 -7.150 0.448 371 HA GLU 47 HA GLU 47 -12.749 -4.909 -1.048 372 1HB GLU 47 1HB GLU 47 -13.560 -5.154 1.856 373 2HB GLU 47 2HB GLU 47 -13.317 -3.595 1.049 374 1HG GLU 47 1HG GLU 47 -15.039 -4.374 -0.684 375 2HG GLU 47 2HG GLU 47 -15.418 -5.680 0.433 376 H THR 48 H THR 48 -11.018 -6.187 1.860 377 HA THR 48 HA THR 48 -9.532 -3.896 2.376 378 HB THR 48 HB THR 48 -8.561 -6.732 2.916 379 HG1 THR 48 HG1 THR 48 -10.108 -6.364 4.819 380 1HG2 THR 48 1HG2 THR 48 -7.591 -4.371 3.714 381 2HG2 THR 48 2HG2 THR 48 -8.862 -4.524 4.937 382 3HG2 THR 48 3HG2 THR 48 -7.596 -5.780 4.786 383 H GLY 49 H GLY 49 -9.013 -6.418 0.069 384 1HA GLY 49 1HA GLY 49 -7.211 -6.770 -1.488 385 2HA GLY 49 2HA GLY 49 -6.313 -5.435 -0.761 386 H CYS 50 H CYS 50 -9.731 -5.056 -1.669 387 HA CYS 50 HA CYS 50 -9.202 -3.887 -4.253 388 1HB CYS 50 1HB CYS 50 -11.535 -4.500 -2.743 389 2HB CYS 50 2HB CYS 50 -11.591 -2.796 -3.124 390 H ALA 51 H ALA 51 -9.553 -2.639 -0.936 391 HA ALA 51 HA ALA 51 -9.165 0.106 -1.435 392 1HB ALA 51 1HB ALA 51 -8.244 0.163 0.893 393 2HB ALA 51 2HB ALA 51 -8.204 -1.611 0.906 394 3HB ALA 51 3HB ALA 51 -9.757 -0.759 0.791 395 H ILE 52 H ILE 52 -6.524 -2.349 -0.761 396 HA ILE 52 HA ILE 52 -4.346 -0.715 -1.294 397 HB ILE 52 HB ILE 52 -4.759 -3.652 -1.927 398 1HG1 ILE 52 1HG1 ILE 52 -3.422 -2.277 0.430 399 2HG1 ILE 52 2HG1 ILE 52 -4.993 -3.086 0.486 400 1HG2 ILE 52 1HG2 ILE 52 -2.849 -2.647 -3.249 401 2HG2 ILE 52 2HG2 ILE 52 -2.117 -2.149 -1.717 402 3HG2 ILE 52 3HG2 ILE 52 -2.340 -3.869 -2.116 403 1HD1 ILE 52 1HD1 ILE 52 -3.833 -5.235 -0.120 404 2HD1 ILE 52 2HD1 ILE 52 -2.278 -4.369 0.033 405 3HD1 ILE 52 3HD1 ILE 52 -3.313 -4.535 1.434 406 H MET 53 H MET 53 -6.190 -2.694 -3.693 407 HA MET 53 HA MET 53 -4.711 -1.941 -5.919 408 1HB MET 53 1HB MET 53 -6.289 -3.843 -5.763 409 2HB MET 53 2HB MET 53 -7.615 -2.737 -5.634 410 1HG MET 53 1HG MET 53 -5.999 -2.193 -8.026 411 2HG MET 53 2HG MET 53 -6.433 -3.875 -7.907 412 1HE MET 53 1HE MET 53 -8.997 -4.622 -7.349 413 2HE MET 53 2HE MET 53 -9.540 -3.251 -6.348 414 3HE MET 53 3HE MET 53 -10.417 -3.653 -7.823 415 H CYS 54 H CYS 54 -7.808 -0.387 -4.823 416 HA CYS 54 HA CYS 54 -7.760 1.556 -6.959 417 1HB CYS 54 1HB CYS 54 -9.805 1.118 -5.886 418 2HB CYS 54 2HB CYS 54 -9.148 1.430 -4.274 419 H LEU 55 H LEU 55 -6.373 1.465 -3.669 420 HA LEU 55 HA LEU 55 -5.459 4.184 -3.677 421 1HB LEU 55 1HB LEU 55 -4.618 1.701 -2.133 422 2HB LEU 55 2HB LEU 55 -3.900 3.267 -1.857 423 HG LEU 55 HG LEU 55 -6.923 2.799 -1.641 424 1HD1 LEU 55 1HD1 LEU 55 -4.701 2.411 0.366 425 2HD1 LEU 55 2HD1 LEU 55 -6.302 2.938 0.900 426 3HD1 LEU 55 3HD1 LEU 55 -6.092 1.406 0.051 427 1HD2 LEU 55 1HD2 LEU 55 -5.082 5.054 -0.840 428 2HD2 LEU 55 2HD2 LEU 55 -6.402 5.069 -2.029 429 3HD2 LEU 55 3HD2 LEU 55 -6.787 4.897 -0.315 430 H SER 56 H SER 56 -4.077 1.238 -5.137 431 HA SER 56 HA SER 56 -1.456 2.229 -5.423 432 1HB SER 56 1HB SER 56 -1.056 0.341 -6.667 433 2HB SER 56 2HB SER 56 -2.408 -0.228 -5.758 434 HG SER 56 HG SER 56 -2.228 -0.709 -7.920 435 H THR 57 H THR 57 -4.280 3.572 -6.690 436 HA THR 57 HA THR 57 -2.668 5.169 -8.563 437 HB THR 57 HB THR 57 -3.859 3.316 -9.759 438 HG1 THR 57 HG1 THR 57 -3.066 5.031 -10.773 439 1HG2 THR 57 1HG2 THR 57 -6.003 3.357 -8.583 440 2HG2 THR 57 2HG2 THR 57 -6.351 4.972 -9.234 441 3HG2 THR 57 3HG2 THR 57 -6.203 3.585 -10.334 442 H LYS 58 H LYS 58 -3.474 5.509 -5.890 443 HA LYS 58 HA LYS 58 -4.745 8.216 -6.173 444 1HB LYS 58 1HB LYS 58 -4.899 6.222 -3.863 445 2HB LYS 58 2HB LYS 58 -5.513 7.863 -3.768 446 1HG LYS 58 1HG LYS 58 -6.535 6.084 -5.956 447 2HG LYS 58 2HG LYS 58 -7.179 5.918 -4.320 448 1HD LYS 58 1HD LYS 58 -7.917 8.147 -4.243 449 2HD LYS 58 2HD LYS 58 -7.238 8.462 -5.852 450 1HE LYS 58 1HE LYS 58 -9.250 6.258 -5.179 451 2HE LYS 58 2HE LYS 58 -9.692 7.816 -5.810 452 1HZ LYS 58 1HZ LYS 58 -8.008 5.841 -7.254 453 2HZ LYS 58 2HZ LYS 58 -9.601 6.135 -7.528 454 3HZ LYS 58 3HZ LYS 58 -8.518 7.302 -7.845 455 H LEU 59 H LEU 59 -1.880 7.286 -6.327 456 HA LEU 59 HA LEU 59 -0.549 7.749 -3.857 457 1HB LEU 59 1HB LEU 59 0.639 8.312 -6.564 458 2HB LEU 59 2HB LEU 59 1.468 7.783 -5.107 459 HG LEU 59 HG LEU 59 -0.461 6.131 -6.799 460 1HD1 LEU 59 1HD1 LEU 59 1.749 6.520 -7.871 461 2HD1 LEU 59 2HD1 LEU 59 2.526 5.722 -6.490 462 3HD1 LEU 59 3HD1 LEU 59 1.375 4.845 -7.531 463 1HD2 LEU 59 1HD2 LEU 59 -0.564 5.399 -4.426 464 2HD2 LEU 59 2HD2 LEU 59 0.188 4.200 -5.473 465 3HD2 LEU 59 3HD2 LEU 59 1.207 5.196 -4.421 466 H ASN 60 H ASN 60 -1.634 9.982 -6.409 467 HA ASN 60 HA ASN 60 -0.414 12.387 -5.484 468 1HB ASN 60 1HB ASN 60 -1.467 12.466 -7.592 469 2HB ASN 60 2HB ASN 60 -2.968 11.743 -7.007 470 1HD2 ASN 60 1HD2 ASN 60 -4.646 13.151 -6.189 471 2HD2 ASN 60 2HD2 ASN 60 -4.393 14.875 -6.135 472 H MET 61 H MET 61 -3.188 10.630 -4.203 473 HA MET 61 HA MET 61 -4.179 12.887 -2.592 474 1HB MET 61 1HB MET 61 -4.857 9.921 -2.536 475 2HB MET 61 2HB MET 61 -5.737 11.183 -1.695 476 1HG MET 61 1HG MET 61 -5.452 10.981 -4.730 477 2HG MET 61 2HG MET 61 -6.780 10.294 -3.816 478 1HE MET 61 1HE MET 61 -8.406 11.446 -2.443 479 2HE MET 61 2HE MET 61 -7.491 12.731 -1.613 480 3HE MET 61 3HE MET 61 -8.908 13.138 -2.604 481 H LEU 62 H LEU 62 -2.221 9.876 -2.238 482 HA LEU 62 HA LEU 62 -2.152 9.931 0.634 483 1HB LEU 62 1HB LEU 62 -0.370 8.534 -1.414 484 2HB LEU 62 2HB LEU 62 -0.482 8.115 0.281 485 HG LEU 62 HG LEU 62 -2.813 7.993 -1.636 486 1HD1 LEU 62 1HD1 LEU 62 -1.062 6.421 -2.295 487 2HD1 LEU 62 2HD1 LEU 62 -1.111 5.688 -0.683 488 3HD1 LEU 62 3HD1 LEU 62 -2.531 5.604 -1.761 489 1HD2 LEU 62 1HD2 LEU 62 -2.398 6.956 1.183 490 2HD2 LEU 62 2HD2 LEU 62 -3.545 8.209 0.642 491 3HD2 LEU 62 3HD2 LEU 62 -3.774 6.529 0.149 492 H ASP 63 H ASP 63 -0.006 10.919 -1.959 493 HA ASP 63 HA ASP 63 1.963 12.066 -0.052 494 1HB ASP 63 1HB ASP 63 2.797 10.374 -1.576 495 2HB ASP 63 2HB ASP 63 2.256 11.298 -2.973 496 HA PRO 64 HA PRO 64 -0.346 15.688 -1.528 497 1HB PRO 64 1HB PRO 64 0.670 17.518 0.287 498 2HB PRO 64 2HB PRO 64 -0.671 16.377 0.674 499 1HG PRO 64 1HG PRO 64 2.288 16.199 1.288 500 2HG PRO 64 2HG PRO 64 0.916 15.783 2.361 501 1HD PRO 64 1HD PRO 64 2.347 13.916 0.971 502 2HD PRO 64 2HD PRO 64 0.594 13.717 1.268 503 H GLU 65 H GLU 65 3.079 15.485 -1.145 504 HA GLU 65 HA GLU 65 3.781 17.958 -2.520 505 1HB GLU 65 1HB GLU 65 5.476 15.455 -2.130 506 2HB GLU 65 2HB GLU 65 6.053 17.080 -2.514 507 1HG GLU 65 1HG GLU 65 5.383 17.873 -0.288 508 2HG GLU 65 2HG GLU 65 4.640 16.305 0.051 509 H GLY 66 H GLY 66 2.923 14.646 -3.301 510 1HA GLY 66 1HA GLY 66 3.009 15.052 -6.165 511 2HA GLY 66 2HA GLY 66 2.507 13.601 -5.297 512 H ASN 67 H ASN 67 5.085 13.577 -3.688 513 HA ASN 67 HA ASN 67 7.288 13.257 -5.589 514 1HB ASN 67 1HB ASN 67 6.924 12.771 -2.675 515 2HB ASN 67 2HB ASN 67 8.017 11.621 -3.419 516 1HD2 ASN 67 1HD2 ASN 67 7.486 14.981 -2.537 517 2HD2 ASN 67 2HD2 ASN 67 9.145 15.512 -2.804 518 H LEU 68 H LEU 68 5.245 10.940 -3.789 519 HA LEU 68 HA LEU 68 6.299 8.627 -4.967 520 1HB LEU 68 1HB LEU 68 5.000 8.815 -2.840 521 2HB LEU 68 2HB LEU 68 3.531 9.045 -3.786 522 HG LEU 68 HG LEU 68 3.717 6.801 -4.751 523 1HD1 LEU 68 1HD1 LEU 68 6.310 6.561 -3.168 524 2HD1 LEU 68 2HD1 LEU 68 5.416 5.177 -3.819 525 3HD1 LEU 68 3HD1 LEU 68 6.090 6.373 -4.927 526 1HD2 LEU 68 1HD2 LEU 68 4.131 6.818 -1.731 527 2HD2 LEU 68 2HD2 LEU 68 2.590 7.068 -2.594 528 3HD2 LEU 68 3HD2 LEU 68 3.442 5.493 -2.695 529 H HIS 69 H HIS 69 6.393 8.315 -7.129 530 HA HIS 69 HA HIS 69 4.013 8.784 -8.829 531 1HB HIS 69 1HB HIS 69 6.919 8.236 -9.413 532 2HB HIS 69 2HB HIS 69 5.749 8.252 -10.670 533 HD1 HIS 69 HD1 HIS 69 4.088 10.743 -10.456 534 HD2 HIS 69 HD2 HIS 69 8.058 10.645 -9.014 535 HE1 HIS 69 HE1 HIS 69 4.822 13.147 -10.116 536 H HIS 70 H HIS 70 3.862 7.057 -10.567 537 HA HIS 70 HA HIS 70 3.537 4.389 -9.302 538 1HB HIS 70 1HB HIS 70 1.617 5.185 -10.525 539 2HB HIS 70 2HB HIS 70 2.607 5.628 -11.902 540 HD1 HIS 70 HD1 HIS 70 3.487 3.653 -13.531 541 HD2 HIS 70 HD2 HIS 70 0.866 2.633 -10.416 542 HE1 HIS 70 HE1 HIS 70 2.613 1.314 -14.063 543 H GLY 71 H GLY 71 4.738 2.682 -10.054 544 1HA GLY 71 1HA GLY 71 6.351 2.495 -12.313 545 2HA GLY 71 2HA GLY 71 6.560 1.591 -10.809 546 H ASN 72 H ASN 72 7.000 4.402 -9.412 547 HA ASN 72 HA ASN 72 9.872 4.409 -9.749 548 1HB ASN 72 1HB ASN 72 8.898 5.882 -11.694 549 2HB ASN 72 2HB ASN 72 8.421 6.997 -10.468 550 1HD2 ASN 72 1HD2 ASN 72 9.927 8.469 -11.614 551 2HD2 ASN 72 2HD2 ASN 72 11.625 8.425 -11.164 552 H ALA 73 H ALA 73 9.528 3.823 -7.442 553 HA ALA 73 HA ALA 73 8.526 6.071 -5.744 554 1HB ALA 73 1HB ALA 73 7.196 4.020 -5.673 555 2HB ALA 73 2HB ALA 73 7.998 4.311 -4.117 556 3HB ALA 73 3HB ALA 73 8.639 3.079 -5.216 557 H MET 74 H MET 74 11.506 5.333 -6.755 558 HA MET 74 HA MET 74 12.785 4.238 -4.407 559 1HB MET 74 1HB MET 74 13.767 5.414 -7.054 560 2HB MET 74 2HB MET 74 14.865 4.996 -5.736 561 1HG MET 74 1HG MET 74 14.015 2.677 -5.729 562 2HG MET 74 2HG MET 74 12.983 3.057 -7.119 563 1HE MET 74 1HE MET 74 15.261 0.728 -6.800 564 2HE MET 74 2HE MET 74 14.233 0.866 -8.249 565 3HE MET 74 3HE MET 74 16.003 0.756 -8.418 566 H GLU 75 H GLU 75 12.235 7.493 -5.786 567 HA GLU 75 HA GLU 75 14.160 8.738 -4.026 568 1HB GLU 75 1HB GLU 75 11.950 9.740 -5.802 569 2HB GLU 75 2HB GLU 75 12.711 10.831 -4.626 570 1HG GLU 75 1HG GLU 75 14.956 10.160 -5.554 571 2HG GLU 75 2HG GLU 75 14.104 9.263 -6.841 572 H PHE 76 H PHE 76 10.487 8.591 -3.673 573 HA PHE 76 HA PHE 76 10.322 9.452 -1.055 574 1HB PHE 76 1HB PHE 76 8.388 9.086 -2.364 575 2HB PHE 76 2HB PHE 76 8.870 7.454 -2.785 576 HD1 PHE 76 HD1 PHE 76 8.271 5.598 -1.565 577 HD2 PHE 76 HD2 PHE 76 7.498 9.531 -0.047 578 HE1 PHE 76 HE1 PHE 76 6.727 4.618 0.155 579 HE2 PHE 76 HE2 PHE 76 6.091 8.483 1.849 580 HZ PHE 76 HZ PHE 76 5.707 6.109 1.875 581 H ALA 77 H ALA 77 11.202 6.105 -2.196 582 HA ALA 77 HA ALA 77 11.441 5.033 0.423 583 1HB ALA 77 1HB ALA 77 13.008 4.192 -2.060 584 2HB ALA 77 2HB ALA 77 11.338 3.701 -1.707 585 3HB ALA 77 3HB ALA 77 12.652 3.209 -0.637 586 H LYS 78 H LYS 78 13.961 6.562 -1.640 587 HA LYS 78 HA LYS 78 16.095 6.257 0.210 588 1HB LYS 78 1HB LYS 78 15.706 8.345 -1.987 589 2HB LYS 78 2HB LYS 78 17.162 8.193 -1.016 590 1HG LYS 78 1HG LYS 78 16.790 5.580 -1.922 591 2HG LYS 78 2HG LYS 78 16.223 6.535 -3.274 592 1HD LYS 78 1HD LYS 78 18.503 5.989 -3.614 593 2HD LYS 78 2HD LYS 78 18.358 7.736 -3.390 594 1HE LYS 78 1HE LYS 78 19.311 7.648 -1.211 595 2HE LYS 78 2HE LYS 78 19.086 5.914 -1.058 596 1HZ LYS 78 1HZ LYS 78 20.895 7.092 -3.071 597 2HZ LYS 78 2HZ LYS 78 21.398 6.684 -1.561 598 3HZ LYS 78 3HZ LYS 78 20.845 5.534 -2.615 599 H LYS 79 H LYS 79 13.534 8.738 0.087 600 HA LYS 79 HA LYS 79 14.749 10.486 2.027 601 1HB LYS 79 1HB LYS 79 11.818 9.880 1.569 602 2HB LYS 79 2HB LYS 79 12.437 11.161 2.605 603 1HG LYS 79 1HG LYS 79 13.775 11.986 0.550 604 2HG LYS 79 2HG LYS 79 12.690 11.000 -0.417 605 1HD LYS 79 1HD LYS 79 11.737 13.108 1.549 606 2HD LYS 79 2HD LYS 79 12.134 13.476 -0.132 607 1HE LYS 79 1HE LYS 79 10.486 11.790 -0.909 608 2HE LYS 79 2HE LYS 79 10.019 11.489 0.778 609 1HZ LYS 79 1HZ LYS 79 9.367 13.833 0.928 610 2HZ LYS 79 2HZ LYS 79 9.708 14.061 -0.658 611 3HZ LYS 79 3HZ LYS 79 8.501 13.054 -0.194 612 H HIS 80 H HIS 80 13.403 7.219 2.440 613 HA HIS 80 HA HIS 80 13.469 7.637 5.370 614 1HB HIS 80 1HB HIS 80 11.745 5.799 3.734 615 2HB HIS 80 2HB HIS 80 11.633 6.082 5.483 616 HD1 HIS 80 HD1 HIS 80 9.502 6.878 2.836 617 HD2 HIS 80 HD2 HIS 80 11.699 9.298 5.493 618 HE1 HIS 80 HE1 HIS 80 8.468 9.143 2.731 619 H GLY 81 H GLY 81 15.623 6.968 3.482 620 1HA GLY 81 1HA GLY 81 16.767 5.073 5.289 621 2HA GLY 81 2HA GLY 81 17.609 6.017 4.044 622 H ALA 82 H ALA 82 15.091 4.360 2.704 623 HA ALA 82 HA ALA 82 16.496 1.767 2.223 624 1HB ALA 82 1HB ALA 82 14.457 1.308 0.789 625 2HB ALA 82 2HB ALA 82 14.077 1.590 2.503 626 3HB ALA 82 3HB ALA 82 13.799 2.869 1.305 627 H ASP 83 H ASP 83 18.226 2.056 0.805 628 HA ASP 83 HA ASP 83 18.217 4.189 -1.159 629 1HB ASP 83 1HB ASP 83 20.316 2.991 -1.937 630 2HB ASP 83 2HB ASP 83 20.350 3.782 -0.406 631 H GLU 84 H GLU 84 19.085 3.229 -3.441 632 HA GLU 84 HA GLU 84 16.710 2.325 -4.729 633 1HB GLU 84 1HB GLU 84 19.579 2.095 -5.732 634 2HB GLU 84 2HB GLU 84 18.101 2.107 -6.729 635 1HG GLU 84 1HG GLU 84 17.652 4.424 -5.731 636 2HG GLU 84 2HG GLU 84 19.267 4.290 -5.008 637 H THR 85 H THR 85 19.518 0.688 -3.529 638 HA THR 85 HA THR 85 18.835 -1.933 -4.622 639 HB THR 85 HB THR 85 20.604 -1.348 -2.207 640 HG1 THR 85 HG1 THR 85 21.302 -1.615 -4.951 641 1HG2 THR 85 1HG2 THR 85 19.953 -3.746 -2.525 642 2HG2 THR 85 2HG2 THR 85 20.587 -3.672 -4.172 643 3HG2 THR 85 3HG2 THR 85 21.674 -3.458 -2.762 644 H MET 86 H MET 86 18.334 -0.464 -1.286 645 HA MET 86 HA MET 86 16.914 -2.641 -0.225 646 1HB MET 86 1HB MET 86 16.889 0.367 0.221 647 2HB MET 86 2HB MET 86 15.934 -0.720 1.166 648 1HG MET 86 1HG MET 86 18.256 -1.983 1.435 649 2HG MET 86 2HG MET 86 18.890 -0.378 1.134 650 1HE MET 86 1HE MET 86 19.481 -2.052 3.594 651 2HE MET 86 2HE MET 86 20.091 -0.377 3.505 652 3HE MET 86 3HE MET 86 19.261 -0.956 4.971 653 H ALA 87 H ALA 87 15.797 0.144 -2.204 654 HA ALA 87 HA ALA 87 13.013 -0.605 -2.114 655 1HB ALA 87 1HB ALA 87 13.776 1.641 -2.837 656 2HB ALA 87 2HB ALA 87 12.813 0.859 -4.093 657 3HB ALA 87 3HB ALA 87 14.585 0.924 -4.251 658 H GLN 88 H GLN 88 15.569 -1.257 -4.621 659 HA GLN 88 HA GLN 88 13.853 -2.836 -6.145 660 1HB GLN 88 1HB GLN 88 16.192 -1.892 -6.762 661 2HB GLN 88 2HB GLN 88 16.852 -3.333 -5.999 662 1HG GLN 88 1HG GLN 88 16.655 -3.692 -8.405 663 2HG GLN 88 2HG GLN 88 15.544 -4.754 -7.564 664 1HE2 GLN 88 1HE2 GLN 88 14.755 -1.293 -8.003 665 2HE2 GLN 88 2HE2 GLN 88 13.538 -1.578 -9.240 666 H GLN 89 H GLN 89 15.759 -3.831 -3.342 667 HA GLN 89 HA GLN 89 15.430 -6.650 -3.418 668 1HB GLN 89 1HB GLN 89 15.478 -4.563 -1.210 669 2HB GLN 89 2HB GLN 89 15.111 -6.200 -0.801 670 1HG GLN 89 1HG GLN 89 17.661 -5.393 -2.264 671 2HG GLN 89 2HG GLN 89 17.518 -5.376 -0.515 672 1HE2 GLN 89 1HE2 GLN 89 19.481 -6.947 -0.922 673 2HE2 GLN 89 2HE2 GLN 89 19.012 -8.613 -1.229 674 H LEU 90 H LEU 90 13.131 -4.074 -2.429 675 HA LEU 90 HA LEU 90 11.002 -5.959 -1.756 676 1HB LEU 90 1HB LEU 90 10.969 -2.941 -2.111 677 2HB LEU 90 2HB LEU 90 9.688 -3.904 -1.444 678 HG LEU 90 HG LEU 90 12.469 -3.662 -0.214 679 1HD1 LEU 90 1HD1 LEU 90 11.293 -1.499 -0.298 680 2HD1 LEU 90 2HD1 LEU 90 9.903 -2.198 0.539 681 3HD1 LEU 90 3HD1 LEU 90 11.487 -2.063 1.348 682 1HD2 LEU 90 1HD2 LEU 90 11.044 -5.730 0.411 683 2HD2 LEU 90 2HD2 LEU 90 11.683 -4.725 1.716 684 3HD2 LEU 90 3HD2 LEU 90 9.988 -4.554 1.246 685 H ILE 91 H ILE 91 11.633 -3.643 -4.468 686 HA ILE 91 HA ILE 91 9.216 -4.292 -5.806 687 HB ILE 91 HB ILE 91 11.844 -3.171 -6.830 688 1HG1 ILE 91 1HG1 ILE 91 9.764 -1.308 -7.158 689 2HG1 ILE 91 2HG1 ILE 91 9.311 -2.118 -5.665 690 1HG2 ILE 91 1HG2 ILE 91 9.240 -3.506 -8.342 691 2HG2 ILE 91 2HG2 ILE 91 10.592 -2.485 -8.871 692 3HG2 ILE 91 3HG2 ILE 91 10.819 -4.234 -8.760 693 1HD1 ILE 91 1HD1 ILE 91 12.095 -1.012 -5.952 694 2HD1 ILE 91 2HD1 ILE 91 10.721 0.048 -5.610 695 3HD1 ILE 91 3HD1 ILE 91 11.062 -1.249 -4.496 696 H ASP 92 H ASP 92 12.340 -6.020 -5.908 697 HA ASP 92 HA ASP 92 11.680 -7.839 -7.991 698 1HB ASP 92 1HB ASP 92 13.832 -7.554 -6.240 699 2HB ASP 92 2HB ASP 92 13.141 -9.051 -5.685 700 H ILE 93 H ILE 93 11.113 -8.057 -4.460 701 HA ILE 93 HA ILE 93 9.481 -10.331 -4.396 702 HB ILE 93 HB ILE 93 9.724 -7.845 -2.655 703 1HG1 ILE 93 1HG1 ILE 93 10.630 -10.676 -2.257 704 2HG1 ILE 93 2HG1 ILE 93 11.658 -9.408 -2.858 705 1HG2 ILE 93 1HG2 ILE 93 8.010 -10.270 -2.149 706 2HG2 ILE 93 2HG2 ILE 93 8.441 -9.024 -0.948 707 3HG2 ILE 93 3HG2 ILE 93 7.464 -8.594 -2.333 708 1HD1 ILE 93 1HD1 ILE 93 10.347 -9.220 -0.120 709 2HD1 ILE 93 2HD1 ILE 93 11.980 -9.792 -0.431 710 3HD1 ILE 93 3HD1 ILE 93 11.525 -8.120 -0.837 711 H VAL 94 H VAL 94 8.500 -6.856 -4.981 712 HA VAL 94 HA VAL 94 5.769 -7.371 -4.867 713 HB VAL 94 HB VAL 94 7.325 -5.282 -6.404 714 1HG1 VAL 94 1HG1 VAL 94 5.082 -5.646 -7.658 715 2HG1 VAL 94 2HG1 VAL 94 4.299 -4.955 -6.234 716 3HG1 VAL 94 3HG1 VAL 94 5.506 -4.042 -7.118 717 1HG2 VAL 94 1HG2 VAL 94 7.198 -5.059 -3.947 718 2HG2 VAL 94 2HG2 VAL 94 6.337 -3.748 -4.761 719 3HG2 VAL 94 3HG2 VAL 94 5.431 -5.087 -3.996 720 H HIS 95 H HIS 95 7.942 -7.529 -7.714 721 HA HIS 95 HA HIS 95 5.795 -8.451 -9.458 722 1HB HIS 95 1HB HIS 95 8.810 -8.425 -9.864 723 2HB HIS 95 2HB HIS 95 7.582 -8.592 -11.124 724 HD1 HIS 95 HD1 HIS 95 9.760 -6.271 -11.008 725 HD2 HIS 95 HD2 HIS 95 5.766 -6.014 -9.720 726 HE1 HIS 95 HE1 HIS 95 9.144 -3.758 -10.949 727 H GLY 96 H GLY 96 8.076 -9.959 -7.311 728 1HA GLY 96 1HA GLY 96 8.525 -12.090 -6.746 729 2HA GLY 96 2HA GLY 96 7.978 -12.638 -8.360 730 H CYS 97 H CYS 97 5.912 -10.756 -6.330 731 HA CYS 97 HA CYS 97 4.670 -13.106 -5.062 732 1HB CYS 97 1HB CYS 97 4.559 -10.120 -4.653 733 2HB CYS 97 2HB CYS 97 3.296 -11.146 -3.983 734 H GLU 98 H GLU 98 4.065 -10.937 -7.666 735 HA GLU 98 HA GLU 98 1.275 -11.414 -8.035 736 1HB GLU 98 1HB GLU 98 3.513 -10.829 -9.960 737 2HB GLU 98 2HB GLU 98 1.844 -10.931 -10.450 738 1HG GLU 98 1HG GLU 98 1.339 -9.032 -8.855 739 2HG GLU 98 2HG GLU 98 3.040 -8.981 -8.462 740 H LYS 99 H LYS 99 4.147 -13.385 -8.345 741 HA LYS 99 HA LYS 99 3.236 -15.073 -10.528 742 1HB LYS 99 1HB LYS 99 5.637 -15.579 -8.799 743 2HB LYS 99 2HB LYS 99 5.259 -16.136 -10.444 744 1HG LYS 99 1HG LYS 99 5.815 -13.303 -9.607 745 2HG LYS 99 2HG LYS 99 6.898 -14.413 -10.446 746 1HD LYS 99 1HD LYS 99 4.267 -13.518 -11.584 747 2HD LYS 99 2HD LYS 99 5.797 -12.688 -11.897 748 1HE LYS 99 1HE LYS 99 6.705 -14.920 -12.738 749 2HE LYS 99 2HE LYS 99 5.056 -15.553 -12.589 750 1HZ LYS 99 1HZ LYS 99 4.492 -13.510 -14.051 751 2HZ LYS 99 2HZ LYS 99 6.098 -13.521 -14.412 752 3HZ LYS 99 3HZ LYS 99 5.173 -14.857 -14.739 753 H SER 100 H SER 100 4.061 -15.476 -7.073 754 HA SER 100 HA SER 100 3.145 -18.160 -6.705 755 1HB SER 100 1HB SER 100 3.128 -17.378 -4.282 756 2HB SER 100 2HB SER 100 4.663 -17.420 -5.178 757 HG SER 100 HG SER 100 4.781 -15.434 -4.461 758 H THR 101 H THR 101 1.610 -14.957 -6.250 759 HA THR 101 HA THR 101 -0.926 -16.077 -5.513 760 HB THR 101 HB THR 101 -0.459 -13.374 -6.843 761 HG1 THR 101 HG1 THR 101 0.755 -13.370 -5.056 762 1HG2 THR 101 1HG2 THR 101 -2.670 -14.446 -5.075 763 2HG2 THR 101 2HG2 THR 101 -2.466 -12.741 -5.547 764 3HG2 THR 101 3HG2 THR 101 -2.810 -13.967 -6.770 765 HA PRO 102 HA PRO 102 -1.842 -17.421 -9.771 766 1HB PRO 102 1HB PRO 102 -4.189 -18.728 -9.344 767 2HB PRO 102 2HB PRO 102 -2.618 -19.420 -8.828 768 1HG PRO 102 1HG PRO 102 -4.637 -17.937 -7.157 769 2HG PRO 102 2HG PRO 102 -3.729 -19.429 -6.754 770 1HD PRO 102 1HD PRO 102 -2.993 -16.901 -5.912 771 2HD PRO 102 2HD PRO 102 -1.839 -18.249 -6.135 772 H ALA 103 H ALA 103 -3.315 -16.646 -11.350 773 HA ALA 103 HA ALA 103 -4.202 -13.988 -10.914 774 1HB ALA 103 1HB ALA 103 -4.783 -15.860 -13.247 775 2HB ALA 103 2HB ALA 103 -3.317 -14.875 -13.044 776 3HB ALA 103 3HB ALA 103 -4.901 -14.092 -13.208 777 H ASN 104 H ASN 104 -5.694 -13.987 -9.299 778 HA ASN 104 HA ASN 104 -8.072 -15.610 -9.227 779 1HB ASN 104 1HB ASN 104 -6.895 -14.179 -7.353 780 2HB ASN 104 2HB ASN 104 -7.867 -12.873 -7.900 781 1HD2 ASN 104 1HD2 ASN 104 -7.685 -15.385 -5.816 782 2HD2 ASN 104 2HD2 ASN 104 -9.412 -15.560 -5.496 783 H ASP 105 H ASP 105 -10.181 -15.108 -10.014 784 HA ASP 105 HA ASP 105 -10.397 -13.299 -12.103 785 1HB ASP 105 1HB ASP 105 -11.882 -15.259 -11.798 786 2HB ASP 105 2HB ASP 105 -12.695 -14.406 -10.470 787 H ASP 106 H ASP 106 -10.496 -12.858 -8.693 788 HA ASP 106 HA ASP 106 -11.940 -10.252 -8.861 789 1HB ASP 106 1HB ASP 106 -12.528 -12.162 -7.147 790 2HB ASP 106 2HB ASP 106 -11.047 -11.817 -6.446 791 H LYS 107 H LYS 107 -10.353 -8.560 -9.348 792 HA LYS 107 HA LYS 107 -7.670 -8.834 -8.827 793 1HB LYS 107 1HB LYS 107 -9.324 -7.226 -10.330 794 2HB LYS 107 2HB LYS 107 -8.850 -6.101 -9.076 795 1HG LYS 107 1HG LYS 107 -6.864 -7.847 -10.613 796 2HG LYS 107 2HG LYS 107 -7.296 -6.157 -11.081 797 1HD LYS 107 1HD LYS 107 -6.736 -5.891 -8.463 798 2HD LYS 107 2HD LYS 107 -5.793 -7.293 -8.804 799 1HE LYS 107 1HE LYS 107 -5.640 -4.644 -10.355 800 2HE LYS 107 2HE LYS 107 -4.607 -4.989 -8.971 801 1HZ LYS 107 1HZ LYS 107 -3.604 -6.804 -10.225 802 2HZ LYS 107 2HZ LYS 107 -4.507 -6.460 -11.550 803 3HZ LYS 107 3HZ LYS 107 -3.425 -5.392 -10.986 804 H CYS 108 H CYS 108 -10.340 -7.672 -6.781 805 HA CYS 108 HA CYS 108 -8.701 -6.268 -4.879 806 1HB CYS 108 1HB CYS 108 -11.066 -7.996 -4.116 807 2HB CYS 108 2HB CYS 108 -10.508 -6.539 -3.385 808 H ILE 109 H ILE 109 -9.741 -9.657 -5.203 809 HA ILE 109 HA ILE 109 -8.405 -10.592 -2.804 810 HB ILE 109 HB ILE 109 -9.667 -12.150 -5.104 811 1HG1 ILE 109 1HG1 ILE 109 -10.792 -11.256 -2.405 812 2HG1 ILE 109 2HG1 ILE 109 -11.233 -10.590 -3.952 813 1HG2 ILE 109 1HG2 ILE 109 -8.857 -13.040 -2.310 814 2HG2 ILE 109 2HG2 ILE 109 -9.724 -14.026 -3.507 815 3HG2 ILE 109 3HG2 ILE 109 -8.070 -13.502 -3.840 816 1HD1 ILE 109 1HD1 ILE 109 -11.975 -12.960 -4.614 817 2HD1 ILE 109 2HD1 ILE 109 -11.886 -13.309 -2.868 818 3HD1 ILE 109 3HD1 ILE 109 -12.962 -12.027 -3.477 819 H TRP 110 H TRP 110 -7.612 -10.821 -6.261 820 HA TRP 110 HA TRP 110 -5.101 -12.104 -6.012 821 1HB TRP 110 1HB TRP 110 -6.095 -11.619 -8.187 822 2HB TRP 110 2HB TRP 110 -5.932 -9.912 -7.938 823 HD1 TRP 110 HD1 TRP 110 -3.931 -13.062 -8.631 824 HE1 TRP 110 HE1 TRP 110 -1.728 -12.487 -9.853 825 HE3 TRP 110 HE3 TRP 110 -3.928 -8.016 -7.945 826 HZ2 TRP 110 HZ2 TRP 110 -0.142 -10.102 -10.406 827 HZ3 TRP 110 HZ3 TRP 110 -2.063 -6.617 -8.808 828 HH2 TRP 110 HH2 TRP 110 -0.248 -7.650 -10.123 829 H THR 111 H THR 111 -5.519 -8.389 -6.142 830 HA THR 111 HA THR 111 -3.087 -7.741 -5.270 831 HB THR 111 HB THR 111 -5.804 -6.526 -4.667 832 HG1 THR 111 HG1 THR 111 -5.150 -5.420 -6.606 833 1HG2 THR 111 1HG2 THR 111 -3.043 -5.268 -4.618 834 2HG2 THR 111 2HG2 THR 111 -4.545 -4.351 -4.736 835 3HG2 THR 111 3HG2 THR 111 -4.215 -5.338 -3.291 836 H LEU 112 H LEU 112 -5.742 -8.716 -2.898 837 HA LEU 112 HA LEU 112 -4.117 -8.130 -0.640 838 1HB LEU 112 1HB LEU 112 -6.503 -8.502 -0.685 839 2HB LEU 112 2HB LEU 112 -6.242 -10.233 -0.770 840 HG LEU 112 HG LEU 112 -5.266 -10.305 1.443 841 1HD1 LEU 112 1HD1 LEU 112 -5.004 -7.253 1.356 842 2HD1 LEU 112 2HD1 LEU 112 -4.869 -8.233 2.835 843 3HD1 LEU 112 3HD1 LEU 112 -3.682 -8.426 1.545 844 1HD2 LEU 112 1HD2 LEU 112 -7.315 -8.109 1.231 845 2HD2 LEU 112 2HD2 LEU 112 -7.638 -9.855 1.314 846 3HD2 LEU 112 3HD2 LEU 112 -6.993 -9.005 2.745 847 H GLY 113 H GLY 113 -4.402 -11.013 -2.684 848 1HA GLY 113 1HA GLY 113 -3.058 -12.802 -3.010 849 2HA GLY 113 2HA GLY 113 -2.819 -12.902 -1.251 850 H VAL 114 H VAL 114 -1.927 -10.614 -3.915 851 HA VAL 114 HA VAL 114 0.821 -11.079 -3.811 852 HB VAL 114 HB VAL 114 -0.249 -8.344 -4.534 853 1HG1 VAL 114 1HG1 VAL 114 2.215 -8.973 -4.524 854 2HG1 VAL 114 2HG1 VAL 114 1.833 -10.155 -5.771 855 3HG1 VAL 114 3HG1 VAL 114 1.602 -8.448 -6.116 856 1HG2 VAL 114 1HG2 VAL 114 -0.552 -10.906 -6.157 857 2HG2 VAL 114 2HG2 VAL 114 -1.776 -9.655 -5.813 858 3HG2 VAL 114 3HG2 VAL 114 -0.463 -9.299 -6.905 859 H ALA 115 H ALA 115 -1.053 -8.506 -2.101 860 HA ALA 115 HA ALA 115 1.125 -7.352 -0.743 861 1HB ALA 115 1HB ALA 115 -1.105 -6.303 -0.949 862 2HB ALA 115 2HB ALA 115 -0.614 -6.394 0.758 863 3HB ALA 115 3HB ALA 115 -1.802 -7.545 0.121 864 H THR 116 H THR 116 -0.807 -10.204 0.197 865 HA THR 116 HA THR 116 0.289 -10.434 2.870 866 HB THR 116 HB THR 116 -1.008 -12.443 0.978 867 HG1 THR 116 HG1 THR 116 -2.403 -10.942 1.595 868 1HG2 THR 116 1HG2 THR 116 -0.255 -12.788 3.910 869 2HG2 THR 116 2HG2 THR 116 -1.397 -13.831 3.018 870 3HG2 THR 116 3HG2 THR 116 0.298 -13.753 2.535 871 H CYS 117 H CYS 117 1.108 -11.862 -0.338 872 HA CYS 117 HA CYS 117 3.345 -13.345 0.493 873 1HB CYS 117 1HB CYS 117 2.348 -13.720 -1.642 874 2HB CYS 117 2HB CYS 117 2.601 -12.060 -2.147 875 H PHE 118 H PHE 118 3.236 -9.850 -0.725 876 HA PHE 118 HA PHE 118 5.903 -9.403 -0.644 877 1HB PHE 118 1HB PHE 118 4.192 -7.829 -1.433 878 2HB PHE 118 2HB PHE 118 3.685 -7.501 0.217 879 HD1 PHE 118 HD1 PHE 118 7.233 -7.772 0.236 880 HD2 PHE 118 HD2 PHE 118 4.127 -5.106 -1.011 881 HE1 PHE 118 HE1 PHE 118 8.816 -5.976 0.210 882 HE2 PHE 118 HE2 PHE 118 5.750 -3.201 -0.835 883 HZ PHE 118 HZ PHE 118 8.034 -3.593 -0.177 884 H LYS 119 H LYS 119 3.808 -8.693 2.125 885 HA LYS 119 HA LYS 119 5.617 -8.133 4.126 886 1HB LYS 119 1HB LYS 119 2.925 -8.573 3.980 887 2HB LYS 119 2HB LYS 119 3.354 -9.990 4.841 888 1HG LYS 119 1HG LYS 119 4.127 -7.158 5.733 889 2HG LYS 119 2HG LYS 119 2.695 -8.042 6.270 890 1HD LYS 119 1HD LYS 119 4.268 -9.890 7.079 891 2HD LYS 119 2HD LYS 119 5.600 -8.762 6.836 892 1HE LYS 119 1HE LYS 119 3.166 -8.194 8.597 893 2HE LYS 119 2HE LYS 119 4.666 -8.930 9.179 894 1HZ LYS 119 1HZ LYS 119 5.845 -6.940 8.437 895 2HZ LYS 119 2HZ LYS 119 4.406 -6.207 8.093 896 3HZ LYS 119 3HZ LYS 119 4.764 -6.668 9.636 897 H ALA 120 H ALA 120 4.486 -11.380 3.257 898 HA ALA 120 HA ALA 120 6.048 -12.773 5.202 899 1HB ALA 120 1HB ALA 120 5.444 -14.775 4.007 900 2HB ALA 120 2HB ALA 120 4.045 -13.684 4.010 901 3HB ALA 120 3HB ALA 120 5.044 -13.843 2.542 902 H GLU 121 H GLU 121 7.006 -11.551 2.011 903 HA GLU 121 HA GLU 121 9.566 -12.997 2.032 904 1HB GLU 121 1HB GLU 121 8.458 -10.743 0.341 905 2HB GLU 121 2HB GLU 121 10.067 -11.394 0.145 906 1HG GLU 121 1HG GLU 121 7.694 -13.281 0.002 907 2HG GLU 121 2HG GLU 121 8.133 -12.278 -1.372 908 H ILE 122 H ILE 122 8.345 -9.664 2.807 909 HA ILE 122 HA ILE 122 10.827 -8.488 3.366 910 HB ILE 122 HB ILE 122 8.248 -8.059 4.917 911 1HG1 ILE 122 1HG1 ILE 122 9.362 -6.583 2.508 912 2HG1 ILE 122 2HG1 ILE 122 7.958 -7.621 2.528 913 1HG2 ILE 122 1HG2 ILE 122 10.197 -7.229 6.165 914 2HG2 ILE 122 2HG2 ILE 122 10.744 -6.331 4.735 915 3HG2 ILE 122 3HG2 ILE 122 9.231 -5.906 5.581 916 1HD1 ILE 122 1HD1 ILE 122 6.895 -6.058 4.240 917 2HD1 ILE 122 2HD1 ILE 122 8.193 -4.907 3.830 918 3HD1 ILE 122 3HD1 ILE 122 7.056 -5.444 2.591 919 H HIS 123 H HIS 123 8.879 -10.660 5.386 920 HA HIS 123 HA HIS 123 10.323 -10.533 7.751 921 1HB HIS 123 1HB HIS 123 8.125 -11.718 7.095 922 2HB HIS 123 2HB HIS 123 9.142 -13.073 6.617 923 HD1 HIS 123 HD1 HIS 123 8.673 -14.788 8.509 924 HD2 HIS 123 HD2 HIS 123 9.150 -10.817 9.838 925 HE1 HIS 123 HE1 HIS 123 8.412 -14.864 10.980 926 H LYS 124 H LYS 124 11.378 -12.089 4.749 927 HA LYS 124 HA LYS 124 13.522 -13.671 6.028 928 1HB LYS 124 1HB LYS 124 12.722 -13.005 3.169 929 2HB LYS 124 2HB LYS 124 14.196 -13.845 3.516 930 1HG LYS 124 1HG LYS 124 13.184 -15.817 4.145 931 2HG LYS 124 2HG LYS 124 11.657 -15.032 4.627 932 1HD LYS 124 1HD LYS 124 10.994 -14.627 2.433 933 2HD LYS 124 2HD LYS 124 12.603 -14.890 1.749 934 1HE LYS 124 1HE LYS 124 12.468 -17.191 1.844 935 2HE LYS 124 2HE LYS 124 11.169 -17.193 3.061 936 1HZ LYS 124 1HZ LYS 124 10.654 -15.933 0.472 937 2HZ LYS 124 2HZ LYS 124 10.582 -17.580 0.559 938 3HZ LYS 124 3HZ LYS 124 9.615 -16.607 1.502 939 H LEU 125 H LEU 125 13.138 -10.356 4.768 940 HA LEU 125 HA LEU 125 15.891 -10.035 3.976 941 1HB LEU 125 1HB LEU 125 13.733 -8.076 4.777 942 2HB LEU 125 2HB LEU 125 15.319 -7.522 4.427 943 HG LEU 125 HG LEU 125 13.837 -9.200 2.365 944 1HD1 LEU 125 1HD1 LEU 125 12.445 -7.186 2.913 945 2HD1 LEU 125 2HD1 LEU 125 13.820 -6.146 2.517 946 3HD1 LEU 125 3HD1 LEU 125 13.078 -7.185 1.268 947 1HD2 LEU 125 1HD2 LEU 125 16.190 -7.253 2.390 948 2HD2 LEU 125 2HD2 LEU 125 16.225 -8.979 2.014 949 3HD2 LEU 125 3HD2 LEU 125 15.464 -7.869 0.880 950 H ASN 126 H ASN 126 17.371 -8.745 5.034 951 HA ASN 126 HA ASN 126 17.649 -9.449 7.891 952 1HB ASN 126 1HB ASN 126 19.588 -9.575 6.275 953 2HB ASN 126 2HB ASN 126 19.600 -7.809 6.227 954 1HD2 ASN 126 1HD2 ASN 126 21.236 -7.054 7.562 955 2HD2 ASN 126 2HD2 ASN 126 21.679 -7.824 9.110 956 H TRP 127 H TRP 127 16.208 -6.933 6.218 957 HA TRP 127 HA TRP 127 16.261 -5.188 8.615 958 1HB TRP 127 1HB TRP 127 16.271 -3.205 7.253 959 2HB TRP 127 2HB TRP 127 17.711 -4.125 6.953 960 HD1 TRP 127 HD1 TRP 127 17.310 -5.867 4.601 961 HE1 TRP 127 HE1 TRP 127 16.198 -5.255 2.361 962 HE3 TRP 127 HE3 TRP 127 15.050 -1.473 5.963 963 HZ2 TRP 127 HZ2 TRP 127 14.475 -3.245 1.345 964 HZ3 TRP 127 HZ3 TRP 127 13.762 -0.167 4.287 965 HH2 TRP 127 HH2 TRP 127 13.466 -1.044 1.971 966 H ALA 128 H ALA 128 14.384 -3.626 8.351 967 HA ALA 128 HA ALA 128 11.984 -4.950 7.172 968 1HB ALA 128 1HB ALA 128 12.077 -5.662 9.496 969 2HB ALA 128 2HB ALA 128 12.181 -3.972 10.034 970 3HB ALA 128 3HB ALA 128 10.722 -4.554 9.215 971 HA PRO 129 HA PRO 129 11.999 -0.523 5.931 972 1HB PRO 129 1HB PRO 129 9.664 -1.099 4.283 973 2HB PRO 129 2HB PRO 129 11.299 -0.659 3.751 974 1HG PRO 129 1HG PRO 129 10.110 -3.215 3.462 975 2HG PRO 129 2HG PRO 129 11.848 -2.858 3.343 976 1HD PRO 129 1HD PRO 129 10.375 -4.073 5.581 977 2HD PRO 129 2HD PRO 129 12.096 -4.236 5.100 978 H SER 130 H SER 130 10.514 1.214 6.542 979 HA SER 130 HA SER 130 8.430 0.505 8.423 980 1HB SER 130 1HB SER 130 8.980 3.124 6.969 981 2HB SER 130 2HB SER 130 7.926 2.889 8.361 982 HG SER 130 HG SER 130 10.715 2.842 8.205 983 H MET 131 H MET 131 6.195 1.090 8.085 984 HA MET 131 HA MET 131 5.082 -0.154 5.785 985 1HB MET 131 1HB MET 131 4.002 1.527 8.079 986 2HB MET 131 2HB MET 131 2.984 1.266 6.670 987 1HG MET 131 1HG MET 131 4.046 -1.281 7.260 988 2HG MET 131 2HG MET 131 3.623 -0.584 8.825 989 1HE MET 131 1HE MET 131 2.556 -3.123 6.881 990 2HE MET 131 2HE MET 131 2.133 -3.015 8.608 991 3HE MET 131 3HE MET 131 0.860 -3.184 7.381 992 H ASP 132 H ASP 132 5.639 3.300 6.448 993 HA ASP 132 HA ASP 132 4.224 4.371 4.276 994 1HB ASP 132 1HB ASP 132 5.082 6.292 4.825 995 2HB ASP 132 2HB ASP 132 5.775 5.371 6.197 996 H VAL 133 H VAL 133 7.669 3.490 4.334 997 HA VAL 133 HA VAL 133 8.072 3.469 1.519 998 HB VAL 133 HB VAL 133 9.501 1.831 3.651 999 1HG1 VAL 133 1HG1 VAL 133 10.183 2.282 0.714 1000 2HG1 VAL 133 2HG1 VAL 133 11.318 1.639 1.939 1001 3HG1 VAL 133 3HG1 VAL 133 9.867 0.739 1.509 1002 1HG2 VAL 133 1HG2 VAL 133 10.179 4.470 2.273 1003 2HG2 VAL 133 2HG2 VAL 133 9.865 4.204 3.999 1004 3HG2 VAL 133 3HG2 VAL 133 11.321 3.542 3.258 1005 H ALA 134 H ALA 134 7.541 0.494 3.496 1006 HA ALA 134 HA ALA 134 7.530 -1.246 1.212 1007 1HB ALA 134 1HB ALA 134 7.804 -2.114 3.494 1008 2HB ALA 134 2HB ALA 134 6.454 -2.904 2.678 1009 3HB ALA 134 3HB ALA 134 6.137 -1.650 3.900 1010 H VAL 135 H VAL 135 4.643 0.143 2.924 1011 HA VAL 135 HA VAL 135 2.946 -1.153 0.973 1012 HB VAL 135 HB VAL 135 2.118 0.916 3.005 1013 1HG1 VAL 135 1HG1 VAL 135 0.668 -1.178 1.361 1014 2HG1 VAL 135 2HG1 VAL 135 -0.030 -0.400 2.791 1015 3HG1 VAL 135 3HG1 VAL 135 0.416 0.587 1.394 1016 1HG2 VAL 135 1HG2 VAL 135 2.269 -2.109 3.310 1017 2HG2 VAL 135 2HG2 VAL 135 3.217 -0.926 4.237 1018 3HG2 VAL 135 3HG2 VAL 135 1.471 -0.998 4.442 1019 H GLY 136 H GLY 136 4.595 1.981 1.210 1020 1HA GLY 136 1HA GLY 136 4.688 3.758 -0.173 1021 2HA GLY 136 2HA GLY 136 3.063 3.459 -0.705 1022 H GLU 137 H GLU 137 5.924 1.255 -0.945 1023 HA GLU 137 HA GLU 137 6.419 1.814 -3.691 1024 1HB GLU 137 1HB GLU 137 7.297 -0.538 -1.974 1025 2HB GLU 137 2HB GLU 137 7.886 -0.144 -3.586 1026 1HG GLU 137 1HG GLU 137 8.219 2.287 -2.120 1027 2HG GLU 137 2HG GLU 137 8.522 1.037 -0.950 1028 H ILE 138 H ILE 138 4.825 -0.999 -2.032 1029 HA ILE 138 HA ILE 138 4.263 -2.277 -4.480 1030 HB ILE 138 HB ILE 138 4.111 -3.493 -2.441 1031 1HG1 ILE 138 1HG1 ILE 138 1.322 -3.490 -3.648 1032 2HG1 ILE 138 2HG1 ILE 138 2.725 -4.295 -4.357 1033 1HG2 ILE 138 1HG2 ILE 138 3.152 -1.640 -1.041 1034 2HG2 ILE 138 2HG2 ILE 138 1.554 -1.987 -1.705 1035 3HG2 ILE 138 3HG2 ILE 138 2.417 -3.199 -0.723 1036 1HD1 ILE 138 1HD1 ILE 138 1.508 -5.007 -1.641 1037 2HD1 ILE 138 2HD1 ILE 138 1.200 -5.853 -3.159 1038 3HD1 ILE 138 3HD1 ILE 138 2.810 -5.889 -2.463 1039 H LEU 139 H LEU 139 2.420 0.324 -2.837 1040 HA LEU 139 HA LEU 139 0.167 0.288 -4.616 1041 1HB LEU 139 1HB LEU 139 1.396 2.439 -2.923 1042 2HB LEU 139 2HB LEU 139 0.001 2.664 -3.847 1043 HG LEU 139 HG LEU 139 0.266 0.440 -1.729 1044 1HD1 LEU 139 1HD1 LEU 139 -1.079 3.164 -1.499 1045 2HD1 LEU 139 2HD1 LEU 139 -1.156 1.847 -0.295 1046 3HD1 LEU 139 3HD1 LEU 139 0.387 2.624 -0.656 1047 1HD2 LEU 139 1HD2 LEU 139 -2.213 1.472 -3.063 1048 2HD2 LEU 139 2HD2 LEU 139 -1.449 -0.113 -3.316 1049 3HD2 LEU 139 3HD2 LEU 139 -2.146 0.285 -1.752 1050 H ALA 140 H ALA 140 3.201 2.012 -4.710 1051 HA ALA 140 HA ALA 140 2.810 3.356 -7.185 1052 1HB ALA 140 1HB ALA 140 4.846 3.654 -5.799 1053 2HB ALA 140 2HB ALA 140 5.449 2.084 -6.393 1054 3HB ALA 140 3HB ALA 140 5.185 3.403 -7.519 1055 H GLU 141 H GLU 141 3.022 -0.141 -6.765 1056 HA GLU 141 HA GLU 141 3.379 -0.466 -9.691 1057 1HB GLU 141 1HB GLU 141 4.385 -1.852 -7.230 1058 2HB GLU 141 2HB GLU 141 4.314 -2.722 -8.769 1059 1HG GLU 141 1HG GLU 141 6.049 -1.622 -9.666 1060 2HG GLU 141 2HG GLU 141 5.442 -0.057 -9.183 1061 H VAL 142 H VAL 142 1.937 -2.351 -7.003 1062 HA VAL 142 HA VAL 142 0.896 -4.248 -8.780 1063 HB VAL 142 HB VAL 142 0.960 -3.815 -5.911 1064 1HG1 VAL 142 1HG1 VAL 142 -1.542 -3.815 -5.975 1065 2HG1 VAL 142 2HG1 VAL 142 -1.482 -5.382 -6.812 1066 3HG1 VAL 142 3HG1 VAL 142 -0.833 -5.221 -5.165 1067 1HG2 VAL 142 1HG2 VAL 142 2.234 -5.497 -7.189 1068 2HG2 VAL 142 2HG2 VAL 142 1.252 -6.215 -5.895 1069 3HG2 VAL 142 3HG2 VAL 142 0.726 -6.340 -7.588 No H/Q in entry = 1069 Start of MODEL 8 1 H SER 1 H SER 1 -6.974 11.583 11.917 2 HA SER 1 HA SER 1 -7.233 12.858 9.307 3 1HB SER 1 1HB SER 1 -9.359 12.598 10.614 4 2HB SER 1 2HB SER 1 -8.677 13.634 11.861 5 HG SER 1 HG SER 1 -10.112 14.550 10.219 6 H GLN 2 H GLN 2 -5.763 13.187 12.384 7 HA GLN 2 HA GLN 2 -4.835 15.941 11.846 8 1HB GLN 2 1HB GLN 2 -3.899 15.969 13.999 9 2HB GLN 2 2HB GLN 2 -5.489 15.231 14.165 10 1HG GLN 2 1HG GLN 2 -2.817 13.766 14.092 11 2HG GLN 2 2HG GLN 2 -3.748 14.121 15.523 12 1HE2 GLN 2 1HE2 GLN 2 -3.493 11.982 12.720 13 2HE2 GLN 2 2HE2 GLN 2 -4.597 10.785 13.355 14 H GLU 3 H GLU 3 -2.639 16.507 11.394 15 HA GLU 3 HA GLU 3 -0.901 14.275 10.455 16 1HB GLU 3 1HB GLU 3 -1.778 16.690 8.948 17 2HB GLU 3 2HB GLU 3 -0.563 15.508 8.401 18 1HG GLU 3 1HG GLU 3 -2.317 13.708 8.636 19 2HG GLU 3 2HG GLU 3 -3.499 14.955 8.976 20 H VAL 4 H VAL 4 -0.195 15.063 12.775 21 HA VAL 4 HA VAL 4 1.845 17.222 12.492 22 HB VAL 4 HB VAL 4 0.086 16.688 14.922 23 1HG1 VAL 4 1HG1 VAL 4 2.296 17.698 15.478 24 2HG1 VAL 4 2HG1 VAL 4 1.997 18.989 14.284 25 3HG1 VAL 4 3HG1 VAL 4 0.982 18.834 15.737 26 1HG2 VAL 4 1HG2 VAL 4 -0.140 18.867 12.815 27 2HG2 VAL 4 2HG2 VAL 4 -1.356 17.632 13.213 28 3HG2 VAL 4 3HG2 VAL 4 -0.969 18.894 14.382 29 H MET 5 H MET 5 2.898 14.997 11.779 30 HA MET 5 HA MET 5 4.378 13.497 12.069 31 1HB MET 5 1HB MET 5 5.098 15.677 13.678 32 2HB MET 5 2HB MET 5 5.615 14.208 14.550 33 1HG MET 5 1HG MET 5 6.464 13.457 12.204 34 2HG MET 5 2HG MET 5 6.319 15.142 11.762 35 1HE MET 5 1HE MET 5 7.355 17.043 13.607 36 2HE MET 5 2HE MET 5 9.131 16.958 13.589 37 3HE MET 5 3HE MET 5 8.228 16.896 12.066 38 H LYS 6 H LYS 6 1.924 12.881 12.674 39 HA LYS 6 HA LYS 6 1.903 11.019 14.958 40 1HB LYS 6 1HB LYS 6 -0.177 11.728 12.866 41 2HB LYS 6 2HB LYS 6 -0.406 10.503 14.101 42 1HG LYS 6 1HG LYS 6 0.629 12.914 15.372 43 2HG LYS 6 2HG LYS 6 -0.702 13.349 14.365 44 1HD LYS 6 1HD LYS 6 -2.161 11.740 15.570 45 2HD LYS 6 2HD LYS 6 -0.761 11.155 16.491 46 1HE LYS 6 1HE LYS 6 -0.429 13.305 17.541 47 2HE LYS 6 2HE LYS 6 -1.669 14.069 16.538 48 1HZ LYS 6 1HZ LYS 6 -2.169 11.919 18.494 49 2HZ LYS 6 2HZ LYS 6 -2.474 13.497 18.787 50 3HZ LYS 6 3HZ LYS 6 -3.323 12.679 17.649 51 H ASN 7 H ASN 7 0.972 8.660 14.215 52 HA ASN 7 HA ASN 7 2.974 7.396 12.687 53 1HB ASN 7 1HB ASN 7 1.535 5.520 12.781 54 2HB ASN 7 2HB ASN 7 1.404 6.213 14.351 55 1HD2 ASN 7 1HD2 ASN 7 -0.224 4.816 12.058 56 2HD2 ASN 7 2HD2 ASN 7 -1.823 5.566 12.103 57 H LEU 8 H LEU 8 2.768 6.451 10.649 58 HA LEU 8 HA LEU 8 2.588 6.539 8.471 59 1HB LEU 8 1HB LEU 8 0.906 5.081 9.031 60 2HB LEU 8 2HB LEU 8 -0.272 6.289 9.429 61 HG LEU 8 HG LEU 8 -0.565 4.987 7.292 62 1HD1 LEU 8 1HD1 LEU 8 -1.622 7.252 7.982 63 2HD1 LEU 8 2HD1 LEU 8 -0.493 7.952 6.811 64 3HD1 LEU 8 3HD1 LEU 8 -1.718 6.776 6.304 65 1HD2 LEU 8 1HD2 LEU 8 1.925 5.324 6.587 66 2HD2 LEU 8 2HD2 LEU 8 0.681 5.421 5.353 67 3HD2 LEU 8 3HD2 LEU 8 1.392 6.906 5.976 68 H SER 9 H SER 9 3.414 8.182 7.367 69 HA SER 9 HA SER 9 2.404 10.862 7.784 70 1HB SER 9 1HB SER 9 4.840 9.857 7.258 71 2HB SER 9 2HB SER 9 4.344 10.194 5.587 72 HG SER 9 HG SER 9 5.382 11.955 6.517 73 H LEU 10 H LEU 10 2.338 8.509 5.067 74 HA LEU 10 HA LEU 10 1.262 10.191 3.165 75 1HB LEU 10 1HB LEU 10 0.945 7.222 3.526 76 2HB LEU 10 2HB LEU 10 0.229 8.045 2.150 77 HG LEU 10 HG LEU 10 3.117 7.457 2.737 78 1HD1 LEU 10 1HD1 LEU 10 1.752 5.926 1.318 79 2HD1 LEU 10 2HD1 LEU 10 1.544 7.238 0.144 80 3HD1 LEU 10 3HD1 LEU 10 3.156 6.600 0.498 81 1HD2 LEU 10 1HD2 LEU 10 2.081 9.659 0.884 82 2HD2 LEU 10 2HD2 LEU 10 3.270 9.830 2.191 83 3HD2 LEU 10 3HD2 LEU 10 3.681 8.947 0.720 84 H ASN 11 H ASN 11 -0.720 10.976 2.508 85 HA ASN 11 HA ASN 11 -2.701 11.080 4.577 86 1HB ASN 11 1HB ASN 11 -2.017 12.928 3.004 87 2HB ASN 11 2HB ASN 11 -3.028 12.146 1.781 88 1HD2 ASN 11 1HD2 ASN 11 -3.597 14.699 2.494 89 2HD2 ASN 11 2HD2 ASN 11 -4.918 14.824 3.644 90 H PHE 12 H PHE 12 -2.742 8.487 4.215 91 HA PHE 12 HA PHE 12 -4.487 7.373 2.292 92 1HB PHE 12 1HB PHE 12 -3.507 6.524 5.024 93 2HB PHE 12 2HB PHE 12 -4.682 5.578 4.151 94 HD1 PHE 12 HD1 PHE 12 -4.207 4.736 1.828 95 HD2 PHE 12 HD2 PHE 12 -1.121 6.322 4.395 96 HE1 PHE 12 HE1 PHE 12 -2.478 3.618 0.474 97 HE2 PHE 12 HE2 PHE 12 0.583 5.132 3.084 98 HZ PHE 12 HZ PHE 12 -0.066 3.753 1.143 99 H GLY 13 H GLY 13 -5.206 8.857 5.495 100 1HA GLY 13 1HA GLY 13 -7.274 9.209 6.494 101 2HA GLY 13 2HA GLY 13 -7.690 7.622 5.850 102 H LYS 14 H LYS 14 -6.961 10.684 4.145 103 HA LYS 14 HA LYS 14 -9.683 11.145 3.264 104 1HB LYS 14 1HB LYS 14 -6.926 12.243 2.766 105 2HB LYS 14 2HB LYS 14 -8.109 12.563 1.516 106 1HG LYS 14 1HG LYS 14 -8.794 13.073 4.440 107 2HG LYS 14 2HG LYS 14 -7.826 14.247 3.549 108 1HD LYS 14 1HD LYS 14 -10.506 13.225 2.464 109 2HD LYS 14 2HD LYS 14 -10.340 14.648 3.525 110 1HE LYS 14 1HE LYS 14 -8.405 15.213 1.694 111 2HE LYS 14 2HE LYS 14 -9.461 14.218 0.681 112 1HZ LYS 14 1HZ LYS 14 -11.285 15.704 1.359 113 2HZ LYS 14 2HZ LYS 14 -10.184 16.692 2.101 114 3HZ LYS 14 3HZ LYS 14 -10.088 16.411 0.469 115 H ALA 15 H ALA 15 -6.732 9.878 1.534 116 HA ALA 15 HA ALA 15 -7.989 9.443 -0.910 117 1HB ALA 15 1HB ALA 15 -5.890 7.670 0.411 118 2HB ALA 15 2HB ALA 15 -6.200 7.840 -1.335 119 3HB ALA 15 3HB ALA 15 -5.543 9.201 -0.410 120 H LEU 16 H LEU 16 -7.963 7.248 1.931 121 HA LEU 16 HA LEU 16 -9.440 5.101 0.757 122 1HB LEU 16 1HB LEU 16 -8.901 6.030 3.592 123 2HB LEU 16 2HB LEU 16 -9.987 4.698 3.295 124 HG LEU 16 HG LEU 16 -7.180 4.720 2.140 125 1HD1 LEU 16 1HD1 LEU 16 -6.995 4.845 4.588 126 2HD1 LEU 16 2HD1 LEU 16 -8.061 3.401 4.725 127 3HD1 LEU 16 3HD1 LEU 16 -6.488 3.261 3.934 128 1HD2 LEU 16 1HD2 LEU 16 -9.083 2.446 2.856 129 2HD2 LEU 16 2HD2 LEU 16 -8.752 3.015 1.185 130 3HD2 LEU 16 3HD2 LEU 16 -7.489 2.249 2.165 131 H ASP 17 H ASP 17 -10.511 8.064 2.533 132 HA ASP 17 HA ASP 17 -13.247 7.311 2.569 133 1HB ASP 17 1HB ASP 17 -12.150 9.301 3.878 134 2HB ASP 17 2HB ASP 17 -12.248 10.179 2.366 135 H GLU 18 H GLU 18 -11.257 8.515 -0.063 136 HA GLU 18 HA GLU 18 -13.724 8.828 -1.692 137 1HB GLU 18 1HB GLU 18 -10.788 9.365 -2.298 138 2HB GLU 18 2HB GLU 18 -12.086 9.418 -3.464 139 1HG GLU 18 1HG GLU 18 -13.046 10.969 -1.273 140 2HG GLU 18 2HG GLU 18 -11.346 11.413 -1.414 141 H CYS 19 H CYS 19 -10.965 6.479 -1.292 142 HA CYS 19 HA CYS 19 -11.500 5.264 -3.710 143 1HB CYS 19 1HB CYS 19 -9.655 5.208 -1.555 144 2HB CYS 19 2HB CYS 19 -10.286 3.641 -1.633 145 H LYS 20 H LYS 20 -13.227 4.782 -0.571 146 HA LYS 20 HA LYS 20 -14.025 2.202 -1.257 147 1HB LYS 20 1HB LYS 20 -14.837 2.325 0.869 148 2HB LYS 20 2HB LYS 20 -13.723 3.667 1.057 149 1HG LYS 20 1HG LYS 20 -16.490 3.954 0.219 150 2HG LYS 20 2HG LYS 20 -15.997 3.945 1.923 151 1HD LYS 20 1HD LYS 20 -14.557 5.944 0.504 152 2HD LYS 20 2HD LYS 20 -16.262 6.071 0.019 153 1HE LYS 20 1HE LYS 20 -15.233 6.090 2.880 154 2HE LYS 20 2HE LYS 20 -15.769 7.515 1.974 155 1HZ LYS 20 1HZ LYS 20 -18.007 6.494 1.888 156 2HZ LYS 20 2HZ LYS 20 -17.492 5.227 2.787 157 3HZ LYS 20 3HZ LYS 20 -17.502 6.720 3.414 158 H LYS 21 H LYS 21 -14.851 5.581 -2.099 159 HA LYS 21 HA LYS 21 -17.586 5.084 -2.713 160 1HB LYS 21 1HB LYS 21 -15.804 7.203 -4.012 161 2HB LYS 21 2HB LYS 21 -17.560 7.179 -3.915 162 1HG LYS 21 1HG LYS 21 -17.438 7.376 -1.452 163 2HG LYS 21 2HG LYS 21 -15.652 7.397 -1.548 164 1HD LYS 21 1HD LYS 21 -15.642 9.433 -2.804 165 2HD LYS 21 2HD LYS 21 -17.424 9.469 -2.850 166 1HE LYS 21 1HE LYS 21 -16.159 9.140 -0.159 167 2HE LYS 21 2HE LYS 21 -15.903 10.726 -0.941 168 1HZ LYS 21 1HZ LYS 21 -18.546 9.497 -0.520 169 2HZ LYS 21 2HZ LYS 21 -17.867 10.668 0.450 170 3HZ LYS 21 3HZ LYS 21 -18.208 10.981 -1.123 171 H GLU 22 H GLU 22 -14.500 5.031 -4.563 172 HA GLU 22 HA GLU 22 -15.483 4.867 -7.129 173 1HB GLU 22 1HB GLU 22 -13.002 3.455 -6.065 174 2HB GLU 22 2HB GLU 22 -13.406 3.749 -7.754 175 1HG GLU 22 1HG GLU 22 -13.653 6.287 -6.900 176 2HG GLU 22 2HG GLU 22 -12.544 5.725 -5.651 177 H MET 23 H MET 23 -14.967 2.164 -4.865 178 HA MET 23 HA MET 23 -16.271 0.298 -6.758 179 1HB MET 23 1HB MET 23 -15.048 -0.871 -4.402 180 2HB MET 23 2HB MET 23 -14.885 -1.249 -6.064 181 1HG MET 23 1HG MET 23 -13.260 0.801 -6.166 182 2HG MET 23 2HG MET 23 -13.300 0.678 -4.395 183 1HE MET 23 1HE MET 23 -13.192 -1.450 -7.510 184 2HE MET 23 2HE MET 23 -11.490 -0.945 -7.674 185 3HE MET 23 3HE MET 23 -11.899 -2.622 -7.235 186 H THR 24 H THR 24 -17.423 2.189 -4.358 187 HA THR 24 HA THR 24 -18.720 2.158 -2.606 188 HB THR 24 HB THR 24 -20.338 1.841 -4.420 189 HG1 THR 24 HG1 THR 24 -21.081 0.639 -1.992 190 1HG2 THR 24 1HG2 THR 24 -20.113 -1.065 -3.666 191 2HG2 THR 24 2HG2 THR 24 -21.608 -0.385 -4.369 192 3HG2 THR 24 3HG2 THR 24 -20.060 -0.314 -5.252 193 H LEU 25 H LEU 25 -16.541 0.694 -2.254 194 HA LEU 25 HA LEU 25 -16.874 -1.735 -0.684 195 1HB LEU 25 1HB LEU 25 -14.782 0.348 -0.004 196 2HB LEU 25 2HB LEU 25 -14.720 -1.360 0.285 197 HG LEU 25 HG LEU 25 -14.548 -0.098 -2.484 198 1HD1 LEU 25 1HD1 LEU 25 -12.612 0.563 -1.107 199 2HD1 LEU 25 2HD1 LEU 25 -12.334 -1.174 -0.703 200 3HD1 LEU 25 3HD1 LEU 25 -12.157 -0.600 -2.334 201 1HD2 LEU 25 1HD2 LEU 25 -15.382 -2.458 -2.432 202 2HD2 LEU 25 2HD2 LEU 25 -13.840 -2.286 -3.240 203 3HD2 LEU 25 3HD2 LEU 25 -13.933 -2.949 -1.581 204 H THR 26 H THR 26 -16.222 -1.573 1.837 205 HA THR 26 HA THR 26 -18.651 -0.593 3.002 206 HB THR 26 HB THR 26 -17.631 -1.776 5.015 207 HG1 THR 26 HG1 THR 26 -15.772 -2.979 4.613 208 1HG2 THR 26 1HG2 THR 26 -17.568 -3.334 2.354 209 2HG2 THR 26 2HG2 THR 26 -17.682 -4.024 3.976 210 3HG2 THR 26 3HG2 THR 26 -18.997 -3.014 3.346 211 H ASP 27 H ASP 27 -18.678 0.697 5.117 212 HA ASP 27 HA ASP 27 -17.078 3.079 4.737 213 1HB ASP 27 1HB ASP 27 -19.388 3.043 5.902 214 2HB ASP 27 2HB ASP 27 -18.541 2.396 7.345 215 H ALA 28 H ALA 28 -16.886 0.300 6.822 216 HA ALA 28 HA ALA 28 -15.077 1.220 8.757 217 1HB ALA 28 1HB ALA 28 -16.568 -0.763 8.944 218 2HB ALA 28 2HB ALA 28 -14.896 -1.121 9.381 219 3HB ALA 28 3HB ALA 28 -15.529 -1.655 7.810 220 H ILE 29 H ILE 29 -14.326 0.643 5.476 221 HA ILE 29 HA ILE 29 -11.755 -0.525 5.562 222 HB ILE 29 HB ILE 29 -11.329 0.409 3.442 223 1HG1 ILE 29 1HG1 ILE 29 -13.116 1.707 2.265 224 2HG1 ILE 29 2HG1 ILE 29 -13.891 2.029 3.827 225 1HG2 ILE 29 1HG2 ILE 29 -12.826 -1.599 3.739 226 2HG2 ILE 29 2HG2 ILE 29 -14.205 -0.494 3.555 227 3HG2 ILE 29 3HG2 ILE 29 -13.065 -0.702 2.228 228 1HD1 ILE 29 1HD1 ILE 29 -11.031 2.632 3.772 229 2HD1 ILE 29 2HD1 ILE 29 -12.013 3.634 2.673 230 3HD1 ILE 29 3HD1 ILE 29 -12.394 3.597 4.391 231 H ASN 30 H ASN 30 -12.631 2.688 6.614 232 HA ASN 30 HA ASN 30 -9.913 3.683 6.339 233 1HB ASN 30 1HB ASN 30 -12.335 4.910 6.653 234 2HB ASN 30 2HB ASN 30 -11.732 4.957 8.310 235 1HD2 ASN 30 1HD2 ASN 30 -11.972 6.884 5.686 236 2HD2 ASN 30 2HD2 ASN 30 -10.392 7.638 5.601 237 H GLU 31 H GLU 31 -11.484 1.765 8.599 238 HA GLU 31 HA GLU 31 -9.372 1.990 10.698 239 1HB GLU 31 1HB GLU 31 -12.045 0.521 10.658 240 2HB GLU 31 2HB GLU 31 -10.974 0.670 12.049 241 1HG GLU 31 1HG GLU 31 -11.406 3.016 12.265 242 2HG GLU 31 2HG GLU 31 -12.135 3.141 10.669 243 H ASP 32 H ASP 32 -11.142 -0.371 8.698 244 HA ASP 32 HA ASP 32 -9.808 -2.696 9.488 245 1HB ASP 32 1HB ASP 32 -12.041 -2.462 8.326 246 2HB ASP 32 2HB ASP 32 -11.168 -2.183 6.819 247 H PHE 33 H PHE 33 -9.117 -0.532 6.728 248 HA PHE 33 HA PHE 33 -7.109 -2.076 5.451 249 1HB PHE 33 1HB PHE 33 -8.238 -0.061 4.551 250 2HB PHE 33 2HB PHE 33 -7.430 0.943 5.744 251 HD1 PHE 33 HD1 PHE 33 -7.012 -0.927 2.597 252 HD2 PHE 33 HD2 PHE 33 -5.060 1.548 5.546 253 HE1 PHE 33 HE1 PHE 33 -5.180 -0.445 1.000 254 HE2 PHE 33 HE2 PHE 33 -3.218 1.993 3.925 255 HZ PHE 33 HZ PHE 33 -3.233 0.967 1.715 256 H TYR 34 H TYR 34 -7.011 0.153 8.156 257 HA TYR 34 HA TYR 34 -4.086 0.175 8.412 258 1HB TYR 34 1HB TYR 34 -6.318 1.254 10.154 259 2HB TYR 34 2HB TYR 34 -4.636 1.346 10.553 260 HD1 TYR 34 HD1 TYR 34 -3.378 3.317 9.829 261 HD2 TYR 34 HD2 TYR 34 -7.050 2.232 7.822 262 HE1 TYR 34 HE1 TYR 34 -3.503 5.562 8.820 263 HE2 TYR 34 HE2 TYR 34 -7.129 4.411 6.726 264 HH TYR 34 HH TYR 34 -4.946 7.085 7.769 265 H ASN 35 H ASN 35 -6.835 -1.439 9.904 266 HA ASN 35 HA ASN 35 -5.373 -2.889 11.959 267 1HB ASN 35 1HB ASN 35 -7.934 -3.765 10.582 268 2HB ASN 35 2HB ASN 35 -7.223 -4.498 11.999 269 1HD2 ASN 35 1HD2 ASN 35 -9.899 -3.152 11.809 270 2HD2 ASN 35 2HD2 ASN 35 -9.865 -1.989 13.112 271 H PHE 36 H PHE 36 -5.849 -3.575 8.473 272 HA PHE 36 HA PHE 36 -5.354 -6.226 8.337 273 1HB PHE 36 1HB PHE 36 -5.800 -5.068 6.340 274 2HB PHE 36 2HB PHE 36 -4.412 -4.010 6.559 275 HD1 PHE 36 HD1 PHE 36 -4.453 -7.807 6.672 276 HD2 PHE 36 HD2 PHE 36 -3.121 -4.224 4.663 277 HE1 PHE 36 HE1 PHE 36 -2.966 -9.155 5.247 278 HE2 PHE 36 HE2 PHE 36 -1.610 -5.585 3.263 279 HZ PHE 36 HZ PHE 36 -1.510 -8.046 3.557 280 H TRP 37 H TRP 37 -2.773 -3.739 8.683 281 HA TRP 37 HA TRP 37 -0.633 -5.623 8.495 282 1HB TRP 37 1HB TRP 37 -0.328 -3.004 9.920 283 2HB TRP 37 2HB TRP 37 0.752 -3.815 8.816 284 HD1 TRP 37 HD1 TRP 37 -0.835 -3.954 6.171 285 HE1 TRP 37 HE1 TRP 37 -1.683 -1.872 4.950 286 HE3 TRP 37 HE3 TRP 37 -0.858 -0.699 10.096 287 HZ2 TRP 37 HZ2 TRP 37 -2.275 0.866 5.590 288 HZ3 TRP 37 HZ3 TRP 37 -1.489 1.687 9.763 289 HH2 TRP 37 HH2 TRP 37 -2.198 2.481 7.556 290 H LYS 38 H LYS 38 -2.745 -5.085 11.190 291 HA LYS 38 HA LYS 38 -0.913 -4.908 13.348 292 1HB LYS 38 1HB LYS 38 -3.793 -5.927 13.126 293 2HB LYS 38 2HB LYS 38 -2.938 -5.889 14.642 294 1HG LYS 38 1HG LYS 38 -2.551 -3.468 14.407 295 2HG LYS 38 2HG LYS 38 -3.394 -3.450 12.860 296 1HD LYS 38 1HD LYS 38 -5.474 -4.108 13.872 297 2HD LYS 38 2HD LYS 38 -4.689 -4.501 15.389 298 1HE LYS 38 1HE LYS 38 -4.117 -2.154 15.809 299 2HE LYS 38 2HE LYS 38 -4.890 -1.684 14.291 300 1HZ LYS 38 1HZ LYS 38 -6.323 -2.979 16.546 301 2HZ LYS 38 2HZ LYS 38 -6.342 -1.381 16.255 302 3HZ LYS 38 3HZ LYS 38 -6.984 -2.371 15.143 303 H GLU 39 H GLU 39 0.531 -6.404 14.186 304 HA GLU 39 HA GLU 39 0.836 -8.950 13.006 305 1HB GLU 39 1HB GLU 39 1.773 -7.872 15.709 306 2HB GLU 39 2HB GLU 39 2.099 -9.501 15.149 307 1HG GLU 39 1HG GLU 39 4.014 -8.387 14.551 308 2HG GLU 39 2HG GLU 39 3.096 -8.565 13.056 309 H GLY 40 H GLY 40 0.339 -10.999 13.734 310 1HA GLY 40 1HA GLY 40 -1.389 -11.604 15.933 311 2HA GLY 40 2HA GLY 40 -0.871 -12.692 14.648 312 H TYR 41 H TYR 41 -2.584 -9.732 13.744 313 HA TYR 41 HA TYR 41 -5.246 -10.730 13.715 314 1HB TYR 41 1HB TYR 41 -3.783 -8.314 13.267 315 2HB TYR 41 2HB TYR 41 -4.598 -8.633 11.780 316 HD1 TYR 41 HD1 TYR 41 -4.762 -7.283 15.049 317 HD2 TYR 41 HD2 TYR 41 -7.266 -8.970 11.979 318 HE1 TYR 41 HE1 TYR 41 -6.565 -5.856 15.781 319 HE2 TYR 41 HE2 TYR 41 -9.117 -7.537 12.679 320 HH TYR 41 HH TYR 41 -9.031 -5.558 15.610 321 H GLU 42 H GLU 42 -6.355 -11.561 11.909 322 HA GLU 42 HA GLU 42 -4.873 -11.875 9.394 323 1HB GLU 42 1HB GLU 42 -5.144 -14.019 10.962 324 2HB GLU 42 2HB GLU 42 -6.777 -14.063 10.241 325 1HG GLU 42 1HG GLU 42 -5.674 -13.712 8.010 326 2HG GLU 42 2HG GLU 42 -4.112 -13.853 8.802 327 H ILE 43 H ILE 43 -5.802 -10.644 7.931 328 HA ILE 43 HA ILE 43 -8.722 -10.299 7.755 329 HB ILE 43 HB ILE 43 -6.506 -8.489 6.814 330 1HG1 ILE 43 1HG1 ILE 43 -7.604 -7.049 8.600 331 2HG1 ILE 43 2HG1 ILE 43 -8.266 -8.469 9.306 332 1HG2 ILE 43 1HG2 ILE 43 -8.608 -8.369 5.496 333 2HG2 ILE 43 2HG2 ILE 43 -9.540 -8.126 6.990 334 3HG2 ILE 43 3HG2 ILE 43 -8.365 -6.908 6.448 335 1HD1 ILE 43 1HD1 ILE 43 -5.279 -8.248 8.895 336 2HD1 ILE 43 2HD1 ILE 43 -6.097 -7.376 10.230 337 3HD1 ILE 43 3HD1 ILE 43 -6.169 -9.147 10.113 338 H LYS 44 H LYS 44 -9.304 -11.878 6.304 339 HA LYS 44 HA LYS 44 -7.820 -12.198 3.726 340 1HB LYS 44 1HB LYS 44 -9.012 -14.202 5.633 341 2HB LYS 44 2HB LYS 44 -8.834 -14.609 3.937 342 1HG LYS 44 1HG LYS 44 -6.544 -13.485 5.586 343 2HG LYS 44 2HG LYS 44 -6.911 -15.197 5.563 344 1HD LYS 44 1HD LYS 44 -6.304 -13.659 2.992 345 2HD LYS 44 2HD LYS 44 -5.082 -14.419 3.995 346 1HE LYS 44 1HE LYS 44 -5.447 -16.140 2.572 347 2HE LYS 44 2HE LYS 44 -6.607 -16.546 3.848 348 1HZ LYS 44 1HZ LYS 44 -8.341 -15.510 2.388 349 2HZ LYS 44 2HZ LYS 44 -7.170 -15.347 1.204 350 3HZ LYS 44 3HZ LYS 44 -7.641 -16.798 1.726 351 H ASN 45 H ASN 45 -9.988 -10.347 4.392 352 HA ASN 45 HA ASN 45 -12.365 -11.404 3.008 353 1HB ASN 45 1HB ASN 45 -12.617 -9.795 4.913 354 2HB ASN 45 2HB ASN 45 -11.875 -8.526 3.900 355 1HD2 ASN 45 1HD2 ASN 45 -13.779 -7.175 3.654 356 2HD2 ASN 45 2HD2 ASN 45 -15.074 -7.780 2.589 357 H ARG 46 H ARG 46 -13.105 -9.264 1.335 358 HA ARG 46 HA ARG 46 -11.121 -9.506 -0.863 359 1HB ARG 46 1HB ARG 46 -13.925 -8.451 -1.121 360 2HB ARG 46 2HB ARG 46 -12.919 -9.193 -2.317 361 1HG ARG 46 1HG ARG 46 -13.345 -11.390 -1.492 362 2HG ARG 46 2HG ARG 46 -13.934 -10.853 0.067 363 1HD ARG 46 1HD ARG 46 -15.870 -9.965 -0.669 364 2HD ARG 46 2HD ARG 46 -15.368 -9.908 -2.389 365 HE ARG 46 HE ARG 46 -15.289 -12.406 -2.321 366 1HH1 ARG 46 1HH1 ARG 46 -17.073 -13.897 -2.648 367 2HH1 ARG 46 2HH1 ARG 46 -18.606 -13.599 -1.887 368 1HH2 ARG 46 1HH2 ARG 46 -17.579 -10.594 -0.319 369 2HH2 ARG 46 2HH2 ARG 46 -18.947 -11.544 -0.795 370 H GLU 47 H GLU 47 -13.414 -7.152 0.604 371 HA GLU 47 HA GLU 47 -12.740 -4.860 -0.572 372 1HB GLU 47 1HB GLU 47 -13.605 -5.206 2.309 373 2HB GLU 47 2HB GLU 47 -13.513 -3.671 1.466 374 1HG GLU 47 1HG GLU 47 -15.695 -4.135 1.102 375 2HG GLU 47 2HG GLU 47 -15.014 -4.788 -0.369 376 H THR 48 H THR 48 -10.646 -6.332 1.867 377 HA THR 48 HA THR 48 -8.829 -4.262 2.417 378 HB THR 48 HB THR 48 -8.271 -7.225 1.998 379 HG1 THR 48 HG1 THR 48 -9.394 -5.913 4.215 380 1HG2 THR 48 1HG2 THR 48 -6.284 -5.831 2.545 381 2HG2 THR 48 2HG2 THR 48 -7.106 -5.223 3.993 382 3HG2 THR 48 3HG2 THR 48 -6.689 -6.947 3.861 383 H GLY 49 H GLY 49 -8.622 -6.785 -0.158 384 1HA GLY 49 1HA GLY 49 -7.316 -6.893 -2.050 385 2HA GLY 49 2HA GLY 49 -6.266 -5.639 -1.375 386 H CYS 50 H CYS 50 -9.824 -5.515 -2.137 387 HA CYS 50 HA CYS 50 -9.789 -3.834 -4.305 388 1HB CYS 50 1HB CYS 50 -11.562 -3.603 -1.872 389 2HB CYS 50 2HB CYS 50 -11.876 -2.927 -3.431 390 H ALA 51 H ALA 51 -9.640 -2.706 -0.808 391 HA ALA 51 HA ALA 51 -9.481 0.041 -1.565 392 1HB ALA 51 1HB ALA 51 -8.570 0.419 0.791 393 2HB ALA 51 2HB ALA 51 -8.547 -1.342 0.997 394 3HB ALA 51 3HB ALA 51 -10.091 -0.485 0.730 395 H ILE 52 H ILE 52 -6.896 -2.390 -0.934 396 HA ILE 52 HA ILE 52 -4.665 -0.683 -1.322 397 HB ILE 52 HB ILE 52 -5.085 -3.653 -1.803 398 1HG1 ILE 52 1HG1 ILE 52 -3.708 -2.136 0.463 399 2HG1 ILE 52 2HG1 ILE 52 -5.354 -2.752 0.558 400 1HG2 ILE 52 1HG2 ILE 52 -3.141 -2.834 -3.131 401 2HG2 ILE 52 2HG2 ILE 52 -2.437 -2.141 -1.672 402 3HG2 ILE 52 3HG2 ILE 52 -2.641 -3.897 -1.831 403 1HD1 ILE 52 1HD1 ILE 52 -4.466 -5.064 0.160 404 2HD1 ILE 52 2HD1 ILE 52 -2.823 -4.393 0.356 405 3HD1 ILE 52 3HD1 ILE 52 -3.982 -4.298 1.691 406 H MET 53 H MET 53 -6.334 -2.764 -3.774 407 HA MET 53 HA MET 53 -4.840 -1.973 -6.000 408 1HB MET 53 1HB MET 53 -6.349 -3.954 -5.810 409 2HB MET 53 2HB MET 53 -7.724 -2.911 -5.740 410 1HG MET 53 1HG MET 53 -5.974 -2.485 -8.110 411 2HG MET 53 2HG MET 53 -6.598 -4.119 -7.950 412 1HE MET 53 1HE MET 53 -9.064 -4.673 -7.545 413 2HE MET 53 2HE MET 53 -9.784 -3.322 -6.591 414 3HE MET 53 3HE MET 53 -10.413 -3.757 -8.187 415 H CYS 54 H CYS 54 -7.876 -0.562 -4.703 416 HA CYS 54 HA CYS 54 -8.232 1.429 -6.743 417 1HB CYS 54 1HB CYS 54 -9.998 0.745 -5.227 418 2HB CYS 54 2HB CYS 54 -9.071 1.268 -3.820 419 H LEU 55 H LEU 55 -6.537 1.410 -3.569 420 HA LEU 55 HA LEU 55 -5.681 4.112 -3.770 421 1HB LEU 55 1HB LEU 55 -4.797 1.738 -2.114 422 2HB LEU 55 2HB LEU 55 -3.892 3.229 -2.052 423 HG LEU 55 HG LEU 55 -6.887 3.132 -1.498 424 1HD1 LEU 55 1HD1 LEU 55 -4.456 2.780 0.274 425 2HD1 LEU 55 2HD1 LEU 55 -5.973 3.403 0.915 426 3HD1 LEU 55 3HD1 LEU 55 -5.923 1.802 0.164 427 1HD2 LEU 55 1HD2 LEU 55 -4.736 5.248 -1.137 428 2HD2 LEU 55 2HD2 LEU 55 -6.183 5.333 -2.154 429 3HD2 LEU 55 3HD2 LEU 55 -6.358 5.345 -0.395 430 H SER 56 H SER 56 -4.368 1.263 -5.351 431 HA SER 56 HA SER 56 -1.741 2.218 -5.608 432 1HB SER 56 1HB SER 56 -1.360 0.407 -6.848 433 2HB SER 56 2HB SER 56 -2.884 -0.144 -6.227 434 HG SER 56 HG SER 56 -2.175 -0.095 -8.585 435 H THR 57 H THR 57 -4.629 3.531 -6.944 436 HA THR 57 HA THR 57 -3.029 5.118 -8.890 437 HB THR 57 HB THR 57 -4.416 3.757 -10.152 438 HG1 THR 57 HG1 THR 57 -5.316 6.362 -9.930 439 1HG2 THR 57 1HG2 THR 57 -6.814 4.593 -8.483 440 2HG2 THR 57 2HG2 THR 57 -6.873 3.624 -9.976 441 3HG2 THR 57 3HG2 THR 57 -6.074 2.975 -8.556 442 H LYS 58 H LYS 58 -3.564 5.524 -5.975 443 HA LYS 58 HA LYS 58 -4.838 8.250 -6.100 444 1HB LYS 58 1HB LYS 58 -4.888 6.088 -3.984 445 2HB LYS 58 2HB LYS 58 -5.252 7.741 -3.561 446 1HG LYS 58 1HG LYS 58 -6.732 6.611 -5.923 447 2HG LYS 58 2HG LYS 58 -7.211 6.069 -4.301 448 1HD LYS 58 1HD LYS 58 -7.601 8.281 -3.551 449 2HD LYS 58 2HD LYS 58 -7.106 8.930 -5.122 450 1HE LYS 58 1HE LYS 58 -9.319 6.862 -4.785 451 2HE LYS 58 2HE LYS 58 -9.589 8.581 -4.698 452 1HZ LYS 58 1HZ LYS 58 -8.221 8.241 -7.059 453 2HZ LYS 58 2HZ LYS 58 -9.225 6.928 -6.984 454 3HZ LYS 58 3HZ LYS 58 -9.874 8.383 -6.906 455 H LEU 59 H LEU 59 -1.883 7.254 -6.352 456 HA LEU 59 HA LEU 59 -0.471 7.961 -4.060 457 1HB LEU 59 1HB LEU 59 0.552 8.543 -6.836 458 2HB LEU 59 2HB LEU 59 1.464 8.038 -5.416 459 HG LEU 59 HG LEU 59 -0.470 6.327 -7.044 460 1HD1 LEU 59 1HD1 LEU 59 1.609 6.911 -8.241 461 2HD1 LEU 59 2HD1 LEU 59 2.555 6.165 -6.941 462 3HD1 LEU 59 3HD1 LEU 59 1.447 5.180 -7.926 463 1HD2 LEU 59 1HD2 LEU 59 -0.369 5.563 -4.670 464 2HD2 LEU 59 2HD2 LEU 59 0.322 4.400 -5.801 465 3HD2 LEU 59 3HD2 LEU 59 1.395 5.410 -4.811 466 H ASN 60 H ASN 60 -1.842 10.154 -6.502 467 HA ASN 60 HA ASN 60 -0.467 12.541 -5.747 468 1HB ASN 60 1HB ASN 60 -2.363 13.701 -6.883 469 2HB ASN 60 2HB ASN 60 -1.655 12.453 -7.881 470 1HD2 ASN 60 1HD2 ASN 60 -2.866 10.475 -8.244 471 2HD2 ASN 60 2HD2 ASN 60 -4.594 10.372 -7.861 472 H MET 61 H MET 61 -3.185 10.869 -4.300 473 HA MET 61 HA MET 61 -4.135 13.144 -2.706 474 1HB MET 61 1HB MET 61 -4.664 10.133 -2.540 475 2HB MET 61 2HB MET 61 -5.473 11.333 -1.575 476 1HG MET 61 1HG MET 61 -5.561 11.306 -4.603 477 2HG MET 61 2HG MET 61 -6.728 10.487 -3.578 478 1HE MET 61 1HE MET 61 -8.617 11.490 -2.203 479 2HE MET 61 2HE MET 61 -7.459 12.320 -1.150 480 3HE MET 61 3HE MET 61 -8.809 13.225 -1.868 481 H LEU 62 H LEU 62 -2.087 10.214 -2.385 482 HA LEU 62 HA LEU 62 -1.953 10.270 0.466 483 1HB LEU 62 1HB LEU 62 -0.347 8.793 -1.636 484 2HB LEU 62 2HB LEU 62 -0.373 8.383 0.066 485 HG LEU 62 HG LEU 62 -2.764 8.328 -1.777 486 1HD1 LEU 62 1HD1 LEU 62 -1.046 6.734 -2.501 487 2HD1 LEU 62 2HD1 LEU 62 -1.023 6.008 -0.885 488 3HD1 LEU 62 3HD1 LEU 62 -2.488 5.907 -1.899 489 1HD2 LEU 62 1HD2 LEU 62 -2.263 7.256 1.010 490 2HD2 LEU 62 2HD2 LEU 62 -3.401 8.540 0.538 491 3HD2 LEU 62 3HD2 LEU 62 -3.695 6.866 0.031 492 H ASP 63 H ASP 63 0.236 11.046 -2.178 493 HA ASP 63 HA ASP 63 1.950 12.520 -0.209 494 1HB ASP 63 1HB ASP 63 3.329 10.648 -1.184 495 2HB ASP 63 2HB ASP 63 3.205 11.439 -2.743 496 HA PRO 64 HA PRO 64 -0.158 15.484 -2.759 497 1HB PRO 64 1HB PRO 64 0.679 17.809 -1.523 498 2HB PRO 64 2HB PRO 64 -0.599 16.720 -0.877 499 1HG PRO 64 1HG PRO 64 2.316 16.863 -0.101 500 2HG PRO 64 2HG PRO 64 0.884 16.742 0.969 501 1HD PRO 64 1HD PRO 64 2.374 14.573 0.289 502 2HD PRO 64 2HD PRO 64 0.599 14.452 0.476 503 H GLU 65 H GLU 65 3.322 15.687 -2.106 504 HA GLU 65 HA GLU 65 3.920 17.636 -4.146 505 1HB GLU 65 1HB GLU 65 5.636 15.687 -2.589 506 2HB GLU 65 2HB GLU 65 6.253 17.002 -3.576 507 1HG GLU 65 1HG GLU 65 5.245 18.619 -2.018 508 2HG GLU 65 2HG GLU 65 4.555 17.293 -1.064 509 H GLY 66 H GLY 66 3.183 14.304 -4.232 510 1HA GLY 66 1HA GLY 66 3.571 14.399 -7.075 511 2HA GLY 66 2HA GLY 66 2.830 13.099 -6.161 512 H ASN 67 H ASN 67 5.781 13.396 -4.710 513 HA ASN 67 HA ASN 67 7.751 12.549 -6.460 514 1HB ASN 67 1HB ASN 67 8.546 11.193 -4.209 515 2HB ASN 67 2HB ASN 67 8.765 12.933 -4.459 516 1HD2 ASN 67 1HD2 ASN 67 7.396 14.319 -3.437 517 2HD2 ASN 67 2HD2 ASN 67 6.180 13.812 -2.224 518 H LEU 68 H LEU 68 5.676 10.579 -4.389 519 HA LEU 68 HA LEU 68 6.521 8.033 -5.321 520 1HB LEU 68 1HB LEU 68 5.316 8.421 -3.173 521 2HB LEU 68 2HB LEU 68 3.863 8.841 -4.040 522 HG LEU 68 HG LEU 68 3.829 6.517 -5.062 523 1HD1 LEU 68 1HD1 LEU 68 6.285 6.141 -3.316 524 2HD1 LEU 68 2HD1 LEU 68 5.349 4.798 -3.984 525 3HD1 LEU 68 3HD1 LEU 68 6.134 5.921 -5.088 526 1HD2 LEU 68 1HD2 LEU 68 3.892 6.657 -2.032 527 2HD2 LEU 68 2HD2 LEU 68 2.482 6.681 -3.134 528 3HD2 LEU 68 3HD2 LEU 68 3.400 5.211 -2.942 529 H HIS 69 H HIS 69 6.582 7.868 -7.567 530 HA HIS 69 HA HIS 69 4.179 8.473 -9.190 531 1HB HIS 69 1HB HIS 69 6.944 7.456 -9.831 532 2HB HIS 69 2HB HIS 69 5.785 7.692 -11.066 533 HD1 HIS 69 HD1 HIS 69 8.470 9.334 -11.308 534 HD2 HIS 69 HD2 HIS 69 4.998 10.691 -9.310 535 HE1 HIS 69 HE1 HIS 69 8.636 11.829 -11.208 536 H HIS 70 H HIS 70 3.640 6.860 -10.730 537 HA HIS 70 HA HIS 70 3.001 4.221 -9.681 538 1HB HIS 70 1HB HIS 70 1.475 5.395 -11.138 539 2HB HIS 70 2HB HIS 70 2.704 5.577 -12.376 540 HD1 HIS 70 HD1 HIS 70 0.323 4.503 -13.585 541 HD2 HIS 70 HD2 HIS 70 2.907 2.018 -11.403 542 HE1 HIS 70 HE1 HIS 70 -0.010 2.148 -14.496 543 H GLY 71 H GLY 71 4.434 2.660 -9.614 544 1HA GLY 71 1HA GLY 71 6.218 1.906 -11.660 545 2HA GLY 71 2HA GLY 71 6.124 1.236 -10.034 546 H ASN 72 H ASN 72 6.780 4.467 -9.456 547 HA ASN 72 HA ASN 72 9.690 3.912 -9.403 548 1HB ASN 72 1HB ASN 72 9.004 5.242 -11.538 549 2HB ASN 72 2HB ASN 72 8.765 6.590 -10.471 550 1HD2 ASN 72 1HD2 ASN 72 10.688 7.073 -12.249 551 2HD2 ASN 72 2HD2 ASN 72 12.278 6.910 -11.556 552 H ALA 73 H ALA 73 9.402 3.637 -7.139 553 HA ALA 73 HA ALA 73 8.512 5.990 -5.580 554 1HB ALA 73 1HB ALA 73 7.216 3.896 -5.395 555 2HB ALA 73 2HB ALA 73 8.007 4.353 -3.858 556 3HB ALA 73 3HB ALA 73 8.649 3.050 -4.861 557 H MET 74 H MET 74 11.503 5.169 -6.682 558 HA MET 74 HA MET 74 12.798 4.215 -4.310 559 1HB MET 74 1HB MET 74 13.753 5.198 -7.027 560 2HB MET 74 2HB MET 74 14.875 4.801 -5.718 561 1HG MET 74 1HG MET 74 13.784 2.542 -5.558 562 2HG MET 74 2HG MET 74 12.898 2.907 -7.041 563 1HE MET 74 1HE MET 74 14.964 0.487 -6.247 564 2HE MET 74 2HE MET 74 14.121 0.461 -7.815 565 3HE MET 74 3HE MET 74 15.880 0.260 -7.751 566 H GLU 75 H GLU 75 12.177 7.355 -5.692 567 HA GLU 75 HA GLU 75 14.142 8.805 -4.036 568 1HB GLU 75 1HB GLU 75 11.646 9.630 -5.598 569 2HB GLU 75 2HB GLU 75 12.559 10.764 -4.654 570 1HG GLU 75 1HG GLU 75 14.185 9.200 -6.607 571 2HG GLU 75 2HG GLU 75 12.908 10.192 -7.312 572 H PHE 76 H PHE 76 10.605 8.135 -3.850 573 HA PHE 76 HA PHE 76 10.132 9.353 -1.335 574 1HB PHE 76 1HB PHE 76 8.338 8.863 -2.838 575 2HB PHE 76 2HB PHE 76 8.828 7.204 -3.054 576 HD1 PHE 76 HD1 PHE 76 8.217 5.460 -1.530 577 HD2 PHE 76 HD2 PHE 76 7.195 9.556 -0.804 578 HE1 PHE 76 HE1 PHE 76 6.643 4.739 0.282 579 HE2 PHE 76 HE2 PHE 76 5.803 8.862 1.191 580 HZ PHE 76 HZ PHE 76 5.497 6.453 1.675 581 H ALA 77 H ALA 77 11.154 6.007 -2.163 582 HA ALA 77 HA ALA 77 11.290 5.021 0.488 583 1HB ALA 77 1HB ALA 77 13.026 4.327 -1.935 584 2HB ALA 77 2HB ALA 77 12.793 3.313 -0.508 585 3HB ALA 77 3HB ALA 77 11.433 3.625 -1.596 586 H LYS 78 H LYS 78 13.855 6.661 -1.496 587 HA LYS 78 HA LYS 78 15.785 6.546 0.589 588 1HB LYS 78 1HB LYS 78 15.467 8.360 -1.836 589 2HB LYS 78 2HB LYS 78 16.857 8.454 -0.749 590 1HG LYS 78 1HG LYS 78 17.626 6.283 -1.287 591 2HG LYS 78 2HG LYS 78 16.117 5.820 -2.072 592 1HD LYS 78 1HD LYS 78 16.476 7.478 -3.853 593 2HD LYS 78 2HD LYS 78 17.963 8.034 -3.065 594 1HE LYS 78 1HE LYS 78 18.997 5.822 -3.381 595 2HE LYS 78 2HE LYS 78 17.489 5.208 -4.095 596 1HZ LYS 78 1HZ LYS 78 19.078 7.421 -5.233 597 2HZ LYS 78 2HZ LYS 78 19.116 5.874 -5.806 598 3HZ LYS 78 3HZ LYS 78 17.747 6.767 -5.900 599 H LYS 79 H LYS 79 13.061 8.827 0.215 600 HA LYS 79 HA LYS 79 14.199 10.743 2.030 601 1HB LYS 79 1HB LYS 79 11.240 10.166 1.763 602 2HB LYS 79 2HB LYS 79 12.023 11.593 2.469 603 1HG LYS 79 1HG LYS 79 13.292 11.792 0.191 604 2HG LYS 79 2HG LYS 79 12.008 10.739 -0.405 605 1HD LYS 79 1HD LYS 79 10.359 12.483 0.526 606 2HD LYS 79 2HD LYS 79 11.738 13.537 0.750 607 1HE LYS 79 1HE LYS 79 11.080 12.161 -1.898 608 2HE LYS 79 2HE LYS 79 10.555 13.799 -1.497 609 1HZ LYS 79 1HZ LYS 79 12.871 14.422 -1.254 610 2HZ LYS 79 2HZ LYS 79 13.366 12.885 -1.677 611 3HZ LYS 79 3HZ LYS 79 12.626 13.801 -2.774 612 H HIS 80 H HIS 80 12.723 7.567 2.549 613 HA HIS 80 HA HIS 80 12.422 8.117 5.432 614 1HB HIS 80 1HB HIS 80 11.197 6.096 3.543 615 2HB HIS 80 2HB HIS 80 10.797 6.264 5.254 616 HD1 HIS 80 HD1 HIS 80 9.406 7.351 2.046 617 HD2 HIS 80 HD2 HIS 80 10.429 9.349 5.578 618 HE1 HIS 80 HE1 HIS 80 8.045 9.472 2.083 619 H GLY 81 H GLY 81 14.900 7.230 3.623 620 1HA GLY 81 1HA GLY 81 15.887 5.574 5.811 621 2HA GLY 81 2HA GLY 81 16.873 6.408 4.593 622 H ALA 82 H ALA 82 14.490 4.796 3.074 623 HA ALA 82 HA ALA 82 15.772 2.110 2.946 624 1HB ALA 82 1HB ALA 82 13.946 1.642 1.256 625 2HB ALA 82 2HB ALA 82 13.381 2.008 2.905 626 3HB ALA 82 3HB ALA 82 13.278 3.242 1.645 627 H ASP 83 H ASP 83 17.651 2.054 1.715 628 HA ASP 83 HA ASP 83 18.198 4.088 -0.288 629 1HB ASP 83 1HB ASP 83 20.190 2.595 -0.739 630 2HB ASP 83 2HB ASP 83 20.116 3.365 0.801 631 H GLU 84 H GLU 84 19.278 2.883 -2.403 632 HA GLU 84 HA GLU 84 16.959 2.174 -3.931 633 1HB GLU 84 1HB GLU 84 18.506 3.467 -5.054 634 2HB GLU 84 2HB GLU 84 19.884 2.730 -4.230 635 1HG GLU 84 1HG GLU 84 19.885 0.854 -5.518 636 2HG GLU 84 2HG GLU 84 18.319 1.237 -6.322 637 H THR 85 H THR 85 19.601 0.310 -2.304 638 HA THR 85 HA THR 85 18.995 -2.073 -3.832 639 HB THR 85 HB THR 85 20.264 -2.094 -1.065 640 HG1 THR 85 HG1 THR 85 22.214 -1.637 -1.966 641 1HG2 THR 85 1HG2 THR 85 19.936 -4.252 -2.243 642 2HG2 THR 85 2HG2 THR 85 20.841 -3.624 -3.633 643 3HG2 THR 85 3HG2 THR 85 21.657 -3.870 -2.079 644 H MET 86 H MET 86 18.052 -0.727 -0.658 645 HA MET 86 HA MET 86 16.400 -2.868 0.283 646 1HB MET 86 1HB MET 86 16.633 0.165 0.670 647 2HB MET 86 2HB MET 86 15.339 -0.692 1.431 648 1HG MET 86 1HG MET 86 17.010 -2.166 2.564 649 2HG MET 86 2HG MET 86 18.300 -1.233 1.804 650 1HE MET 86 1HE MET 86 19.418 -0.780 4.027 651 2HE MET 86 2HE MET 86 18.622 -0.051 5.455 652 3HE MET 86 3HE MET 86 18.167 -1.688 4.932 653 H ALA 87 H ALA 87 15.583 0.129 -1.572 654 HA ALA 87 HA ALA 87 12.865 -0.552 -1.990 655 1HB ALA 87 1HB ALA 87 13.889 1.680 -2.431 656 2HB ALA 87 2HB ALA 87 14.717 1.004 -3.852 657 3HB ALA 87 3HB ALA 87 12.935 1.083 -3.787 658 H GLN 88 H GLN 88 15.706 -1.204 -4.139 659 HA GLN 88 HA GLN 88 14.240 -2.597 -6.055 660 1HB GLN 88 1HB GLN 88 16.608 -1.680 -6.243 661 2HB GLN 88 2HB GLN 88 17.147 -3.110 -5.382 662 1HG GLN 88 1HG GLN 88 17.418 -3.288 -7.838 663 2HG GLN 88 2HG GLN 88 16.372 -4.553 -7.204 664 1HE2 GLN 88 1HE2 GLN 88 14.157 -4.559 -7.799 665 2HE2 GLN 88 2HE2 GLN 88 13.500 -3.522 -9.052 666 H GLN 89 H GLN 89 15.544 -3.884 -3.029 667 HA GLN 89 HA GLN 89 15.004 -6.660 -3.483 668 1HB GLN 89 1HB GLN 89 15.364 -4.852 -1.107 669 2HB GLN 89 2HB GLN 89 14.568 -6.337 -0.782 670 1HG GLN 89 1HG GLN 89 17.244 -6.169 -2.213 671 2HG GLN 89 2HG GLN 89 17.088 -6.209 -0.466 672 1HE2 GLN 89 1HE2 GLN 89 18.539 -8.172 -0.775 673 2HE2 GLN 89 2HE2 GLN 89 17.710 -9.701 -0.955 674 H LEU 90 H LEU 90 12.917 -4.025 -2.129 675 HA LEU 90 HA LEU 90 10.644 -5.746 -1.702 676 1HB LEU 90 1HB LEU 90 10.852 -2.722 -2.103 677 2HB LEU 90 2HB LEU 90 9.442 -3.536 -1.551 678 HG LEU 90 HG LEU 90 12.101 -3.349 -0.087 679 1HD1 LEU 90 1HD1 LEU 90 9.409 -2.005 0.399 680 2HD1 LEU 90 2HD1 LEU 90 10.815 -1.873 1.476 681 3HD1 LEU 90 3HD1 LEU 90 10.892 -1.242 -0.171 682 1HD2 LEU 90 1HD2 LEU 90 10.743 -5.493 0.442 683 2HD2 LEU 90 2HD2 LEU 90 11.283 -4.482 1.780 684 3HD2 LEU 90 3HD2 LEU 90 9.608 -4.387 1.254 685 H ILE 91 H ILE 91 11.582 -3.610 -4.351 686 HA ILE 91 HA ILE 91 9.204 -3.714 -5.887 687 HB ILE 91 HB ILE 91 12.170 -3.271 -6.381 688 1HG1 ILE 91 1HG1 ILE 91 9.893 -1.241 -6.273 689 2HG1 ILE 91 2HG1 ILE 91 10.768 -1.737 -4.876 690 1HG2 ILE 91 1HG2 ILE 91 11.322 -3.932 -8.573 691 2HG2 ILE 91 2HG2 ILE 91 10.106 -2.660 -8.504 692 3HG2 ILE 91 3HG2 ILE 91 11.804 -2.217 -8.527 693 1HD1 ILE 91 1HD1 ILE 91 12.905 -1.021 -6.057 694 2HD1 ILE 91 2HD1 ILE 91 11.838 -0.168 -7.197 695 3HD1 ILE 91 3HD1 ILE 91 11.797 0.183 -5.442 696 H ASP 92 H ASP 92 12.146 -5.762 -5.906 697 HA ASP 92 HA ASP 92 11.278 -7.458 -8.025 698 1HB ASP 92 1HB ASP 92 13.554 -7.222 -6.513 699 2HB ASP 92 2HB ASP 92 12.914 -8.648 -5.827 700 H ILE 93 H ILE 93 10.938 -7.693 -4.537 701 HA ILE 93 HA ILE 93 9.447 -10.100 -4.429 702 HB ILE 93 HB ILE 93 9.486 -7.647 -2.592 703 1HG1 ILE 93 1HG1 ILE 93 10.725 -10.420 -2.424 704 2HG1 ILE 93 2HG1 ILE 93 11.602 -9.028 -2.925 705 1HG2 ILE 93 1HG2 ILE 93 8.108 -10.293 -2.195 706 2HG2 ILE 93 2HG2 ILE 93 8.428 -9.103 -0.901 707 3HG2 ILE 93 3HG2 ILE 93 7.358 -8.691 -2.222 708 1HD1 ILE 93 1HD1 ILE 93 11.241 -7.930 -0.729 709 2HD1 ILE 93 2HD1 ILE 93 10.445 -9.410 -0.142 710 3HD1 ILE 93 3HD1 ILE 93 12.148 -9.446 -0.626 711 H VAL 94 H VAL 94 8.099 -6.741 -4.947 712 HA VAL 94 HA VAL 94 5.368 -7.601 -4.906 713 HB VAL 94 HB VAL 94 6.728 -5.354 -6.469 714 1HG1 VAL 94 1HG1 VAL 94 3.690 -5.819 -6.265 715 2HG1 VAL 94 2HG1 VAL 94 4.477 -4.359 -6.866 716 3HG1 VAL 94 3HG1 VAL 94 4.645 -5.842 -7.761 717 1HG2 VAL 94 1HG2 VAL 94 4.963 -5.554 -4.001 718 2HG2 VAL 94 2HG2 VAL 94 6.693 -5.122 -4.073 719 3HG2 VAL 94 3HG2 VAL 94 5.482 -4.031 -4.757 720 H HIS 95 H HIS 95 7.764 -7.575 -7.513 721 HA HIS 95 HA HIS 95 5.911 -8.600 -9.489 722 1HB HIS 95 1HB HIS 95 8.950 -8.372 -9.458 723 2HB HIS 95 2HB HIS 95 7.953 -8.630 -10.879 724 HD1 HIS 95 HD1 HIS 95 9.847 -5.966 -10.003 725 HD2 HIS 95 HD2 HIS 95 5.667 -6.322 -9.780 726 HE1 HIS 95 HE1 HIS 95 8.864 -3.591 -10.072 727 H GLY 96 H GLY 96 8.080 -10.003 -7.104 728 1HA GLY 96 1HA GLY 96 8.405 -12.185 -6.459 729 2HA GLY 96 2HA GLY 96 7.972 -12.707 -8.116 730 H CYS 97 H CYS 97 5.989 -10.814 -6.005 731 HA CYS 97 HA CYS 97 4.455 -13.068 -4.955 732 1HB CYS 97 1HB CYS 97 4.451 -10.079 -4.509 733 2HB CYS 97 2HB CYS 97 3.105 -11.058 -3.954 734 H GLU 98 H GLU 98 4.020 -10.523 -7.375 735 HA GLU 98 HA GLU 98 1.317 -10.766 -7.945 736 1HB GLU 98 1HB GLU 98 3.712 -10.264 -9.669 737 2HB GLU 98 2HB GLU 98 2.138 -10.437 -10.401 738 1HG GLU 98 1HG GLU 98 1.361 -8.596 -8.738 739 2HG GLU 98 2HG GLU 98 3.052 -8.326 -8.434 740 H LYS 99 H LYS 99 4.017 -12.908 -8.844 741 HA LYS 99 HA LYS 99 2.307 -14.628 -10.540 742 1HB LYS 99 1HB LYS 99 5.299 -14.353 -10.113 743 2HB LYS 99 2HB LYS 99 4.595 -15.713 -10.991 744 1HG LYS 99 1HG LYS 99 4.528 -14.524 -12.886 745 2HG LYS 99 2HG LYS 99 3.344 -13.457 -12.123 746 1HD LYS 99 1HD LYS 99 5.078 -12.095 -13.004 747 2HD LYS 99 2HD LYS 99 5.126 -12.040 -11.256 748 1HE LYS 99 1HE LYS 99 6.933 -13.945 -11.483 749 2HE LYS 99 2HE LYS 99 6.992 -13.475 -13.197 750 1HZ LYS 99 1HZ LYS 99 7.541 -11.205 -12.422 751 2HZ LYS 99 2HZ LYS 99 7.482 -11.691 -10.892 752 3HZ LYS 99 3HZ LYS 99 8.672 -12.275 -11.879 753 H SER 100 H SER 100 4.001 -14.834 -7.347 754 HA SER 100 HA SER 100 3.561 -17.699 -7.178 755 1HB SER 100 1HB SER 100 4.031 -17.422 -4.840 756 2HB SER 100 2HB SER 100 5.194 -16.460 -5.773 757 HG SER 100 HG SER 100 3.501 -15.689 -3.887 758 H THR 101 H THR 101 1.667 -14.798 -6.660 759 HA THR 101 HA THR 101 -0.670 -16.208 -5.607 760 HB THR 101 HB THR 101 -0.425 -13.380 -6.711 761 HG1 THR 101 HG1 THR 101 0.953 -13.393 -5.115 762 1HG2 THR 101 1HG2 THR 101 -2.762 -14.185 -6.384 763 2HG2 THR 101 2HG2 THR 101 -2.378 -14.586 -4.698 764 3HG2 THR 101 3HG2 THR 101 -2.325 -12.892 -5.259 765 HA PRO 102 HA PRO 102 -1.594 -17.324 -9.902 766 1HB PRO 102 1HB PRO 102 -4.017 -18.552 -9.592 767 2HB PRO 102 2HB PRO 102 -2.473 -19.313 -9.100 768 1HG PRO 102 1HG PRO 102 -4.472 -17.848 -7.363 769 2HG PRO 102 2HG PRO 102 -3.624 -19.396 -7.033 770 1HD PRO 102 1HD PRO 102 -2.805 -16.965 -6.031 771 2HD PRO 102 2HD PRO 102 -1.664 -18.291 -6.404 772 H ALA 103 H ALA 103 -2.828 -16.408 -11.561 773 HA ALA 103 HA ALA 103 -3.884 -13.788 -11.003 774 1HB ALA 103 1HB ALA 103 -3.881 -15.427 -13.565 775 2HB ALA 103 2HB ALA 103 -2.598 -14.315 -13.027 776 3HB ALA 103 3HB ALA 103 -4.207 -13.683 -13.420 777 H ASN 104 H ASN 104 -5.555 -14.118 -9.642 778 HA ASN 104 HA ASN 104 -7.901 -15.700 -9.939 779 1HB ASN 104 1HB ASN 104 -6.958 -14.353 -7.903 780 2HB ASN 104 2HB ASN 104 -7.708 -12.961 -8.659 781 1HD2 ASN 104 1HD2 ASN 104 -9.505 -12.527 -7.563 782 2HD2 ASN 104 2HD2 ASN 104 -10.659 -13.702 -6.948 783 H ASP 105 H ASP 105 -10.063 -15.153 -10.726 784 HA ASP 105 HA ASP 105 -10.350 -13.443 -12.879 785 1HB ASP 105 1HB ASP 105 -11.955 -15.181 -12.349 786 2HB ASP 105 2HB ASP 105 -12.379 -14.380 -10.826 787 H ASP 106 H ASP 106 -10.362 -12.767 -9.436 788 HA ASP 106 HA ASP 106 -11.700 -10.109 -9.864 789 1HB ASP 106 1HB ASP 106 -12.666 -11.881 -8.199 790 2HB ASP 106 2HB ASP 106 -11.309 -11.577 -7.273 791 H LYS 107 H LYS 107 -10.182 -8.477 -10.042 792 HA LYS 107 HA LYS 107 -7.462 -8.876 -9.486 793 1HB LYS 107 1HB LYS 107 -8.868 -7.023 -10.923 794 2HB LYS 107 2HB LYS 107 -8.511 -6.072 -9.515 795 1HG LYS 107 1HG LYS 107 -6.637 -5.602 -10.709 796 2HG LYS 107 2HG LYS 107 -6.018 -7.001 -9.867 797 1HD LYS 107 1HD LYS 107 -5.800 -8.198 -11.803 798 2HD LYS 107 2HD LYS 107 -7.397 -7.753 -12.358 799 1HE LYS 107 1HE LYS 107 -5.896 -6.875 -13.965 800 2HE LYS 107 2HE LYS 107 -6.532 -5.499 -13.059 801 1HZ LYS 107 1HZ LYS 107 -3.888 -6.765 -12.625 802 2HZ LYS 107 2HZ LYS 107 -4.150 -5.357 -13.419 803 3HZ LYS 107 3HZ LYS 107 -4.426 -5.429 -11.826 804 H CYS 108 H CYS 108 -10.027 -7.326 -7.636 805 HA CYS 108 HA CYS 108 -8.515 -6.181 -5.502 806 1HB CYS 108 1HB CYS 108 -10.630 -5.547 -5.482 807 2HB CYS 108 2HB CYS 108 -11.339 -7.022 -6.004 808 H ILE 109 H ILE 109 -10.227 -9.243 -5.530 809 HA ILE 109 HA ILE 109 -8.923 -10.363 -3.236 810 HB ILE 109 HB ILE 109 -10.299 -11.725 -5.603 811 1HG1 ILE 109 1HG1 ILE 109 -11.189 -10.998 -2.779 812 2HG1 ILE 109 2HG1 ILE 109 -11.820 -10.331 -4.266 813 1HG2 ILE 109 1HG2 ILE 109 -9.378 -12.958 -2.969 814 2HG2 ILE 109 2HG2 ILE 109 -10.351 -13.779 -4.221 815 3HG2 ILE 109 3HG2 ILE 109 -8.708 -13.305 -4.581 816 1HD1 ILE 109 1HD1 ILE 109 -12.566 -12.675 -4.903 817 2HD1 ILE 109 2HD1 ILE 109 -12.304 -13.067 -3.176 818 3HD1 ILE 109 3HD1 ILE 109 -13.456 -11.799 -3.657 819 H TRP 110 H TRP 110 -7.759 -10.529 -6.650 820 HA TRP 110 HA TRP 110 -5.452 -12.111 -6.035 821 1HB TRP 110 1HB TRP 110 -6.074 -11.676 -8.326 822 2HB TRP 110 2HB TRP 110 -5.938 -9.961 -8.126 823 HD1 TRP 110 HD1 TRP 110 -3.725 -13.075 -8.334 824 HE1 TRP 110 HE1 TRP 110 -1.384 -12.411 -9.237 825 HE3 TRP 110 HE3 TRP 110 -4.316 -8.015 -8.351 826 HZ2 TRP 110 HZ2 TRP 110 -0.013 -9.946 -10.002 827 HZ3 TRP 110 HZ3 TRP 110 -2.535 -6.536 -9.213 828 HH2 TRP 110 HH2 TRP 110 -0.412 -7.479 -10.041 829 H THR 111 H THR 111 -5.900 -8.552 -5.986 830 HA THR 111 HA THR 111 -3.300 -7.857 -5.225 831 HB THR 111 HB THR 111 -5.965 -6.450 -4.762 832 HG1 THR 111 HG1 THR 111 -5.628 -6.792 -6.892 833 1HG2 THR 111 1HG2 THR 111 -3.137 -5.356 -4.692 834 2HG2 THR 111 2HG2 THR 111 -4.567 -4.358 -4.842 835 3HG2 THR 111 3HG2 THR 111 -4.326 -5.324 -3.374 836 H LEU 112 H LEU 112 -6.061 -8.893 -3.173 837 HA LEU 112 HA LEU 112 -4.909 -8.336 -0.598 838 1HB LEU 112 1HB LEU 112 -7.285 -8.683 -0.982 839 2HB LEU 112 2HB LEU 112 -7.016 -10.278 -1.612 840 HG LEU 112 HG LEU 112 -7.956 -10.027 0.678 841 1HD1 LEU 112 1HD1 LEU 112 -6.946 -12.116 -0.255 842 2HD1 LEU 112 2HD1 LEU 112 -5.471 -11.723 0.643 843 3HD1 LEU 112 3HD1 LEU 112 -7.007 -11.986 1.526 844 1HD2 LEU 112 1HD2 LEU 112 -6.361 -8.277 1.476 845 2HD2 LEU 112 2HD2 LEU 112 -6.639 -9.624 2.595 846 3HD2 LEU 112 3HD2 LEU 112 -5.143 -9.558 1.646 847 H GLY 113 H GLY 113 -4.998 -11.228 -2.719 848 1HA GLY 113 1HA GLY 113 -3.384 -12.827 -3.096 849 2HA GLY 113 2HA GLY 113 -3.251 -12.941 -1.337 850 H VAL 114 H VAL 114 -2.231 -10.673 -3.957 851 HA VAL 114 HA VAL 114 0.513 -11.033 -3.763 852 HB VAL 114 HB VAL 114 -1.055 -8.593 -4.654 853 1HG1 VAL 114 1HG1 VAL 114 1.845 -9.340 -5.268 854 2HG1 VAL 114 2HG1 VAL 114 0.937 -8.002 -5.991 855 3HG1 VAL 114 3HG1 VAL 114 1.327 -7.960 -4.272 856 1HG2 VAL 114 1HG2 VAL 114 0.104 -10.986 -6.143 857 2HG2 VAL 114 2HG2 VAL 114 -1.608 -10.616 -5.948 858 3HG2 VAL 114 3HG2 VAL 114 -0.600 -9.544 -6.914 859 H ALA 115 H ALA 115 -1.425 -8.470 -2.032 860 HA ALA 115 HA ALA 115 0.833 -7.328 -0.728 861 1HB ALA 115 1HB ALA 115 -1.275 -6.116 -0.901 862 2HB ALA 115 2HB ALA 115 -0.884 -6.340 0.810 863 3HB ALA 115 3HB ALA 115 -2.117 -7.367 0.032 864 H THR 116 H THR 116 -1.334 -9.994 0.230 865 HA THR 116 HA THR 116 -0.254 -10.231 2.885 866 HB THR 116 HB THR 116 -1.651 -12.332 1.147 867 HG1 THR 116 HG1 THR 116 -2.980 -10.645 1.318 868 1HG2 THR 116 1HG2 THR 116 -1.431 -12.125 4.182 869 2HG2 THR 116 2HG2 THR 116 -2.351 -13.345 3.268 870 3HG2 THR 116 3HG2 THR 116 -0.591 -13.307 3.153 871 H CYS 117 H CYS 117 0.631 -11.648 -0.285 872 HA CYS 117 HA CYS 117 2.774 -13.272 0.658 873 1HB CYS 117 1HB CYS 117 1.909 -13.615 -1.517 874 2HB CYS 117 2HB CYS 117 2.212 -11.958 -2.011 875 H PHE 118 H PHE 118 2.880 -9.796 -0.639 876 HA PHE 118 HA PHE 118 5.581 -9.543 -0.454 877 1HB PHE 118 1HB PHE 118 4.021 -7.941 -1.487 878 2HB PHE 118 2HB PHE 118 3.468 -7.418 0.095 879 HD1 PHE 118 HD1 PHE 118 6.954 -7.916 0.324 880 HD2 PHE 118 HD2 PHE 118 4.154 -5.217 -1.381 881 HE1 PHE 118 HE1 PHE 118 8.650 -6.151 0.365 882 HE2 PHE 118 HE2 PHE 118 5.839 -3.334 -1.138 883 HZ PHE 118 HZ PHE 118 7.970 -3.779 -0.171 884 H LYS 119 H LYS 119 3.392 -8.501 2.116 885 HA LYS 119 HA LYS 119 5.051 -7.755 4.111 886 1HB LYS 119 1HB LYS 119 2.391 -8.322 3.931 887 2HB LYS 119 2HB LYS 119 2.850 -9.634 4.904 888 1HG LYS 119 1HG LYS 119 4.236 -7.700 6.247 889 2HG LYS 119 2HG LYS 119 2.975 -6.694 5.544 890 1HD LYS 119 1HD LYS 119 2.100 -7.238 7.624 891 2HD LYS 119 2HD LYS 119 1.309 -8.384 6.580 892 1HE LYS 119 1HE LYS 119 2.032 -9.701 8.395 893 2HE LYS 119 2HE LYS 119 3.266 -10.019 7.171 894 1HZ LYS 119 1HZ LYS 119 3.489 -8.036 9.357 895 2HZ LYS 119 2HZ LYS 119 4.148 -9.523 9.418 896 3HZ LYS 119 3HZ LYS 119 4.712 -8.434 8.322 897 H ALA 120 H ALA 120 4.137 -11.078 3.455 898 HA ALA 120 HA ALA 120 5.536 -12.320 5.660 899 1HB ALA 120 1HB ALA 120 5.253 -14.430 4.443 900 2HB ALA 120 2HB ALA 120 3.742 -13.509 4.404 901 3HB ALA 120 3HB ALA 120 4.795 -13.564 2.976 902 H GLU 121 H GLU 121 6.498 -11.557 2.266 903 HA GLU 121 HA GLU 121 9.064 -12.759 2.405 904 1HB GLU 121 1HB GLU 121 8.147 -10.416 0.726 905 2HB GLU 121 2HB GLU 121 9.591 -11.351 0.450 906 1HG GLU 121 1HG GLU 121 6.783 -12.564 0.343 907 2HG GLU 121 2HG GLU 121 7.646 -11.940 -1.040 908 H ILE 122 H ILE 122 7.940 -9.402 3.116 909 HA ILE 122 HA ILE 122 10.481 -8.396 3.807 910 HB ILE 122 HB ILE 122 7.878 -7.627 5.157 911 1HG1 ILE 122 1HG1 ILE 122 9.108 -6.397 2.676 912 2HG1 ILE 122 2HG1 ILE 122 7.718 -7.468 2.683 913 1HG2 ILE 122 1HG2 ILE 122 9.922 -6.781 6.319 914 2HG2 ILE 122 2HG2 ILE 122 10.450 -6.037 4.795 915 3HG2 ILE 122 3HG2 ILE 122 8.976 -5.484 5.624 916 1HD1 ILE 122 1HD1 ILE 122 6.525 -5.858 4.222 917 2HD1 ILE 122 2HD1 ILE 122 7.820 -4.685 3.867 918 3HD1 ILE 122 3HD1 ILE 122 6.791 -5.301 2.571 919 H HIS 123 H HIS 123 8.260 -10.449 5.690 920 HA HIS 123 HA HIS 123 9.755 -10.280 8.122 921 1HB HIS 123 1HB HIS 123 7.315 -11.105 7.633 922 2HB HIS 123 2HB HIS 123 8.093 -12.663 7.433 923 HD1 HIS 123 HD1 HIS 123 7.074 -13.739 9.683 924 HD2 HIS 123 HD2 HIS 123 9.278 -10.189 10.182 925 HE1 HIS 123 HE1 HIS 123 7.356 -13.400 12.186 926 H LYS 124 H LYS 124 10.478 -11.855 5.202 927 HA LYS 124 HA LYS 124 12.346 -13.787 6.476 928 1HB LYS 124 1HB LYS 124 11.886 -13.185 3.545 929 2HB LYS 124 2HB LYS 124 12.850 -14.501 4.176 930 1HG LYS 124 1HG LYS 124 10.959 -15.725 4.962 931 2HG LYS 124 2HG LYS 124 9.905 -14.312 4.920 932 1HD LYS 124 1HD LYS 124 9.207 -15.376 2.996 933 2HD LYS 124 2HD LYS 124 10.419 -14.246 2.386 934 1HE LYS 124 1HE LYS 124 12.101 -16.184 2.656 935 2HE LYS 124 2HE LYS 124 10.650 -17.211 2.739 936 1HZ LYS 124 1HZ LYS 124 10.013 -16.073 0.577 937 2HZ LYS 124 2HZ LYS 124 11.489 -15.446 0.538 938 3HZ LYS 124 3HZ LYS 124 11.293 -17.090 0.482 939 H LEU 125 H LEU 125 12.383 -10.616 4.817 940 HA LEU 125 HA LEU 125 15.143 -10.503 4.177 941 1HB LEU 125 1HB LEU 125 13.255 -8.257 4.994 942 2HB LEU 125 2HB LEU 125 14.880 -7.963 4.524 943 HG LEU 125 HG LEU 125 13.007 -9.370 2.604 944 1HD1 LEU 125 1HD1 LEU 125 12.037 -7.153 3.194 945 2HD1 LEU 125 2HD1 LEU 125 13.572 -6.383 2.843 946 3HD1 LEU 125 3HD1 LEU 125 12.659 -7.173 1.537 947 1HD2 LEU 125 1HD2 LEU 125 15.696 -7.929 2.417 948 2HD2 LEU 125 2HD2 LEU 125 15.346 -9.606 2.037 949 3HD2 LEU 125 3HD2 LEU 125 14.731 -8.322 0.977 950 H ASN 126 H ASN 126 16.794 -9.302 5.184 951 HA ASN 126 HA ASN 126 17.090 -9.811 8.048 952 1HB ASN 126 1HB ASN 126 19.013 -10.055 6.464 953 2HB ASN 126 2HB ASN 126 18.878 -8.353 6.045 954 1HD2 ASN 126 1HD2 ASN 126 19.947 -6.883 7.337 955 2HD2 ASN 126 2HD2 ASN 126 20.655 -7.263 8.905 956 H TRP 127 H TRP 127 16.082 -7.228 6.135 957 HA TRP 127 HA TRP 127 16.467 -5.236 8.339 958 1HB TRP 127 1HB TRP 127 16.647 -3.501 6.680 959 2HB TRP 127 2HB TRP 127 17.853 -4.718 6.421 960 HD1 TRP 127 HD1 TRP 127 17.199 -6.512 4.266 961 HE1 TRP 127 HE1 TRP 127 16.061 -5.960 2.054 962 HE3 TRP 127 HE3 TRP 127 15.026 -2.016 5.523 963 HZ2 TRP 127 HZ2 TRP 127 14.139 -4.059 1.069 964 HZ3 TRP 127 HZ3 TRP 127 13.569 -0.861 3.887 965 HH2 TRP 127 HH2 TRP 127 13.097 -1.892 1.675 966 H ALA 128 H ALA 128 14.861 -3.315 7.942 967 HA ALA 128 HA ALA 128 12.108 -4.434 7.614 968 1HB ALA 128 1HB ALA 128 13.212 -3.166 10.122 969 2HB ALA 128 2HB ALA 128 12.666 -4.846 9.897 970 3HB ALA 128 3HB ALA 128 11.492 -3.514 9.813 971 HA PRO 129 HA PRO 129 12.181 -0.278 5.591 972 1HB PRO 129 1HB PRO 129 9.500 -1.029 4.633 973 2HB PRO 129 2HB PRO 129 10.968 -0.655 3.693 974 1HG PRO 129 1HG PRO 129 9.778 -3.214 4.117 975 2HG PRO 129 2HG PRO 129 11.379 -2.895 3.411 976 1HD PRO 129 1HD PRO 129 10.732 -3.949 6.037 977 2HD PRO 129 2HD PRO 129 12.312 -3.861 5.222 978 H SER 130 H SER 130 10.878 1.655 6.016 979 HA SER 130 HA SER 130 9.104 1.708 8.259 980 1HB SER 130 1HB SER 130 8.730 3.642 6.013 981 2HB SER 130 2HB SER 130 8.868 3.935 7.752 982 HG SER 130 HG SER 130 10.786 4.625 7.135 983 H MET 131 H MET 131 6.776 1.584 8.237 984 HA MET 131 HA MET 131 5.522 0.036 6.190 985 1HB MET 131 1HB MET 131 4.617 1.680 8.543 986 2HB MET 131 2HB MET 131 3.420 1.306 7.296 987 1HG MET 131 1HG MET 131 5.206 -0.878 8.364 988 2HG MET 131 2HG MET 131 3.775 -0.380 9.254 989 1HE MET 131 1HE MET 131 2.852 -2.808 9.188 990 2HE MET 131 2HE MET 131 2.693 -3.796 7.714 991 3HE MET 131 3HE MET 131 4.295 -3.322 8.287 992 H ASP 132 H ASP 132 5.714 3.634 6.670 993 HA ASP 132 HA ASP 132 4.334 4.525 4.562 994 1HB ASP 132 1HB ASP 132 7.060 5.473 5.465 995 2HB ASP 132 2HB ASP 132 6.015 6.338 4.324 996 H VAL 133 H VAL 133 7.626 3.068 4.364 997 HA VAL 133 HA VAL 133 7.922 3.497 1.526 998 HB VAL 133 HB VAL 133 9.453 1.674 3.420 999 1HG1 VAL 133 1HG1 VAL 133 10.019 2.491 0.526 1000 2HG1 VAL 133 2HG1 VAL 133 11.174 1.662 1.616 1001 3HG1 VAL 133 3HG1 VAL 133 9.692 0.868 1.114 1002 1HG2 VAL 133 1HG2 VAL 133 10.096 4.431 2.296 1003 2HG2 VAL 133 2HG2 VAL 133 9.702 4.078 3.981 1004 3HG2 VAL 133 3HG2 VAL 133 11.190 3.440 3.281 1005 H ALA 134 H ALA 134 7.439 0.370 3.379 1006 HA ALA 134 HA ALA 134 7.142 -1.096 0.943 1007 1HB ALA 134 1HB ALA 134 7.738 -2.128 3.102 1008 2HB ALA 134 2HB ALA 134 6.098 -1.782 3.722 1009 3HB ALA 134 3HB ALA 134 6.331 -2.912 2.367 1010 H VAL 135 H VAL 135 4.600 0.525 2.925 1011 HA VAL 135 HA VAL 135 2.480 -0.658 1.281 1012 HB VAL 135 HB VAL 135 2.326 1.521 3.379 1013 1HG1 VAL 135 1HG1 VAL 135 0.206 -0.277 2.149 1014 2HG1 VAL 135 2HG1 VAL 135 -0.053 0.766 3.580 1015 3HG1 VAL 135 3HG1 VAL 135 0.329 1.491 2.020 1016 1HG2 VAL 135 1HG2 VAL 135 2.061 -1.505 3.642 1017 2HG2 VAL 135 2HG2 VAL 135 3.228 -0.457 4.464 1018 3HG2 VAL 135 3HG2 VAL 135 1.524 -0.347 4.885 1019 H GLY 136 H GLY 136 4.604 2.092 1.111 1020 1HA GLY 136 1HA GLY 136 4.668 3.916 -0.306 1021 2HA GLY 136 2HA GLY 136 2.977 3.691 -0.716 1022 H GLU 137 H GLU 137 5.872 1.524 -0.985 1023 HA GLU 137 HA GLU 137 6.185 1.866 -3.783 1024 1HB GLU 137 1HB GLU 137 7.172 -0.373 -1.980 1025 2HB GLU 137 2HB GLU 137 7.669 -0.071 -3.638 1026 1HG GLU 137 1HG GLU 137 8.149 2.420 -2.414 1027 2HG GLU 137 2HG GLU 137 8.384 1.325 -1.088 1028 H ILE 138 H ILE 138 4.592 -0.722 -1.850 1029 HA ILE 138 HA ILE 138 4.006 -2.287 -4.072 1030 HB ILE 138 HB ILE 138 3.752 -2.925 -1.645 1031 1HG1 ILE 138 1HG1 ILE 138 1.637 -3.776 -3.636 1032 2HG1 ILE 138 2HG1 ILE 138 3.166 -4.503 -3.292 1033 1HG2 ILE 138 1HG2 ILE 138 2.345 -0.997 -0.974 1034 2HG2 ILE 138 2HG2 ILE 138 0.958 -1.754 -1.780 1035 3HG2 ILE 138 3HG2 ILE 138 1.743 -2.557 -0.406 1036 1HD1 ILE 138 1HD1 ILE 138 2.139 -4.943 -0.871 1037 2HD1 ILE 138 2HD1 ILE 138 0.612 -4.646 -1.701 1038 3HD1 ILE 138 3HD1 ILE 138 1.693 -5.968 -2.232 1039 H LEU 139 H LEU 139 2.345 0.644 -3.034 1040 HA LEU 139 HA LEU 139 -0.026 0.259 -4.722 1041 1HB LEU 139 1HB LEU 139 1.122 2.619 -3.173 1042 2HB LEU 139 2HB LEU 139 -0.328 2.704 -4.068 1043 HG LEU 139 HG LEU 139 0.189 0.774 -1.754 1044 1HD1 LEU 139 1HD1 LEU 139 0.057 3.180 -1.121 1045 2HD1 LEU 139 2HD1 LEU 139 -1.566 3.258 -1.829 1046 3HD1 LEU 139 3HD1 LEU 139 -1.223 2.169 -0.436 1047 1HD2 LEU 139 1HD2 LEU 139 -2.388 1.290 -3.239 1048 2HD2 LEU 139 2HD2 LEU 139 -1.450 -0.219 -3.189 1049 3HD2 LEU 139 3HD2 LEU 139 -2.237 0.365 -1.729 1050 H ALA 140 H ALA 140 2.931 2.151 -4.740 1051 HA ALA 140 HA ALA 140 2.643 3.373 -7.296 1052 1HB ALA 140 1HB ALA 140 4.594 3.892 -5.991 1053 2HB ALA 140 2HB ALA 140 5.172 2.210 -6.046 1054 3HB ALA 140 3HB ALA 140 5.131 3.163 -7.519 1055 H GLU 141 H GLU 141 3.526 -0.029 -6.513 1056 HA GLU 141 HA GLU 141 4.025 -0.548 -9.308 1057 1HB GLU 141 1HB GLU 141 4.312 -2.091 -6.717 1058 2HB GLU 141 2HB GLU 141 4.776 -2.744 -8.323 1059 1HG GLU 141 1HG GLU 141 6.276 -0.966 -8.729 1060 2HG GLU 141 2HG GLU 141 5.855 -0.124 -7.226 1061 H VAL 142 H VAL 142 1.402 -1.535 -7.122 1062 HA VAL 142 HA VAL 142 0.648 -3.707 -8.950 1063 HB VAL 142 HB VAL 142 -0.091 -2.923 -6.161 1064 1HG1 VAL 142 1HG1 VAL 142 -1.456 -5.046 -7.816 1065 2HG1 VAL 142 2HG1 VAL 142 -1.436 -5.055 -6.044 1066 3HG1 VAL 142 3HG1 VAL 142 -2.184 -3.696 -6.895 1067 1HG2 VAL 142 1HG2 VAL 142 2.028 -4.092 -6.462 1068 2HG2 VAL 142 2HG2 VAL 142 0.893 -5.137 -5.619 1069 3HG2 VAL 142 3HG2 VAL 142 1.219 -5.402 -7.352 No H/Q in entry = 1069 Start of MODEL 9 1 H SER 1 H SER 1 0.885 23.869 19.138 2 HA SER 1 HA SER 1 -0.937 21.729 18.214 3 1HB SER 1 1HB SER 1 0.548 23.798 16.552 4 2HB SER 1 2HB SER 1 -0.590 22.563 15.958 5 HG SER 1 HG SER 1 -1.592 24.603 16.209 6 H GLN 2 H GLN 2 0.047 19.830 17.538 7 HA GLN 2 HA GLN 2 3.010 19.703 17.353 8 1HB GLN 2 1HB GLN 2 0.896 17.549 16.894 9 2HB GLN 2 2HB GLN 2 2.645 17.334 16.872 10 1HG GLN 2 1HG GLN 2 0.968 18.069 19.299 11 2HG GLN 2 2HG GLN 2 1.687 16.502 18.951 12 1HE2 GLN 2 1HE2 GLN 2 2.118 18.296 21.319 13 2HE2 GLN 2 2HE2 GLN 2 3.837 18.657 21.317 14 H GLU 3 H GLU 3 3.554 18.408 15.015 15 HA GLU 3 HA GLU 3 2.001 19.611 12.852 16 1HB GLU 3 1HB GLU 3 3.892 21.024 13.329 17 2HB GLU 3 2HB GLU 3 4.957 19.643 13.553 18 1HG GLU 3 1HG GLU 3 4.835 19.076 11.215 19 2HG GLU 3 2HG GLU 3 3.638 20.356 10.915 20 H VAL 4 H VAL 4 1.014 17.519 13.166 21 HA VAL 4 HA VAL 4 0.636 15.315 12.635 22 HB VAL 4 HB VAL 4 1.508 16.914 10.256 23 1HG1 VAL 4 1HG1 VAL 4 0.153 14.165 10.252 24 2HG1 VAL 4 2HG1 VAL 4 0.018 15.312 8.880 25 3HG1 VAL 4 3HG1 VAL 4 1.582 14.659 9.328 26 1HG2 VAL 4 1HG2 VAL 4 -1.198 16.173 11.446 27 2HG2 VAL 4 2HG2 VAL 4 -0.390 17.743 11.537 28 3HG2 VAL 4 3HG2 VAL 4 -0.950 17.150 9.968 29 H MET 5 H MET 5 2.217 14.614 14.039 30 HA MET 5 HA MET 5 4.529 13.178 12.802 31 1HB MET 5 1HB MET 5 5.802 13.856 14.751 32 2HB MET 5 2HB MET 5 5.161 15.272 13.936 33 1HG MET 5 1HG MET 5 3.575 15.685 15.607 34 2HG MET 5 2HG MET 5 3.632 14.038 16.226 35 1HE MET 5 1HE MET 5 4.526 13.510 18.376 36 2HE MET 5 2HE MET 5 5.224 14.770 19.411 37 3HE MET 5 3HE MET 5 3.636 15.038 18.654 38 H LYS 6 H LYS 6 1.767 12.227 13.575 39 HA LYS 6 HA LYS 6 2.239 10.377 15.795 40 1HB LYS 6 1HB LYS 6 -0.141 10.731 13.885 41 2HB LYS 6 2HB LYS 6 -0.063 9.612 15.256 42 1HG LYS 6 1HG LYS 6 0.464 11.639 16.705 43 2HG LYS 6 2HG LYS 6 -0.132 12.638 15.377 44 1HD LYS 6 1HD LYS 6 -2.316 11.669 15.511 45 2HD LYS 6 2HD LYS 6 -1.774 10.323 16.526 46 1HE LYS 6 1HE LYS 6 -1.721 13.243 17.405 47 2HE LYS 6 2HE LYS 6 -3.062 12.148 17.716 48 1HZ LYS 6 1HZ LYS 6 -0.301 11.713 18.699 49 2HZ LYS 6 2HZ LYS 6 -1.574 12.264 19.586 50 3HZ LYS 6 3HZ LYS 6 -1.603 10.737 18.997 51 H ASN 7 H ASN 7 0.957 8.165 14.787 52 HA ASN 7 HA ASN 7 2.685 6.634 13.158 53 1HB ASN 7 1HB ASN 7 0.740 5.202 12.970 54 2HB ASN 7 2HB ASN 7 0.769 5.740 14.634 55 1HD2 ASN 7 1HD2 ASN 7 -1.386 4.985 12.485 56 2HD2 ASN 7 2HD2 ASN 7 -2.585 6.272 12.666 57 H LEU 8 H LEU 8 2.155 5.952 11.044 58 HA LEU 8 HA LEU 8 2.035 6.289 8.869 59 1HB LEU 8 1HB LEU 8 -0.021 5.177 9.522 60 2HB LEU 8 2HB LEU 8 -0.860 6.691 9.712 61 HG LEU 8 HG LEU 8 -1.158 5.183 7.658 62 1HD1 LEU 8 1HD1 LEU 8 -2.115 7.487 8.094 63 2HD1 LEU 8 2HD1 LEU 8 -0.809 8.124 7.075 64 3HD1 LEU 8 3HD1 LEU 8 -2.005 7.000 6.408 65 1HD2 LEU 8 1HD2 LEU 8 1.373 5.165 7.152 66 2HD2 LEU 8 2HD2 LEU 8 0.277 5.349 5.825 67 3HD2 LEU 8 3HD2 LEU 8 1.119 6.784 6.446 68 H SER 9 H SER 9 3.283 7.856 8.131 69 HA SER 9 HA SER 9 2.546 10.656 8.455 70 1HB SER 9 1HB SER 9 4.997 9.180 7.413 71 2HB SER 9 2HB SER 9 4.872 10.944 7.564 72 HG SER 9 HG SER 9 4.510 10.696 9.739 73 H LEU 10 H LEU 10 2.468 8.269 5.886 74 HA LEU 10 HA LEU 10 1.735 10.139 3.820 75 1HB LEU 10 1HB LEU 10 1.275 7.194 4.195 76 2HB LEU 10 2HB LEU 10 0.508 8.032 2.857 77 HG LEU 10 HG LEU 10 3.460 7.513 3.248 78 1HD1 LEU 10 1HD1 LEU 10 1.452 6.750 1.115 79 2HD1 LEU 10 2HD1 LEU 10 3.206 6.657 0.885 80 3HD1 LEU 10 3HD1 LEU 10 2.472 5.705 2.145 81 1HD2 LEU 10 1HD2 LEU 10 2.107 9.495 1.341 82 2HD2 LEU 10 2HD2 LEU 10 3.415 9.816 2.501 83 3HD2 LEU 10 3HD2 LEU 10 3.732 8.852 1.077 84 H ASN 11 H ASN 11 -0.806 9.520 2.892 85 HA ASN 11 HA ASN 11 -2.552 10.479 5.124 86 1HB ASN 11 1HB ASN 11 -1.589 12.315 3.683 87 2HB ASN 11 2HB ASN 11 -2.523 11.639 2.336 88 1HD2 ASN 11 1HD2 ASN 11 -3.110 14.096 2.810 89 2HD2 ASN 11 2HD2 ASN 11 -4.540 14.371 3.827 90 H PHE 12 H PHE 12 -2.762 7.933 4.735 91 HA PHE 12 HA PHE 12 -4.096 7.000 2.425 92 1HB PHE 12 1HB PHE 12 -3.637 5.938 5.200 93 2HB PHE 12 2HB PHE 12 -4.638 5.058 4.070 94 HD1 PHE 12 HD1 PHE 12 -3.756 3.735 2.344 95 HD2 PHE 12 HD2 PHE 12 -1.153 6.338 4.568 96 HE1 PHE 12 HE1 PHE 12 -1.782 2.668 1.294 97 HE2 PHE 12 HE2 PHE 12 0.820 5.295 3.441 98 HZ PHE 12 HZ PHE 12 0.505 3.532 1.753 99 H GLY 13 H GLY 13 -5.449 8.133 5.564 100 1HA GLY 13 1HA GLY 13 -7.637 8.485 6.179 101 2HA GLY 13 2HA GLY 13 -8.000 7.023 5.264 102 H LYS 14 H LYS 14 -6.760 10.152 4.015 103 HA LYS 14 HA LYS 14 -9.245 10.959 2.832 104 1HB LYS 14 1HB LYS 14 -6.432 11.882 2.885 105 2HB LYS 14 2HB LYS 14 -7.199 12.204 1.342 106 1HG LYS 14 1HG LYS 14 -8.616 12.871 3.947 107 2HG LYS 14 2HG LYS 14 -7.452 13.978 3.213 108 1HD LYS 14 1HD LYS 14 -9.757 12.862 1.567 109 2HD LYS 14 2HD LYS 14 -10.015 14.237 2.634 110 1HE LYS 14 1HE LYS 14 -7.905 14.145 0.422 111 2HE LYS 14 2HE LYS 14 -9.516 14.868 0.271 112 1HZ LYS 14 1HZ LYS 14 -7.495 15.712 2.249 113 2HZ LYS 14 2HZ LYS 14 -7.840 16.524 0.851 114 3HZ LYS 14 3HZ LYS 14 -8.966 16.388 2.026 115 H ALA 15 H ALA 15 -6.426 9.243 1.471 116 HA ALA 15 HA ALA 15 -7.568 9.073 -1.201 117 1HB ALA 15 1HB ALA 15 -5.604 7.227 0.276 118 2HB ALA 15 2HB ALA 15 -5.145 8.649 -0.661 119 3HB ALA 15 3HB ALA 15 -5.905 7.271 -1.473 120 H LEU 16 H LEU 16 -7.859 6.980 1.696 121 HA LEU 16 HA LEU 16 -9.483 4.936 0.540 122 1HB LEU 16 1HB LEU 16 -9.068 5.943 3.367 123 2HB LEU 16 2HB LEU 16 -10.150 4.616 3.011 124 HG LEU 16 HG LEU 16 -7.248 4.542 2.109 125 1HD1 LEU 16 1HD1 LEU 16 -7.251 4.860 4.552 126 2HD1 LEU 16 2HD1 LEU 16 -8.379 3.488 4.730 127 3HD1 LEU 16 3HD1 LEU 16 -6.732 3.228 4.106 128 1HD2 LEU 16 1HD2 LEU 16 -8.818 2.830 1.134 129 2HD2 LEU 16 2HD2 LEU 16 -7.533 2.133 2.162 130 3HD2 LEU 16 3HD2 LEU 16 -9.151 2.287 2.812 131 H ASP 17 H ASP 17 -10.237 8.074 2.116 132 HA ASP 17 HA ASP 17 -13.004 7.852 2.098 133 1HB ASP 17 1HB ASP 17 -12.056 9.673 3.322 134 2HB ASP 17 2HB ASP 17 -11.156 10.253 1.948 135 H GLU 18 H GLU 18 -10.854 8.501 -0.635 136 HA GLU 18 HA GLU 18 -13.189 8.946 -2.413 137 1HB GLU 18 1HB GLU 18 -10.185 8.620 -3.034 138 2HB GLU 18 2HB GLU 18 -11.462 9.077 -4.184 139 1HG GLU 18 1HG GLU 18 -11.785 10.949 -2.142 140 2HG GLU 18 2HG GLU 18 -10.021 10.697 -2.192 141 H CYS 19 H CYS 19 -10.733 6.385 -1.747 142 HA CYS 19 HA CYS 19 -11.654 4.792 -3.823 143 1HB CYS 19 1HB CYS 19 -9.995 4.391 -1.348 144 2HB CYS 19 2HB CYS 19 -10.550 2.964 -2.217 145 H LYS 20 H LYS 20 -13.239 4.993 -0.583 146 HA LYS 20 HA LYS 20 -14.442 2.459 -1.030 147 1HB LYS 20 1HB LYS 20 -15.012 2.806 1.131 148 2HB LYS 20 2HB LYS 20 -13.745 4.056 1.134 149 1HG LYS 20 1HG LYS 20 -16.515 4.585 0.446 150 2HG LYS 20 2HG LYS 20 -15.932 4.588 2.108 151 1HD LYS 20 1HD LYS 20 -14.490 6.367 0.357 152 2HD LYS 20 2HD LYS 20 -16.225 6.683 0.286 153 1HE LYS 20 1HE LYS 20 -14.572 6.553 2.854 154 2HE LYS 20 2HE LYS 20 -15.041 8.051 2.037 155 1HZ LYS 20 1HZ LYS 20 -17.027 6.133 3.095 156 2HZ LYS 20 2HZ LYS 20 -16.425 7.396 3.924 157 3HZ LYS 20 3HZ LYS 20 -17.289 7.683 2.599 158 H LYS 21 H LYS 21 -14.790 5.891 -2.141 159 HA LYS 21 HA LYS 21 -17.612 5.663 -2.440 160 1HB LYS 21 1HB LYS 21 -15.674 7.639 -3.749 161 2HB LYS 21 2HB LYS 21 -17.429 7.684 -3.855 162 1HG LYS 21 1HG LYS 21 -17.464 7.666 -1.315 163 2HG LYS 21 2HG LYS 21 -15.734 7.965 -1.405 164 1HD LYS 21 1HD LYS 21 -16.107 10.108 -2.495 165 2HD LYS 21 2HD LYS 21 -17.858 9.773 -2.582 166 1HE LYS 21 1HE LYS 21 -17.868 10.950 -0.581 167 2HE LYS 21 2HE LYS 21 -17.582 9.321 0.030 168 1HZ LYS 21 1HZ LYS 21 -15.153 9.928 -0.114 169 2HZ LYS 21 2HZ LYS 21 -15.634 11.494 -0.296 170 3HZ LYS 21 3HZ LYS 21 -16.030 10.655 1.056 171 H GLU 22 H GLU 22 -14.782 5.485 -4.704 172 HA GLU 22 HA GLU 22 -15.935 5.247 -7.098 173 1HB GLU 22 1HB GLU 22 -13.572 3.862 -5.788 174 2HB GLU 22 2HB GLU 22 -13.894 3.581 -7.494 175 1HG GLU 22 1HG GLU 22 -13.870 6.445 -6.529 176 2HG GLU 22 2HG GLU 22 -12.379 5.556 -6.585 177 H MET 23 H MET 23 -15.506 2.587 -4.872 178 HA MET 23 HA MET 23 -16.775 0.683 -6.748 179 1HB MET 23 1HB MET 23 -15.720 -0.128 -4.082 180 2HB MET 23 2HB MET 23 -15.633 -0.958 -5.602 181 1HG MET 23 1HG MET 23 -13.971 1.218 -6.081 182 2HG MET 23 2HG MET 23 -13.753 0.952 -4.361 183 1HE MET 23 1HE MET 23 -14.037 -0.793 -7.772 184 2HE MET 23 2HE MET 23 -12.536 0.158 -7.846 185 3HE MET 23 3HE MET 23 -12.471 -1.618 -7.898 186 H THR 24 H THR 24 -17.861 2.698 -4.269 187 HA THR 24 HA THR 24 -18.797 2.497 -2.273 188 HB THR 24 HB THR 24 -20.890 1.136 -3.954 189 HG1 THR 24 HG1 THR 24 -20.400 3.269 -4.505 190 1HG2 THR 24 1HG2 THR 24 -21.015 2.206 -1.094 191 2HG2 THR 24 2HG2 THR 24 -22.442 1.982 -2.123 192 3HG2 THR 24 3HG2 THR 24 -21.461 0.579 -1.656 193 H LEU 25 H LEU 25 -16.935 1.404 -1.630 194 HA LEU 25 HA LEU 25 -17.209 -1.426 -0.762 195 1HB LEU 25 1HB LEU 25 -15.227 0.578 0.317 196 2HB LEU 25 2HB LEU 25 -15.146 -1.145 0.422 197 HG LEU 25 HG LEU 25 -14.763 0.375 -2.197 198 1HD1 LEU 25 1HD1 LEU 25 -12.928 0.782 -0.559 199 2HD1 LEU 25 2HD1 LEU 25 -12.697 -0.970 -0.398 200 3HD1 LEU 25 3HD1 LEU 25 -12.395 -0.162 -1.958 201 1HD2 LEU 25 1HD2 LEU 25 -15.629 -1.978 -2.430 202 2HD2 LEU 25 2HD2 LEU 25 -14.004 -1.750 -3.094 203 3HD2 LEU 25 3HD2 LEU 25 -14.209 -2.534 -1.516 204 H THR 26 H THR 26 -16.874 -1.551 1.737 205 HA THR 26 HA THR 26 -19.078 -0.111 3.031 206 HB THR 26 HB THR 26 -18.302 -1.303 5.083 207 HG1 THR 26 HG1 THR 26 -16.039 -1.486 3.845 208 1HG2 THR 26 1HG2 THR 26 -19.881 -2.367 3.438 209 2HG2 THR 26 2HG2 THR 26 -18.487 -3.113 2.631 210 3HG2 THR 26 3HG2 THR 26 -18.863 -3.558 4.288 211 H ASP 27 H ASP 27 -18.882 1.371 4.845 212 HA ASP 27 HA ASP 27 -16.752 3.300 4.726 213 1HB ASP 27 1HB ASP 27 -19.158 3.516 5.592 214 2HB ASP 27 2HB ASP 27 -18.587 2.754 7.076 215 H ALA 28 H ALA 28 -17.143 0.288 6.456 216 HA ALA 28 HA ALA 28 -15.399 0.558 8.615 217 1HB ALA 28 1HB ALA 28 -16.949 -1.366 8.211 218 2HB ALA 28 2HB ALA 28 -15.297 -1.884 8.599 219 3HB ALA 28 3HB ALA 28 -15.862 -1.935 6.921 220 H ILE 29 H ILE 29 -14.526 0.308 5.232 221 HA ILE 29 HA ILE 29 -11.857 -0.706 5.414 222 HB ILE 29 HB ILE 29 -11.502 0.095 3.277 223 1HG1 ILE 29 1HG1 ILE 29 -13.604 1.363 2.191 224 2HG1 ILE 29 2HG1 ILE 29 -13.769 1.988 3.842 225 1HG2 ILE 29 1HG2 ILE 29 -12.959 -1.904 3.607 226 2HG2 ILE 29 2HG2 ILE 29 -14.382 -0.873 3.406 227 3HG2 ILE 29 3HG2 ILE 29 -13.231 -1.060 2.081 228 1HD1 ILE 29 1HD1 ILE 29 -11.235 2.447 3.689 229 2HD1 ILE 29 2HD1 ILE 29 -11.422 2.212 1.946 230 3HD1 ILE 29 3HD1 ILE 29 -12.314 3.522 2.778 231 H ASN 30 H ASN 30 -13.131 2.292 6.529 232 HA ASN 30 HA ASN 30 -10.818 3.917 6.534 233 1HB ASN 30 1HB ASN 30 -13.117 4.619 7.159 234 2HB ASN 30 2HB ASN 30 -13.056 3.592 8.587 235 1HD2 ASN 30 1HD2 ASN 30 -11.106 6.228 7.014 236 2HD2 ASN 30 2HD2 ASN 30 -10.547 6.871 8.542 237 H GLU 31 H GLU 31 -11.785 1.299 8.636 238 HA GLU 31 HA GLU 31 -9.305 1.591 10.329 239 1HB GLU 31 1HB GLU 31 -12.134 0.799 10.880 240 2HB GLU 31 2HB GLU 31 -10.855 0.038 11.820 241 1HG GLU 31 1HG GLU 31 -10.743 3.037 11.581 242 2HG GLU 31 2HG GLU 31 -12.041 2.355 12.557 243 H ASP 32 H ASP 32 -11.439 -0.748 8.668 244 HA ASP 32 HA ASP 32 -10.221 -3.142 9.301 245 1HB ASP 32 1HB ASP 32 -12.363 -2.687 8.044 246 2HB ASP 32 2HB ASP 32 -11.391 -2.380 6.602 247 H PHE 33 H PHE 33 -9.304 -0.830 6.782 248 HA PHE 33 HA PHE 33 -7.229 -2.298 5.517 249 1HB PHE 33 1HB PHE 33 -8.319 -0.308 4.581 250 2HB PHE 33 2HB PHE 33 -7.708 0.691 5.887 251 HD1 PHE 33 HD1 PHE 33 -5.435 1.529 5.920 252 HD2 PHE 33 HD2 PHE 33 -6.744 -1.158 2.806 253 HE1 PHE 33 HE1 PHE 33 -3.381 2.015 4.623 254 HE2 PHE 33 HE2 PHE 33 -4.681 -0.628 1.515 255 HZ PHE 33 HZ PHE 33 -2.956 0.904 2.496 256 H TYR 34 H TYR 34 -7.181 -0.006 8.209 257 HA TYR 34 HA TYR 34 -4.289 0.078 8.529 258 1HB TYR 34 1HB TYR 34 -6.539 0.924 10.373 259 2HB TYR 34 2HB TYR 34 -4.841 1.050 10.759 260 HD1 TYR 34 HD1 TYR 34 -3.896 3.304 10.445 261 HD2 TYR 34 HD2 TYR 34 -7.099 1.956 7.863 262 HE1 TYR 34 HE1 TYR 34 -3.948 5.483 9.347 263 HE2 TYR 34 HE2 TYR 34 -7.078 4.103 6.707 264 HH TYR 34 HH TYR 34 -5.256 6.913 7.927 265 H ASN 35 H ASN 35 -6.974 -1.731 9.972 266 HA ASN 35 HA ASN 35 -5.533 -3.197 11.890 267 1HB ASN 35 1HB ASN 35 -7.900 -4.290 10.334 268 2HB ASN 35 2HB ASN 35 -7.278 -4.875 11.865 269 1HD2 ASN 35 1HD2 ASN 35 -10.018 -4.014 11.480 270 2HD2 ASN 35 2HD2 ASN 35 -10.258 -2.577 12.440 271 H PHE 36 H PHE 36 -5.410 -3.640 8.411 272 HA PHE 36 HA PHE 36 -4.758 -6.340 8.228 273 1HB PHE 36 1HB PHE 36 -5.252 -4.724 6.382 274 2HB PHE 36 2HB PHE 36 -3.643 -4.050 6.598 275 HD1 PHE 36 HD1 PHE 36 -3.993 -7.765 6.732 276 HD2 PHE 36 HD2 PHE 36 -3.207 -4.342 4.232 277 HE1 PHE 36 HE1 PHE 36 -3.254 -9.252 4.908 278 HE2 PHE 36 HE2 PHE 36 -2.342 -5.839 2.473 279 HZ PHE 36 HZ PHE 36 -2.401 -8.313 2.796 280 H TRP 37 H TRP 37 -2.778 -3.682 9.408 281 HA TRP 37 HA TRP 37 -0.237 -5.021 9.083 282 1HB TRP 37 1HB TRP 37 -0.897 -2.730 10.947 283 2HB TRP 37 2HB TRP 37 0.660 -3.114 10.217 284 HD1 TRP 37 HD1 TRP 37 -0.487 -3.478 7.219 285 HE1 TRP 37 HE1 TRP 37 -1.276 -1.482 5.856 286 HE3 TRP 37 HE3 TRP 37 -1.311 -0.298 11.070 287 HZ2 TRP 37 HZ2 TRP 37 -2.178 1.211 6.406 288 HZ3 TRP 37 HZ3 TRP 37 -2.077 2.027 10.665 289 HH2 TRP 37 HH2 TRP 37 -2.444 2.831 8.385 290 H LYS 38 H LYS 38 -2.674 -4.862 11.623 291 HA LYS 38 HA LYS 38 -1.028 -5.325 13.904 292 1HB LYS 38 1HB LYS 38 -4.023 -5.794 13.364 293 2HB LYS 38 2HB LYS 38 -3.248 -5.994 14.949 294 1HG LYS 38 1HG LYS 38 -2.547 -3.705 15.027 295 2HG LYS 38 2HG LYS 38 -3.056 -3.390 13.370 296 1HD LYS 38 1HD LYS 38 -5.253 -3.145 13.907 297 2HD LYS 38 2HD LYS 38 -5.244 -4.383 15.155 298 1HE LYS 38 1HE LYS 38 -3.762 -1.752 15.513 299 2HE LYS 38 2HE LYS 38 -5.497 -1.843 15.800 300 1HZ LYS 38 1HZ LYS 38 -3.561 -3.639 17.110 301 2HZ LYS 38 2HZ LYS 38 -4.028 -2.237 17.762 302 3HZ LYS 38 3HZ LYS 38 -5.146 -3.440 17.504 303 H GLU 39 H GLU 39 0.151 -7.107 14.339 304 HA GLU 39 HA GLU 39 0.039 -9.272 12.595 305 1HB GLU 39 1HB GLU 39 1.386 -9.046 15.344 306 2HB GLU 39 2HB GLU 39 1.573 -10.391 14.222 307 1HG GLU 39 1HG GLU 39 3.406 -9.140 13.658 308 2HG GLU 39 2HG GLU 39 2.210 -8.650 12.456 309 H GLY 40 H GLY 40 -0.222 -11.459 13.006 310 1HA GLY 40 1HA GLY 40 -1.689 -12.611 15.187 311 2HA GLY 40 2HA GLY 40 -1.360 -13.385 13.628 312 H TYR 41 H TYR 41 -3.098 -10.408 13.267 313 HA TYR 41 HA TYR 41 -5.798 -11.356 13.183 314 1HB TYR 41 1HB TYR 41 -4.367 -9.002 13.284 315 2HB TYR 41 2HB TYR 41 -4.611 -9.079 11.584 316 HD1 TYR 41 HD1 TYR 41 -5.444 -7.459 14.300 317 HD2 TYR 41 HD2 TYR 41 -7.484 -9.635 11.213 318 HE1 TYR 41 HE1 TYR 41 -7.370 -5.999 14.612 319 HE2 TYR 41 HE2 TYR 41 -9.497 -8.182 11.528 320 HH TYR 41 HH TYR 41 -9.569 -5.504 13.919 321 H GLU 42 H GLU 42 -6.685 -12.346 11.207 322 HA GLU 42 HA GLU 42 -4.923 -12.352 8.843 323 1HB GLU 42 1HB GLU 42 -5.131 -14.590 9.894 324 2HB GLU 42 2HB GLU 42 -6.886 -14.564 9.565 325 1HG GLU 42 1HG GLU 42 -6.456 -14.268 7.174 326 2HG GLU 42 2HG GLU 42 -4.735 -13.999 7.533 327 H ILE 43 H ILE 43 -5.612 -10.775 7.667 328 HA ILE 43 HA ILE 43 -8.473 -10.127 7.377 329 HB ILE 43 HB ILE 43 -6.022 -8.608 6.513 330 1HG1 ILE 43 1HG1 ILE 43 -7.028 -7.020 8.265 331 2HG1 ILE 43 2HG1 ILE 43 -7.898 -8.363 8.920 332 1HG2 ILE 43 1HG2 ILE 43 -7.995 -8.236 5.097 333 2HG2 ILE 43 2HG2 ILE 43 -8.995 -7.898 6.534 334 3HG2 ILE 43 3HG2 ILE 43 -7.659 -6.812 6.101 335 1HD1 ILE 43 1HD1 ILE 43 -4.860 -8.425 8.648 336 2HD1 ILE 43 2HD1 ILE 43 -5.699 -7.694 10.031 337 3HD1 ILE 43 3HD1 ILE 43 -5.886 -9.417 9.677 338 H LYS 44 H LYS 44 -9.227 -11.705 5.817 339 HA LYS 44 HA LYS 44 -7.694 -11.946 3.300 340 1HB LYS 44 1HB LYS 44 -8.392 -14.123 3.081 341 2HB LYS 44 2HB LYS 44 -7.492 -13.920 4.584 342 1HG LYS 44 1HG LYS 44 -9.528 -14.053 5.880 343 2HG LYS 44 2HG LYS 44 -10.530 -13.911 4.428 344 1HD LYS 44 1HD LYS 44 -10.529 -16.231 5.104 345 2HD LYS 44 2HD LYS 44 -9.620 -16.089 3.591 346 1HE LYS 44 1HE LYS 44 -7.491 -15.923 4.929 347 2HE LYS 44 2HE LYS 44 -8.433 -16.152 6.402 348 1HZ LYS 44 1HZ LYS 44 -9.148 -18.313 5.432 349 2HZ LYS 44 2HZ LYS 44 -7.997 -18.138 4.271 350 3HZ LYS 44 3HZ LYS 44 -7.580 -18.207 5.878 351 H ASN 45 H ASN 45 -10.116 -10.210 4.365 352 HA ASN 45 HA ASN 45 -12.219 -11.113 2.543 353 1HB ASN 45 1HB ASN 45 -12.888 -10.049 4.662 354 2HB ASN 45 2HB ASN 45 -12.120 -8.545 4.165 355 1HD2 ASN 45 1HD2 ASN 45 -13.647 -7.092 3.135 356 2HD2 ASN 45 2HD2 ASN 45 -14.955 -7.750 2.076 357 H ARG 46 H ARG 46 -13.079 -9.628 0.977 358 HA ARG 46 HA ARG 46 -11.117 -9.339 -1.059 359 1HB ARG 46 1HB ARG 46 -13.953 -8.325 -1.314 360 2HB ARG 46 2HB ARG 46 -12.936 -9.055 -2.530 361 1HG ARG 46 1HG ARG 46 -13.209 -11.236 -1.471 362 2HG ARG 46 2HG ARG 46 -14.021 -10.556 -0.091 363 1HD ARG 46 1HD ARG 46 -15.912 -9.940 -1.142 364 2HD ARG 46 2HD ARG 46 -15.215 -10.113 -2.803 365 HE ARG 46 HE ARG 46 -14.875 -12.564 -1.646 366 1HH1 ARG 46 1HH1 ARG 46 -16.413 -14.349 -1.755 367 2HH1 ARG 46 2HH1 ARG 46 -18.023 -14.078 -2.311 368 1HH2 ARG 46 1HH2 ARG 46 -17.641 -10.575 -2.683 369 2HH2 ARG 46 2HH2 ARG 46 -18.794 -11.864 -2.661 370 H GLU 47 H GLU 47 -12.990 -7.026 0.924 371 HA GLU 47 HA GLU 47 -12.457 -4.786 -0.772 372 1HB GLU 47 1HB GLU 47 -13.580 -5.000 2.041 373 2HB GLU 47 2HB GLU 47 -13.457 -3.479 1.132 374 1HG GLU 47 1HG GLU 47 -14.849 -4.397 -0.675 375 2HG GLU 47 2HG GLU 47 -14.904 -5.958 0.105 376 H THR 48 H THR 48 -10.599 -6.252 1.843 377 HA THR 48 HA THR 48 -8.784 -4.130 2.340 378 HB THR 48 HB THR 48 -8.128 -7.081 2.142 379 HG1 THR 48 HG1 THR 48 -8.850 -6.593 4.563 380 1HG2 THR 48 1HG2 THR 48 -6.260 -5.511 2.659 381 2HG2 THR 48 2HG2 THR 48 -7.111 -4.988 4.113 382 3HG2 THR 48 3HG2 THR 48 -6.563 -6.665 3.948 383 H GLY 49 H GLY 49 -8.800 -6.782 -0.008 384 1HA GLY 49 1HA GLY 49 -8.167 -6.944 -2.144 385 2HA GLY 49 2HA GLY 49 -6.655 -6.115 -1.705 386 H CYS 50 H CYS 50 -10.171 -5.259 -2.112 387 HA CYS 50 HA CYS 50 -9.795 -3.611 -4.329 388 1HB CYS 50 1HB CYS 50 -11.852 -3.150 -2.158 389 2HB CYS 50 2HB CYS 50 -11.913 -2.621 -3.820 390 H ALA 51 H ALA 51 -9.542 -2.677 -0.846 391 HA ALA 51 HA ALA 51 -9.299 0.117 -1.413 392 1HB ALA 51 1HB ALA 51 -8.303 0.259 0.893 393 2HB ALA 51 2HB ALA 51 -8.344 -1.503 0.992 394 3HB ALA 51 3HB ALA 51 -9.865 -0.571 0.839 395 H ILE 52 H ILE 52 -6.765 -2.414 -0.794 396 HA ILE 52 HA ILE 52 -4.486 -0.815 -1.221 397 HB ILE 52 HB ILE 52 -5.047 -3.758 -1.690 398 1HG1 ILE 52 1HG1 ILE 52 -3.559 -2.400 0.598 399 2HG1 ILE 52 2HG1 ILE 52 -5.286 -2.709 0.668 400 1HG2 ILE 52 1HG2 ILE 52 -2.350 -2.329 -1.593 401 2HG2 ILE 52 2HG2 ILE 52 -2.576 -4.094 -1.566 402 3HG2 ILE 52 3HG2 ILE 52 -3.054 -3.187 -2.977 403 1HD1 ILE 52 1HD1 ILE 52 -4.858 -5.140 0.271 404 2HD1 ILE 52 2HD1 ILE 52 -3.123 -4.791 0.473 405 3HD1 ILE 52 3HD1 ILE 52 -4.249 -4.477 1.804 406 H MET 53 H MET 53 -6.364 -2.778 -3.531 407 HA MET 53 HA MET 53 -4.995 -2.262 -5.886 408 1HB MET 53 1HB MET 53 -6.666 -4.029 -5.360 409 2HB MET 53 2HB MET 53 -7.919 -2.836 -5.293 410 1HG MET 53 1HG MET 53 -6.785 -2.647 -7.807 411 2HG MET 53 2HG MET 53 -6.662 -4.355 -7.473 412 1HE MET 53 1HE MET 53 -8.663 -1.314 -7.519 413 2HE MET 53 2HE MET 53 -10.366 -1.740 -7.798 414 3HE MET 53 3HE MET 53 -9.656 -1.871 -6.163 415 H CYS 54 H CYS 54 -7.962 -0.521 -4.696 416 HA CYS 54 HA CYS 54 -7.928 1.418 -6.817 417 1HB CYS 54 1HB CYS 54 -9.949 0.981 -5.625 418 2HB CYS 54 2HB CYS 54 -9.208 1.328 -4.061 419 H LEU 55 H LEU 55 -6.385 1.290 -3.588 420 HA LEU 55 HA LEU 55 -5.503 4.015 -3.630 421 1HB LEU 55 1HB LEU 55 -4.569 1.536 -2.170 422 2HB LEU 55 2HB LEU 55 -3.692 3.045 -2.039 423 HG LEU 55 HG LEU 55 -6.639 2.823 -1.315 424 1HD1 LEU 55 1HD1 LEU 55 -4.102 2.584 0.353 425 2HD1 LEU 55 2HD1 LEU 55 -5.710 2.867 1.043 426 3HD1 LEU 55 3HD1 LEU 55 -5.375 1.371 0.149 427 1HD2 LEU 55 1HD2 LEU 55 -4.510 4.939 -0.833 428 2HD2 LEU 55 2HD2 LEU 55 -5.940 5.066 -1.881 429 3HD2 LEU 55 3HD2 LEU 55 -6.152 4.933 -0.126 430 H SER 56 H SER 56 -4.370 1.286 -5.508 431 HA SER 56 HA SER 56 -1.710 2.262 -5.818 432 1HB SER 56 1HB SER 56 -1.390 0.390 -7.006 433 2HB SER 56 2HB SER 56 -2.858 -0.127 -6.273 434 HG SER 56 HG SER 56 -2.503 -0.425 -8.515 435 H THR 57 H THR 57 -4.623 3.615 -6.817 436 HA THR 57 HA THR 57 -3.253 5.324 -8.833 437 HB THR 57 HB THR 57 -4.793 3.822 -9.936 438 HG1 THR 57 HG1 THR 57 -4.682 5.847 -10.829 439 1HG2 THR 57 1HG2 THR 57 -6.866 4.884 -7.996 440 2HG2 THR 57 2HG2 THR 57 -7.317 4.165 -9.548 441 3HG2 THR 57 3HG2 THR 57 -6.431 3.192 -8.382 442 H LYS 58 H LYS 58 -3.286 5.544 -5.971 443 HA LYS 58 HA LYS 58 -4.572 8.238 -5.756 444 1HB LYS 58 1HB LYS 58 -4.544 6.018 -3.658 445 2HB LYS 58 2HB LYS 58 -5.112 7.660 -3.375 446 1HG LYS 58 1HG LYS 58 -6.361 5.985 -5.520 447 2HG LYS 58 2HG LYS 58 -6.944 5.916 -3.853 448 1HD LYS 58 1HD LYS 58 -7.645 8.129 -3.911 449 2HD LYS 58 2HD LYS 58 -6.675 8.455 -5.386 450 1HE LYS 58 1HE LYS 58 -8.647 6.245 -5.586 451 2HE LYS 58 2HE LYS 58 -9.304 7.872 -5.483 452 1HZ LYS 58 1HZ LYS 58 -7.133 7.177 -7.388 453 2HZ LYS 58 2HZ LYS 58 -8.708 6.988 -7.799 454 3HZ LYS 58 3HZ LYS 58 -8.101 8.482 -7.426 455 H LEU 59 H LEU 59 -1.702 7.284 -6.263 456 HA LEU 59 HA LEU 59 -0.179 7.741 -3.862 457 1HB LEU 59 1HB LEU 59 0.799 8.485 -6.625 458 2HB LEU 59 2HB LEU 59 1.715 7.844 -5.283 459 HG LEU 59 HG LEU 59 -0.213 6.316 -7.090 460 1HD1 LEU 59 1HD1 LEU 59 1.948 6.948 -8.132 461 2HD1 LEU 59 2HD1 LEU 59 2.812 6.112 -6.826 462 3HD1 LEU 59 3HD1 LEU 59 1.767 5.204 -7.953 463 1HD2 LEU 59 1HD2 LEU 59 -0.161 5.348 -4.752 464 2HD2 LEU 59 2HD2 LEU 59 0.444 4.274 -6.013 465 3HD2 LEU 59 3HD2 LEU 59 1.592 5.119 -4.956 466 H ASN 60 H ASN 60 -1.661 9.885 -6.277 467 HA ASN 60 HA ASN 60 -0.380 12.293 -5.446 468 1HB ASN 60 1HB ASN 60 -2.099 13.392 -6.728 469 2HB ASN 60 2HB ASN 60 -1.570 11.973 -7.621 470 1HD2 ASN 60 1HD2 ASN 60 -4.236 13.597 -7.444 471 2HD2 ASN 60 2HD2 ASN 60 -5.409 12.280 -7.422 472 H MET 61 H MET 61 -3.187 10.566 -4.238 473 HA MET 61 HA MET 61 -4.091 12.745 -2.503 474 1HB MET 61 1HB MET 61 -4.800 9.791 -2.672 475 2HB MET 61 2HB MET 61 -5.600 10.934 -1.602 476 1HG MET 61 1HG MET 61 -5.441 11.205 -4.633 477 2HG MET 61 2HG MET 61 -6.781 10.446 -3.784 478 1HE MET 61 1HE MET 61 -8.005 11.528 -1.847 479 2HE MET 61 2HE MET 61 -7.008 12.815 -1.128 480 3HE MET 61 3HE MET 61 -8.576 13.201 -1.878 481 H LEU 62 H LEU 62 -1.723 10.117 -2.304 482 HA LEU 62 HA LEU 62 -1.526 10.265 0.606 483 1HB LEU 62 1HB LEU 62 0.125 8.823 -1.510 484 2HB LEU 62 2HB LEU 62 0.246 8.552 0.206 485 HG LEU 62 HG LEU 62 -2.302 8.121 -1.358 486 1HD1 LEU 62 1HD1 LEU 62 -0.608 6.678 -2.223 487 2HD1 LEU 62 2HD1 LEU 62 -0.250 6.043 -0.605 488 3HD1 LEU 62 3HD1 LEU 62 -1.841 5.765 -1.375 489 1HD2 LEU 62 1HD2 LEU 62 -1.454 7.190 1.392 490 2HD2 LEU 62 2HD2 LEU 62 -2.721 8.394 1.000 491 3HD2 LEU 62 3HD2 LEU 62 -2.933 6.695 0.537 492 H ASP 63 H ASP 63 0.652 10.797 -2.148 493 HA ASP 63 HA ASP 63 2.263 12.718 -0.538 494 1HB ASP 63 1HB ASP 63 3.578 10.830 -1.424 495 2HB ASP 63 2HB ASP 63 3.095 11.263 -3.066 496 HA PRO 64 HA PRO 64 0.120 15.501 -3.475 497 1HB PRO 64 1HB PRO 64 0.825 17.875 -2.239 498 2HB PRO 64 2HB PRO 64 -0.580 16.885 -1.719 499 1HG PRO 64 1HG PRO 64 2.172 17.120 -0.523 500 2HG PRO 64 2HG PRO 64 0.607 16.903 0.306 501 1HD PRO 64 1HD PRO 64 2.447 14.873 -0.192 502 2HD PRO 64 2HD PRO 64 0.704 14.595 0.059 503 H GLU 65 H GLU 65 3.410 15.585 -2.287 504 HA GLU 65 HA GLU 65 4.345 17.649 -3.989 505 1HB GLU 65 1HB GLU 65 5.850 15.554 -2.390 506 2HB GLU 65 2HB GLU 65 6.534 17.022 -3.120 507 1HG GLU 65 1HG GLU 65 4.691 18.285 -1.770 508 2HG GLU 65 2HG GLU 65 4.438 16.781 -0.926 509 H GLY 66 H GLY 66 3.631 14.406 -4.656 510 1HA GLY 66 1HA GLY 66 4.362 14.737 -7.433 511 2HA GLY 66 2HA GLY 66 3.602 13.318 -6.714 512 H ASN 67 H ASN 67 5.898 13.150 -4.693 513 HA ASN 67 HA ASN 67 8.319 12.605 -6.214 514 1HB ASN 67 1HB ASN 67 7.426 12.039 -3.357 515 2HB ASN 67 2HB ASN 67 8.941 11.438 -3.990 516 1HD2 ASN 67 1HD2 ASN 67 7.087 14.330 -3.413 517 2HD2 ASN 67 2HD2 ASN 67 8.438 15.462 -3.265 518 H LEU 68 H LEU 68 5.588 10.848 -4.873 519 HA LEU 68 HA LEU 68 6.732 8.221 -5.293 520 1HB LEU 68 1HB LEU 68 5.405 8.864 -3.338 521 2HB LEU 68 2HB LEU 68 3.987 9.157 -4.339 522 HG LEU 68 HG LEU 68 3.724 6.811 -4.817 523 1HD1 LEU 68 1HD1 LEU 68 6.462 6.411 -3.579 524 2HD1 LEU 68 2HD1 LEU 68 5.309 5.094 -3.857 525 3HD1 LEU 68 3HD1 LEU 68 5.933 6.008 -5.231 526 1HD2 LEU 68 1HD2 LEU 68 4.466 7.385 -1.919 527 2HD2 LEU 68 2HD2 LEU 68 2.855 7.433 -2.678 528 3HD2 LEU 68 3HD2 LEU 68 3.728 5.884 -2.434 529 H HIS 69 H HIS 69 7.050 7.974 -7.505 530 HA HIS 69 HA HIS 69 4.725 8.180 -9.339 531 1HB HIS 69 1HB HIS 69 7.634 7.639 -9.732 532 2HB HIS 69 2HB HIS 69 6.572 7.605 -11.069 533 HD1 HIS 69 HD1 HIS 69 5.014 10.279 -10.942 534 HD2 HIS 69 HD2 HIS 69 8.954 9.840 -9.522 535 HE1 HIS 69 HE1 HIS 69 5.985 12.612 -10.781 536 H HIS 70 H HIS 70 4.522 6.486 -10.789 537 HA HIS 70 HA HIS 70 4.005 4.005 -9.351 538 1HB HIS 70 1HB HIS 70 2.440 5.186 -10.981 539 2HB HIS 70 2HB HIS 70 3.421 4.508 -12.268 540 HD1 HIS 70 HD1 HIS 70 3.361 1.451 -12.051 541 HD2 HIS 70 HD2 HIS 70 0.499 3.874 -10.118 542 HE1 HIS 70 HE1 HIS 70 1.392 -0.005 -11.608 543 H GLY 71 H GLY 71 5.355 2.235 -9.412 544 1HA GLY 71 1HA GLY 71 7.091 1.462 -11.517 545 2HA GLY 71 2HA GLY 71 7.147 0.909 -9.841 546 H ASN 72 H ASN 72 7.418 4.100 -9.321 547 HA ASN 72 HA ASN 72 10.354 3.996 -9.274 548 1HB ASN 72 1HB ASN 72 9.763 5.099 -11.480 549 2HB ASN 72 2HB ASN 72 8.926 6.314 -10.605 550 1HD2 ASN 72 1HD2 ASN 72 10.678 7.502 -11.926 551 2HD2 ASN 72 2HD2 ASN 72 12.143 7.926 -11.056 552 H ALA 73 H ALA 73 9.257 3.534 -7.109 553 HA ALA 73 HA ALA 73 8.356 5.944 -5.681 554 1HB ALA 73 1HB ALA 73 7.932 4.267 -3.889 555 2HB ALA 73 2HB ALA 73 8.580 2.998 -4.941 556 3HB ALA 73 3HB ALA 73 7.118 3.863 -5.412 557 H MET 74 H MET 74 11.457 5.248 -6.578 558 HA MET 74 HA MET 74 12.600 4.259 -4.125 559 1HB MET 74 1HB MET 74 13.813 5.345 -6.726 560 2HB MET 74 2HB MET 74 14.728 4.630 -5.402 561 1HG MET 74 1HG MET 74 13.388 2.529 -5.674 562 2HG MET 74 2HG MET 74 12.682 3.216 -7.139 563 1HE MET 74 1HE MET 74 14.576 0.492 -6.487 564 2HE MET 74 2HE MET 74 13.709 0.726 -8.023 565 3HE MET 74 3HE MET 74 15.454 0.379 -8.028 566 H GLU 75 H GLU 75 12.373 7.427 -5.784 567 HA GLU 75 HA GLU 75 14.317 8.669 -3.959 568 1HB GLU 75 1HB GLU 75 12.368 9.762 -6.017 569 2HB GLU 75 2HB GLU 75 13.359 10.785 -5.016 570 1HG GLU 75 1HG GLU 75 14.431 8.669 -6.922 571 2HG GLU 75 2HG GLU 75 14.321 10.392 -7.284 572 H PHE 76 H PHE 76 10.854 8.193 -4.045 573 HA PHE 76 HA PHE 76 10.235 9.819 -1.702 574 1HB PHE 76 1HB PHE 76 8.345 9.294 -2.956 575 2HB PHE 76 2HB PHE 76 8.846 7.663 -3.287 576 HD1 PHE 76 HD1 PHE 76 8.187 5.834 -1.911 577 HD2 PHE 76 HD2 PHE 76 7.538 9.883 -0.568 578 HE1 PHE 76 HE1 PHE 76 6.648 5.000 -0.129 579 HE2 PHE 76 HE2 PHE 76 6.052 9.030 1.239 580 HZ PHE 76 HZ PHE 76 5.599 6.608 1.441 581 H ALA 77 H ALA 77 10.837 6.253 -2.178 582 HA ALA 77 HA ALA 77 10.872 5.556 0.466 583 1HB ALA 77 1HB ALA 77 10.959 4.096 -1.620 584 2HB ALA 77 2HB ALA 77 11.909 3.528 -0.268 585 3HB ALA 77 3HB ALA 77 12.718 4.336 -1.626 586 H LYS 78 H LYS 78 13.717 6.737 -1.362 587 HA LYS 78 HA LYS 78 15.613 6.630 0.689 588 1HB LYS 78 1HB LYS 78 15.265 8.318 -1.793 589 2HB LYS 78 2HB LYS 78 16.500 8.797 -0.626 590 1HG LYS 78 1HG LYS 78 17.375 6.442 -0.634 591 2HG LYS 78 2HG LYS 78 16.286 6.096 -2.003 592 1HD LYS 78 1HD LYS 78 17.403 7.788 -3.337 593 2HD LYS 78 2HD LYS 78 18.372 8.319 -1.946 594 1HE LYS 78 1HE LYS 78 19.383 6.089 -1.754 595 2HE LYS 78 2HE LYS 78 18.433 5.514 -3.142 596 1HZ LYS 78 1HZ LYS 78 20.235 7.828 -3.339 597 2HZ LYS 78 2HZ LYS 78 20.782 6.294 -3.561 598 3HZ LYS 78 3HZ LYS 78 19.623 6.956 -4.556 599 H LYS 79 H LYS 79 12.959 8.874 0.524 600 HA LYS 79 HA LYS 79 14.109 10.817 2.346 601 1HB LYS 79 1HB LYS 79 11.260 10.248 1.487 602 2HB LYS 79 2HB LYS 79 11.712 11.547 2.544 603 1HG LYS 79 1HG LYS 79 13.488 12.236 0.793 604 2HG LYS 79 2HG LYS 79 12.762 11.029 -0.264 605 1HD LYS 79 1HD LYS 79 10.566 12.366 0.028 606 2HD LYS 79 2HD LYS 79 11.644 13.601 0.756 607 1HE LYS 79 1HE LYS 79 13.137 13.203 -1.377 608 2HE LYS 79 2HE LYS 79 11.745 12.361 -2.045 609 1HZ LYS 79 1HZ LYS 79 10.556 14.560 -1.471 610 2HZ LYS 79 2HZ LYS 79 12.087 15.197 -1.489 611 3HZ LYS 79 3HZ LYS 79 11.480 14.421 -2.824 612 H HIS 80 H HIS 80 12.619 7.651 2.779 613 HA HIS 80 HA HIS 80 12.221 8.238 5.649 614 1HB HIS 80 1HB HIS 80 11.431 5.780 4.144 615 2HB HIS 80 2HB HIS 80 10.845 6.303 5.719 616 HD1 HIS 80 HD1 HIS 80 8.764 8.219 5.608 617 HD2 HIS 80 HD2 HIS 80 10.672 7.267 1.975 618 HE1 HIS 80 HE1 HIS 80 7.499 9.389 3.731 619 H GLY 81 H GLY 81 14.350 7.049 3.440 620 1HA GLY 81 1HA GLY 81 15.997 5.607 5.460 621 2HA GLY 81 2HA GLY 81 16.669 6.847 4.375 622 H ALA 82 H ALA 82 14.335 4.791 2.904 623 HA ALA 82 HA ALA 82 15.985 2.448 2.583 624 1HB ALA 82 1HB ALA 82 14.285 1.801 0.835 625 2HB ALA 82 2HB ALA 82 13.576 2.272 2.402 626 3HB ALA 82 3HB ALA 82 13.572 3.408 1.040 627 H ASP 83 H ASP 83 17.856 2.214 1.246 628 HA ASP 83 HA ASP 83 18.425 4.182 -0.800 629 1HB ASP 83 1HB ASP 83 20.346 2.603 -1.293 630 2HB ASP 83 2HB ASP 83 20.346 3.398 0.226 631 H GLU 84 H GLU 84 19.392 2.845 -2.925 632 HA GLU 84 HA GLU 84 16.914 2.358 -4.347 633 1HB GLU 84 1HB GLU 84 19.747 1.870 -5.324 634 2HB GLU 84 2HB GLU 84 18.284 2.116 -6.308 635 1HG GLU 84 1HG GLU 84 18.146 4.409 -5.106 636 2HG GLU 84 2HG GLU 84 19.794 4.063 -4.569 637 H THR 85 H THR 85 19.648 0.382 -3.261 638 HA THR 85 HA THR 85 18.642 -2.100 -4.294 639 HB THR 85 HB THR 85 20.302 -1.784 -1.749 640 HG1 THR 85 HG1 THR 85 22.068 -1.963 -3.062 641 1HG2 THR 85 1HG2 THR 85 20.093 -4.055 -3.773 642 2HG2 THR 85 2HG2 THR 85 21.228 -4.002 -2.405 643 3HG2 THR 85 3HG2 THR 85 19.485 -4.088 -2.106 644 H MET 86 H MET 86 17.968 -0.405 -1.149 645 HA MET 86 HA MET 86 16.413 -2.480 0.022 646 1HB MET 86 1HB MET 86 16.697 0.518 0.312 647 2HB MET 86 2HB MET 86 15.385 -0.279 1.114 648 1HG MET 86 1HG MET 86 16.941 -1.726 2.321 649 2HG MET 86 2HG MET 86 18.279 -1.038 1.395 650 1HE MET 86 1HE MET 86 19.842 -0.369 3.124 651 2HE MET 86 2HE MET 86 19.502 0.682 4.512 652 3HE MET 86 3HE MET 86 18.897 -0.988 4.501 653 H ALA 87 H ALA 87 15.452 0.357 -2.027 654 HA ALA 87 HA ALA 87 12.681 -0.407 -2.112 655 1HB ALA 87 1HB ALA 87 13.429 1.820 -2.778 656 2HB ALA 87 2HB ALA 87 14.372 1.136 -4.131 657 3HB ALA 87 3HB ALA 87 12.589 1.022 -4.111 658 H GLN 88 H GLN 88 15.390 -1.120 -4.395 659 HA GLN 88 HA GLN 88 13.844 -2.558 -6.214 660 1HB GLN 88 1HB GLN 88 16.138 -1.584 -6.549 661 2HB GLN 88 2HB GLN 88 16.789 -2.958 -5.670 662 1HG GLN 88 1HG GLN 88 16.952 -3.250 -8.111 663 2HG GLN 88 2HG GLN 88 15.950 -4.495 -7.376 664 1HE2 GLN 88 1HE2 GLN 88 14.606 -5.029 -9.028 665 2HE2 GLN 88 2HE2 GLN 88 13.566 -3.933 -9.935 666 H GLN 89 H GLN 89 15.344 -3.701 -3.230 667 HA GLN 89 HA GLN 89 14.945 -6.508 -3.449 668 1HB GLN 89 1HB GLN 89 15.191 -4.456 -1.262 669 2HB GLN 89 2HB GLN 89 14.627 -6.013 -0.790 670 1HG GLN 89 1HG GLN 89 17.082 -5.819 -2.542 671 2HG GLN 89 2HG GLN 89 17.201 -5.357 -0.854 672 1HE2 GLN 89 1HE2 GLN 89 18.079 -6.927 0.219 673 2HE2 GLN 89 2HE2 GLN 89 17.694 -8.657 0.171 674 H LEU 90 H LEU 90 12.756 -3.859 -2.457 675 HA LEU 90 HA LEU 90 10.576 -5.633 -1.671 676 1HB LEU 90 1HB LEU 90 10.785 -2.622 -2.125 677 2HB LEU 90 2HB LEU 90 9.379 -3.426 -1.510 678 HG LEU 90 HG LEU 90 12.090 -3.443 -0.145 679 1HD1 LEU 90 1HD1 LEU 90 9.584 -1.827 0.457 680 2HD1 LEU 90 2HD1 LEU 90 11.019 -1.913 1.511 681 3HD1 LEU 90 3HD1 LEU 90 11.137 -1.215 -0.111 682 1HD2 LEU 90 1HD2 LEU 90 10.617 -5.443 0.421 683 2HD2 LEU 90 2HD2 LEU 90 11.110 -4.432 1.768 684 3HD2 LEU 90 3HD2 LEU 90 9.477 -4.272 1.117 685 H ILE 91 H ILE 91 11.434 -3.616 -4.449 686 HA ILE 91 HA ILE 91 9.033 -3.985 -5.933 687 HB ILE 91 HB ILE 91 11.933 -3.336 -6.521 688 1HG1 ILE 91 1HG1 ILE 91 9.578 -1.463 -6.864 689 2HG1 ILE 91 2HG1 ILE 91 10.202 -1.780 -5.262 690 1HG2 ILE 91 1HG2 ILE 91 9.773 -3.473 -8.615 691 2HG2 ILE 91 2HG2 ILE 91 11.291 -2.582 -8.800 692 3HG2 ILE 91 3HG2 ILE 91 11.305 -4.350 -8.526 693 1HD1 ILE 91 1HD1 ILE 91 11.838 -0.643 -7.545 694 2HD1 ILE 91 2HD1 ILE 91 11.123 0.247 -6.171 695 3HD1 ILE 91 3HD1 ILE 91 12.369 -0.942 -5.875 696 H ASP 92 H ASP 92 12.072 -5.903 -5.768 697 HA ASP 92 HA ASP 92 11.423 -7.858 -7.705 698 1HB ASP 92 1HB ASP 92 13.564 -7.516 -6.138 699 2HB ASP 92 2HB ASP 92 12.796 -8.680 -5.118 700 H ILE 93 H ILE 93 10.866 -7.847 -4.243 701 HA ILE 93 HA ILE 93 9.168 -10.089 -4.002 702 HB ILE 93 HB ILE 93 9.211 -7.450 -2.417 703 1HG1 ILE 93 1HG1 ILE 93 10.153 -10.232 -1.844 704 2HG1 ILE 93 2HG1 ILE 93 11.204 -8.988 -2.420 705 1HG2 ILE 93 1HG2 ILE 93 7.457 -9.845 -2.033 706 2HG2 ILE 93 2HG2 ILE 93 7.881 -8.719 -0.734 707 3HG2 ILE 93 3HG2 ILE 93 7.009 -8.140 -2.136 708 1HD1 ILE 93 1HD1 ILE 93 9.727 -8.768 0.232 709 2HD1 ILE 93 2HD1 ILE 93 11.388 -9.270 0.035 710 3HD1 ILE 93 3HD1 ILE 93 10.913 -7.626 -0.440 711 H VAL 94 H VAL 94 8.131 -6.676 -4.763 712 HA VAL 94 HA VAL 94 5.435 -7.359 -4.740 713 HB VAL 94 HB VAL 94 6.944 -5.118 -6.036 714 1HG1 VAL 94 1HG1 VAL 94 4.202 -5.786 -6.880 715 2HG1 VAL 94 2HG1 VAL 94 4.339 -4.174 -6.129 716 3HG1 VAL 94 3HG1 VAL 94 5.375 -4.617 -7.473 717 1HG2 VAL 94 1HG2 VAL 94 6.621 -5.127 -3.561 718 2HG2 VAL 94 2HG2 VAL 94 5.726 -3.813 -4.304 719 3HG2 VAL 94 3HG2 VAL 94 4.868 -5.248 -3.748 720 H HIS 95 H HIS 95 7.692 -7.426 -7.492 721 HA HIS 95 HA HIS 95 5.600 -8.477 -9.246 722 1HB HIS 95 1HB HIS 95 8.600 -8.164 -9.596 723 2HB HIS 95 2HB HIS 95 7.418 -8.481 -10.882 724 HD1 HIS 95 HD1 HIS 95 9.208 -5.747 -10.705 725 HD2 HIS 95 HD2 HIS 95 5.282 -6.237 -9.295 726 HE1 HIS 95 HE1 HIS 95 8.101 -3.438 -10.724 727 H GLY 96 H GLY 96 7.963 -9.838 -7.068 728 1HA GLY 96 1HA GLY 96 8.234 -11.936 -6.298 729 2HA GLY 96 2HA GLY 96 7.908 -12.556 -7.947 730 H CYS 97 H CYS 97 5.779 -10.603 -6.047 731 HA CYS 97 HA CYS 97 4.168 -12.894 -5.115 732 1HB CYS 97 1HB CYS 97 4.278 -9.949 -4.450 733 2HB CYS 97 2HB CYS 97 2.967 -10.957 -3.869 734 H GLU 98 H GLU 98 3.896 -10.253 -7.441 735 HA GLU 98 HA GLU 98 1.172 -10.502 -8.056 736 1HB GLU 98 1HB GLU 98 3.622 -10.091 -9.786 737 2HB GLU 98 2HB GLU 98 2.033 -10.186 -10.517 738 1HG GLU 98 1HG GLU 98 1.321 -8.254 -9.064 739 2HG GLU 98 2HG GLU 98 2.953 -8.098 -8.535 740 H LYS 99 H LYS 99 4.026 -12.460 -9.030 741 HA LYS 99 HA LYS 99 2.575 -14.437 -10.534 742 1HB LYS 99 1HB LYS 99 5.399 -14.171 -9.458 743 2HB LYS 99 2HB LYS 99 4.833 -15.726 -10.030 744 1HG LYS 99 1HG LYS 99 5.343 -15.167 -12.107 745 2HG LYS 99 2HG LYS 99 4.009 -14.010 -12.052 746 1HD LYS 99 1HD LYS 99 6.002 -12.929 -12.886 747 2HD LYS 99 2HD LYS 99 5.514 -12.249 -11.333 748 1HE LYS 99 1HE LYS 99 7.228 -13.921 -10.280 749 2HE LYS 99 2HE LYS 99 7.796 -14.198 -11.932 750 1HZ LYS 99 1HZ LYS 99 7.739 -11.591 -10.546 751 2HZ LYS 99 2HZ LYS 99 9.085 -12.498 -10.751 752 3HZ LYS 99 3HZ LYS 99 8.318 -11.828 -12.048 753 H SER 100 H SER 100 4.131 -14.633 -7.231 754 HA SER 100 HA SER 100 3.278 -17.326 -7.080 755 1HB SER 100 1HB SER 100 4.392 -17.410 -5.038 756 2HB SER 100 2HB SER 100 5.299 -16.311 -6.087 757 HG SER 100 HG SER 100 4.098 -15.895 -3.702 758 H THR 101 H THR 101 1.504 -14.497 -6.398 759 HA THR 101 HA THR 101 -0.574 -15.845 -4.840 760 HB THR 101 HB THR 101 -0.585 -13.223 -6.390 761 HG1 THR 101 HG1 THR 101 0.731 -12.978 -4.768 762 1HG2 THR 101 1HG2 THR 101 -2.582 -14.410 -4.411 763 2HG2 THR 101 2HG2 THR 101 -2.568 -12.720 -4.957 764 3HG2 THR 101 3HG2 THR 101 -2.869 -14.018 -6.110 765 HA PRO 102 HA PRO 102 -1.791 -17.834 -8.734 766 1HB PRO 102 1HB PRO 102 -4.204 -18.899 -7.957 767 2HB PRO 102 2HB PRO 102 -2.612 -19.594 -7.510 768 1HG PRO 102 1HG PRO 102 -4.345 -17.731 -5.868 769 2HG PRO 102 2HG PRO 102 -3.568 -19.260 -5.342 770 1HD PRO 102 1HD PRO 102 -2.537 -16.784 -4.867 771 2HD PRO 102 2HD PRO 102 -1.468 -18.176 -5.189 772 H ALA 103 H ALA 103 -3.381 -17.380 -10.396 773 HA ALA 103 HA ALA 103 -3.860 -14.534 -10.431 774 1HB ALA 103 1HB ALA 103 -4.297 -16.726 -12.480 775 2HB ALA 103 2HB ALA 103 -2.866 -15.674 -12.335 776 3HB ALA 103 3HB ALA 103 -4.447 -14.998 -12.799 777 H ASN 104 H ASN 104 -5.512 -14.541 -8.718 778 HA ASN 104 HA ASN 104 -8.056 -15.727 -9.073 779 1HB ASN 104 1HB ASN 104 -7.116 -14.495 -6.990 780 2HB ASN 104 2HB ASN 104 -7.787 -13.045 -7.701 781 1HD2 ASN 104 1HD2 ASN 104 -8.505 -15.234 -5.407 782 2HD2 ASN 104 2HD2 ASN 104 -10.259 -15.193 -5.571 783 H ASP 105 H ASP 105 -9.712 -15.287 -10.336 784 HA ASP 105 HA ASP 105 -9.945 -13.458 -12.381 785 1HB ASP 105 1HB ASP 105 -11.175 -15.558 -12.102 786 2HB ASP 105 2HB ASP 105 -12.020 -14.916 -10.704 787 H ASP 106 H ASP 106 -10.240 -12.873 -9.026 788 HA ASP 106 HA ASP 106 -11.737 -10.301 -9.462 789 1HB ASP 106 1HB ASP 106 -12.533 -11.971 -7.603 790 2HB ASP 106 2HB ASP 106 -11.076 -11.574 -6.795 791 H LYS 107 H LYS 107 -10.174 -8.625 -9.920 792 HA LYS 107 HA LYS 107 -7.486 -8.935 -9.188 793 1HB LYS 107 1HB LYS 107 -9.132 -6.991 -10.576 794 2HB LYS 107 2HB LYS 107 -8.233 -6.164 -9.343 795 1HG LYS 107 1HG LYS 107 -6.687 -6.077 -11.057 796 2HG LYS 107 2HG LYS 107 -6.161 -7.556 -10.261 797 1HD LYS 107 1HD LYS 107 -6.250 -8.112 -12.553 798 2HD LYS 107 2HD LYS 107 -7.748 -8.786 -11.922 799 1HE LYS 107 1HE LYS 107 -9.013 -6.825 -12.709 800 2HE LYS 107 2HE LYS 107 -7.519 -6.027 -13.218 801 1HZ LYS 107 1HZ LYS 107 -8.408 -8.589 -14.381 802 2HZ LYS 107 2HZ LYS 107 -8.817 -7.110 -15.008 803 3HZ LYS 107 3HZ LYS 107 -7.262 -7.563 -14.960 804 H CYS 108 H CYS 108 -10.306 -7.732 -7.356 805 HA CYS 108 HA CYS 108 -8.832 -6.377 -5.308 806 1HB CYS 108 1HB CYS 108 -11.472 -7.895 -5.213 807 2HB CYS 108 2HB CYS 108 -10.765 -7.050 -3.868 808 H ILE 109 H ILE 109 -10.149 -9.768 -5.303 809 HA ILE 109 HA ILE 109 -8.778 -10.478 -2.929 810 HB ILE 109 HB ILE 109 -10.034 -12.182 -5.147 811 1HG1 ILE 109 1HG1 ILE 109 -11.068 -11.308 -2.410 812 2HG1 ILE 109 2HG1 ILE 109 -11.560 -10.565 -3.904 813 1HG2 ILE 109 1HG2 ILE 109 -9.107 -12.945 -2.330 814 2HG2 ILE 109 2HG2 ILE 109 -10.046 -13.992 -3.426 815 3HG2 ILE 109 3HG2 ILE 109 -8.411 -13.496 -3.868 816 1HD1 ILE 109 1HD1 ILE 109 -12.393 -12.830 -4.702 817 2HD1 ILE 109 2HD1 ILE 109 -12.270 -13.320 -2.983 818 3HD1 ILE 109 3HD1 ILE 109 -13.297 -11.947 -3.466 819 H TRP 110 H TRP 110 -7.778 -10.911 -6.349 820 HA TRP 110 HA TRP 110 -5.283 -12.168 -5.887 821 1HB TRP 110 1HB TRP 110 -6.157 -11.747 -8.146 822 2HB TRP 110 2HB TRP 110 -5.983 -10.029 -7.919 823 HD1 TRP 110 HD1 TRP 110 -3.819 -13.198 -8.140 824 HE1 TRP 110 HE1 TRP 110 -1.503 -12.603 -9.132 825 HE3 TRP 110 HE3 TRP 110 -4.374 -8.132 -8.430 826 HZ2 TRP 110 HZ2 TRP 110 -0.117 -10.199 -10.022 827 HZ3 TRP 110 HZ3 TRP 110 -2.569 -6.720 -9.317 828 HH2 TRP 110 HH2 TRP 110 -0.465 -7.724 -10.121 829 H THR 111 H THR 111 -5.867 -8.582 -6.054 830 HA THR 111 HA THR 111 -3.345 -7.776 -5.287 831 HB THR 111 HB THR 111 -6.038 -6.435 -4.926 832 HG1 THR 111 HG1 THR 111 -5.794 -6.801 -6.984 833 1HG2 THR 111 1HG2 THR 111 -3.257 -5.302 -4.671 834 2HG2 THR 111 2HG2 THR 111 -4.539 -4.342 -5.432 835 3HG2 THR 111 3HG2 THR 111 -4.745 -4.912 -3.770 836 H LEU 112 H LEU 112 -5.995 -8.894 -3.067 837 HA LEU 112 HA LEU 112 -4.691 -7.952 -0.690 838 1HB LEU 112 1HB LEU 112 -7.109 -8.446 -0.871 839 2HB LEU 112 2HB LEU 112 -6.782 -10.122 -1.195 840 HG LEU 112 HG LEU 112 -7.525 -9.357 1.159 841 1HD1 LEU 112 1HD1 LEU 112 -5.220 -11.237 0.680 842 2HD1 LEU 112 2HD1 LEU 112 -6.088 -11.129 2.210 843 3HD1 LEU 112 3HD1 LEU 112 -6.967 -11.581 0.719 844 1HD2 LEU 112 1HD2 LEU 112 -5.804 -7.540 1.419 845 2HD2 LEU 112 2HD2 LEU 112 -5.890 -8.699 2.762 846 3HD2 LEU 112 3HD2 LEU 112 -4.574 -8.803 1.598 847 H GLY 113 H GLY 113 -4.799 -11.037 -2.520 848 1HA GLY 113 1HA GLY 113 -3.347 -12.824 -2.573 849 2HA GLY 113 2HA GLY 113 -3.116 -12.599 -0.831 850 H VAL 114 H VAL 114 -2.335 -10.592 -3.694 851 HA VAL 114 HA VAL 114 0.435 -10.796 -3.856 852 HB VAL 114 HB VAL 114 -1.541 -8.609 -4.488 853 1HG1 VAL 114 1HG1 VAL 114 0.670 -7.572 -4.286 854 2HG1 VAL 114 2HG1 VAL 114 1.340 -8.816 -5.374 855 3HG1 VAL 114 3HG1 VAL 114 0.145 -7.640 -5.971 856 1HG2 VAL 114 1HG2 VAL 114 -1.756 -10.724 -5.827 857 2HG2 VAL 114 2HG2 VAL 114 -1.162 -9.386 -6.812 858 3HG2 VAL 114 3HG2 VAL 114 -0.043 -10.625 -6.229 859 H ALA 115 H ALA 115 -1.421 -8.218 -2.016 860 HA ALA 115 HA ALA 115 0.935 -7.239 -0.722 861 1HB ALA 115 1HB ALA 115 -1.137 -5.933 -1.023 862 2HB ALA 115 2HB ALA 115 -0.652 -5.984 0.681 863 3HB ALA 115 3HB ALA 115 -1.993 -7.005 0.112 864 H THR 116 H THR 116 -1.138 -9.955 0.197 865 HA THR 116 HA THR 116 -0.226 -10.111 2.955 866 HB THR 116 HB THR 116 -1.357 -12.277 1.132 867 HG1 THR 116 HG1 THR 116 -2.753 -10.517 1.322 868 1HG2 THR 116 1HG2 THR 116 -1.293 -12.104 4.166 869 2HG2 THR 116 2HG2 THR 116 -2.127 -13.348 3.209 870 3HG2 THR 116 3HG2 THR 116 -0.356 -13.231 3.163 871 H CYS 117 H CYS 117 0.712 -11.597 -0.163 872 HA CYS 117 HA CYS 117 2.937 -13.102 0.717 873 1HB CYS 117 1HB CYS 117 1.879 -13.456 -1.400 874 2HB CYS 117 2HB CYS 117 2.204 -11.823 -1.932 875 H PHE 118 H PHE 118 2.729 -9.538 -0.295 876 HA PHE 118 HA PHE 118 5.355 -9.040 -0.249 877 1HB PHE 118 1HB PHE 118 3.378 -7.467 -0.704 878 2HB PHE 118 2HB PHE 118 3.273 -7.183 0.974 879 HD1 PHE 118 HD1 PHE 118 6.674 -7.567 0.521 880 HD2 PHE 118 HD2 PHE 118 3.651 -4.816 -0.684 881 HE1 PHE 118 HE1 PHE 118 8.403 -5.874 0.065 882 HE2 PHE 118 HE2 PHE 118 5.389 -3.018 -0.820 883 HZ PHE 118 HZ PHE 118 7.675 -3.509 -0.429 884 H LYS 119 H LYS 119 3.337 -8.548 2.558 885 HA LYS 119 HA LYS 119 5.043 -8.017 4.630 886 1HB LYS 119 1HB LYS 119 2.399 -8.576 4.523 887 2HB LYS 119 2HB LYS 119 2.906 -10.094 5.151 888 1HG LYS 119 1HG LYS 119 4.163 -8.795 7.017 889 2HG LYS 119 2HG LYS 119 3.367 -7.347 6.380 890 1HD LYS 119 1HD LYS 119 1.159 -8.684 6.740 891 2HD LYS 119 2HD LYS 119 2.107 -9.756 7.743 892 1HE LYS 119 1HE LYS 119 2.694 -7.932 9.241 893 2HE LYS 119 2HE LYS 119 2.012 -6.722 8.131 894 1HZ LYS 119 1HZ LYS 119 0.424 -8.794 9.525 895 2HZ LYS 119 2HZ LYS 119 0.566 -7.250 10.034 896 3HZ LYS 119 3HZ LYS 119 -0.188 -7.594 8.601 897 H ALA 120 H ALA 120 4.085 -11.265 3.650 898 HA ALA 120 HA ALA 120 5.787 -12.744 5.367 899 1HB ALA 120 1HB ALA 120 5.384 -14.637 3.837 900 2HB ALA 120 2HB ALA 120 3.888 -13.724 4.124 901 3HB ALA 120 3HB ALA 120 4.772 -13.536 2.594 902 H GLU 121 H GLU 121 6.477 -11.625 1.974 903 HA GLU 121 HA GLU 121 9.115 -12.764 1.910 904 1HB GLU 121 1HB GLU 121 7.747 -10.495 0.449 905 2HB GLU 121 2HB GLU 121 9.421 -10.924 0.159 906 1HG GLU 121 1HG GLU 121 7.186 -12.947 -0.194 907 2HG GLU 121 2HG GLU 121 7.730 -11.825 -1.438 908 H ILE 122 H ILE 122 7.960 -9.422 2.919 909 HA ILE 122 HA ILE 122 10.498 -8.411 3.522 910 HB ILE 122 HB ILE 122 7.813 -7.882 4.844 911 1HG1 ILE 122 1HG1 ILE 122 9.364 -6.476 2.664 912 2HG1 ILE 122 2HG1 ILE 122 7.870 -7.349 2.488 913 1HG2 ILE 122 1HG2 ILE 122 9.617 -7.224 6.418 914 2HG2 ILE 122 2HG2 ILE 122 10.367 -6.253 5.135 915 3HG2 ILE 122 3HG2 ILE 122 8.767 -5.833 5.807 916 1HD1 ILE 122 1HD1 ILE 122 6.661 -5.752 3.894 917 2HD1 ILE 122 2HD1 ILE 122 8.129 -4.744 4.031 918 3HD1 ILE 122 3HD1 ILE 122 7.366 -4.970 2.477 919 H HIS 123 H HIS 123 8.480 -10.697 5.345 920 HA HIS 123 HA HIS 123 9.963 -10.667 7.731 921 1HB HIS 123 1HB HIS 123 7.698 -11.861 6.993 922 2HB HIS 123 2HB HIS 123 8.777 -13.236 6.747 923 HD1 HIS 123 HD1 HIS 123 8.428 -14.712 8.804 924 HD2 HIS 123 HD2 HIS 123 8.610 -10.591 9.651 925 HE1 HIS 123 HE1 HIS 123 8.205 -14.488 11.344 926 H LYS 124 H LYS 124 10.898 -11.904 4.591 927 HA LYS 124 HA LYS 124 13.044 -13.563 5.680 928 1HB LYS 124 1HB LYS 124 13.043 -14.702 3.831 929 2HB LYS 124 2HB LYS 124 11.502 -13.916 3.520 930 1HG LYS 124 1HG LYS 124 12.911 -12.060 2.478 931 2HG LYS 124 2HG LYS 124 14.245 -13.207 2.439 932 1HD LYS 124 1HD LYS 124 12.879 -14.811 1.159 933 2HD LYS 124 2HD LYS 124 11.538 -13.670 1.101 934 1HE LYS 124 1HE LYS 124 14.308 -13.137 -0.078 935 2HE LYS 124 2HE LYS 124 12.967 -13.859 -0.976 936 1HZ LYS 124 1HZ LYS 124 11.685 -11.937 -0.641 937 2HZ LYS 124 2HZ LYS 124 12.911 -11.156 0.206 938 3HZ LYS 124 3HZ LYS 124 13.050 -11.522 -1.383 939 H LEU 125 H LEU 125 12.689 -10.228 4.902 940 HA LEU 125 HA LEU 125 15.371 -9.856 3.837 941 1HB LEU 125 1HB LEU 125 13.315 -7.938 4.982 942 2HB LEU 125 2HB LEU 125 14.858 -7.384 4.456 943 HG LEU 125 HG LEU 125 13.059 -8.904 2.538 944 1HD1 LEU 125 1HD1 LEU 125 11.892 -6.829 3.375 945 2HD1 LEU 125 2HD1 LEU 125 13.250 -5.870 2.796 946 3HD1 LEU 125 3HD1 LEU 125 12.274 -6.811 1.648 947 1HD2 LEU 125 1HD2 LEU 125 15.505 -7.081 2.293 948 2HD2 LEU 125 2HD2 LEU 125 15.379 -8.784 1.850 949 3HD2 LEU 125 3HD2 LEU 125 14.521 -7.586 0.890 950 H ASN 126 H ASN 126 16.962 -8.570 4.880 951 HA ASN 126 HA ASN 126 17.318 -9.230 7.758 952 1HB ASN 126 1HB ASN 126 19.247 -9.504 6.125 953 2HB ASN 126 2HB ASN 126 19.313 -7.742 6.015 954 1HD2 ASN 126 1HD2 ASN 126 20.527 -6.719 7.631 955 2HD2 ASN 126 2HD2 ASN 126 20.860 -7.433 9.208 956 H TRP 127 H TRP 127 15.702 -6.814 6.112 957 HA TRP 127 HA TRP 127 16.092 -4.955 8.368 958 1HB TRP 127 1HB TRP 127 16.059 -3.020 6.960 959 2HB TRP 127 2HB TRP 127 17.396 -4.027 6.494 960 HD1 TRP 127 HD1 TRP 127 16.606 -5.777 4.297 961 HE1 TRP 127 HE1 TRP 127 15.482 -5.051 2.111 962 HE3 TRP 127 HE3 TRP 127 14.861 -1.157 5.725 963 HZ2 TRP 127 HZ2 TRP 127 13.797 -2.992 1.223 964 HZ3 TRP 127 HZ3 TRP 127 13.594 0.220 4.097 965 HH2 TRP 127 HH2 TRP 127 13.000 -0.692 1.861 966 H ALA 128 H ALA 128 14.302 -3.254 8.239 967 HA ALA 128 HA ALA 128 11.695 -4.609 7.759 968 1HB ALA 128 1HB ALA 128 12.582 -3.222 10.317 969 2HB ALA 128 2HB ALA 128 12.365 -4.974 10.094 970 3HB ALA 128 3HB ALA 128 10.973 -3.891 9.963 971 HA PRO 129 HA PRO 129 11.985 -0.509 5.655 972 1HB PRO 129 1HB PRO 129 9.373 -1.367 4.536 973 2HB PRO 129 2HB PRO 129 10.811 -0.769 3.678 974 1HG PRO 129 1HG PRO 129 10.066 -3.421 3.667 975 2HG PRO 129 2HG PRO 129 11.777 -2.923 3.634 976 1HD PRO 129 1HD PRO 129 10.182 -3.950 5.938 977 2HD PRO 129 2HD PRO 129 11.912 -4.201 5.531 978 H SER 130 H SER 130 10.948 1.480 6.144 979 HA SER 130 HA SER 130 9.106 1.708 8.259 980 1HB SER 130 1HB SER 130 9.064 3.673 6.004 981 2HB SER 130 2HB SER 130 9.112 3.971 7.735 982 HG SER 130 HG SER 130 11.194 4.340 7.358 983 H MET 131 H MET 131 6.799 1.887 8.195 984 HA MET 131 HA MET 131 5.537 0.281 6.205 985 1HB MET 131 1HB MET 131 4.868 1.600 8.718 986 2HB MET 131 2HB MET 131 3.638 1.986 7.524 987 1HG MET 131 1HG MET 131 4.362 -0.873 7.424 988 2HG MET 131 2HG MET 131 3.932 -0.360 9.050 989 1HE MET 131 1HE MET 131 2.108 1.749 8.998 990 2HE MET 131 2HE MET 131 0.482 1.300 8.511 991 3HE MET 131 3HE MET 131 1.325 0.358 9.769 992 H ASP 132 H ASP 132 5.983 3.811 6.507 993 HA ASP 132 HA ASP 132 4.219 4.653 4.486 994 1HB ASP 132 1HB ASP 132 6.924 5.754 5.312 995 2HB ASP 132 2HB ASP 132 5.780 6.588 4.251 996 H VAL 133 H VAL 133 7.544 3.359 4.299 997 HA VAL 133 HA VAL 133 7.806 3.612 1.445 998 HB VAL 133 HB VAL 133 9.329 1.941 3.496 999 1HG1 VAL 133 1HG1 VAL 133 9.957 2.453 0.567 1000 2HG1 VAL 133 2HG1 VAL 133 11.080 1.741 1.760 1001 3HG1 VAL 133 3HG1 VAL 133 9.601 0.890 1.313 1002 1HG2 VAL 133 1HG2 VAL 133 9.892 4.615 2.168 1003 2HG2 VAL 133 2HG2 VAL 133 9.619 4.326 3.888 1004 3HG2 VAL 133 3HG2 VAL 133 11.077 3.701 3.111 1005 H ALA 134 H ALA 134 7.382 0.613 3.495 1006 HA ALA 134 HA ALA 134 7.072 -0.975 1.182 1007 1HB ALA 134 1HB ALA 134 7.636 -1.932 3.365 1008 2HB ALA 134 2HB ALA 134 5.996 -1.561 3.972 1009 3HB ALA 134 3HB ALA 134 6.239 -2.729 2.653 1010 H VAL 135 H VAL 135 4.430 0.719 2.976 1011 HA VAL 135 HA VAL 135 2.467 -0.631 1.237 1012 HB VAL 135 HB VAL 135 1.965 1.700 3.123 1013 1HG1 VAL 135 1HG1 VAL 135 0.213 1.247 1.384 1014 2HG1 VAL 135 2HG1 VAL 135 0.134 -0.431 1.918 1015 3HG1 VAL 135 3HG1 VAL 135 -0.371 0.868 3.016 1016 1HG2 VAL 135 1HG2 VAL 135 1.776 -1.312 3.630 1017 2HG2 VAL 135 2HG2 VAL 135 2.840 -0.173 4.476 1018 3HG2 VAL 135 3HG2 VAL 135 1.093 -0.067 4.695 1019 H GLY 136 H GLY 136 4.278 2.491 1.372 1020 1HA GLY 136 1HA GLY 136 4.563 4.107 -0.138 1021 2HA GLY 136 2HA GLY 136 2.893 3.926 -0.596 1022 H GLU 137 H GLU 137 5.619 1.568 -0.879 1023 HA GLU 137 HA GLU 137 6.066 2.092 -3.652 1024 1HB GLU 137 1HB GLU 137 7.085 -0.180 -1.894 1025 2HB GLU 137 2HB GLU 137 7.629 0.226 -3.520 1026 1HG GLU 137 1HG GLU 137 7.970 2.665 -2.236 1027 2HG GLU 137 2HG GLU 137 8.159 1.585 -0.895 1028 H ILE 138 H ILE 138 4.501 -0.700 -1.917 1029 HA ILE 138 HA ILE 138 4.107 -2.102 -4.323 1030 HB ILE 138 HB ILE 138 3.853 -3.250 -2.267 1031 1HG1 ILE 138 1HG1 ILE 138 1.139 -3.347 -3.609 1032 2HG1 ILE 138 2HG1 ILE 138 2.605 -4.077 -4.256 1033 1HG2 ILE 138 1HG2 ILE 138 2.761 -1.342 -0.950 1034 2HG2 ILE 138 2HG2 ILE 138 1.223 -1.804 -1.686 1035 3HG2 ILE 138 3HG2 ILE 138 2.099 -2.926 -0.619 1036 1HD1 ILE 138 1HD1 ILE 138 1.404 -4.863 -1.565 1037 2HD1 ILE 138 2HD1 ILE 138 1.075 -5.681 -3.092 1038 3HD1 ILE 138 3HD1 ILE 138 2.711 -5.688 -2.450 1039 H LEU 139 H LEU 139 2.058 0.391 -2.833 1040 HA LEU 139 HA LEU 139 -0.183 0.149 -4.645 1041 1HB LEU 139 1HB LEU 139 1.029 2.519 -3.223 1042 2HB LEU 139 2HB LEU 139 -0.424 2.618 -4.109 1043 HG LEU 139 HG LEU 139 0.022 0.989 -1.559 1044 1HD1 LEU 139 1HD1 LEU 139 -1.440 3.556 -2.237 1045 2HD1 LEU 139 2HD1 LEU 139 -1.813 2.618 -0.782 1046 3HD1 LEU 139 3HD1 LEU 139 -0.185 3.287 -1.017 1047 1HD2 LEU 139 1HD2 LEU 139 -2.413 1.127 -3.288 1048 2HD2 LEU 139 2HD2 LEU 139 -1.472 -0.302 -2.846 1049 3HD2 LEU 139 3HD2 LEU 139 -2.407 0.531 -1.608 1050 H ALA 140 H ALA 140 2.834 1.995 -4.694 1051 HA ALA 140 HA ALA 140 2.363 3.207 -7.246 1052 1HB ALA 140 1HB ALA 140 4.086 4.033 -5.702 1053 2HB ALA 140 2HB ALA 140 5.040 2.550 -5.946 1054 3HB ALA 140 3HB ALA 140 4.769 3.647 -7.286 1055 H GLU 141 H GLU 141 2.860 -0.231 -6.669 1056 HA GLU 141 HA GLU 141 3.921 -0.489 -9.434 1057 1HB GLU 141 1HB GLU 141 4.319 -1.964 -6.836 1058 2HB GLU 141 2HB GLU 141 4.653 -2.714 -8.395 1059 1HG GLU 141 1HG GLU 141 6.298 -0.992 -8.962 1060 2HG GLU 141 2HG GLU 141 5.971 -0.130 -7.435 1061 H VAL 142 H VAL 142 1.358 -1.614 -7.260 1062 HA VAL 142 HA VAL 142 0.826 -3.921 -8.947 1063 HB VAL 142 HB VAL 142 0.066 -2.989 -6.202 1064 1HG1 VAL 142 1HG1 VAL 142 -1.469 -5.156 -7.665 1065 2HG1 VAL 142 2HG1 VAL 142 -1.391 -4.986 -5.897 1066 3HG1 VAL 142 3HG1 VAL 142 -2.104 -3.690 -6.858 1067 1HG2 VAL 142 1HG2 VAL 142 2.103 -4.312 -6.628 1068 2HG2 VAL 142 2HG2 VAL 142 0.944 -5.207 -5.611 1069 3HG2 VAL 142 3HG2 VAL 142 1.121 -5.623 -7.335 No H/Q in entry = 1069 Start of MODEL 10 1 H SER 1 H SER 1 11.522 18.288 20.076 2 HA SER 1 HA SER 1 9.258 19.987 19.223 3 1HB SER 1 1HB SER 1 10.090 17.238 18.205 4 2HB SER 1 2HB SER 1 8.573 18.056 17.805 5 HG SER 1 HG SER 1 9.696 18.694 16.199 6 H GLN 2 H GLN 2 7.543 19.848 20.611 7 HA GLN 2 HA GLN 2 7.281 17.414 22.263 8 1HB GLN 2 1HB GLN 2 5.474 18.471 23.365 9 2HB GLN 2 2HB GLN 2 6.849 19.562 23.344 10 1HG GLN 2 1HG GLN 2 5.734 20.740 21.353 11 2HG GLN 2 2HG GLN 2 4.304 19.748 21.686 12 1HE2 GLN 2 1HE2 GLN 2 5.586 22.777 22.283 13 2HE2 GLN 2 2HE2 GLN 2 4.759 23.088 23.805 14 H GLU 3 H GLU 3 4.989 16.481 22.239 15 HA GLU 3 HA GLU 3 3.626 15.086 21.162 16 1HB GLU 3 1HB GLU 3 2.957 17.777 20.103 17 2HB GLU 3 2HB GLU 3 1.951 16.347 19.812 18 1HG GLU 3 1HG GLU 3 2.074 15.990 22.394 19 2HG GLU 3 2HG GLU 3 2.623 17.675 22.465 20 H VAL 4 H VAL 4 5.413 13.957 20.228 21 HA VAL 4 HA VAL 4 5.292 13.871 17.255 22 HB VAL 4 HB VAL 4 7.742 13.383 19.007 23 1HG1 VAL 4 1HG1 VAL 4 7.755 11.936 16.989 24 2HG1 VAL 4 2HG1 VAL 4 7.499 13.357 15.963 25 3HG1 VAL 4 3HG1 VAL 4 8.993 13.184 16.903 26 1HG2 VAL 4 1HG2 VAL 4 7.030 15.700 17.169 27 2HG2 VAL 4 2HG2 VAL 4 7.409 15.748 18.897 28 3HG2 VAL 4 3HG2 VAL 4 8.682 15.360 17.735 29 H MET 5 H MET 5 3.399 12.546 18.076 30 HA MET 5 HA MET 5 4.293 9.730 18.269 31 1HB MET 5 1HB MET 5 2.671 9.290 19.977 32 2HB MET 5 2HB MET 5 3.557 10.743 20.461 33 1HG MET 5 1HG MET 5 1.687 12.163 19.693 34 2HG MET 5 2HG MET 5 0.819 10.742 19.139 35 1HE MET 5 1HE MET 5 -1.141 12.059 20.474 36 2HE MET 5 2HE MET 5 -1.340 10.295 20.454 37 3HE MET 5 3HE MET 5 -1.617 11.203 21.954 38 H LYS 6 H LYS 6 3.240 11.445 15.959 39 HA LYS 6 HA LYS 6 0.647 10.367 15.332 40 1HB LYS 6 1HB LYS 6 2.847 11.306 13.489 41 2HB LYS 6 2HB LYS 6 1.206 11.019 13.007 42 1HG LYS 6 1HG LYS 6 1.814 13.042 15.194 43 2HG LYS 6 2HG LYS 6 1.910 13.470 13.502 44 1HD LYS 6 1HD LYS 6 -0.433 12.684 13.158 45 2HD LYS 6 2HD LYS 6 -0.520 12.244 14.875 46 1HE LYS 6 1HE LYS 6 -0.208 14.601 15.510 47 2HE LYS 6 2HE LYS 6 -0.174 15.054 13.792 48 1HZ LYS 6 1HZ LYS 6 -2.455 13.701 15.123 49 2HZ LYS 6 2HZ LYS 6 -2.367 15.314 14.793 50 3HZ LYS 6 3HZ LYS 6 -2.396 14.212 13.565 51 H ASN 7 H ASN 7 0.232 8.890 13.862 52 HA ASN 7 HA ASN 7 2.145 6.669 13.320 53 1HB ASN 7 1HB ASN 7 0.585 5.603 14.776 54 2HB ASN 7 2HB ASN 7 -0.777 6.516 14.100 55 1HD2 ASN 7 1HD2 ASN 7 -2.009 5.514 12.556 56 2HD2 ASN 7 2HD2 ASN 7 -1.387 4.258 11.473 57 H LEU 8 H LEU 8 1.894 5.896 11.251 58 HA LEU 8 HA LEU 8 1.874 6.079 9.076 59 1HB LEU 8 1HB LEU 8 -0.082 4.885 9.544 60 2HB LEU 8 2HB LEU 8 -1.051 6.318 9.826 61 HG LEU 8 HG LEU 8 -1.441 5.053 7.715 62 1HD1 LEU 8 1HD1 LEU 8 -2.195 7.384 8.140 63 2HD1 LEU 8 2HD1 LEU 8 -0.742 7.959 7.275 64 3HD1 LEU 8 3HD1 LEU 8 -1.949 6.974 6.443 65 1HD2 LEU 8 1HD2 LEU 8 1.284 5.148 7.242 66 2HD2 LEU 8 2HD2 LEU 8 0.039 4.744 6.099 67 3HD2 LEU 8 3HD2 LEU 8 0.667 6.414 6.160 68 H SER 9 H SER 9 2.690 7.434 7.688 69 HA SER 9 HA SER 9 2.134 10.328 8.073 70 1HB SER 9 1HB SER 9 4.592 8.883 7.037 71 2HB SER 9 2HB SER 9 4.376 10.643 7.149 72 HG SER 9 HG SER 9 4.661 8.741 9.228 73 H LEU 10 H LEU 10 2.089 7.756 5.573 74 HA LEU 10 HA LEU 10 1.525 9.636 3.492 75 1HB LEU 10 1HB LEU 10 0.940 6.714 3.796 76 2HB LEU 10 2HB LEU 10 0.384 7.585 2.378 77 HG LEU 10 HG LEU 10 3.247 6.944 3.177 78 1HD1 LEU 10 1HD1 LEU 10 1.517 6.184 0.799 79 2HD1 LEU 10 2HD1 LEU 10 3.266 5.941 0.873 80 3HD1 LEU 10 3HD1 LEU 10 2.245 5.128 2.031 81 1HD2 LEU 10 1HD2 LEU 10 2.274 8.873 1.022 82 2HD2 LEU 10 2HD2 LEU 10 3.414 9.198 2.355 83 3HD2 LEU 10 3HD2 LEU 10 3.873 8.147 1.023 84 H ASN 11 H ASN 11 -0.515 10.443 2.531 85 HA ASN 11 HA ASN 11 -2.591 10.510 4.575 86 1HB ASN 11 1HB ASN 11 -2.011 12.484 3.046 87 2HB ASN 11 2HB ASN 11 -3.117 11.720 1.906 88 1HD2 ASN 11 1HD2 ASN 11 -3.539 14.287 3.257 89 2HD2 ASN 11 2HD2 ASN 11 -4.949 14.096 4.272 90 H PHE 12 H PHE 12 -2.568 7.956 4.259 91 HA PHE 12 HA PHE 12 -4.123 6.748 2.223 92 1HB PHE 12 1HB PHE 12 -3.414 6.031 5.069 93 2HB PHE 12 2HB PHE 12 -4.567 5.075 4.171 94 HD1 PHE 12 HD1 PHE 12 -1.079 5.884 4.624 95 HD2 PHE 12 HD2 PHE 12 -3.902 3.835 2.131 96 HE1 PHE 12 HE1 PHE 12 0.789 4.569 3.587 97 HE2 PHE 12 HE2 PHE 12 -2.032 2.553 1.081 98 HZ PHE 12 HZ PHE 12 0.314 3.002 1.743 99 H GLY 13 H GLY 13 -5.064 8.256 5.356 100 1HA GLY 13 1HA GLY 13 -7.128 8.998 6.060 101 2HA GLY 13 2HA GLY 13 -7.670 7.386 5.535 102 H LYS 14 H LYS 14 -6.632 10.423 3.869 103 HA LYS 14 HA LYS 14 -9.264 10.967 2.880 104 1HB LYS 14 1HB LYS 14 -6.483 11.975 2.314 105 2HB LYS 14 2HB LYS 14 -7.780 12.445 1.255 106 1HG LYS 14 1HG LYS 14 -7.820 12.794 4.298 107 2HG LYS 14 2HG LYS 14 -7.308 14.058 3.192 108 1HD LYS 14 1HD LYS 14 -9.995 12.913 2.546 109 2HD LYS 14 2HD LYS 14 -9.910 13.675 4.130 110 1HE LYS 14 1HE LYS 14 -8.918 15.011 1.581 111 2HE LYS 14 2HE LYS 14 -10.598 15.100 2.111 112 1HZ LYS 14 1HZ LYS 14 -9.899 16.105 4.145 113 2HZ LYS 14 2HZ LYS 14 -8.299 16.101 3.679 114 3HZ LYS 14 3HZ LYS 14 -9.430 16.994 2.865 115 H ALA 15 H ALA 15 -6.436 9.621 1.304 116 HA ALA 15 HA ALA 15 -7.495 9.074 -1.256 117 1HB ALA 15 1HB ALA 15 -5.685 7.171 0.308 118 2HB ALA 15 2HB ALA 15 -5.791 7.385 -1.454 119 3HB ALA 15 3HB ALA 15 -5.102 8.662 -0.422 120 H LEU 16 H LEU 16 -7.769 6.936 1.654 121 HA LEU 16 HA LEU 16 -9.382 4.880 0.478 122 1HB LEU 16 1HB LEU 16 -9.043 5.891 3.325 123 2HB LEU 16 2HB LEU 16 -10.099 4.557 2.922 124 HG LEU 16 HG LEU 16 -7.125 4.550 2.265 125 1HD1 LEU 16 1HD1 LEU 16 -7.622 4.673 4.747 126 2HD1 LEU 16 2HD1 LEU 16 -8.535 3.155 4.570 127 3HD1 LEU 16 3HD1 LEU 16 -6.806 3.187 4.211 128 1HD2 LEU 16 1HD2 LEU 16 -9.200 2.316 2.380 129 2HD2 LEU 16 2HD2 LEU 16 -8.338 2.886 0.937 130 3HD2 LEU 16 3HD2 LEU 16 -7.458 2.078 2.262 131 H ASP 17 H ASP 17 -10.161 7.900 2.253 132 HA ASP 17 HA ASP 17 -12.911 7.565 2.247 133 1HB ASP 17 1HB ASP 17 -11.670 9.159 3.663 134 2HB ASP 17 2HB ASP 17 -11.300 10.144 2.257 135 H GLU 18 H GLU 18 -10.867 8.547 -0.432 136 HA GLU 18 HA GLU 18 -13.319 9.131 -2.024 137 1HB GLU 18 1HB GLU 18 -10.349 9.547 -2.632 138 2HB GLU 18 2HB GLU 18 -11.685 9.755 -3.767 139 1HG GLU 18 1HG GLU 18 -12.851 11.316 -2.185 140 2HG GLU 18 2HG GLU 18 -11.394 11.244 -1.202 141 H CYS 19 H CYS 19 -10.850 6.684 -1.618 142 HA CYS 19 HA CYS 19 -11.532 5.217 -3.939 143 1HB CYS 19 1HB CYS 19 -9.919 4.737 -1.503 144 2HB CYS 19 2HB CYS 19 -10.568 3.294 -2.251 145 H LYS 20 H LYS 20 -13.206 5.069 -0.734 146 HA LYS 20 HA LYS 20 -14.340 2.596 -1.461 147 1HB LYS 20 1HB LYS 20 -14.935 2.693 0.741 148 2HB LYS 20 2HB LYS 20 -13.668 3.906 0.874 149 1HG LYS 20 1HG LYS 20 -16.478 4.522 0.256 150 2HG LYS 20 2HG LYS 20 -15.860 4.398 1.928 151 1HD LYS 20 1HD LYS 20 -14.488 6.367 0.219 152 2HD LYS 20 2HD LYS 20 -16.241 6.651 0.304 153 1HE LYS 20 1HE LYS 20 -14.348 6.394 2.710 154 2HE LYS 20 2HE LYS 20 -15.007 7.877 2.037 155 1HZ LYS 20 1HZ LYS 20 -17.264 6.689 2.643 156 2HZ LYS 20 2HZ LYS 20 -16.328 5.963 3.762 157 3HZ LYS 20 3HZ LYS 20 -16.384 7.566 3.730 158 H LYS 21 H LYS 21 -14.686 5.986 -2.349 159 HA LYS 21 HA LYS 21 -17.515 5.945 -2.589 160 1HB LYS 21 1HB LYS 21 -15.570 7.785 -4.005 161 2HB LYS 21 2HB LYS 21 -17.311 7.948 -3.901 162 1HG LYS 21 1HG LYS 21 -17.057 7.890 -1.362 163 2HG LYS 21 2HG LYS 21 -15.324 8.107 -1.658 164 1HD LYS 21 1HD LYS 21 -15.901 10.226 -2.940 165 2HD LYS 21 2HD LYS 21 -17.604 9.957 -2.457 166 1HE LYS 21 1HE LYS 21 -16.597 9.727 -0.022 167 2HE LYS 21 2HE LYS 21 -15.194 10.522 -0.713 168 1HZ LYS 21 1HZ LYS 21 -16.803 12.294 -1.479 169 2HZ LYS 21 2HZ LYS 21 -17.893 11.631 -0.438 170 3HZ LYS 21 3HZ LYS 21 -16.452 12.206 0.130 171 H GLU 22 H GLU 22 -14.767 5.393 -4.868 172 HA GLU 22 HA GLU 22 -16.225 5.478 -7.206 173 1HB GLU 22 1HB GLU 22 -13.662 3.947 -6.626 174 2HB GLU 22 2HB GLU 22 -14.324 4.216 -8.247 175 1HG GLU 22 1HG GLU 22 -14.311 6.697 -7.770 176 2HG GLU 22 2HG GLU 22 -13.479 6.347 -6.252 177 H MET 23 H MET 23 -15.745 2.617 -5.142 178 HA MET 23 HA MET 23 -17.347 1.015 -7.031 179 1HB MET 23 1HB MET 23 -16.189 -0.294 -4.648 180 2HB MET 23 2HB MET 23 -16.240 -0.783 -6.310 181 1HG MET 23 1HG MET 23 -14.346 0.981 -6.695 182 2HG MET 23 2HG MET 23 -14.188 0.918 -4.935 183 1HE MET 23 1HE MET 23 -13.137 -0.390 -8.234 184 2HE MET 23 2HE MET 23 -12.776 -2.112 -8.042 185 3HE MET 23 3HE MET 23 -14.466 -1.563 -8.081 186 H THR 24 H THR 24 -17.996 2.949 -4.371 187 HA THR 24 HA THR 24 -18.782 2.663 -2.291 188 HB THR 24 HB THR 24 -21.174 1.743 -3.844 189 HG1 THR 24 HG1 THR 24 -20.637 3.730 -4.460 190 1HG2 THR 24 1HG2 THR 24 -20.916 2.742 -0.971 191 2HG2 THR 24 2HG2 THR 24 -22.442 2.686 -1.891 192 3HG2 THR 24 3HG2 THR 24 -21.574 1.194 -1.487 193 H LEU 25 H LEU 25 -17.047 1.414 -1.921 194 HA LEU 25 HA LEU 25 -17.430 -1.409 -1.112 195 1HB LEU 25 1HB LEU 25 -15.244 0.487 -0.206 196 2HB LEU 25 2HB LEU 25 -15.222 -1.237 -0.109 197 HG LEU 25 HG LEU 25 -15.203 0.160 -2.816 198 1HD1 LEU 25 1HD1 LEU 25 -13.174 0.852 -1.565 199 2HD1 LEU 25 2HD1 LEU 25 -12.777 -0.851 -1.291 200 3HD1 LEU 25 3HD1 LEU 25 -12.810 -0.187 -2.938 201 1HD2 LEU 25 1HD2 LEU 25 -15.878 -2.272 -2.696 202 2HD2 LEU 25 2HD2 LEU 25 -14.381 -2.001 -3.606 203 3HD2 LEU 25 3HD2 LEU 25 -14.294 -2.608 -1.953 204 H THR 26 H THR 26 -16.781 -1.578 1.419 205 HA THR 26 HA THR 26 -18.858 -0.054 2.838 206 HB THR 26 HB THR 26 -17.917 -1.215 4.906 207 HG1 THR 26 HG1 THR 26 -15.974 -1.968 3.322 208 1HG2 THR 26 1HG2 THR 26 -19.931 -1.871 3.680 209 2HG2 THR 26 2HG2 THR 26 -18.961 -2.872 2.584 210 3HG2 THR 26 3HG2 THR 26 -19.055 -3.270 4.323 211 H ASP 27 H ASP 27 -18.167 0.855 5.132 212 HA ASP 27 HA ASP 27 -16.404 3.120 4.437 213 1HB ASP 27 1HB ASP 27 -18.910 3.245 4.996 214 2HB ASP 27 2HB ASP 27 -18.456 2.940 6.663 215 H ALA 28 H ALA 28 -16.837 0.609 6.931 216 HA ALA 28 HA ALA 28 -15.064 1.537 8.903 217 1HB ALA 28 1HB ALA 28 -16.635 -0.442 9.068 218 2HB ALA 28 2HB ALA 28 -14.990 -0.776 9.633 219 3HB ALA 28 3HB ALA 28 -15.512 -1.355 8.039 220 H ILE 29 H ILE 29 -14.350 0.694 5.738 221 HA ILE 29 HA ILE 29 -11.822 -0.596 5.721 222 HB ILE 29 HB ILE 29 -11.777 0.014 3.433 223 1HG1 ILE 29 1HG1 ILE 29 -13.516 1.467 2.401 224 2HG1 ILE 29 2HG1 ILE 29 -14.004 2.014 4.014 225 1HG2 ILE 29 1HG2 ILE 29 -13.359 -1.750 4.027 226 2HG2 ILE 29 2HG2 ILE 29 -14.656 -0.561 4.279 227 3HG2 ILE 29 3HG2 ILE 29 -13.991 -0.794 2.671 228 1HD1 ILE 29 1HD1 ILE 29 -11.121 2.211 3.366 229 2HD1 ILE 29 2HD1 ILE 29 -12.200 3.317 2.479 230 3HD1 ILE 29 3HD1 ILE 29 -12.162 3.342 4.251 231 H ASN 30 H ASN 30 -12.445 2.572 6.821 232 HA ASN 30 HA ASN 30 -9.755 3.547 6.342 233 1HB ASN 30 1HB ASN 30 -11.989 4.785 7.172 234 2HB ASN 30 2HB ASN 30 -11.262 4.452 8.721 235 1HD2 ASN 30 1HD2 ASN 30 -11.281 6.967 8.762 236 2HD2 ASN 30 2HD2 ASN 30 -9.862 7.709 7.999 237 H GLU 31 H GLU 31 -11.415 2.370 9.207 238 HA GLU 31 HA GLU 31 -8.927 2.036 10.687 239 1HB GLU 31 1HB GLU 31 -11.774 1.154 11.301 240 2HB GLU 31 2HB GLU 31 -10.399 0.917 12.392 241 1HG GLU 31 1HG GLU 31 -10.008 3.437 12.301 242 2HG GLU 31 2HG GLU 31 -11.585 3.568 11.491 243 H ASP 32 H ASP 32 -11.123 -0.196 8.943 244 HA ASP 32 HA ASP 32 -9.799 -2.481 10.049 245 1HB ASP 32 1HB ASP 32 -12.217 -2.330 9.275 246 2HB ASP 32 2HB ASP 32 -11.598 -2.577 7.632 247 H PHE 33 H PHE 33 -9.111 -0.525 7.302 248 HA PHE 33 HA PHE 33 -7.227 -2.418 6.080 249 1HB PHE 33 1HB PHE 33 -8.214 -0.495 4.832 250 2HB PHE 33 2HB PHE 33 -7.438 0.618 5.933 251 HD1 PHE 33 HD1 PHE 33 -6.313 -2.374 3.862 252 HD2 PHE 33 HD2 PHE 33 -5.517 1.666 5.148 253 HE1 PHE 33 HE1 PHE 33 -4.144 -2.394 2.645 254 HE2 PHE 33 HE2 PHE 33 -3.396 1.650 3.869 255 HZ PHE 33 HZ PHE 33 -2.651 -0.406 2.742 256 H TYR 34 H TYR 34 -7.138 0.340 8.381 257 HA TYR 34 HA TYR 34 -4.338 0.166 8.886 258 1HB TYR 34 1HB TYR 34 -6.666 1.421 10.363 259 2HB TYR 34 2HB TYR 34 -5.049 1.429 10.998 260 HD1 TYR 34 HD1 TYR 34 -4.420 3.766 10.916 261 HD2 TYR 34 HD2 TYR 34 -6.155 1.958 7.387 262 HE1 TYR 34 HE1 TYR 34 -4.133 5.861 9.659 263 HE2 TYR 34 HE2 TYR 34 -5.847 3.999 6.141 264 HH TYR 34 HH TYR 34 -4.957 7.018 7.695 265 H ASN 35 H ASN 35 -7.035 -1.487 10.237 266 HA ASN 35 HA ASN 35 -5.823 -2.945 12.433 267 1HB ASN 35 1HB ASN 35 -8.134 -3.774 10.614 268 2HB ASN 35 2HB ASN 35 -7.552 -4.710 11.956 269 1HD2 ASN 35 1HD2 ASN 35 -10.212 -3.818 11.660 270 2HD2 ASN 35 2HD2 ASN 35 -10.566 -2.745 12.997 271 H PHE 36 H PHE 36 -6.464 -3.976 9.036 272 HA PHE 36 HA PHE 36 -5.540 -6.530 9.081 273 1HB PHE 36 1HB PHE 36 -6.607 -5.638 7.142 274 2HB PHE 36 2HB PHE 36 -5.440 -4.363 6.988 275 HD1 PHE 36 HD1 PHE 36 -4.514 -4.474 4.908 276 HD2 PHE 36 HD2 PHE 36 -4.737 -8.085 7.285 277 HE1 PHE 36 HE1 PHE 36 -3.131 -5.668 3.252 278 HE2 PHE 36 HE2 PHE 36 -3.384 -9.265 5.604 279 HZ PHE 36 HZ PHE 36 -2.565 -8.063 3.589 280 H TRP 37 H TRP 37 -3.477 -3.643 8.759 281 HA TRP 37 HA TRP 37 -1.040 -4.821 8.162 282 1HB TRP 37 1HB TRP 37 -1.505 -2.571 10.153 283 2HB TRP 37 2HB TRP 37 -0.054 -2.859 9.226 284 HD1 TRP 37 HD1 TRP 37 -2.086 -3.233 6.456 285 HE1 TRP 37 HE1 TRP 37 -2.942 -1.095 5.381 286 HE3 TRP 37 HE3 TRP 37 -1.286 -0.027 10.341 287 HZ2 TRP 37 HZ2 TRP 37 -3.091 1.732 6.080 288 HZ3 TRP 37 HZ3 TRP 37 -1.832 2.379 10.131 289 HH2 TRP 37 HH2 TRP 37 -2.697 3.270 7.966 290 H LYS 38 H LYS 38 -2.694 -4.875 11.304 291 HA LYS 38 HA LYS 38 -0.262 -5.049 12.882 292 1HB LYS 38 1HB LYS 38 -3.225 -5.365 13.531 293 2HB LYS 38 2HB LYS 38 -1.952 -5.284 14.745 294 1HG LYS 38 1HG LYS 38 -1.384 -3.017 14.086 295 2HG LYS 38 2HG LYS 38 -2.468 -3.050 12.706 296 1HD LYS 38 1HD LYS 38 -4.327 -2.626 13.919 297 2HD LYS 38 2HD LYS 38 -3.861 -3.675 15.233 298 1HE LYS 38 1HE LYS 38 -2.004 -1.655 15.512 299 2HE LYS 38 2HE LYS 38 -3.357 -0.743 14.824 300 1HZ LYS 38 1HZ LYS 38 -3.592 -2.534 17.150 301 2HZ LYS 38 2HZ LYS 38 -3.207 -0.986 17.327 302 3HZ LYS 38 3HZ LYS 38 -4.692 -1.368 16.682 303 H GLU 39 H GLU 39 0.256 -6.945 14.343 304 HA GLU 39 HA GLU 39 -0.023 -9.418 12.856 305 1HB GLU 39 1HB GLU 39 1.247 -8.659 15.519 306 2HB GLU 39 2HB GLU 39 1.077 -10.348 15.004 307 1HG GLU 39 1HG GLU 39 2.191 -9.793 12.853 308 2HG GLU 39 2HG GLU 39 2.505 -8.162 13.444 309 H GLY 40 H GLY 40 -1.204 -11.239 13.405 310 1HA GLY 40 1HA GLY 40 -2.979 -11.337 15.706 311 2HA GLY 40 2HA GLY 40 -2.817 -12.514 14.398 312 H TYR 41 H TYR 41 -3.281 -10.017 12.428 313 HA TYR 41 HA TYR 41 -6.229 -9.971 12.685 314 1HB TYR 41 1HB TYR 41 -4.241 -7.912 12.001 315 2HB TYR 41 2HB TYR 41 -5.561 -8.065 10.879 316 HD1 TYR 41 HD1 TYR 41 -7.970 -8.010 11.783 317 HD2 TYR 41 HD2 TYR 41 -4.567 -6.903 14.143 318 HE1 TYR 41 HE1 TYR 41 -9.454 -6.682 13.221 319 HE2 TYR 41 HE2 TYR 41 -6.020 -5.602 15.654 320 HH TYR 41 HH TYR 41 -9.561 -5.209 15.064 321 H GLU 42 H GLU 42 -6.558 -11.905 11.746 322 HA GLU 42 HA GLU 42 -5.729 -12.399 8.948 323 1HB GLU 42 1HB GLU 42 -7.270 -13.877 11.049 324 2HB GLU 42 2HB GLU 42 -7.873 -14.072 9.418 325 1HG GLU 42 1HG GLU 42 -6.351 -15.841 9.870 326 2HG GLU 42 2HG GLU 42 -5.736 -14.811 8.579 327 H ILE 43 H ILE 43 -6.383 -9.996 8.622 328 HA ILE 43 HA ILE 43 -9.240 -9.779 7.830 329 HB ILE 43 HB ILE 43 -6.983 -7.869 7.414 330 1HG1 ILE 43 1HG1 ILE 43 -7.495 -7.786 9.675 331 2HG1 ILE 43 2HG1 ILE 43 -8.448 -6.518 8.968 332 1HG2 ILE 43 1HG2 ILE 43 -9.945 -7.697 6.735 333 2HG2 ILE 43 2HG2 ILE 43 -8.830 -6.319 6.739 334 3HG2 ILE 43 3HG2 ILE 43 -8.571 -7.660 5.599 335 1HD1 ILE 43 1HD1 ILE 43 -10.464 -8.067 9.034 336 2HD1 ILE 43 2HD1 ILE 43 -9.460 -9.118 10.070 337 3HD1 ILE 43 3HD1 ILE 43 -9.848 -7.470 10.579 338 H LYS 44 H LYS 44 -9.311 -11.634 6.529 339 HA LYS 44 HA LYS 44 -7.384 -12.032 4.316 340 1HB LYS 44 1HB LYS 44 -9.842 -13.541 5.329 341 2HB LYS 44 2HB LYS 44 -8.925 -14.052 3.923 342 1HG LYS 44 1HG LYS 44 -7.596 -13.671 6.645 343 2HG LYS 44 2HG LYS 44 -8.396 -15.169 6.185 344 1HD LYS 44 1HD LYS 44 -6.240 -13.955 4.426 345 2HD LYS 44 2HD LYS 44 -5.845 -14.999 5.802 346 1HE LYS 44 1HE LYS 44 -7.216 -16.808 4.897 347 2HE LYS 44 2HE LYS 44 -7.760 -15.789 3.559 348 1HZ LYS 44 1HZ LYS 44 -4.950 -16.511 4.027 349 2HZ LYS 44 2HZ LYS 44 -5.944 -17.360 3.063 350 3HZ LYS 44 3HZ LYS 44 -5.575 -15.785 2.665 351 H ASN 45 H ASN 45 -9.839 -10.018 4.807 352 HA ASN 45 HA ASN 45 -11.840 -10.799 3.053 353 1HB ASN 45 1HB ASN 45 -12.594 -9.400 4.702 354 2HB ASN 45 2HB ASN 45 -11.301 -8.210 4.466 355 1HD2 ASN 45 1HD2 ASN 45 -14.382 -9.375 2.990 356 2HD2 ASN 45 2HD2 ASN 45 -14.660 -8.023 2.019 357 H ARG 46 H ARG 46 -12.655 -10.037 1.312 358 HA ARG 46 HA ARG 46 -10.975 -9.851 -1.012 359 1HB ARG 46 1HB ARG 46 -13.903 -9.128 -0.903 360 2HB ARG 46 2HB ARG 46 -12.992 -9.761 -2.261 361 1HG ARG 46 1HG ARG 46 -12.913 -11.970 -1.196 362 2HG ARG 46 2HG ARG 46 -13.597 -11.345 0.294 363 1HD ARG 46 1HD ARG 46 -15.664 -10.904 -0.576 364 2HD ARG 46 2HD ARG 46 -15.095 -10.862 -2.256 365 HE ARG 46 HE ARG 46 -14.568 -13.431 -1.614 366 1HH1 ARG 46 1HH1 ARG 46 -15.888 -15.128 -2.121 367 2HH1 ARG 46 2HH1 ARG 46 -17.599 -14.956 -2.417 368 1HH2 ARG 46 1HH2 ARG 46 -17.498 -11.465 -1.869 369 2HH2 ARG 46 2HH2 ARG 46 -18.577 -12.801 -2.101 370 H GLU 47 H GLU 47 -13.025 -7.487 0.730 371 HA GLU 47 HA GLU 47 -12.643 -5.333 -1.150 372 1HB GLU 47 1HB GLU 47 -14.230 -5.955 1.332 373 2HB GLU 47 2HB GLU 47 -13.742 -4.246 1.118 374 1HG GLU 47 1HG GLU 47 -14.623 -4.706 -1.387 375 2HG GLU 47 2HG GLU 47 -15.492 -5.998 -0.600 376 H THR 48 H THR 48 -10.973 -6.279 1.882 377 HA THR 48 HA THR 48 -9.421 -3.936 2.121 378 HB THR 48 HB THR 48 -8.537 -6.816 2.609 379 HG1 THR 48 HG1 THR 48 -9.406 -6.277 4.747 380 1HG2 THR 48 1HG2 THR 48 -6.730 -5.105 2.867 381 2HG2 THR 48 2HG2 THR 48 -7.760 -4.227 4.023 382 3HG2 THR 48 3HG2 THR 48 -7.172 -5.860 4.404 383 H GLY 49 H GLY 49 -9.044 -6.783 -0.043 384 1HA GLY 49 1HA GLY 49 -7.822 -7.049 -1.955 385 2HA GLY 49 2HA GLY 49 -6.618 -5.918 -1.333 386 H CYS 50 H CYS 50 -10.126 -5.239 -1.907 387 HA CYS 50 HA CYS 50 -9.740 -3.848 -4.371 388 1HB CYS 50 1HB CYS 50 -11.858 -3.336 -2.258 389 2HB CYS 50 2HB CYS 50 -11.888 -2.804 -3.886 390 H ALA 51 H ALA 51 -9.777 -2.717 -0.943 391 HA ALA 51 HA ALA 51 -9.380 0.001 -1.522 392 1HB ALA 51 1HB ALA 51 -8.453 0.241 0.754 393 2HB ALA 51 2HB ALA 51 -9.786 -0.913 0.821 394 3HB ALA 51 3HB ALA 51 -8.118 -1.493 0.857 395 H ILE 52 H ILE 52 -6.899 -2.549 -1.054 396 HA ILE 52 HA ILE 52 -4.623 -0.921 -1.408 397 HB ILE 52 HB ILE 52 -5.110 -3.858 -2.003 398 1HG1 ILE 52 1HG1 ILE 52 -3.739 -2.497 0.354 399 2HG1 ILE 52 2HG1 ILE 52 -5.421 -2.942 0.389 400 1HG2 ILE 52 1HG2 ILE 52 -3.112 -3.076 -3.261 401 2HG2 ILE 52 2HG2 ILE 52 -2.452 -2.362 -1.779 402 3HG2 ILE 52 3HG2 ILE 52 -2.642 -4.122 -1.930 403 1HD1 ILE 52 1HD1 ILE 52 -4.764 -5.329 -0.057 404 2HD1 ILE 52 2HD1 ILE 52 -3.073 -4.820 0.185 405 3HD1 ILE 52 3HD1 ILE 52 -4.245 -4.653 1.499 406 H MET 53 H MET 53 -6.458 -2.868 -3.827 407 HA MET 53 HA MET 53 -5.031 -2.205 -6.121 408 1HB MET 53 1HB MET 53 -6.698 -4.013 -5.889 409 2HB MET 53 2HB MET 53 -7.968 -2.856 -5.715 410 1HG MET 53 1HG MET 53 -6.351 -2.499 -8.170 411 2HG MET 53 2HG MET 53 -7.054 -4.097 -8.017 412 1HE MET 53 1HE MET 53 -9.602 -4.555 -7.682 413 2HE MET 53 2HE MET 53 -10.023 -3.278 -6.503 414 3HE MET 53 3HE MET 53 -10.904 -3.396 -8.034 415 H CYS 54 H CYS 54 -8.011 -0.515 -4.890 416 HA CYS 54 HA CYS 54 -8.080 1.489 -6.913 417 1HB CYS 54 1HB CYS 54 -9.986 0.987 -5.471 418 2HB CYS 54 2HB CYS 54 -9.079 1.438 -4.029 419 H LEU 55 H LEU 55 -6.528 1.336 -3.705 420 HA LEU 55 HA LEU 55 -5.558 4.012 -3.751 421 1HB LEU 55 1HB LEU 55 -4.681 1.502 -2.291 422 2HB LEU 55 2HB LEU 55 -3.775 2.983 -2.135 423 HG LEU 55 HG LEU 55 -6.737 2.783 -1.446 424 1HD1 LEU 55 1HD1 LEU 55 -4.188 2.609 0.208 425 2HD1 LEU 55 2HD1 LEU 55 -5.779 2.943 0.911 426 3HD1 LEU 55 3HD1 LEU 55 -5.491 1.406 0.080 427 1HD2 LEU 55 1HD2 LEU 55 -4.658 4.971 -1.089 428 2HD2 LEU 55 2HD2 LEU 55 -6.135 5.035 -2.066 429 3HD2 LEU 55 3HD2 LEU 55 -6.264 4.945 -0.304 430 H SER 56 H SER 56 -4.357 1.291 -5.663 431 HA SER 56 HA SER 56 -1.681 2.288 -5.769 432 1HB SER 56 1HB SER 56 -1.220 0.567 -7.150 433 2HB SER 56 2HB SER 56 -2.640 -0.082 -6.357 434 HG SER 56 HG SER 56 -2.307 -0.215 -8.656 435 H THR 57 H THR 57 -4.546 3.617 -6.976 436 HA THR 57 HA THR 57 -3.008 5.205 -8.963 437 HB THR 57 HB THR 57 -4.346 3.708 -10.144 438 HG1 THR 57 HG1 THR 57 -4.275 5.668 -11.044 439 1HG2 THR 57 1HG2 THR 57 -6.710 4.513 -8.445 440 2HG2 THR 57 2HG2 THR 57 -6.858 3.704 -10.023 441 3HG2 THR 57 3HG2 THR 57 -6.008 2.910 -8.698 442 H LYS 58 H LYS 58 -3.490 5.478 -6.027 443 HA LYS 58 HA LYS 58 -4.659 8.243 -6.007 444 1HB LYS 58 1HB LYS 58 -4.754 6.010 -3.953 445 2HB LYS 58 2HB LYS 58 -5.127 7.657 -3.524 446 1HG LYS 58 1HG LYS 58 -6.567 6.321 -5.815 447 2HG LYS 58 2HG LYS 58 -7.129 6.176 -4.134 448 1HD LYS 58 1HD LYS 58 -7.412 8.494 -3.877 449 2HD LYS 58 2HD LYS 58 -6.833 8.773 -5.534 450 1HE LYS 58 1HE LYS 58 -9.246 7.080 -4.725 451 2HE LYS 58 2HE LYS 58 -9.291 8.716 -5.329 452 1HZ LYS 58 1HZ LYS 58 -8.210 6.457 -6.926 453 2HZ LYS 58 2HZ LYS 58 -9.711 7.045 -7.100 454 3HZ LYS 58 3HZ LYS 58 -8.395 7.972 -7.449 455 H LEU 59 H LEU 59 -1.756 7.249 -6.384 456 HA LEU 59 HA LEU 59 -0.233 7.753 -4.075 457 1HB LEU 59 1HB LEU 59 0.638 8.595 -6.847 458 2HB LEU 59 2HB LEU 59 1.639 8.058 -5.505 459 HG LEU 59 HG LEU 59 -0.251 6.358 -7.189 460 1HD1 LEU 59 1HD1 LEU 59 1.836 7.064 -8.295 461 2HD1 LEU 59 2HD1 LEU 59 2.776 6.349 -6.962 462 3HD1 LEU 59 3HD1 LEU 59 1.788 5.321 -8.009 463 1HD2 LEU 59 1HD2 LEU 59 -0.215 5.464 -4.865 464 2HD2 LEU 59 2HD2 LEU 59 0.583 4.405 -6.020 465 3HD2 LEU 59 3HD2 LEU 59 1.564 5.396 -4.932 466 H ASN 60 H ASN 60 -1.646 10.134 -6.329 467 HA ASN 60 HA ASN 60 -0.176 12.396 -5.312 468 1HB ASN 60 1HB ASN 60 -1.390 13.643 -6.763 469 2HB ASN 60 2HB ASN 60 -1.696 12.081 -7.519 470 1HD2 ASN 60 1HD2 ASN 60 -3.850 10.958 -6.725 471 2HD2 ASN 60 2HD2 ASN 60 -5.179 12.066 -6.367 472 H MET 61 H MET 61 -2.824 10.640 -3.961 473 HA MET 61 HA MET 61 -3.712 12.788 -2.163 474 1HB MET 61 1HB MET 61 -4.163 9.769 -2.095 475 2HB MET 61 2HB MET 61 -4.945 10.943 -1.064 476 1HG MET 61 1HG MET 61 -5.213 10.763 -4.097 477 2HG MET 61 2HG MET 61 -6.376 10.165 -2.923 478 1HE MET 61 1HE MET 61 -6.550 12.310 -0.708 479 2HE MET 61 2HE MET 61 -7.843 13.350 -1.312 480 3HE MET 61 3HE MET 61 -7.976 11.583 -1.477 481 H LEU 62 H LEU 62 -1.681 9.790 -2.127 482 HA LEU 62 HA LEU 62 -1.275 9.759 0.677 483 1HB LEU 62 1HB LEU 62 0.341 8.557 -1.610 484 2HB LEU 62 2HB LEU 62 0.406 8.016 0.036 485 HG LEU 62 HG LEU 62 -2.062 7.874 -1.700 486 1HD1 LEU 62 1HD1 LEU 62 -0.189 6.447 -2.465 487 2HD1 LEU 62 2HD1 LEU 62 -0.218 5.612 -0.903 488 3HD1 LEU 62 3HD1 LEU 62 -1.637 5.561 -1.988 489 1HD2 LEU 62 1HD2 LEU 62 -1.500 6.673 1.040 490 2HD2 LEU 62 2HD2 LEU 62 -2.678 7.954 0.652 491 3HD2 LEU 62 3HD2 LEU 62 -2.917 6.318 0.034 492 H ASP 63 H ASP 63 0.467 11.017 -2.082 493 HA ASP 63 HA ASP 63 2.598 12.200 -0.383 494 1HB ASP 63 1HB ASP 63 3.233 10.287 -1.768 495 2HB ASP 63 2HB ASP 63 2.802 11.194 -3.219 496 HA PRO 64 HA PRO 64 0.587 15.832 -2.277 497 1HB PRO 64 1HB PRO 64 1.492 17.707 -0.480 498 2HB PRO 64 2HB PRO 64 0.094 16.638 -0.124 499 1HG PRO 64 1HG PRO 64 2.991 16.380 0.713 500 2HG PRO 64 2HG PRO 64 1.540 16.121 1.721 501 1HD PRO 64 1HD PRO 64 2.949 14.086 0.555 502 2HD PRO 64 2HD PRO 64 1.178 13.986 0.799 503 H GLU 65 H GLU 65 3.955 15.432 -1.333 504 HA GLU 65 HA GLU 65 4.911 17.720 -2.872 505 1HB GLU 65 1HB GLU 65 6.447 15.373 -1.678 506 2HB GLU 65 2HB GLU 65 7.152 16.812 -2.447 507 1HG GLU 65 1HG GLU 65 5.723 18.192 -0.799 508 2HG GLU 65 2HG GLU 65 5.453 16.694 0.083 509 H GLY 66 H GLY 66 3.996 14.434 -3.425 510 1HA GLY 66 1HA GLY 66 4.070 14.839 -6.287 511 2HA GLY 66 2HA GLY 66 3.291 13.530 -5.397 512 H ASN 67 H ASN 67 5.970 13.084 -3.907 513 HA ASN 67 HA ASN 67 8.010 12.392 -5.863 514 1HB ASN 67 1HB ASN 67 7.633 12.129 -2.903 515 2HB ASN 67 2HB ASN 67 8.708 10.965 -3.616 516 1HD2 ASN 67 1HD2 ASN 67 8.131 14.326 -2.946 517 2HD2 ASN 67 2HD2 ASN 67 9.820 14.780 -3.054 518 H LEU 68 H LEU 68 5.743 10.443 -3.889 519 HA LEU 68 HA LEU 68 6.442 7.929 -4.949 520 1HB LEU 68 1HB LEU 68 5.141 8.355 -2.864 521 2HB LEU 68 2HB LEU 68 3.776 8.904 -3.837 522 HG LEU 68 HG LEU 68 3.529 6.659 -4.819 523 1HD1 LEU 68 1HD1 LEU 68 5.849 5.894 -3.009 524 2HD1 LEU 68 2HD1 LEU 68 4.781 4.733 -3.812 525 3HD1 LEU 68 3HD1 LEU 68 5.799 5.791 -4.783 526 1HD2 LEU 68 1HD2 LEU 68 2.311 7.241 -2.761 527 2HD2 LEU 68 2HD2 LEU 68 2.738 5.516 -2.774 528 3HD2 LEU 68 3HD2 LEU 68 3.671 6.652 -1.775 529 H HIS 69 H HIS 69 6.318 7.311 -7.055 530 HA HIS 69 HA HIS 69 4.181 8.386 -8.841 531 1HB HIS 69 1HB HIS 69 7.092 7.735 -9.220 532 2HB HIS 69 2HB HIS 69 6.077 8.013 -10.575 533 HD1 HIS 69 HD1 HIS 69 4.591 10.724 -9.528 534 HD2 HIS 69 HD2 HIS 69 8.699 9.803 -9.311 535 HE1 HIS 69 HE1 HIS 69 5.823 12.878 -9.920 536 H HIS 70 H HIS 70 4.179 6.912 -10.903 537 HA HIS 70 HA HIS 70 3.127 4.333 -9.955 538 1HB HIS 70 1HB HIS 70 1.776 5.754 -11.266 539 2HB HIS 70 2HB HIS 70 2.955 5.774 -12.597 540 HD1 HIS 70 HD1 HIS 70 0.869 4.972 -14.185 541 HD2 HIS 70 HD2 HIS 70 2.366 2.280 -11.333 542 HE1 HIS 70 HE1 HIS 70 0.042 2.643 -14.871 543 H GLY 71 H GLY 71 5.193 3.751 -9.467 544 1HA GLY 71 1HA GLY 71 6.693 2.299 -11.631 545 2HA GLY 71 2HA GLY 71 6.458 1.683 -9.991 546 H ASN 72 H ASN 72 7.089 4.923 -9.644 547 HA ASN 72 HA ASN 72 10.035 4.501 -9.352 548 1HB ASN 72 1HB ASN 72 9.466 5.902 -11.361 549 2HB ASN 72 2HB ASN 72 8.695 7.046 -10.324 550 1HD2 ASN 72 1HD2 ASN 72 10.408 8.477 -11.361 551 2HD2 ASN 72 2HD2 ASN 72 11.996 8.490 -10.617 552 H ALA 73 H ALA 73 9.352 3.886 -7.143 553 HA ALA 73 HA ALA 73 8.378 6.080 -5.423 554 1HB ALA 73 1HB ALA 73 7.374 3.747 -5.396 555 2HB ALA 73 2HB ALA 73 7.968 4.312 -3.825 556 3HB ALA 73 3HB ALA 73 8.929 3.170 -4.767 557 H MET 74 H MET 74 11.220 6.121 -6.594 558 HA MET 74 HA MET 74 12.884 4.869 -4.548 559 1HB MET 74 1HB MET 74 13.424 6.228 -7.219 560 2HB MET 74 2HB MET 74 14.692 5.659 -6.136 561 1HG MET 74 1HG MET 74 13.720 3.381 -6.166 562 2HG MET 74 2HG MET 74 12.538 3.918 -7.365 563 1HE MET 74 1HE MET 74 13.487 1.708 -8.580 564 2HE MET 74 2HE MET 74 15.142 1.562 -9.218 565 3HE MET 74 3HE MET 74 14.855 1.485 -7.463 566 H GLU 75 H GLU 75 12.183 8.223 -5.684 567 HA GLU 75 HA GLU 75 14.141 9.391 -3.845 568 1HB GLU 75 1HB GLU 75 11.799 10.543 -5.434 569 2HB GLU 75 2HB GLU 75 12.742 11.459 -4.258 570 1HG GLU 75 1HG GLU 75 14.830 10.890 -5.557 571 2HG GLU 75 2HG GLU 75 13.808 10.227 -6.812 572 H PHE 76 H PHE 76 10.625 8.556 -3.777 573 HA PHE 76 HA PHE 76 10.059 9.433 -1.161 574 1HB PHE 76 1HB PHE 76 8.330 8.816 -2.672 575 2HB PHE 76 2HB PHE 76 9.055 7.269 -3.019 576 HD1 PHE 76 HD1 PHE 76 7.675 9.176 -0.151 577 HD2 PHE 76 HD2 PHE 76 8.337 5.387 -1.929 578 HE1 PHE 76 HE1 PHE 76 6.099 8.142 1.536 579 HE2 PHE 76 HE2 PHE 76 6.633 4.318 -0.393 580 HZ PHE 76 HZ PHE 76 5.524 5.738 1.342 581 H ALA 77 H ALA 77 11.254 6.188 -2.328 582 HA ALA 77 HA ALA 77 11.558 5.040 0.131 583 1HB ALA 77 1HB ALA 77 13.620 4.705 -2.133 584 2HB ALA 77 2HB ALA 77 13.216 3.531 -0.884 585 3HB ALA 77 3HB ALA 77 12.046 3.908 -2.138 586 H LYS 78 H LYS 78 14.056 6.936 -1.611 587 HA LYS 78 HA LYS 78 15.925 6.850 0.537 588 1HB LYS 78 1HB LYS 78 15.653 8.741 -1.834 589 2HB LYS 78 2HB LYS 78 16.858 8.943 -0.547 590 1HG LYS 78 1HG LYS 78 17.503 6.473 -0.980 591 2HG LYS 78 2HG LYS 78 16.616 6.641 -2.494 592 1HD LYS 78 1HD LYS 78 18.944 7.001 -2.899 593 2HD LYS 78 2HD LYS 78 18.155 8.562 -3.099 594 1HE LYS 78 1HE LYS 78 19.294 7.819 -0.387 595 2HE LYS 78 2HE LYS 78 20.426 8.226 -1.681 596 1HZ LYS 78 1HZ LYS 78 18.252 10.081 -0.908 597 2HZ LYS 78 2HZ LYS 78 19.734 10.125 -0.247 598 3HZ LYS 78 3HZ LYS 78 19.539 10.374 -1.862 599 H LYS 79 H LYS 79 13.148 9.048 0.004 600 HA LYS 79 HA LYS 79 13.872 10.897 1.940 601 1HB LYS 79 1HB LYS 79 11.201 10.113 0.916 602 2HB LYS 79 2HB LYS 79 11.292 11.062 2.377 603 1HG LYS 79 1HG LYS 79 13.227 12.018 0.329 604 2HG LYS 79 2HG LYS 79 11.662 11.886 -0.302 605 1HD LYS 79 1HD LYS 79 12.173 14.150 0.620 606 2HD LYS 79 2HD LYS 79 10.746 13.433 1.392 607 1HE LYS 79 1HE LYS 79 11.807 13.084 3.409 608 2HE LYS 79 2HE LYS 79 13.364 12.740 2.651 609 1HZ LYS 79 1HZ LYS 79 12.312 15.484 2.898 610 2HZ LYS 79 2HZ LYS 79 13.338 14.749 3.960 611 3HZ LYS 79 3HZ LYS 79 13.817 15.002 2.422 612 H HIS 80 H HIS 80 12.479 7.624 2.429 613 HA HIS 80 HA HIS 80 12.233 8.285 5.305 614 1HB HIS 80 1HB HIS 80 11.399 5.858 3.760 615 2HB HIS 80 2HB HIS 80 10.975 6.215 5.445 616 HD1 HIS 80 HD1 HIS 80 9.503 8.730 5.692 617 HD2 HIS 80 HD2 HIS 80 9.898 6.883 1.925 618 HE1 HIS 80 HE1 HIS 80 7.881 9.922 4.077 619 H GLY 81 H GLY 81 14.664 7.312 3.338 620 1HA GLY 81 1HA GLY 81 16.049 5.785 5.496 621 2HA GLY 81 2HA GLY 81 16.859 6.940 4.421 622 H ALA 82 H ALA 82 14.501 5.009 2.854 623 HA ALA 82 HA ALA 82 16.100 2.579 2.593 624 1HB ALA 82 1HB ALA 82 13.482 3.474 1.340 625 2HB ALA 82 2HB ALA 82 14.251 1.925 0.979 626 3HB ALA 82 3HB ALA 82 13.723 2.297 2.634 627 H ASP 83 H ASP 83 17.903 2.492 1.263 628 HA ASP 83 HA ASP 83 18.401 4.446 -0.771 629 1HB ASP 83 1HB ASP 83 19.785 1.922 -0.335 630 2HB ASP 83 2HB ASP 83 20.400 3.332 -1.157 631 H GLU 84 H GLU 84 19.412 3.317 -2.904 632 HA GLU 84 HA GLU 84 17.237 2.590 -4.518 633 1HB GLU 84 1HB GLU 84 20.178 1.978 -5.013 634 2HB GLU 84 2HB GLU 84 18.903 2.202 -6.231 635 1HG GLU 84 1HG GLU 84 18.792 4.594 -4.877 636 2HG GLU 84 2HG GLU 84 20.482 4.162 -4.640 637 H THR 85 H THR 85 19.853 0.563 -3.140 638 HA THR 85 HA THR 85 18.886 -1.920 -4.140 639 HB THR 85 HB THR 85 20.316 -1.295 -1.518 640 HG1 THR 85 HG1 THR 85 21.855 -2.624 -3.101 641 1HG2 THR 85 1HG2 THR 85 19.927 -4.034 -2.762 642 2HG2 THR 85 2HG2 THR 85 21.039 -3.641 -1.426 643 3HG2 THR 85 3HG2 THR 85 19.303 -3.474 -1.215 644 H MET 86 H MET 86 17.798 -0.062 -1.270 645 HA MET 86 HA MET 86 16.356 -2.291 -0.084 646 1HB MET 86 1HB MET 86 16.591 0.729 0.304 647 2HB MET 86 2HB MET 86 15.446 -0.166 1.225 648 1HG MET 86 1HG MET 86 17.164 -1.503 2.264 649 2HG MET 86 2HG MET 86 18.392 -0.897 1.134 650 1HE MET 86 1HE MET 86 19.974 -0.471 3.123 651 2HE MET 86 2HE MET 86 19.686 0.718 4.410 652 3HE MET 86 3HE MET 86 18.802 -0.823 4.421 653 H ALA 87 H ALA 87 15.451 0.600 -2.107 654 HA ALA 87 HA ALA 87 12.705 -0.209 -2.372 655 1HB ALA 87 1HB ALA 87 14.459 1.312 -4.357 656 2HB ALA 87 2HB ALA 87 12.677 1.255 -4.311 657 3HB ALA 87 3HB ALA 87 13.568 2.035 -2.995 658 H GLN 88 H GLN 88 15.597 -0.872 -4.443 659 HA GLN 88 HA GLN 88 14.162 -2.281 -6.382 660 1HB GLN 88 1HB GLN 88 16.508 -1.210 -6.475 661 2HB GLN 88 2HB GLN 88 17.111 -2.673 -5.696 662 1HG GLN 88 1HG GLN 88 17.436 -2.739 -8.101 663 2HG GLN 88 2HG GLN 88 16.309 -4.004 -7.615 664 1HE2 GLN 88 1HE2 GLN 88 14.500 -4.159 -8.925 665 2HE2 GLN 88 2HE2 GLN 88 13.897 -2.893 -9.958 666 H GLN 89 H GLN 89 15.492 -3.459 -3.380 667 HA GLN 89 HA GLN 89 15.104 -6.286 -3.729 668 1HB GLN 89 1HB GLN 89 15.361 -4.335 -1.434 669 2HB GLN 89 2HB GLN 89 14.618 -5.834 -1.049 670 1HG GLN 89 1HG GLN 89 17.274 -5.671 -2.514 671 2HG GLN 89 2HG GLN 89 17.141 -5.658 -0.764 672 1HE2 GLN 89 1HE2 GLN 89 18.663 -7.753 -1.447 673 2HE2 GLN 89 2HE2 GLN 89 17.701 -9.201 -1.394 674 H LEU 90 H LEU 90 12.967 -3.671 -2.455 675 HA LEU 90 HA LEU 90 10.771 -5.450 -1.945 676 1HB LEU 90 1HB LEU 90 10.999 -2.426 -2.233 677 2HB LEU 90 2HB LEU 90 9.541 -3.234 -1.750 678 HG LEU 90 HG LEU 90 12.182 -3.331 -0.236 679 1HD1 LEU 90 1HD1 LEU 90 11.097 -1.117 -0.222 680 2HD1 LEU 90 2HD1 LEU 90 9.597 -1.832 0.382 681 3HD1 LEU 90 3HD1 LEU 90 11.071 -1.844 1.381 682 1HD2 LEU 90 1HD2 LEU 90 10.723 -5.401 0.131 683 2HD2 LEU 90 2HD2 LEU 90 11.132 -4.466 1.556 684 3HD2 LEU 90 3HD2 LEU 90 9.527 -4.288 0.833 685 H ILE 91 H ILE 91 11.508 -3.237 -4.647 686 HA ILE 91 HA ILE 91 9.143 -3.579 -6.118 687 HB ILE 91 HB ILE 91 12.034 -2.942 -6.724 688 1HG1 ILE 91 1HG1 ILE 91 9.724 -1.133 -7.388 689 2HG1 ILE 91 2HG1 ILE 91 10.053 -1.403 -5.682 690 1HG2 ILE 91 1HG2 ILE 91 9.887 -3.260 -8.814 691 2HG2 ILE 91 2HG2 ILE 91 11.332 -2.253 -9.060 692 3HG2 ILE 91 3HG2 ILE 91 11.492 -3.997 -8.786 693 1HD1 ILE 91 1HD1 ILE 91 12.162 -0.437 -7.642 694 2HD1 ILE 91 2HD1 ILE 91 11.150 0.612 -6.614 695 3HD1 ILE 91 3HD1 ILE 91 12.250 -0.537 -5.863 696 H ASP 92 H ASP 92 12.115 -5.568 -6.121 697 HA ASP 92 HA ASP 92 11.296 -7.420 -8.134 698 1HB ASP 92 1HB ASP 92 13.572 -7.134 -6.829 699 2HB ASP 92 2HB ASP 92 12.913 -8.201 -5.651 700 H ILE 93 H ILE 93 11.092 -7.524 -4.665 701 HA ILE 93 HA ILE 93 9.526 -9.865 -4.356 702 HB ILE 93 HB ILE 93 9.793 -7.354 -2.651 703 1HG1 ILE 93 1HG1 ILE 93 10.868 -10.186 -2.480 704 2HG1 ILE 93 2HG1 ILE 93 11.799 -8.788 -2.948 705 1HG2 ILE 93 1HG2 ILE 93 8.295 -9.882 -2.007 706 2HG2 ILE 93 2HG2 ILE 93 8.705 -8.605 -0.830 707 3HG2 ILE 93 3HG2 ILE 93 7.602 -8.269 -2.155 708 1HD1 ILE 93 1HD1 ILE 93 11.422 -7.790 -0.671 709 2HD1 ILE 93 2HD1 ILE 93 10.678 -9.338 -0.183 710 3HD1 ILE 93 3HD1 ILE 93 12.372 -9.290 -0.681 711 H VAL 94 H VAL 94 8.267 -6.479 -4.936 712 HA VAL 94 HA VAL 94 5.594 -7.174 -4.582 713 HB VAL 94 HB VAL 94 6.778 -5.094 -6.447 714 1HG1 VAL 94 1HG1 VAL 94 4.510 -5.675 -7.401 715 2HG1 VAL 94 2HG1 VAL 94 3.787 -5.381 -5.812 716 3HG1 VAL 94 3HG1 VAL 94 4.560 -4.080 -6.713 717 1HG2 VAL 94 1HG2 VAL 94 6.938 -4.709 -3.989 718 2HG2 VAL 94 2HG2 VAL 94 5.899 -3.539 -4.797 719 3HG2 VAL 94 3HG2 VAL 94 5.172 -4.869 -3.849 720 H HIS 95 H HIS 95 7.555 -7.393 -7.617 721 HA HIS 95 HA HIS 95 5.266 -8.563 -9.020 722 1HB HIS 95 1HB HIS 95 8.173 -8.279 -9.830 723 2HB HIS 95 2HB HIS 95 6.830 -8.739 -10.886 724 HD1 HIS 95 HD1 HIS 95 8.645 -6.037 -11.119 725 HD2 HIS 95 HD2 HIS 95 4.817 -6.374 -9.408 726 HE1 HIS 95 HE1 HIS 95 7.513 -3.719 -11.308 727 H GLY 96 H GLY 96 8.122 -9.776 -7.331 728 1HA GLY 96 1HA GLY 96 8.568 -11.863 -6.495 729 2HA GLY 96 2HA GLY 96 7.990 -12.521 -8.049 730 H CYS 97 H CYS 97 5.862 -10.575 -6.158 731 HA CYS 97 HA CYS 97 4.568 -12.880 -4.839 732 1HB CYS 97 1HB CYS 97 4.746 -9.934 -4.265 733 2HB CYS 97 2HB CYS 97 3.341 -10.824 -3.701 734 H GLU 98 H GLU 98 4.112 -10.663 -7.484 735 HA GLU 98 HA GLU 98 1.332 -11.218 -7.874 736 1HB GLU 98 1HB GLU 98 3.566 -10.831 -9.848 737 2HB GLU 98 2HB GLU 98 1.905 -11.075 -10.302 738 1HG GLU 98 1HG GLU 98 1.322 -9.014 -8.978 739 2HG GLU 98 2HG GLU 98 3.004 -8.800 -8.649 740 H LYS 99 H LYS 99 4.479 -12.756 -8.770 741 HA LYS 99 HA LYS 99 3.309 -14.775 -10.348 742 1HB LYS 99 1HB LYS 99 6.018 -15.011 -9.115 743 2HB LYS 99 2HB LYS 99 5.349 -15.824 -10.551 744 1HG LYS 99 1HG LYS 99 5.991 -12.919 -10.300 745 2HG LYS 99 2HG LYS 99 6.864 -14.125 -11.218 746 1HD LYS 99 1HD LYS 99 4.000 -13.406 -11.772 747 2HD LYS 99 2HD LYS 99 5.368 -12.571 -12.520 748 1HE LYS 99 1HE LYS 99 6.161 -14.718 -13.473 749 2HE LYS 99 2HE LYS 99 4.775 -15.540 -12.737 750 1HZ LYS 99 1HZ LYS 99 4.542 -13.357 -14.712 751 2HZ LYS 99 2HZ LYS 99 4.352 -14.935 -15.062 752 3HZ LYS 99 3HZ LYS 99 3.311 -14.203 -14.027 753 H SER 100 H SER 100 4.389 -14.974 -6.886 754 HA SER 100 HA SER 100 3.873 -17.801 -6.709 755 1HB SER 100 1HB SER 100 3.928 -17.296 -4.243 756 2HB SER 100 2HB SER 100 5.367 -16.806 -5.152 757 HG SER 100 HG SER 100 4.785 -15.132 -3.836 758 H THR 101 H THR 101 1.813 -14.938 -6.524 759 HA THR 101 HA THR 101 -0.334 -16.383 -5.161 760 HB THR 101 HB THR 101 -0.329 -13.552 -6.262 761 HG1 THR 101 HG1 THR 101 1.131 -13.398 -4.779 762 1HG2 THR 101 1HG2 THR 101 -2.012 -14.978 -4.145 763 2HG2 THR 101 2HG2 THR 101 -2.133 -13.258 -4.580 764 3HG2 THR 101 3HG2 THR 101 -2.570 -14.494 -5.767 765 HA PRO 102 HA PRO 102 -1.463 -17.750 -9.279 766 1HB PRO 102 1HB PRO 102 -3.784 -19.108 -8.758 767 2HB PRO 102 2HB PRO 102 -2.146 -19.719 -8.353 768 1HG PRO 102 1HG PRO 102 -4.107 -18.328 -6.514 769 2HG PRO 102 2HG PRO 102 -3.150 -19.821 -6.217 770 1HD PRO 102 1HD PRO 102 -2.358 -17.357 -5.325 771 2HD PRO 102 2HD PRO 102 -1.182 -18.603 -5.847 772 H ALA 103 H ALA 103 -2.743 -16.968 -10.870 773 HA ALA 103 HA ALA 103 -3.637 -14.286 -10.515 774 1HB ALA 103 1HB ALA 103 -3.739 -16.153 -12.922 775 2HB ALA 103 2HB ALA 103 -2.396 -15.073 -12.481 776 3HB ALA 103 3HB ALA 103 -3.958 -14.394 -12.956 777 H ASN 104 H ASN 104 -5.300 -14.629 -8.989 778 HA ASN 104 HA ASN 104 -7.497 -16.262 -9.181 779 1HB ASN 104 1HB ASN 104 -6.747 -14.761 -7.188 780 2HB ASN 104 2HB ASN 104 -7.734 -13.525 -7.945 781 1HD2 ASN 104 1HD2 ASN 104 -9.638 -13.512 -6.864 782 2HD2 ASN 104 2HD2 ASN 104 -10.537 -14.956 -6.353 783 H ASP 105 H ASP 105 -9.674 -16.033 -9.610 784 HA ASP 105 HA ASP 105 -10.526 -14.821 -11.940 785 1HB ASP 105 1HB ASP 105 -11.520 -16.721 -10.680 786 2HB ASP 105 2HB ASP 105 -12.138 -15.574 -9.480 787 H ASP 106 H ASP 106 -10.408 -13.778 -8.616 788 HA ASP 106 HA ASP 106 -11.924 -11.232 -9.179 789 1HB ASP 106 1HB ASP 106 -12.418 -12.806 -7.001 790 2HB ASP 106 2HB ASP 106 -11.032 -12.026 -6.466 791 H LYS 107 H LYS 107 -10.653 -9.386 -9.488 792 HA LYS 107 HA LYS 107 -7.844 -9.460 -9.270 793 1HB LYS 107 1HB LYS 107 -9.629 -7.790 -10.524 794 2HB LYS 107 2HB LYS 107 -9.274 -6.815 -9.120 795 1HG LYS 107 1HG LYS 107 -7.545 -6.100 -10.406 796 2HG LYS 107 2HG LYS 107 -6.732 -7.481 -9.651 797 1HD LYS 107 1HD LYS 107 -6.510 -8.570 -11.626 798 2HD LYS 107 2HD LYS 107 -8.178 -8.274 -12.110 799 1HE LYS 107 1HE LYS 107 -7.607 -5.944 -12.744 800 2HE LYS 107 2HE LYS 107 -5.930 -6.217 -12.279 801 1HZ LYS 107 1HZ LYS 107 -7.333 -7.633 -14.476 802 2HZ LYS 107 2HZ LYS 107 -6.286 -6.418 -14.646 803 3HZ LYS 107 3HZ LYS 107 -5.748 -7.853 -14.044 804 H CYS 108 H CYS 108 -10.375 -8.092 -7.118 805 HA CYS 108 HA CYS 108 -8.604 -6.831 -5.281 806 1HB CYS 108 1HB CYS 108 -11.321 -8.067 -4.687 807 2HB CYS 108 2HB CYS 108 -10.402 -6.961 -3.712 808 H ILE 109 H ILE 109 -10.086 -10.151 -5.237 809 HA ILE 109 HA ILE 109 -8.758 -10.915 -2.813 810 HB ILE 109 HB ILE 109 -9.926 -12.651 -5.036 811 1HG1 ILE 109 1HG1 ILE 109 -11.023 -11.723 -2.374 812 2HG1 ILE 109 2HG1 ILE 109 -11.530 -11.098 -3.927 813 1HG2 ILE 109 1HG2 ILE 109 -9.017 -13.450 -2.266 814 2HG2 ILE 109 2HG2 ILE 109 -9.912 -14.479 -3.409 815 3HG2 ILE 109 3HG2 ILE 109 -8.286 -13.931 -3.814 816 1HD1 ILE 109 1HD1 ILE 109 -12.274 -13.428 -4.571 817 2HD1 ILE 109 2HD1 ILE 109 -12.070 -13.841 -2.846 818 3HD1 ILE 109 3HD1 ILE 109 -13.203 -12.559 -3.333 819 H TRP 110 H TRP 110 -7.735 -11.284 -6.241 820 HA TRP 110 HA TRP 110 -5.236 -12.522 -5.740 821 1HB TRP 110 1HB TRP 110 -6.077 -12.185 -8.001 822 2HB TRP 110 2HB TRP 110 -5.994 -10.451 -7.859 823 HD1 TRP 110 HD1 TRP 110 -3.750 -13.550 -8.074 824 HE1 TRP 110 HE1 TRP 110 -1.487 -12.924 -9.099 825 HE3 TRP 110 HE3 TRP 110 -4.242 -8.468 -7.958 826 HZ2 TRP 110 HZ2 TRP 110 -0.163 -10.487 -9.998 827 HZ3 TRP 110 HZ3 TRP 110 -2.397 -7.013 -8.811 828 HH2 TRP 110 HH2 TRP 110 -0.462 -7.993 -9.895 829 H THR 111 H THR 111 -5.959 -9.003 -5.887 830 HA THR 111 HA THR 111 -3.453 -8.049 -5.195 831 HB THR 111 HB THR 111 -6.158 -6.796 -4.572 832 HG1 THR 111 HG1 THR 111 -6.094 -7.311 -6.718 833 1HG2 THR 111 1HG2 THR 111 -3.427 -5.544 -5.075 834 2HG2 THR 111 2HG2 THR 111 -4.955 -4.657 -5.002 835 3HG2 THR 111 3HG2 THR 111 -4.355 -5.493 -3.558 836 H LEU 112 H LEU 112 -6.072 -9.153 -2.920 837 HA LEU 112 HA LEU 112 -4.836 -8.232 -0.555 838 1HB LEU 112 1HB LEU 112 -7.195 -8.768 -0.806 839 2HB LEU 112 2HB LEU 112 -6.841 -10.427 -1.198 840 HG LEU 112 HG LEU 112 -7.797 -10.029 1.000 841 1HD1 LEU 112 1HD1 LEU 112 -6.431 -12.005 0.424 842 2HD1 LEU 112 2HD1 LEU 112 -5.095 -11.285 1.340 843 3HD1 LEU 112 3HD1 LEU 112 -6.623 -11.633 2.183 844 1HD2 LEU 112 1HD2 LEU 112 -6.392 -7.899 1.496 845 2HD2 LEU 112 2HD2 LEU 112 -6.852 -8.998 2.815 846 3HD2 LEU 112 3HD2 LEU 112 -5.224 -9.076 2.158 847 H GLY 113 H GLY 113 -4.776 -11.361 -2.321 848 1HA GLY 113 1HA GLY 113 -3.306 -13.122 -2.284 849 2HA GLY 113 2HA GLY 113 -3.029 -12.779 -0.567 850 H VAL 114 H VAL 114 -2.339 -10.842 -3.516 851 HA VAL 114 HA VAL 114 0.452 -11.144 -3.701 852 HB VAL 114 HB VAL 114 -1.520 -9.010 -4.551 853 1HG1 VAL 114 1HG1 VAL 114 1.401 -9.153 -5.358 854 2HG1 VAL 114 2HG1 VAL 114 0.171 -8.092 -6.073 855 3HG1 VAL 114 3HG1 VAL 114 0.645 -7.857 -4.392 856 1HG2 VAL 114 1HG2 VAL 114 -1.665 -11.216 -5.702 857 2HG2 VAL 114 2HG2 VAL 114 -1.054 -9.952 -6.777 858 3HG2 VAL 114 3HG2 VAL 114 0.059 -11.124 -6.073 859 H ALA 115 H ALA 115 -1.409 -8.421 -2.111 860 HA ALA 115 HA ALA 115 0.945 -7.253 -1.050 861 1HB ALA 115 1HB ALA 115 -0.917 -5.829 -1.226 862 2HB ALA 115 2HB ALA 115 -0.797 -6.115 0.529 863 3HB ALA 115 3HB ALA 115 -1.992 -6.983 -0.457 864 H THR 116 H THR 116 -1.194 -9.761 0.426 865 HA THR 116 HA THR 116 0.193 -9.802 2.949 866 HB THR 116 HB THR 116 -1.397 -11.890 1.413 867 HG1 THR 116 HG1 THR 116 -1.804 -10.122 3.556 868 1HG2 THR 116 1HG2 THR 116 0.231 -13.089 2.870 869 2HG2 THR 116 2HG2 THR 116 -0.333 -12.147 4.264 870 3HG2 THR 116 3HG2 THR 116 -1.416 -13.283 3.417 871 H CYS 117 H CYS 117 0.840 -11.471 -0.191 872 HA CYS 117 HA CYS 117 3.048 -13.000 0.733 873 1HB CYS 117 1HB CYS 117 2.047 -13.454 -1.390 874 2HB CYS 117 2HB CYS 117 2.399 -11.862 -2.004 875 H PHE 118 H PHE 118 2.942 -9.626 -0.660 876 HA PHE 118 HA PHE 118 5.639 -9.163 -0.645 877 1HB PHE 118 1HB PHE 118 3.894 -7.656 -1.512 878 2HB PHE 118 2HB PHE 118 3.404 -7.227 0.121 879 HD1 PHE 118 HD1 PHE 118 6.953 -7.532 -0.038 880 HD2 PHE 118 HD2 PHE 118 3.725 -4.905 -0.972 881 HE1 PHE 118 HE1 PHE 118 8.561 -5.734 -0.441 882 HE2 PHE 118 HE2 PHE 118 5.340 -3.002 -1.154 883 HZ PHE 118 HZ PHE 118 7.709 -3.382 -0.867 884 H LYS 119 H LYS 119 3.529 -8.245 1.953 885 HA LYS 119 HA LYS 119 5.146 -7.588 4.092 886 1HB LYS 119 1HB LYS 119 2.478 -8.043 3.655 887 2HB LYS 119 2HB LYS 119 2.800 -9.406 4.662 888 1HG LYS 119 1HG LYS 119 3.462 -6.529 5.435 889 2HG LYS 119 2HG LYS 119 1.935 -7.332 5.790 890 1HD LYS 119 1HD LYS 119 3.484 -9.151 6.929 891 2HD LYS 119 2HD LYS 119 4.654 -7.802 6.987 892 1HE LYS 119 1HE LYS 119 2.906 -6.398 8.113 893 2HE LYS 119 2HE LYS 119 1.779 -7.753 8.010 894 1HZ LYS 119 1HZ LYS 119 3.464 -9.006 9.361 895 2HZ LYS 119 2HZ LYS 119 4.130 -7.531 9.751 896 3HZ LYS 119 3HZ LYS 119 2.555 -7.884 10.103 897 H ALA 120 H ALA 120 4.109 -10.860 3.202 898 HA ALA 120 HA ALA 120 5.500 -12.253 5.237 899 1HB ALA 120 1HB ALA 120 5.032 -14.262 3.922 900 2HB ALA 120 2HB ALA 120 3.634 -13.169 3.805 901 3HB ALA 120 3HB ALA 120 4.775 -13.313 2.464 902 H GLU 121 H GLU 121 6.540 -11.582 1.824 903 HA GLU 121 HA GLU 121 9.033 -12.914 1.974 904 1HB GLU 121 1HB GLU 121 8.246 -10.413 0.408 905 2HB GLU 121 2HB GLU 121 9.726 -11.296 0.160 906 1HG GLU 121 1HG GLU 121 6.963 -12.517 -0.243 907 2HG GLU 121 2HG GLU 121 8.012 -11.866 -1.505 908 H ILE 122 H ILE 122 8.170 -9.490 2.809 909 HA ILE 122 HA ILE 122 10.748 -8.687 3.498 910 HB ILE 122 HB ILE 122 8.099 -7.865 4.732 911 1HG1 ILE 122 1HG1 ILE 122 9.678 -6.607 2.458 912 2HG1 ILE 122 2HG1 ILE 122 8.260 -7.572 2.247 913 1HG2 ILE 122 1HG2 ILE 122 10.843 -6.540 4.840 914 2HG2 ILE 122 2HG2 ILE 122 9.332 -5.755 5.325 915 3HG2 ILE 122 3HG2 ILE 122 9.911 -7.156 6.212 916 1HD1 ILE 122 1HD1 ILE 122 6.899 -6.020 3.572 917 2HD1 ILE 122 2HD1 ILE 122 8.278 -4.895 3.660 918 3HD1 ILE 122 3HD1 ILE 122 7.567 -5.296 2.105 919 H HIS 123 H HIS 123 8.618 -10.908 5.313 920 HA HIS 123 HA HIS 123 10.110 -10.619 7.766 921 1HB HIS 123 1HB HIS 123 7.791 -11.762 7.423 922 2HB HIS 123 2HB HIS 123 8.727 -13.148 6.864 923 HD1 HIS 123 HD1 HIS 123 9.512 -14.748 8.797 924 HD2 HIS 123 HD2 HIS 123 9.015 -10.714 9.890 925 HE1 HIS 123 HE1 HIS 123 10.004 -14.631 11.281 926 H LYS 124 H LYS 124 10.663 -12.289 4.736 927 HA LYS 124 HA LYS 124 12.861 -13.925 5.741 928 1HB LYS 124 1HB LYS 124 12.269 -15.187 4.056 929 2HB LYS 124 2HB LYS 124 11.039 -14.040 3.605 930 1HG LYS 124 1HG LYS 124 13.129 -12.842 2.397 931 2HG LYS 124 2HG LYS 124 13.744 -14.509 2.423 932 1HD LYS 124 1HD LYS 124 11.424 -15.149 1.465 933 2HD LYS 124 2HD LYS 124 11.184 -13.417 1.209 934 1HE LYS 124 1HE LYS 124 12.370 -13.450 -0.671 935 2HE LYS 124 2HE LYS 124 13.782 -14.114 0.169 936 1HZ LYS 124 1HZ LYS 124 12.760 -16.336 -0.129 937 2HZ LYS 124 2HZ LYS 124 11.504 -15.650 -0.909 938 3HZ LYS 124 3HZ LYS 124 13.019 -15.567 -1.578 939 H LEU 125 H LEU 125 12.461 -10.676 4.337 940 HA LEU 125 HA LEU 125 15.175 -10.315 3.532 941 1HB LEU 125 1HB LEU 125 13.089 -8.370 4.560 942 2HB LEU 125 2HB LEU 125 14.692 -7.829 4.266 943 HG LEU 125 HG LEU 125 13.058 -9.104 2.051 944 1HD1 LEU 125 1HD1 LEU 125 13.418 -6.156 2.789 945 2HD1 LEU 125 2HD1 LEU 125 12.713 -6.756 1.271 946 3HD1 LEU 125 3HD1 LEU 125 11.913 -7.062 2.811 947 1HD2 LEU 125 1HD2 LEU 125 15.637 -7.458 2.184 948 2HD2 LEU 125 2HD2 LEU 125 15.443 -9.125 1.603 949 3HD2 LEU 125 3HD2 LEU 125 14.769 -7.776 0.675 950 H ASN 126 H ASN 126 16.729 -9.033 4.627 951 HA ASN 126 HA ASN 126 17.195 -9.770 7.431 952 1HB ASN 126 1HB ASN 126 19.393 -8.401 6.807 953 2HB ASN 126 2HB ASN 126 19.165 -10.041 6.307 954 1HD2 ASN 126 1HD2 ASN 126 19.175 -6.787 5.209 955 2HD2 ASN 126 2HD2 ASN 126 19.170 -7.106 3.474 956 H TRP 127 H TRP 127 15.492 -7.312 5.979 957 HA TRP 127 HA TRP 127 15.902 -5.554 8.293 958 1HB TRP 127 1HB TRP 127 16.008 -3.546 6.958 959 2HB TRP 127 2HB TRP 127 17.352 -4.576 6.572 960 HD1 TRP 127 HD1 TRP 127 16.744 -6.206 4.203 961 HE1 TRP 127 HE1 TRP 127 15.779 -5.401 1.995 962 HE3 TRP 127 HE3 TRP 127 14.865 -1.666 5.721 963 HZ2 TRP 127 HZ2 TRP 127 14.171 -3.239 1.051 964 HZ3 TRP 127 HZ3 TRP 127 13.670 -0.231 4.091 965 HH2 TRP 127 HH2 TRP 127 13.273 -1.024 1.769 966 H ALA 128 H ALA 128 14.233 -3.865 8.299 967 HA ALA 128 HA ALA 128 11.607 -4.852 7.303 968 1HB ALA 128 1HB ALA 128 12.249 -3.699 10.033 969 2HB ALA 128 2HB ALA 128 11.684 -5.348 9.648 970 3HB ALA 128 3HB ALA 128 10.613 -3.961 9.389 971 HA PRO 129 HA PRO 129 11.994 -0.554 5.660 972 1HB PRO 129 1HB PRO 129 9.436 -1.247 4.376 973 2HB PRO 129 2HB PRO 129 10.949 -0.688 3.619 974 1HG PRO 129 1HG PRO 129 9.995 -3.289 3.400 975 2HG PRO 129 2HG PRO 129 11.730 -2.883 3.359 976 1HD PRO 129 1HD PRO 129 10.120 -3.902 5.661 977 2HD PRO 129 2HD PRO 129 11.789 -4.340 5.146 978 H SER 130 H SER 130 10.552 1.255 6.087 979 HA SER 130 HA SER 130 8.785 1.095 8.362 980 1HB SER 130 1HB SER 130 8.619 3.164 6.173 981 2HB SER 130 2HB SER 130 8.376 3.384 7.900 982 HG SER 130 HG SER 130 10.566 3.400 8.229 983 H MET 131 H MET 131 6.369 1.197 8.227 984 HA MET 131 HA MET 131 5.293 -0.364 6.064 985 1HB MET 131 1HB MET 131 4.167 1.088 8.461 986 2HB MET 131 2HB MET 131 3.105 0.812 7.086 987 1HG MET 131 1HG MET 131 4.136 -1.625 7.182 988 2HG MET 131 2HG MET 131 4.382 -1.218 8.866 989 1HE MET 131 1HE MET 131 2.491 -0.878 10.600 990 2HE MET 131 2HE MET 131 1.986 0.590 9.722 991 3HE MET 131 3HE MET 131 0.791 -0.635 10.203 992 H ASP 132 H ASP 132 5.404 3.210 6.686 993 HA ASP 132 HA ASP 132 3.793 3.915 4.547 994 1HB ASP 132 1HB ASP 132 6.203 5.352 5.665 995 2HB ASP 132 2HB ASP 132 5.040 6.054 4.513 996 H VAL 133 H VAL 133 7.314 3.219 4.441 997 HA VAL 133 HA VAL 133 7.657 3.434 1.642 998 HB VAL 133 HB VAL 133 9.104 1.894 3.820 999 1HG1 VAL 133 1HG1 VAL 133 9.947 2.105 0.912 1000 2HG1 VAL 133 2HG1 VAL 133 10.995 1.577 2.234 1001 3HG1 VAL 133 3HG1 VAL 133 9.572 0.622 1.789 1002 1HG2 VAL 133 1HG2 VAL 133 9.304 4.364 3.905 1003 2HG2 VAL 133 2HG2 VAL 133 10.843 3.620 3.475 1004 3HG2 VAL 133 3HG2 VAL 133 9.863 4.387 2.222 1005 H ALA 134 H ALA 134 7.234 0.302 3.487 1006 HA ALA 134 HA ALA 134 6.981 -1.074 0.973 1007 1HB ALA 134 1HB ALA 134 7.883 -2.122 3.003 1008 2HB ALA 134 2HB ALA 134 6.268 -2.051 3.763 1009 3HB ALA 134 3HB ALA 134 6.551 -3.045 2.304 1010 H VAL 135 H VAL 135 4.472 0.531 2.787 1011 HA VAL 135 HA VAL 135 2.383 -0.937 1.267 1012 HB VAL 135 HB VAL 135 2.046 1.247 3.362 1013 1HG1 VAL 135 1HG1 VAL 135 0.108 0.836 1.793 1014 2HG1 VAL 135 2HG1 VAL 135 0.060 -0.822 2.367 1015 3HG1 VAL 135 3HG1 VAL 135 -0.256 0.523 3.495 1016 1HG2 VAL 135 1HG2 VAL 135 3.063 -0.824 4.439 1017 2HG2 VAL 135 2HG2 VAL 135 1.409 -0.555 4.953 1018 3HG2 VAL 135 3HG2 VAL 135 1.777 -1.792 3.724 1019 H GLY 136 H GLY 136 4.317 1.993 1.178 1020 1HA GLY 136 1HA GLY 136 4.460 3.669 -0.293 1021 2HA GLY 136 2HA GLY 136 2.797 3.453 -0.773 1022 H GLU 137 H GLU 137 5.608 1.175 -0.918 1023 HA GLU 137 HA GLU 137 6.292 1.582 -3.595 1024 1HB GLU 137 1HB GLU 137 6.748 -0.822 -1.821 1025 2HB GLU 137 2HB GLU 137 7.513 -0.563 -3.386 1026 1HG GLU 137 1HG GLU 137 7.772 1.862 -1.759 1027 2HG GLU 137 2HG GLU 137 8.212 0.474 -0.815 1028 H ILE 138 H ILE 138 4.317 -0.943 -2.082 1029 HA ILE 138 HA ILE 138 3.792 -2.367 -4.494 1030 HB ILE 138 HB ILE 138 3.496 -3.342 -2.350 1031 1HG1 ILE 138 1HG1 ILE 138 0.771 -3.433 -3.653 1032 2HG1 ILE 138 2HG1 ILE 138 2.220 -4.130 -4.384 1033 1HG2 ILE 138 1HG2 ILE 138 2.604 -1.472 -1.024 1034 2HG2 ILE 138 2HG2 ILE 138 1.073 -1.542 -1.915 1035 3HG2 ILE 138 3HG2 ILE 138 1.559 -2.877 -0.854 1036 1HD1 ILE 138 1HD1 ILE 138 1.226 -4.962 -1.642 1037 2HD1 ILE 138 2HD1 ILE 138 0.815 -5.785 -3.158 1038 3HD1 ILE 138 3HD1 ILE 138 2.493 -5.732 -2.618 1039 H LEU 139 H LEU 139 2.431 0.625 -3.398 1040 HA LEU 139 HA LEU 139 0.024 0.421 -5.112 1041 1HB LEU 139 1HB LEU 139 1.165 2.604 -3.317 1042 2HB LEU 139 2HB LEU 139 -0.224 2.807 -4.294 1043 HG LEU 139 HG LEU 139 0.141 0.804 -2.008 1044 1HD1 LEU 139 1HD1 LEU 139 -1.566 3.290 -2.360 1045 2HD1 LEU 139 2HD1 LEU 139 -1.710 2.167 -0.987 1046 3HD1 LEU 139 3HD1 LEU 139 -0.205 3.064 -1.242 1047 1HD2 LEU 139 1HD2 LEU 139 -2.264 1.079 -3.786 1048 2HD2 LEU 139 2HD2 LEU 139 -1.247 -0.350 -3.584 1049 3HD2 LEU 139 3HD2 LEU 139 -2.257 0.201 -2.267 1050 H ALA 140 H ALA 140 3.036 2.196 -4.899 1051 HA ALA 140 HA ALA 140 2.988 3.546 -7.396 1052 1HB ALA 140 1HB ALA 140 4.894 3.861 -5.988 1053 2HB ALA 140 2HB ALA 140 5.339 2.146 -6.050 1054 3HB ALA 140 3HB ALA 140 5.474 3.115 -7.490 1055 H GLU 141 H GLU 141 3.352 0.056 -6.767 1056 HA GLU 141 HA GLU 141 4.032 -0.389 -9.572 1057 1HB GLU 141 1HB GLU 141 4.270 -1.909 -6.975 1058 2HB GLU 141 2HB GLU 141 4.652 -2.650 -8.550 1059 1HG GLU 141 1HG GLU 141 6.288 -0.976 -9.042 1060 2HG GLU 141 2HG GLU 141 5.885 -0.009 -7.621 1061 H VAL 142 H VAL 142 1.639 -1.903 -7.295 1062 HA VAL 142 HA VAL 142 0.830 -3.873 -9.170 1063 HB VAL 142 HB VAL 142 -0.213 -2.910 -6.512 1064 1HG1 VAL 142 1HG1 VAL 142 -1.541 -4.983 -8.279 1065 2HG1 VAL 142 2HG1 VAL 142 -1.733 -4.920 -6.512 1066 3HG1 VAL 142 3HG1 VAL 142 -2.271 -3.558 -7.495 1067 1HG2 VAL 142 1HG2 VAL 142 1.849 -4.288 -6.673 1068 2HG2 VAL 142 2HG2 VAL 142 0.548 -5.153 -5.835 1069 3HG2 VAL 142 3HG2 VAL 142 0.944 -5.556 -7.520 No H/Q in entry = 1069 Start of MODEL 11 1 H SER 1 H SER 1 -1.369 22.073 15.583 2 HA SER 1 HA SER 1 -0.427 21.461 12.875 3 1HB SER 1 1HB SER 1 -1.251 23.781 13.078 4 2HB SER 1 2HB SER 1 -0.110 24.060 14.415 5 HG SER 1 HG SER 1 0.433 24.566 11.991 6 H GLN 2 H GLN 2 0.517 21.942 16.131 7 HA GLN 2 HA GLN 2 3.174 20.673 15.802 8 1HB GLN 2 1HB GLN 2 1.479 21.461 18.202 9 2HB GLN 2 2HB GLN 2 3.034 20.633 18.322 10 1HG GLN 2 1HG GLN 2 4.211 22.478 17.290 11 2HG GLN 2 2HG GLN 2 2.689 23.300 16.917 12 1HE2 GLN 2 1HE2 GLN 2 3.136 25.190 18.130 13 2HE2 GLN 2 2HE2 GLN 2 3.338 25.172 19.881 14 H GLU 3 H GLU 3 3.514 18.646 16.846 15 HA GLU 3 HA GLU 3 3.293 16.488 16.937 16 1HB GLU 3 1HB GLU 3 2.295 17.445 19.108 17 2HB GLU 3 2HB GLU 3 0.723 16.866 18.511 18 1HG GLU 3 1HG GLU 3 1.676 14.593 18.295 19 2HG GLU 3 2HG GLU 3 3.261 15.176 18.769 20 H VAL 4 H VAL 4 2.842 16.974 14.534 21 HA VAL 4 HA VAL 4 0.573 15.211 13.722 22 HB VAL 4 HB VAL 4 1.707 17.411 11.964 23 1HG1 VAL 4 1HG1 VAL 4 0.433 15.568 10.877 24 2HG1 VAL 4 2HG1 VAL 4 -0.953 15.928 11.924 25 3HG1 VAL 4 3HG1 VAL 4 -0.386 17.120 10.732 26 1HG2 VAL 4 1HG2 VAL 4 -0.647 17.657 13.859 27 2HG2 VAL 4 2HG2 VAL 4 0.825 18.654 13.794 28 3HG2 VAL 4 3HG2 VAL 4 -0.344 18.743 12.476 29 H MET 5 H MET 5 2.645 13.904 14.557 30 HA MET 5 HA MET 5 4.046 12.879 12.200 31 1HB MET 5 1HB MET 5 5.558 13.726 14.721 32 2HB MET 5 2HB MET 5 6.210 12.835 13.331 33 1HG MET 5 1HG MET 5 5.275 14.856 11.953 34 2HG MET 5 2HG MET 5 5.355 15.697 13.494 35 1HE MET 5 1HE MET 5 7.123 14.231 10.462 36 2HE MET 5 2HE MET 5 8.854 14.236 10.857 37 3HE MET 5 3HE MET 5 7.780 13.039 11.609 38 H LYS 6 H LYS 6 1.857 11.899 13.652 39 HA LYS 6 HA LYS 6 2.516 9.847 15.472 40 1HB LYS 6 1HB LYS 6 0.188 9.047 15.064 41 2HB LYS 6 2HB LYS 6 0.360 10.712 15.561 42 1HG LYS 6 1HG LYS 6 0.279 11.385 13.159 43 2HG LYS 6 2HG LYS 6 -0.116 9.729 12.727 44 1HD LYS 6 1HD LYS 6 -2.180 10.902 12.777 45 2HD LYS 6 2HD LYS 6 -2.157 9.909 14.246 46 1HE LYS 6 1HE LYS 6 -1.376 11.899 15.543 47 2HE LYS 6 2HE LYS 6 -1.367 12.867 14.059 48 1HZ LYS 6 1HZ LYS 6 -3.785 11.630 15.228 49 2HZ LYS 6 2HZ LYS 6 -3.328 13.197 15.403 50 3HZ LYS 6 3HZ LYS 6 -3.736 12.625 13.916 51 H ASN 7 H ASN 7 1.271 7.579 14.546 52 HA ASN 7 HA ASN 7 2.831 6.032 12.847 53 1HB ASN 7 1HB ASN 7 0.976 4.612 12.763 54 2HB ASN 7 2HB ASN 7 0.713 5.454 14.253 55 1HD2 ASN 7 1HD2 ASN 7 -0.239 7.856 12.526 56 2HD2 ASN 7 2HD2 ASN 7 -1.792 7.411 11.954 57 H LEU 8 H LEU 8 2.283 5.339 10.628 58 HA LEU 8 HA LEU 8 2.408 6.001 8.382 59 1HB LEU 8 1HB LEU 8 0.720 4.428 8.965 60 2HB LEU 8 2HB LEU 8 -0.421 5.681 9.410 61 HG LEU 8 HG LEU 8 -0.731 4.427 7.230 62 1HD1 LEU 8 1HD1 LEU 8 -1.752 6.717 7.958 63 2HD1 LEU 8 2HD1 LEU 8 -0.685 7.367 6.712 64 3HD1 LEU 8 3HD1 LEU 8 -1.944 6.171 6.315 65 1HD2 LEU 8 1HD2 LEU 8 1.707 4.674 6.493 66 2HD2 LEU 8 2HD2 LEU 8 0.484 5.018 5.274 67 3HD2 LEU 8 3HD2 LEU 8 1.308 6.349 6.065 68 H SER 9 H SER 9 3.130 7.835 7.532 69 HA SER 9 HA SER 9 1.866 10.431 8.013 70 1HB SER 9 1HB SER 9 4.288 9.465 6.417 71 2HB SER 9 2HB SER 9 3.750 11.147 6.470 72 HG SER 9 HG SER 9 4.714 11.340 8.254 73 H LEU 10 H LEU 10 2.162 8.063 5.315 74 HA LEU 10 HA LEU 10 1.266 9.718 3.294 75 1HB LEU 10 1HB LEU 10 0.880 6.767 3.687 76 2HB LEU 10 2HB LEU 10 0.167 7.569 2.284 77 HG LEU 10 HG LEU 10 3.073 7.039 2.875 78 1HD1 LEU 10 1HD1 LEU 10 1.284 6.455 0.498 79 2HD1 LEU 10 2HD1 LEU 10 3.052 6.199 0.541 80 3HD1 LEU 10 3HD1 LEU 10 2.035 5.302 1.650 81 1HD2 LEU 10 1HD2 LEU 10 1.935 9.100 0.916 82 2HD2 LEU 10 2HD2 LEU 10 3.150 9.376 2.184 83 3HD2 LEU 10 3HD2 LEU 10 3.550 8.427 0.765 84 H ASN 11 H ASN 11 -0.675 10.536 2.484 85 HA ASN 11 HA ASN 11 -2.688 10.675 4.542 86 1HB ASN 11 1HB ASN 11 -1.921 12.605 3.192 87 2HB ASN 11 2HB ASN 11 -2.834 11.955 1.824 88 1HD2 ASN 11 1HD2 ASN 11 -3.459 14.460 2.688 89 2HD2 ASN 11 2HD2 ASN 11 -4.934 14.477 3.639 90 H PHE 12 H PHE 12 -2.852 8.158 4.146 91 HA PHE 12 HA PHE 12 -4.551 7.134 2.126 92 1HB PHE 12 1HB PHE 12 -3.687 6.232 4.875 93 2HB PHE 12 2HB PHE 12 -4.874 5.322 3.971 94 HD1 PHE 12 HD1 PHE 12 -1.328 5.869 4.394 95 HD2 PHE 12 HD2 PHE 12 -4.311 4.687 1.531 96 HE1 PHE 12 HE1 PHE 12 0.436 4.803 3.008 97 HE2 PHE 12 HE2 PHE 12 -2.527 3.739 0.094 98 HZ PHE 12 HZ PHE 12 -0.149 3.805 0.850 99 H GLY 13 H GLY 13 -5.354 8.758 5.226 100 1HA GLY 13 1HA GLY 13 -7.342 9.580 5.934 101 2HA GLY 13 2HA GLY 13 -7.968 7.971 5.527 102 H LYS 14 H LYS 14 -6.886 10.884 3.678 103 HA LYS 14 HA LYS 14 -9.432 11.499 2.551 104 1HB LYS 14 1HB LYS 14 -6.564 12.189 1.983 105 2HB LYS 14 2HB LYS 14 -7.732 12.575 0.743 106 1HG LYS 14 1HG LYS 14 -8.322 13.413 3.584 107 2HG LYS 14 2HG LYS 14 -7.113 14.316 2.675 108 1HD LYS 14 1HD LYS 14 -9.935 13.825 1.600 109 2HD LYS 14 2HD LYS 14 -9.469 15.248 2.574 110 1HE LYS 14 1HE LYS 14 -7.566 15.621 0.870 111 2HE LYS 14 2HE LYS 14 -8.398 14.439 -0.168 112 1HZ LYS 14 1HZ LYS 14 -9.562 16.971 0.827 113 2HZ LYS 14 2HZ LYS 14 -8.990 16.682 -0.678 114 3HZ LYS 14 3HZ LYS 14 -10.303 15.872 -0.202 115 H ALA 15 H ALA 15 -6.662 9.733 1.124 116 HA ALA 15 HA ALA 15 -7.838 9.301 -1.440 117 1HB ALA 15 1HB ALA 15 -5.921 7.453 0.088 118 2HB ALA 15 2HB ALA 15 -6.072 7.654 -1.681 119 3HB ALA 15 3HB ALA 15 -5.403 8.954 -0.671 120 H LEU 16 H LEU 16 -7.968 7.214 1.528 121 HA LEU 16 HA LEU 16 -9.524 5.105 0.380 122 1HB LEU 16 1HB LEU 16 -9.153 6.144 3.203 123 2HB LEU 16 2HB LEU 16 -10.235 4.815 2.860 124 HG LEU 16 HG LEU 16 -7.312 4.743 2.030 125 1HD1 LEU 16 1HD1 LEU 16 -7.502 5.033 4.490 126 2HD1 LEU 16 2HD1 LEU 16 -8.564 3.580 4.549 127 3HD1 LEU 16 3HD1 LEU 16 -6.880 3.433 4.011 128 1HD2 LEU 16 1HD2 LEU 16 -9.366 2.578 2.567 129 2HD2 LEU 16 2HD2 LEU 16 -8.799 3.039 0.949 130 3HD2 LEU 16 3HD2 LEU 16 -7.698 2.281 2.131 131 H ASP 17 H ASP 17 -10.427 8.156 2.104 132 HA ASP 17 HA ASP 17 -13.168 7.557 2.171 133 1HB ASP 17 1HB ASP 17 -11.671 9.491 3.324 134 2HB ASP 17 2HB ASP 17 -12.285 10.438 1.995 135 H GLU 18 H GLU 18 -11.189 8.801 -0.480 136 HA GLU 18 HA GLU 18 -13.625 9.372 -2.063 137 1HB GLU 18 1HB GLU 18 -10.683 9.391 -2.878 138 2HB GLU 18 2HB GLU 18 -12.051 10.031 -3.799 139 1HG GLU 18 1HG GLU 18 -11.964 11.248 -1.142 140 2HG GLU 18 2HG GLU 18 -10.476 11.500 -2.028 141 H CYS 19 H CYS 19 -11.058 6.917 -1.851 142 HA CYS 19 HA CYS 19 -11.750 5.377 -4.111 143 1HB CYS 19 1HB CYS 19 -10.050 5.129 -1.730 144 2HB CYS 19 2HB CYS 19 -10.725 3.622 -2.154 145 H LYS 20 H LYS 20 -12.848 5.013 -0.718 146 HA LYS 20 HA LYS 20 -14.575 2.810 -1.018 147 1HB LYS 20 1HB LYS 20 -15.666 3.564 0.957 148 2HB LYS 20 2HB LYS 20 -13.923 3.805 1.105 149 1HG LYS 20 1HG LYS 20 -14.444 5.751 1.982 150 2HG LYS 20 2HG LYS 20 -14.529 6.269 0.306 151 1HD LYS 20 1HD LYS 20 -16.344 7.177 1.650 152 2HD LYS 20 2HD LYS 20 -17.011 6.132 0.392 153 1HE LYS 20 1HE LYS 20 -17.411 4.342 1.963 154 2HE LYS 20 2HE LYS 20 -16.370 5.081 3.169 155 1HZ LYS 20 1HZ LYS 20 -17.993 6.792 3.530 156 2HZ LYS 20 2HZ LYS 20 -19.023 6.107 2.387 157 3HZ LYS 20 3HZ LYS 20 -18.593 5.327 3.759 158 H LYS 21 H LYS 21 -15.112 6.249 -2.050 159 HA LYS 21 HA LYS 21 -17.957 5.801 -2.386 160 1HB LYS 21 1HB LYS 21 -16.177 7.996 -3.516 161 2HB LYS 21 2HB LYS 21 -17.946 7.953 -3.582 162 1HG LYS 21 1HG LYS 21 -18.058 7.915 -1.099 163 2HG LYS 21 2HG LYS 21 -16.309 7.921 -1.021 164 1HD LYS 21 1HD LYS 21 -16.241 10.121 -2.144 165 2HD LYS 21 2HD LYS 21 -18.007 10.200 -2.102 166 1HE LYS 21 1HE LYS 21 -16.301 9.710 0.368 167 2HE LYS 21 2HE LYS 21 -16.646 11.340 -0.183 168 1HZ LYS 21 1HZ LYS 21 -18.866 9.470 0.375 169 2HZ LYS 21 2HZ LYS 21 -18.120 10.307 1.564 170 3HZ LYS 21 3HZ LYS 21 -18.892 11.105 0.360 171 H GLU 22 H GLU 22 -15.071 5.452 -4.476 172 HA GLU 22 HA GLU 22 -16.569 5.078 -6.885 173 1HB GLU 22 1HB GLU 22 -13.800 3.950 -6.231 174 2HB GLU 22 2HB GLU 22 -14.535 4.157 -7.842 175 1HG GLU 22 1HG GLU 22 -14.699 6.650 -7.298 176 2HG GLU 22 2HG GLU 22 -13.724 6.319 -5.872 177 H MET 23 H MET 23 -15.099 2.643 -4.599 178 HA MET 23 HA MET 23 -16.335 0.535 -6.226 179 1HB MET 23 1HB MET 23 -15.083 -0.417 -3.813 180 2HB MET 23 2HB MET 23 -14.805 -0.847 -5.445 181 1HG MET 23 1HG MET 23 -13.395 1.376 -5.542 182 2HG MET 23 2HG MET 23 -13.498 1.221 -3.764 183 1HE MET 23 1HE MET 23 -11.843 0.068 -7.025 184 2HE MET 23 2HE MET 23 -11.157 -1.514 -6.627 185 3HE MET 23 3HE MET 23 -12.917 -1.330 -6.784 186 H THR 24 H THR 24 -17.487 2.427 -3.748 187 HA THR 24 HA THR 24 -18.856 2.306 -2.056 188 HB THR 24 HB THR 24 -20.326 1.971 -3.987 189 HG1 THR 24 HG1 THR 24 -22.008 1.820 -2.722 190 1HG2 THR 24 1HG2 THR 24 -20.135 -0.940 -3.176 191 2HG2 THR 24 2HG2 THR 24 -21.582 -0.289 -3.976 192 3HG2 THR 24 3HG2 THR 24 -19.994 -0.213 -4.766 193 H LEU 25 H LEU 25 -16.560 0.786 -1.734 194 HA LEU 25 HA LEU 25 -16.921 -1.684 -0.363 195 1HB LEU 25 1HB LEU 25 -15.003 0.429 0.633 196 2HB LEU 25 2HB LEU 25 -14.863 -1.304 0.806 197 HG LEU 25 HG LEU 25 -14.497 0.194 -1.831 198 1HD1 LEU 25 1HD1 LEU 25 -12.565 -1.010 0.218 199 2HD1 LEU 25 2HD1 LEU 25 -12.095 -0.573 -1.422 200 3HD1 LEU 25 3HD1 LEU 25 -12.675 0.689 -0.320 201 1HD2 LEU 25 1HD2 LEU 25 -15.313 -2.162 -2.139 202 2HD2 LEU 25 2HD2 LEU 25 -13.682 -1.863 -2.745 203 3HD2 LEU 25 3HD2 LEU 25 -13.911 -2.728 -1.206 204 H THR 26 H THR 26 -16.426 -1.793 2.158 205 HA THR 26 HA THR 26 -18.835 -0.653 3.402 206 HB THR 26 HB THR 26 -18.116 -2.110 5.322 207 HG1 THR 26 HG1 THR 26 -15.871 -2.155 4.782 208 1HG2 THR 26 1HG2 THR 26 -19.661 -2.945 3.547 209 2HG2 THR 26 2HG2 THR 26 -18.268 -3.559 2.628 210 3HG2 THR 26 3HG2 THR 26 -18.656 -4.238 4.214 211 H ASP 27 H ASP 27 -18.732 0.579 5.466 212 HA ASP 27 HA ASP 27 -16.833 2.638 5.519 213 1HB ASP 27 1HB ASP 27 -19.069 2.496 6.729 214 2HB ASP 27 2HB ASP 27 -18.233 1.582 7.984 215 H ALA 28 H ALA 28 -16.910 -0.344 7.398 216 HA ALA 28 HA ALA 28 -14.913 -0.151 9.136 217 1HB ALA 28 1HB ALA 28 -16.475 -2.067 8.958 218 2HB ALA 28 2HB ALA 28 -14.800 -2.607 9.135 219 3HB ALA 28 3HB ALA 28 -15.575 -2.664 7.544 220 H ILE 29 H ILE 29 -14.206 -0.363 5.732 221 HA ILE 29 HA ILE 29 -11.501 -1.428 5.920 222 HB ILE 29 HB ILE 29 -11.138 -0.737 3.749 223 1HG1 ILE 29 1HG1 ILE 29 -12.891 0.552 2.429 224 2HG1 ILE 29 2HG1 ILE 29 -13.594 1.017 3.988 225 1HG2 ILE 29 1HG2 ILE 29 -12.779 -2.643 4.138 226 2HG2 ILE 29 2HG2 ILE 29 -14.081 -1.497 3.735 227 3HG2 ILE 29 3HG2 ILE 29 -12.816 -1.858 2.550 228 1HD1 ILE 29 1HD1 ILE 29 -10.718 1.489 3.806 229 2HD1 ILE 29 2HD1 ILE 29 -11.694 2.443 2.640 230 3HD1 ILE 29 3HD1 ILE 29 -12.002 2.564 4.382 231 H ASN 30 H ASN 30 -12.969 1.551 6.853 232 HA ASN 30 HA ASN 30 -10.839 3.322 6.735 233 1HB ASN 30 1HB ASN 30 -13.314 3.656 7.580 234 2HB ASN 30 2HB ASN 30 -12.748 3.099 9.143 235 1HD2 ASN 30 1HD2 ASN 30 -12.907 5.718 6.896 236 2HD2 ASN 30 2HD2 ASN 30 -12.196 6.900 7.979 237 H GLU 31 H GLU 31 -11.527 0.736 9.066 238 HA GLU 31 HA GLU 31 -8.983 1.217 10.534 239 1HB GLU 31 1HB GLU 31 -11.222 -0.744 11.190 240 2HB GLU 31 2HB GLU 31 -9.784 -0.391 12.157 241 1HG GLU 31 1HG GLU 31 -11.042 1.042 13.308 242 2HG GLU 31 2HG GLU 31 -10.929 2.130 11.932 243 H ASP 32 H ASP 32 -10.880 -1.335 8.848 244 HA ASP 32 HA ASP 32 -9.075 -3.377 9.363 245 1HB ASP 32 1HB ASP 32 -11.499 -3.495 8.703 246 2HB ASP 32 2HB ASP 32 -11.000 -3.284 7.031 247 H PHE 33 H PHE 33 -8.932 -1.006 6.779 248 HA PHE 33 HA PHE 33 -6.975 -2.282 5.113 249 1HB PHE 33 1HB PHE 33 -8.312 -0.335 4.417 250 2HB PHE 33 2HB PHE 33 -7.562 0.657 5.655 251 HD1 PHE 33 HD1 PHE 33 -6.816 -1.257 2.523 252 HD2 PHE 33 HD2 PHE 33 -5.499 1.796 5.268 253 HE1 PHE 33 HE1 PHE 33 -5.034 -0.573 0.937 254 HE2 PHE 33 HE2 PHE 33 -3.755 2.488 3.661 255 HZ PHE 33 HZ PHE 33 -3.461 1.256 1.527 256 H TYR 34 H TYR 34 -6.774 -0.087 7.897 257 HA TYR 34 HA TYR 34 -3.863 0.154 7.877 258 1HB TYR 34 1HB TYR 34 -5.977 0.864 9.966 259 2HB TYR 34 2HB TYR 34 -4.254 1.052 10.222 260 HD1 TYR 34 HD1 TYR 34 -6.753 1.991 7.506 261 HD2 TYR 34 HD2 TYR 34 -3.444 3.197 9.991 262 HE1 TYR 34 HE1 TYR 34 -6.754 4.189 6.418 263 HE2 TYR 34 HE2 TYR 34 -3.513 5.474 8.978 264 HH TYR 34 HH TYR 34 -5.201 6.906 7.734 265 H ASN 35 H ASN 35 -6.326 -1.763 9.573 266 HA ASN 35 HA ASN 35 -4.611 -3.065 11.409 267 1HB ASN 35 1HB ASN 35 -7.209 -4.098 10.208 268 2HB ASN 35 2HB ASN 35 -6.371 -4.789 11.585 269 1HD2 ASN 35 1HD2 ASN 35 -9.080 -3.757 11.859 270 2HD2 ASN 35 2HD2 ASN 35 -8.960 -2.325 12.873 271 H PHE 36 H PHE 36 -4.995 -3.621 7.963 272 HA PHE 36 HA PHE 36 -4.167 -6.244 7.719 273 1HB PHE 36 1HB PHE 36 -4.903 -4.744 5.895 274 2HB PHE 36 2HB PHE 36 -3.349 -3.908 5.998 275 HD1 PHE 36 HD1 PHE 36 -2.247 -4.300 3.957 276 HD2 PHE 36 HD2 PHE 36 -4.031 -7.629 6.019 277 HE1 PHE 36 HE1 PHE 36 -1.388 -5.826 2.259 278 HE2 PHE 36 HE2 PHE 36 -3.230 -9.158 4.267 279 HZ PHE 36 HZ PHE 36 -1.891 -8.271 2.379 280 H TRP 37 H TRP 37 -2.232 -3.387 8.537 281 HA TRP 37 HA TRP 37 0.332 -4.701 8.120 282 1HB TRP 37 1HB TRP 37 -0.160 -2.103 9.596 283 2HB TRP 37 2HB TRP 37 1.254 -2.576 8.668 284 HD1 TRP 37 HD1 TRP 37 -0.398 -3.341 5.948 285 HE1 TRP 37 HE1 TRP 37 -1.448 -1.529 4.533 286 HE3 TRP 37 HE3 TRP 37 -0.480 0.397 9.435 287 HZ2 TRP 37 HZ2 TRP 37 -2.436 1.157 4.939 288 HZ3 TRP 37 HZ3 TRP 37 -1.480 2.595 8.891 289 HH2 TRP 37 HH2 TRP 37 -2.546 2.977 6.659 290 H LYS 38 H LYS 38 -1.937 -4.879 10.708 291 HA LYS 38 HA LYS 38 -0.073 -4.526 12.873 292 1HB LYS 38 1HB LYS 38 -2.940 -5.592 12.721 293 2HB LYS 38 2HB LYS 38 -2.034 -5.447 14.220 294 1HG LYS 38 1HG LYS 38 -1.696 -3.052 13.817 295 2HG LYS 38 2HG LYS 38 -2.624 -3.138 12.322 296 1HD LYS 38 1HD LYS 38 -4.639 -3.823 13.537 297 2HD LYS 38 2HD LYS 38 -3.737 -3.914 15.054 298 1HE LYS 38 1HE LYS 38 -3.257 -1.521 14.985 299 2HE LYS 38 2HE LYS 38 -4.063 -1.369 13.406 300 1HZ LYS 38 1HZ LYS 38 -5.462 -2.193 15.890 301 2HZ LYS 38 2HZ LYS 38 -5.472 -0.668 15.226 302 3HZ LYS 38 3HZ LYS 38 -6.113 -1.892 14.394 303 H GLU 39 H GLU 39 0.988 -6.023 14.041 304 HA GLU 39 HA GLU 39 1.728 -8.428 12.854 305 1HB GLU 39 1HB GLU 39 2.058 -7.255 15.640 306 2HB GLU 39 2HB GLU 39 2.592 -8.903 15.285 307 1HG GLU 39 1HG GLU 39 4.501 -7.568 15.010 308 2HG GLU 39 2HG GLU 39 3.986 -8.008 13.372 309 H GLY 40 H GLY 40 1.297 -10.556 13.313 310 1HA GLY 40 1HA GLY 40 -0.504 -11.670 15.099 311 2HA GLY 40 2HA GLY 40 -0.060 -12.381 13.559 312 H TYR 41 H TYR 41 -1.530 -9.541 12.562 313 HA TYR 41 HA TYR 41 -4.284 -10.403 12.822 314 1HB TYR 41 1HB TYR 41 -2.880 -8.013 12.653 315 2HB TYR 41 2HB TYR 41 -3.551 -8.136 11.073 316 HD1 TYR 41 HD1 TYR 41 -3.930 -6.992 14.267 317 HD2 TYR 41 HD2 TYR 41 -6.291 -8.782 11.178 318 HE1 TYR 41 HE1 TYR 41 -5.863 -5.658 15.011 319 HE2 TYR 41 HE2 TYR 41 -8.291 -7.539 11.944 320 HH TYR 41 HH TYR 41 -9.034 -5.820 13.233 321 H GLU 42 H GLU 42 -5.230 -11.714 11.277 322 HA GLU 42 HA GLU 42 -3.984 -12.015 8.600 323 1HB GLU 42 1HB GLU 42 -5.256 -13.842 10.600 324 2HB GLU 42 2HB GLU 42 -5.851 -14.044 8.944 325 1HG GLU 42 1HG GLU 42 -4.018 -15.559 9.378 326 2HG GLU 42 2HG GLU 42 -3.640 -14.391 8.117 327 H ILE 43 H ILE 43 -4.991 -10.510 7.266 328 HA ILE 43 HA ILE 43 -7.899 -10.060 7.561 329 HB ILE 43 HB ILE 43 -5.969 -8.292 6.164 330 1HG1 ILE 43 1HG1 ILE 43 -6.531 -6.823 8.047 331 2HG1 ILE 43 2HG1 ILE 43 -7.247 -8.110 8.935 332 1HG2 ILE 43 1HG2 ILE 43 -8.908 -8.017 6.948 333 2HG2 ILE 43 2HG2 ILE 43 -7.904 -6.737 6.257 334 3HG2 ILE 43 3HG2 ILE 43 -8.271 -8.190 5.303 335 1HD1 ILE 43 1HD1 ILE 43 -4.347 -8.285 8.092 336 2HD1 ILE 43 2HD1 ILE 43 -4.888 -7.362 9.520 337 3HD1 ILE 43 3HD1 ILE 43 -5.179 -9.094 9.407 338 H LYS 44 H LYS 44 -8.377 -12.107 6.341 339 HA LYS 44 HA LYS 44 -7.400 -12.188 3.546 340 1HB LYS 44 1HB LYS 44 -9.046 -14.117 5.171 341 2HB LYS 44 2HB LYS 44 -8.710 -14.348 3.456 342 1HG LYS 44 1HG LYS 44 -6.441 -13.903 5.430 343 2HG LYS 44 2HG LYS 44 -7.128 -15.490 5.171 344 1HD LYS 44 1HD LYS 44 -6.239 -13.927 2.740 345 2HD LYS 44 2HD LYS 44 -5.039 -14.660 3.794 346 1HE LYS 44 1HE LYS 44 -6.429 -16.822 3.605 347 2HE LYS 44 2HE LYS 44 -7.238 -16.060 2.232 348 1HZ LYS 44 1HZ LYS 44 -4.312 -16.531 2.490 349 2HZ LYS 44 2HZ LYS 44 -5.315 -17.415 1.577 350 3HZ LYS 44 3HZ LYS 44 -5.035 -15.837 1.189 351 H ASN 45 H ASN 45 -9.526 -10.231 4.871 352 HA ASN 45 HA ASN 45 -11.935 -10.884 3.513 353 1HB ASN 45 1HB ASN 45 -11.658 -9.241 5.543 354 2HB ASN 45 2HB ASN 45 -11.261 -8.008 4.307 355 1HD2 ASN 45 1HD2 ASN 45 -13.180 -6.870 3.757 356 2HD2 ASN 45 2HD2 ASN 45 -14.462 -7.790 2.984 357 H ARG 46 H ARG 46 -13.053 -9.386 1.880 358 HA ARG 46 HA ARG 46 -11.410 -9.501 -0.463 359 1HB ARG 46 1HB ARG 46 -14.274 -8.650 -0.317 360 2HB ARG 46 2HB ARG 46 -13.295 -8.852 -1.717 361 1HG ARG 46 1HG ARG 46 -14.917 -10.681 -0.898 362 2HG ARG 46 2HG ARG 46 -13.476 -10.957 -1.752 363 1HD ARG 46 1HD ARG 46 -12.242 -11.403 0.256 364 2HD ARG 46 2HD ARG 46 -13.834 -11.292 1.135 365 HE ARG 46 HE ARG 46 -13.993 -12.963 -1.177 366 1HH1 ARG 46 1HH1 ARG 46 -13.361 -15.105 -1.543 367 2HH1 ARG 46 2HH1 ARG 46 -12.228 -15.909 -0.533 368 1HH2 ARG 46 1HH2 ARG 46 -12.183 -13.274 1.877 369 2HH2 ARG 46 2HH2 ARG 46 -11.455 -14.779 1.443 370 H GLU 47 H GLU 47 -13.308 -6.967 1.101 371 HA GLU 47 HA GLU 47 -12.652 -4.938 -0.590 372 1HB GLU 47 1HB GLU 47 -13.617 -4.849 2.273 373 2HB GLU 47 2HB GLU 47 -13.494 -3.462 1.216 374 1HG GLU 47 1HG GLU 47 -15.650 -3.961 0.866 375 2HG GLU 47 2HG GLU 47 -14.926 -4.807 -0.478 376 H THR 48 H THR 48 -10.627 -5.990 2.142 377 HA THR 48 HA THR 48 -8.881 -3.848 2.347 378 HB THR 48 HB THR 48 -8.112 -6.805 2.377 379 HG1 THR 48 HG1 THR 48 -8.871 -6.633 4.629 380 1HG2 THR 48 1HG2 THR 48 -6.286 -5.127 2.803 381 2HG2 THR 48 2HG2 THR 48 -7.223 -4.501 4.191 382 3HG2 THR 48 3HG2 THR 48 -6.603 -6.176 4.187 383 H GLY 49 H GLY 49 -8.911 -6.489 -0.072 384 1HA GLY 49 1HA GLY 49 -7.684 -6.814 -2.004 385 2HA GLY 49 2HA GLY 49 -6.430 -5.716 -1.394 386 H CYS 50 H CYS 50 -9.948 -5.272 -2.048 387 HA CYS 50 HA CYS 50 -9.805 -3.763 -4.326 388 1HB CYS 50 1HB CYS 50 -11.705 -3.280 -2.041 389 2HB CYS 50 2HB CYS 50 -11.970 -2.925 -3.712 390 H ALA 51 H ALA 51 -9.604 -2.587 -0.914 391 HA ALA 51 HA ALA 51 -9.310 0.148 -1.563 392 1HB ALA 51 1HB ALA 51 -8.338 0.375 0.750 393 2HB ALA 51 2HB ALA 51 -8.318 -1.399 0.877 394 3HB ALA 51 3HB ALA 51 -9.853 -0.526 0.722 395 H ILE 52 H ILE 52 -6.707 -2.357 -1.014 396 HA ILE 52 HA ILE 52 -4.503 -0.672 -1.520 397 HB ILE 52 HB ILE 52 -4.948 -3.625 -2.043 398 1HG1 ILE 52 1HG1 ILE 52 -3.440 -2.197 0.196 399 2HG1 ILE 52 2HG1 ILE 52 -5.092 -2.779 0.344 400 1HG2 ILE 52 1HG2 ILE 52 -3.039 -2.731 -3.448 401 2HG2 ILE 52 2HG2 ILE 52 -2.261 -2.180 -1.961 402 3HG2 ILE 52 3HG2 ILE 52 -2.539 -3.909 -2.250 403 1HD1 ILE 52 1HD1 ILE 52 -4.300 -5.102 -0.154 404 2HD1 ILE 52 2HD1 ILE 52 -2.630 -4.480 -0.047 405 3HD1 ILE 52 3HD1 ILE 52 -3.696 -4.393 1.362 406 H MET 53 H MET 53 -6.273 -2.756 -3.861 407 HA MET 53 HA MET 53 -4.918 -2.032 -6.160 408 1HB MET 53 1HB MET 53 -6.397 -3.958 -5.891 409 2HB MET 53 2HB MET 53 -7.776 -2.936 -5.660 410 1HG MET 53 1HG MET 53 -6.309 -2.494 -8.209 411 2HG MET 53 2HG MET 53 -6.928 -4.117 -7.981 412 1HE MET 53 1HE MET 53 -9.409 -4.676 -7.521 413 2HE MET 53 2HE MET 53 -9.885 -3.427 -6.338 414 3HE MET 53 3HE MET 53 -10.796 -3.604 -7.834 415 H CYS 54 H CYS 54 -7.904 -0.458 -4.858 416 HA CYS 54 HA CYS 54 -8.085 1.522 -6.961 417 1HB CYS 54 1HB CYS 54 -9.936 0.892 -5.536 418 2HB CYS 54 2HB CYS 54 -9.088 1.437 -4.086 419 H LEU 55 H LEU 55 -6.469 1.466 -3.756 420 HA LEU 55 HA LEU 55 -5.634 4.201 -3.884 421 1HB LEU 55 1HB LEU 55 -4.766 1.780 -2.267 422 2HB LEU 55 2HB LEU 55 -3.922 3.309 -2.112 423 HG LEU 55 HG LEU 55 -6.953 3.050 -1.706 424 1HD1 LEU 55 1HD1 LEU 55 -4.594 2.810 0.177 425 2HD1 LEU 55 2HD1 LEU 55 -6.189 3.293 0.749 426 3HD1 LEU 55 3HD1 LEU 55 -5.967 1.726 -0.028 427 1HD2 LEU 55 1HD2 LEU 55 -4.937 5.258 -1.156 428 2HD2 LEU 55 2HD2 LEU 55 -6.312 5.300 -2.275 429 3HD2 LEU 55 3HD2 LEU 55 -6.615 5.229 -0.538 430 H SER 56 H SER 56 -4.272 1.304 -5.341 431 HA SER 56 HA SER 56 -1.655 2.154 -5.634 432 1HB SER 56 1HB SER 56 -1.397 0.519 -7.203 433 2HB SER 56 2HB SER 56 -2.685 -0.157 -6.270 434 HG SER 56 HG SER 56 -4.093 0.133 -7.790 435 H THR 57 H THR 57 -4.434 3.607 -6.980 436 HA THR 57 HA THR 57 -2.800 5.234 -8.846 437 HB THR 57 HB THR 57 -3.938 3.459 -10.024 438 HG1 THR 57 HG1 THR 57 -3.666 5.307 -11.103 439 1HG2 THR 57 1HG2 THR 57 -6.541 4.616 -8.979 440 2HG2 THR 57 2HG2 THR 57 -6.353 3.384 -10.257 441 3HG2 THR 57 3HG2 THR 57 -5.850 3.013 -8.612 442 H LYS 58 H LYS 58 -3.446 5.605 -6.115 443 HA LYS 58 HA LYS 58 -4.716 8.306 -6.315 444 1HB LYS 58 1HB LYS 58 -4.916 6.209 -4.102 445 2HB LYS 58 2HB LYS 58 -5.416 7.872 -3.863 446 1HG LYS 58 1HG LYS 58 -6.612 6.418 -6.209 447 2HG LYS 58 2HG LYS 58 -7.206 6.031 -4.588 448 1HD LYS 58 1HD LYS 58 -7.812 8.249 -4.137 449 2HD LYS 58 2HD LYS 58 -7.202 8.777 -5.709 450 1HE LYS 58 1HE LYS 58 -9.341 6.639 -5.178 451 2HE LYS 58 2HE LYS 58 -9.658 8.294 -5.593 452 1HZ LYS 58 1HZ LYS 58 -8.239 6.442 -7.432 453 2HZ LYS 58 2HZ LYS 58 -9.850 6.710 -7.451 454 3HZ LYS 58 3HZ LYS 58 -8.817 7.934 -7.807 455 H LEU 59 H LEU 59 -1.830 7.226 -6.447 456 HA LEU 59 HA LEU 59 -0.410 7.810 -4.098 457 1HB LEU 59 1HB LEU 59 0.613 8.474 -6.861 458 2HB LEU 59 2HB LEU 59 1.538 7.995 -5.455 459 HG LEU 59 HG LEU 59 -0.349 6.227 -7.057 460 1HD1 LEU 59 1HD1 LEU 59 1.731 6.915 -8.245 461 2HD1 LEU 59 2HD1 LEU 59 2.684 6.139 -6.959 462 3HD1 LEU 59 3HD1 LEU 59 1.580 5.180 -7.980 463 1HD2 LEU 59 1HD2 LEU 59 -0.210 5.457 -4.689 464 2HD2 LEU 59 2HD2 LEU 59 0.548 4.327 -5.812 465 3HD2 LEU 59 3HD2 LEU 59 1.563 5.398 -4.834 466 H ASN 60 H ASN 60 -1.604 10.065 -6.603 467 HA ASN 60 HA ASN 60 -0.421 12.487 -5.705 468 1HB ASN 60 1HB ASN 60 -1.653 12.570 -7.747 469 2HB ASN 60 2HB ASN 60 -3.080 11.809 -7.042 470 1HD2 ASN 60 1HD2 ASN 60 -4.699 13.160 -6.154 471 2HD2 ASN 60 2HD2 ASN 60 -4.483 14.873 -5.978 472 H MET 61 H MET 61 -3.188 10.730 -4.367 473 HA MET 61 HA MET 61 -4.159 12.932 -2.735 474 1HB MET 61 1HB MET 61 -4.629 9.944 -2.473 475 2HB MET 61 2HB MET 61 -5.565 11.200 -1.694 476 1HG MET 61 1HG MET 61 -5.368 10.745 -4.703 477 2HG MET 61 2HG MET 61 -6.675 10.172 -3.666 478 1HE MET 61 1HE MET 61 -8.281 11.624 -2.363 479 2HE MET 61 2HE MET 61 -7.196 12.885 -1.720 480 3HE MET 61 3HE MET 61 -8.614 13.329 -2.685 481 H LEU 62 H LEU 62 -2.048 10.084 -2.396 482 HA LEU 62 HA LEU 62 -1.867 10.133 0.463 483 1HB LEU 62 1HB LEU 62 -0.191 8.706 -1.665 484 2HB LEU 62 2HB LEU 62 -0.268 8.276 0.027 485 HG LEU 62 HG LEU 62 -2.674 8.232 -1.808 486 1HD1 LEU 62 1HD1 LEU 62 -1.005 6.588 -2.525 487 2HD1 LEU 62 2HD1 LEU 62 -1.040 5.864 -0.912 488 3HD1 LEU 62 3HD1 LEU 62 -2.488 5.849 -1.953 489 1HD2 LEU 62 1HD2 LEU 62 -2.199 7.184 0.991 490 2HD2 LEU 62 2HD2 LEU 62 -3.334 8.453 0.473 491 3HD2 LEU 62 3HD2 LEU 62 -3.615 6.779 -0.012 492 H ASP 63 H ASP 63 0.203 11.058 -2.244 493 HA ASP 63 HA ASP 63 2.022 12.572 -0.453 494 1HB ASP 63 1HB ASP 63 3.071 10.540 -1.309 495 2HB ASP 63 2HB ASP 63 2.761 11.072 -2.974 496 HA PRO 64 HA PRO 64 -0.047 15.545 -3.275 497 1HB PRO 64 1HB PRO 64 0.568 17.816 -1.828 498 2HB PRO 64 2HB PRO 64 -0.838 16.747 -1.470 499 1HG PRO 64 1HG PRO 64 1.901 16.837 -0.180 500 2HG PRO 64 2HG PRO 64 0.307 16.669 0.618 501 1HD PRO 64 1HD PRO 64 1.908 14.537 0.136 502 2HD PRO 64 2HD PRO 64 0.132 14.399 -0.020 503 H GLU 65 H GLU 65 3.243 15.636 -2.115 504 HA GLU 65 HA GLU 65 4.299 17.619 -3.920 505 1HB GLU 65 1HB GLU 65 5.785 15.186 -2.898 506 2HB GLU 65 2HB GLU 65 6.454 16.680 -3.522 507 1HG GLU 65 1HG GLU 65 5.611 17.900 -1.566 508 2HG GLU 65 2HG GLU 65 4.789 16.434 -1.001 509 H GLY 66 H GLY 66 3.333 14.236 -4.218 510 1HA GLY 66 1HA GLY 66 3.612 14.143 -7.095 511 2HA GLY 66 2HA GLY 66 3.032 12.882 -6.000 512 H ASN 67 H ASN 67 5.537 13.384 -4.259 513 HA ASN 67 HA ASN 67 7.917 12.691 -5.806 514 1HB ASN 67 1HB ASN 67 7.219 12.896 -2.888 515 2HB ASN 67 2HB ASN 67 8.438 11.688 -3.297 516 1HD2 ASN 67 1HD2 ASN 67 7.776 15.156 -3.331 517 2HD2 ASN 67 2HD2 ASN 67 9.459 15.598 -3.417 518 H LEU 68 H LEU 68 5.287 10.915 -4.266 519 HA LEU 68 HA LEU 68 6.564 8.313 -4.760 520 1HB LEU 68 1HB LEU 68 5.080 8.561 -2.836 521 2HB LEU 68 2HB LEU 68 3.739 9.044 -3.887 522 HG LEU 68 HG LEU 68 3.656 6.846 -4.925 523 1HD1 LEU 68 1HD1 LEU 68 6.185 6.270 -3.354 524 2HD1 LEU 68 2HD1 LEU 68 5.165 4.987 -4.014 525 3HD1 LEU 68 3HD1 LEU 68 5.921 6.140 -5.109 526 1HD2 LEU 68 1HD2 LEU 68 3.924 6.675 -1.902 527 2HD2 LEU 68 2HD2 LEU 68 2.458 7.076 -2.846 528 3HD2 LEU 68 3HD2 LEU 68 3.198 5.449 -2.962 529 H HIS 69 H HIS 69 6.996 8.299 -6.966 530 HA HIS 69 HA HIS 69 4.870 8.887 -8.931 531 1HB HIS 69 1HB HIS 69 7.506 7.560 -9.465 532 2HB HIS 69 2HB HIS 69 6.519 8.337 -10.628 533 HD1 HIS 69 HD1 HIS 69 8.904 9.684 -11.296 534 HD2 HIS 69 HD2 HIS 69 6.970 10.683 -7.719 535 HE1 HIS 69 HE1 HIS 69 9.993 11.812 -10.433 536 H HIS 70 H HIS 70 4.135 7.264 -10.281 537 HA HIS 70 HA HIS 70 3.856 4.524 -9.241 538 1HB HIS 70 1HB HIS 70 1.960 5.356 -10.409 539 2HB HIS 70 2HB HIS 70 2.925 5.920 -11.746 540 HD1 HIS 70 HD1 HIS 70 3.674 4.093 -13.614 541 HD2 HIS 70 HD2 HIS 70 1.160 2.834 -10.498 542 HE1 HIS 70 HE1 HIS 70 2.722 1.855 -14.338 543 H GLY 71 H GLY 71 5.152 2.879 -9.738 544 1HA GLY 71 1HA GLY 71 6.692 2.497 -12.018 545 2HA GLY 71 2HA GLY 71 6.879 1.660 -10.473 546 H ASN 72 H ASN 72 7.552 4.535 -9.278 547 HA ASN 72 HA ASN 72 10.409 4.222 -9.739 548 1HB ASN 72 1HB ASN 72 9.421 5.710 -11.719 549 2HB ASN 72 2HB ASN 72 9.350 6.967 -10.508 550 1HD2 ASN 72 1HD2 ASN 72 11.234 8.259 -10.690 551 2HD2 ASN 72 2HD2 ASN 72 12.790 7.517 -10.984 552 H ALA 73 H ALA 73 9.217 3.856 -7.346 553 HA ALA 73 HA ALA 73 8.633 6.300 -5.893 554 1HB ALA 73 1HB ALA 73 7.952 4.725 -4.136 555 2HB ALA 73 2HB ALA 73 8.642 3.382 -5.047 556 3HB ALA 73 3HB ALA 73 7.246 4.245 -5.708 557 H MET 74 H MET 74 11.511 5.653 -6.762 558 HA MET 74 HA MET 74 12.967 4.498 -4.523 559 1HB MET 74 1HB MET 74 13.657 5.799 -7.181 560 2HB MET 74 2HB MET 74 14.928 5.548 -5.992 561 1HG MET 74 1HG MET 74 13.140 3.252 -6.825 562 2HG MET 74 2HG MET 74 14.534 3.739 -7.789 563 1HE MET 74 1HE MET 74 15.523 1.285 -7.599 564 2HE MET 74 2HE MET 74 15.835 0.468 -6.056 565 3HE MET 74 3HE MET 74 14.165 0.783 -6.566 566 H GLU 75 H GLU 75 12.410 7.778 -5.819 567 HA GLU 75 HA GLU 75 14.275 9.008 -3.935 568 1HB GLU 75 1HB GLU 75 12.181 10.092 -5.839 569 2HB GLU 75 2HB GLU 75 12.918 11.127 -4.656 570 1HG GLU 75 1HG GLU 75 14.464 9.547 -6.733 571 2HG GLU 75 2HG GLU 75 13.984 11.236 -6.893 572 H PHE 76 H PHE 76 10.669 8.576 -4.023 573 HA PHE 76 HA PHE 76 10.139 9.777 -1.510 574 1HB PHE 76 1HB PHE 76 8.292 9.315 -2.870 575 2HB PHE 76 2HB PHE 76 8.831 7.692 -3.243 576 HD1 PHE 76 HD1 PHE 76 7.343 9.778 -0.447 577 HD2 PHE 76 HD2 PHE 76 8.263 5.844 -1.949 578 HE1 PHE 76 HE1 PHE 76 5.780 8.804 1.176 579 HE2 PHE 76 HE2 PHE 76 6.671 4.857 -0.285 580 HZ PHE 76 HZ PHE 76 5.423 6.364 1.264 581 H ALA 77 H ALA 77 10.885 6.288 -2.279 582 HA ALA 77 HA ALA 77 10.866 5.413 0.365 583 1HB ALA 77 1HB ALA 77 10.933 3.966 -1.671 584 2HB ALA 77 2HB ALA 77 12.097 3.478 -0.451 585 3HB ALA 77 3HB ALA 77 12.647 4.376 -1.882 586 H LYS 78 H LYS 78 13.589 6.922 -1.431 587 HA LYS 78 HA LYS 78 15.542 6.663 0.623 588 1HB LYS 78 1HB LYS 78 15.154 8.609 -1.676 589 2HB LYS 78 2HB LYS 78 16.447 8.852 -0.509 590 1HG LYS 78 1HG LYS 78 17.394 6.693 -0.968 591 2HG LYS 78 2HG LYS 78 16.058 6.243 -2.017 592 1HD LYS 78 1HD LYS 78 16.795 7.521 -3.778 593 2HD LYS 78 2HD LYS 78 17.574 8.739 -2.756 594 1HE LYS 78 1HE LYS 78 18.601 5.887 -2.949 595 2HE LYS 78 2HE LYS 78 19.104 7.130 -4.105 596 1HZ LYS 78 1HZ LYS 78 19.365 7.618 -1.227 597 2HZ LYS 78 2HZ LYS 78 20.487 6.722 -1.999 598 3HZ LYS 78 3HZ LYS 78 20.217 8.293 -2.474 599 H LYS 79 H LYS 79 12.808 8.959 0.420 600 HA LYS 79 HA LYS 79 13.735 10.768 2.444 601 1HB LYS 79 1HB LYS 79 10.897 9.978 1.779 602 2HB LYS 79 2HB LYS 79 11.419 11.313 2.785 603 1HG LYS 79 1HG LYS 79 12.740 12.202 0.752 604 2HG LYS 79 2HG LYS 79 11.841 11.011 -0.202 605 1HD LYS 79 1HD LYS 79 9.727 11.963 0.660 606 2HD LYS 79 2HD LYS 79 10.646 13.178 1.569 607 1HE LYS 79 1HE LYS 79 11.635 14.008 -0.560 608 2HE LYS 79 2HE LYS 79 10.630 12.866 -1.458 609 1HZ LYS 79 1HZ LYS 79 9.567 14.992 0.312 610 2HZ LYS 79 2HZ LYS 79 9.652 15.118 -1.311 611 3HZ LYS 79 3HZ LYS 79 8.674 13.991 -0.583 612 H HIS 80 H HIS 80 12.625 7.432 2.702 613 HA HIS 80 HA HIS 80 12.356 7.803 5.658 614 1HB HIS 80 1HB HIS 80 11.369 5.450 4.113 615 2HB HIS 80 2HB HIS 80 10.857 6.004 5.703 616 HD1 HIS 80 HD1 HIS 80 8.570 7.487 5.611 617 HD2 HIS 80 HD2 HIS 80 10.632 7.028 1.994 618 HE1 HIS 80 HE1 HIS 80 7.118 8.564 3.731 619 H GLY 81 H GLY 81 14.781 7.283 3.684 620 1HA GLY 81 1HA GLY 81 16.235 5.720 5.620 621 2HA GLY 81 2HA GLY 81 16.832 6.579 4.188 622 H ALA 82 H ALA 82 14.655 4.806 2.743 623 HA ALA 82 HA ALA 82 15.913 2.150 2.740 624 1HB ALA 82 1HB ALA 82 14.469 1.713 0.786 625 2HB ALA 82 2HB ALA 82 13.505 2.420 2.097 626 3HB ALA 82 3HB ALA 82 14.024 3.420 0.723 627 H ASP 83 H ASP 83 17.867 1.676 1.621 628 HA ASP 83 HA ASP 83 18.928 3.626 -0.305 629 1HB ASP 83 1HB ASP 83 20.692 1.839 -0.569 630 2HB ASP 83 2HB ASP 83 20.596 2.627 0.960 631 H GLU 84 H GLU 84 19.928 2.138 -2.279 632 HA GLU 84 HA GLU 84 17.677 1.739 -4.010 633 1HB GLU 84 1HB GLU 84 19.370 2.367 -5.350 634 2HB GLU 84 2HB GLU 84 20.611 1.874 -4.196 635 1HG GLU 84 1HG GLU 84 20.579 -0.388 -4.941 636 2HG GLU 84 2HG GLU 84 19.170 -0.101 -5.997 637 H THR 85 H THR 85 19.961 -0.514 -2.339 638 HA THR 85 HA THR 85 18.813 -2.814 -3.593 639 HB THR 85 HB THR 85 20.559 -2.397 -1.117 640 HG1 THR 85 HG1 THR 85 22.124 -2.331 -2.452 641 1HG2 THR 85 1HG2 THR 85 19.909 -4.979 -2.574 642 2HG2 THR 85 2HG2 THR 85 21.245 -4.779 -1.403 643 3HG2 THR 85 3HG2 THR 85 19.563 -4.582 -0.879 644 H MET 86 H MET 86 18.120 -1.081 -0.530 645 HA MET 86 HA MET 86 16.285 -2.970 0.560 646 1HB MET 86 1HB MET 86 16.816 0.025 0.749 647 2HB MET 86 2HB MET 86 15.382 -0.624 1.488 648 1HG MET 86 1HG MET 86 16.750 -2.158 2.853 649 2HG MET 86 2HG MET 86 18.216 -1.482 2.136 650 1HE MET 86 1HE MET 86 17.278 -1.728 5.233 651 2HE MET 86 2HE MET 86 18.894 -1.137 4.782 652 3HE MET 86 3HE MET 86 17.877 -0.199 5.912 653 H ALA 87 H ALA 87 15.750 -0.098 -1.582 654 HA ALA 87 HA ALA 87 12.895 -0.566 -1.727 655 1HB ALA 87 1HB ALA 87 13.900 1.616 -2.302 656 2HB ALA 87 2HB ALA 87 14.787 0.860 -3.650 657 3HB ALA 87 3HB ALA 87 13.006 0.955 -3.681 658 H GLN 88 H GLN 88 15.630 -1.456 -3.917 659 HA GLN 88 HA GLN 88 14.006 -2.724 -5.798 660 1HB GLN 88 1HB GLN 88 16.502 -2.056 -5.981 661 2HB GLN 88 2HB GLN 88 16.848 -3.595 -5.195 662 1HG GLN 88 1HG GLN 88 16.989 -3.854 -7.614 663 2HG GLN 88 2HG GLN 88 15.616 -4.769 -7.025 664 1HE2 GLN 88 1HE2 GLN 88 13.512 -4.212 -7.779 665 2HE2 GLN 88 2HE2 GLN 88 13.274 -2.921 -8.980 666 H GLN 89 H GLN 89 15.370 -4.090 -2.796 667 HA GLN 89 HA GLN 89 14.653 -6.790 -3.112 668 1HB GLN 89 1HB GLN 89 15.054 -4.846 -0.856 669 2HB GLN 89 2HB GLN 89 14.128 -6.253 -0.441 670 1HG GLN 89 1HG GLN 89 16.851 -6.337 -1.786 671 2HG GLN 89 2HG GLN 89 16.598 -6.399 -0.041 672 1HE2 GLN 89 1HE2 GLN 89 17.924 -8.409 -1.261 673 2HE2 GLN 89 2HE2 GLN 89 16.919 -9.774 -1.643 674 H LEU 90 H LEU 90 12.628 -4.031 -1.927 675 HA LEU 90 HA LEU 90 10.375 -5.776 -1.383 676 1HB LEU 90 1HB LEU 90 10.572 -2.770 -1.832 677 2HB LEU 90 2HB LEU 90 9.158 -3.574 -1.229 678 HG LEU 90 HG LEU 90 11.877 -3.408 0.145 679 1HD1 LEU 90 1HD1 LEU 90 10.678 -1.256 -0.065 680 2HD1 LEU 90 2HD1 LEU 90 9.280 -1.942 0.781 681 3HD1 LEU 90 3HD1 LEU 90 10.848 -1.756 1.612 682 1HD2 LEU 90 1HD2 LEU 90 10.443 -5.457 0.813 683 2HD2 LEU 90 2HD2 LEU 90 11.054 -4.416 2.096 684 3HD2 LEU 90 3HD2 LEU 90 9.377 -4.269 1.617 685 H ILE 91 H ILE 91 11.413 -3.925 -4.142 686 HA ILE 91 HA ILE 91 8.950 -4.176 -5.620 687 HB ILE 91 HB ILE 91 11.777 -3.432 -6.431 688 1HG1 ILE 91 1HG1 ILE 91 9.467 -1.498 -5.934 689 2HG1 ILE 91 2HG1 ILE 91 10.469 -2.013 -4.604 690 1HG2 ILE 91 1HG2 ILE 91 9.147 -2.983 -7.906 691 2HG2 ILE 91 2HG2 ILE 91 10.698 -2.258 -8.367 692 3HG2 ILE 91 3HG2 ILE 91 10.495 -4.016 -8.437 693 1HD1 ILE 91 1HD1 ILE 91 12.504 -1.257 -5.929 694 2HD1 ILE 91 2HD1 ILE 91 11.355 -0.461 -7.013 695 3HD1 ILE 91 3HD1 ILE 91 11.434 -0.031 -5.293 696 H ASP 92 H ASP 92 12.012 -6.042 -5.492 697 HA ASP 92 HA ASP 92 11.498 -7.907 -7.584 698 1HB ASP 92 1HB ASP 92 13.503 -7.533 -5.745 699 2HB ASP 92 2HB ASP 92 12.726 -8.886 -5.014 700 H ILE 93 H ILE 93 10.644 -7.861 -4.127 701 HA ILE 93 HA ILE 93 9.009 -10.170 -4.118 702 HB ILE 93 HB ILE 93 8.940 -7.712 -2.332 703 1HG1 ILE 93 1HG1 ILE 93 10.213 -10.430 -1.860 704 2HG1 ILE 93 2HG1 ILE 93 11.132 -9.141 -2.541 705 1HG2 ILE 93 1HG2 ILE 93 6.842 -9.051 -2.214 706 2HG2 ILE 93 2HG2 ILE 93 7.805 -10.470 -1.872 707 3HG2 ILE 93 3HG2 ILE 93 7.778 -9.086 -0.734 708 1HD1 ILE 93 1HD1 ILE 93 9.784 -8.904 0.152 709 2HD1 ILE 93 2HD1 ILE 93 11.491 -9.282 -0.134 710 3HD1 ILE 93 3HD1 ILE 93 10.833 -7.716 -0.631 711 H VAL 94 H VAL 94 8.152 -6.708 -4.904 712 HA VAL 94 HA VAL 94 5.345 -7.147 -5.004 713 HB VAL 94 HB VAL 94 7.036 -5.093 -6.435 714 1HG1 VAL 94 1HG1 VAL 94 5.026 -5.453 -7.890 715 2HG1 VAL 94 2HG1 VAL 94 3.970 -5.173 -6.466 716 3HG1 VAL 94 3HG1 VAL 94 5.039 -3.898 -7.092 717 1HG2 VAL 94 1HG2 VAL 94 5.033 -4.912 -4.095 718 2HG2 VAL 94 2HG2 VAL 94 6.773 -4.634 -4.057 719 3HG2 VAL 94 3HG2 VAL 94 5.777 -3.540 -4.939 720 H HIS 95 H HIS 95 7.781 -7.410 -7.588 721 HA HIS 95 HA HIS 95 5.821 -8.358 -9.524 722 1HB HIS 95 1HB HIS 95 8.874 -8.325 -9.504 723 2HB HIS 95 2HB HIS 95 7.877 -8.615 -10.925 724 HD1 HIS 95 HD1 HIS 95 9.901 -6.170 -10.753 725 HD2 HIS 95 HD2 HIS 95 5.794 -6.020 -9.811 726 HE1 HIS 95 HE1 HIS 95 9.209 -3.680 -10.710 727 H GLY 96 H GLY 96 7.785 -9.836 -7.082 728 1HA GLY 96 1HA GLY 96 8.153 -11.993 -6.460 729 2HA GLY 96 2HA GLY 96 7.751 -12.529 -8.111 730 H CYS 97 H CYS 97 5.681 -10.668 -6.055 731 HA CYS 97 HA CYS 97 4.310 -13.012 -4.943 732 1HB CYS 97 1HB CYS 97 4.178 -10.040 -4.491 733 2HB CYS 97 2HB CYS 97 2.947 -11.103 -3.819 734 H GLU 98 H GLU 98 3.801 -10.718 -7.508 735 HA GLU 98 HA GLU 98 1.101 -11.111 -8.131 736 1HB GLU 98 1HB GLU 98 3.554 -11.005 -9.838 737 2HB GLU 98 2HB GLU 98 1.958 -11.130 -10.537 738 1HG GLU 98 1HG GLU 98 1.397 -8.986 -9.244 739 2HG GLU 98 2HG GLU 98 3.079 -8.915 -8.847 740 H LYS 99 H LYS 99 3.926 -13.251 -8.357 741 HA LYS 99 HA LYS 99 2.858 -14.931 -10.453 742 1HB LYS 99 1HB LYS 99 5.456 -15.340 -9.036 743 2HB LYS 99 2HB LYS 99 4.953 -15.857 -10.646 744 1HG LYS 99 1HG LYS 99 5.369 -13.013 -9.727 745 2HG LYS 99 2HG LYS 99 6.447 -13.969 -10.719 746 1HD LYS 99 1HD LYS 99 3.651 -13.399 -11.678 747 2HD LYS 99 2HD LYS 99 4.926 -12.200 -11.868 748 1HE LYS 99 1HE LYS 99 6.015 -13.349 -13.472 749 2HE LYS 99 2HE LYS 99 5.803 -14.904 -12.650 750 1HZ LYS 99 1HZ LYS 99 3.709 -13.562 -14.215 751 2HZ LYS 99 2HZ LYS 99 4.665 -14.839 -14.730 752 3HZ LYS 99 3HZ LYS 99 3.645 -15.079 -13.500 753 H SER 100 H SER 100 3.861 -15.337 -7.026 754 HA SER 100 HA SER 100 3.122 -18.093 -6.780 755 1HB SER 100 1HB SER 100 3.181 -17.481 -4.328 756 2HB SER 100 2HB SER 100 4.657 -17.169 -5.240 757 HG SER 100 HG SER 100 4.390 -15.314 -4.213 758 H THR 101 H THR 101 1.333 -15.015 -6.502 759 HA THR 101 HA THR 101 -1.063 -16.257 -5.507 760 HB THR 101 HB THR 101 -0.820 -13.598 -6.988 761 HG1 THR 101 HG1 THR 101 0.544 -13.345 -5.332 762 1HG2 THR 101 1HG2 THR 101 -2.747 -14.538 -4.818 763 2HG2 THR 101 2HG2 THR 101 -2.675 -12.925 -5.563 764 3HG2 THR 101 3HG2 THR 101 -3.144 -14.320 -6.539 765 HA PRO 102 HA PRO 102 -2.271 -17.899 -9.593 766 1HB PRO 102 1HB PRO 102 -4.836 -18.630 -9.007 767 2HB PRO 102 2HB PRO 102 -3.428 -19.589 -8.467 768 1HG PRO 102 1HG PRO 102 -5.002 -17.565 -6.877 769 2HG PRO 102 2HG PRO 102 -4.474 -19.196 -6.379 770 1HD PRO 102 1HD PRO 102 -3.107 -16.924 -5.721 771 2HD PRO 102 2HD PRO 102 -2.261 -18.456 -6.014 772 H ALA 103 H ALA 103 -3.300 -16.822 -11.300 773 HA ALA 103 HA ALA 103 -3.984 -14.061 -10.902 774 1HB ALA 103 1HB ALA 103 -4.377 -15.866 -13.317 775 2HB ALA 103 2HB ALA 103 -2.903 -14.979 -12.923 776 3HB ALA 103 3HB ALA 103 -4.397 -14.095 -13.281 777 H ASN 104 H ASN 104 -5.664 -13.985 -9.493 778 HA ASN 104 HA ASN 104 -8.044 -15.550 -9.555 779 1HB ASN 104 1HB ASN 104 -7.193 -13.062 -8.106 780 2HB ASN 104 2HB ASN 104 -8.809 -13.261 -8.310 781 1HD2 ASN 104 1HD2 ASN 104 -9.866 -14.488 -6.881 782 2HD2 ASN 104 2HD2 ASN 104 -9.070 -15.557 -5.733 783 H ASP 105 H ASP 105 -10.265 -14.835 -10.013 784 HA ASP 105 HA ASP 105 -10.513 -13.600 -12.485 785 1HB ASP 105 1HB ASP 105 -12.038 -15.313 -11.499 786 2HB ASP 105 2HB ASP 105 -12.760 -14.028 -10.521 787 H ASP 106 H ASP 106 -10.144 -12.344 -9.287 788 HA ASP 106 HA ASP 106 -11.565 -9.790 -9.868 789 1HB ASP 106 1HB ASP 106 -12.534 -11.307 -8.069 790 2HB ASP 106 2HB ASP 106 -11.018 -11.264 -7.273 791 H LYS 107 H LYS 107 -10.067 -8.117 -10.058 792 HA LYS 107 HA LYS 107 -7.335 -8.493 -9.390 793 1HB LYS 107 1HB LYS 107 -8.911 -6.483 -10.723 794 2HB LYS 107 2HB LYS 107 -8.134 -5.681 -9.386 795 1HG LYS 107 1HG LYS 107 -6.461 -5.445 -10.933 796 2HG LYS 107 2HG LYS 107 -5.957 -6.989 -10.232 797 1HD LYS 107 1HD LYS 107 -5.999 -7.791 -12.373 798 2HD LYS 107 2HD LYS 107 -7.759 -7.800 -12.231 799 1HE LYS 107 1HE LYS 107 -7.673 -5.334 -12.999 800 2HE LYS 107 2HE LYS 107 -5.976 -5.599 -13.339 801 1HZ LYS 107 1HZ LYS 107 -6.711 -7.434 -14.827 802 2HZ LYS 107 2HZ LYS 107 -8.249 -6.869 -14.639 803 3HZ LYS 107 3HZ LYS 107 -7.095 -5.886 -15.304 804 H CYS 108 H CYS 108 -10.077 -7.458 -7.443 805 HA CYS 108 HA CYS 108 -8.567 -6.125 -5.366 806 1HB CYS 108 1HB CYS 108 -10.752 -5.566 -5.385 807 2HB CYS 108 2HB CYS 108 -11.363 -7.158 -5.753 808 H ILE 109 H ILE 109 -10.290 -9.238 -5.144 809 HA ILE 109 HA ILE 109 -8.817 -10.326 -3.047 810 HB ILE 109 HB ILE 109 -10.322 -11.622 -5.374 811 1HG1 ILE 109 1HG1 ILE 109 -11.105 -11.181 -2.452 812 2HG1 ILE 109 2HG1 ILE 109 -11.576 -10.102 -3.659 813 1HG2 ILE 109 1HG2 ILE 109 -8.776 -13.278 -4.405 814 2HG2 ILE 109 2HG2 ILE 109 -9.396 -12.938 -2.776 815 3HG2 ILE 109 3HG2 ILE 109 -10.444 -13.647 -4.005 816 1HD1 ILE 109 1HD1 ILE 109 -12.577 -12.261 -4.891 817 2HD1 ILE 109 2HD1 ILE 109 -12.708 -12.740 -3.145 818 3HD1 ILE 109 3HD1 ILE 109 -13.458 -11.212 -3.732 819 H TRP 110 H TRP 110 -7.886 -10.445 -6.485 820 HA TRP 110 HA TRP 110 -5.574 -12.070 -6.146 821 1HB TRP 110 1HB TRP 110 -6.454 -11.272 -8.401 822 2HB TRP 110 2HB TRP 110 -5.958 -9.729 -8.023 823 HD1 TRP 110 HD1 TRP 110 -4.476 -13.202 -8.323 824 HE1 TRP 110 HE1 TRP 110 -2.040 -13.065 -9.308 825 HE3 TRP 110 HE3 TRP 110 -4.062 -8.159 -8.608 826 HZ2 TRP 110 HZ2 TRP 110 -0.188 -10.916 -10.172 827 HZ3 TRP 110 HZ3 TRP 110 -2.069 -7.090 -9.609 828 HH2 TRP 110 HH2 TRP 110 -0.234 -8.429 -10.489 829 H THR 111 H THR 111 -5.752 -8.465 -6.160 830 HA THR 111 HA THR 111 -3.146 -7.929 -5.432 831 HB THR 111 HB THR 111 -5.771 -6.447 -5.128 832 HG1 THR 111 HG1 THR 111 -5.427 -6.592 -7.155 833 1HG2 THR 111 1HG2 THR 111 -3.006 -5.285 -4.769 834 2HG2 THR 111 2HG2 THR 111 -4.435 -4.345 -5.248 835 3HG2 THR 111 3HG2 THR 111 -4.407 -5.179 -3.691 836 H LEU 112 H LEU 112 -5.851 -8.786 -3.150 837 HA LEU 112 HA LEU 112 -4.358 -8.028 -0.807 838 1HB LEU 112 1HB LEU 112 -6.790 -8.262 -0.870 839 2HB LEU 112 2HB LEU 112 -6.650 -9.951 -1.301 840 HG LEU 112 HG LEU 112 -7.287 -9.298 1.083 841 1HD1 LEU 112 1HD1 LEU 112 -6.581 -11.546 0.302 842 2HD1 LEU 112 2HD1 LEU 112 -4.929 -11.182 0.851 843 3HD1 LEU 112 3HD1 LEU 112 -6.236 -11.207 2.030 844 1HD2 LEU 112 1HD2 LEU 112 -5.591 -7.520 1.415 845 2HD2 LEU 112 2HD2 LEU 112 -5.597 -8.748 2.688 846 3HD2 LEU 112 3HD2 LEU 112 -4.332 -8.764 1.466 847 H GLY 113 H GLY 113 -4.846 -11.039 -2.683 848 1HA GLY 113 1HA GLY 113 -3.460 -12.861 -2.959 849 2HA GLY 113 2HA GLY 113 -3.242 -12.839 -1.193 850 H VAL 114 H VAL 114 -2.247 -10.756 -3.957 851 HA VAL 114 HA VAL 114 0.499 -11.200 -3.914 852 HB VAL 114 HB VAL 114 -1.030 -8.689 -4.685 853 1HG1 VAL 114 1HG1 VAL 114 1.765 -9.641 -5.431 854 2HG1 VAL 114 2HG1 VAL 114 0.907 -8.299 -6.216 855 3HG1 VAL 114 3HG1 VAL 114 1.351 -8.177 -4.506 856 1HG2 VAL 114 1HG2 VAL 114 -0.156 -11.124 -6.305 857 2HG2 VAL 114 2HG2 VAL 114 -1.819 -10.659 -5.962 858 3HG2 VAL 114 3HG2 VAL 114 -0.840 -9.635 -6.989 859 H ALA 115 H ALA 115 -1.247 -8.465 -2.225 860 HA ALA 115 HA ALA 115 1.091 -7.545 -0.930 861 1HB ALA 115 1HB ALA 115 -1.024 -6.261 -1.316 862 2HB ALA 115 2HB ALA 115 -0.395 -6.139 0.331 863 3HB ALA 115 3HB ALA 115 -1.796 -7.197 -0.012 864 H THR 116 H THR 116 -1.007 -10.212 0.004 865 HA THR 116 HA THR 116 -0.126 -10.323 2.792 866 HB THR 116 HB THR 116 -1.419 -12.443 1.009 867 HG1 THR 116 HG1 THR 116 -2.697 -10.647 1.227 868 1HG2 THR 116 1HG2 THR 116 -1.237 -12.270 4.041 869 2HG2 THR 116 2HG2 THR 116 -2.188 -13.459 3.127 870 3HG2 THR 116 3HG2 THR 116 -0.424 -13.469 3.017 871 H CYS 117 H CYS 117 0.871 -11.717 -0.345 872 HA CYS 117 HA CYS 117 3.033 -13.307 0.673 873 1HB CYS 117 1HB CYS 117 2.219 -13.822 -1.457 874 2HB CYS 117 2HB CYS 117 2.319 -12.187 -2.034 875 H PHE 118 H PHE 118 2.893 -9.774 -0.539 876 HA PHE 118 HA PHE 118 5.491 -9.224 -0.210 877 1HB PHE 118 1HB PHE 118 3.646 -7.708 -0.962 878 2HB PHE 118 2HB PHE 118 3.238 -7.390 0.700 879 HD1 PHE 118 HD1 PHE 118 6.678 -7.633 0.807 880 HD2 PHE 118 HD2 PHE 118 3.802 -5.082 -1.066 881 HE1 PHE 118 HE1 PHE 118 8.281 -5.861 0.784 882 HE2 PHE 118 HE2 PHE 118 5.388 -3.204 -0.893 883 HZ PHE 118 HZ PHE 118 7.578 -3.516 0.098 884 H LYS 119 H LYS 119 3.185 -8.710 2.494 885 HA LYS 119 HA LYS 119 5.060 -8.004 4.370 886 1HB LYS 119 1HB LYS 119 2.306 -8.446 4.259 887 2HB LYS 119 2HB LYS 119 2.770 -9.630 5.387 888 1HG LYS 119 1HG LYS 119 4.266 -7.304 6.206 889 2HG LYS 119 2HG LYS 119 2.737 -6.710 5.624 890 1HD LYS 119 1HD LYS 119 2.310 -6.841 7.826 891 2HD LYS 119 2HD LYS 119 1.677 -8.392 7.320 892 1HE LYS 119 1HE LYS 119 4.444 -7.860 8.538 893 2HE LYS 119 2HE LYS 119 3.040 -8.441 9.424 894 1HZ LYS 119 1HZ LYS 119 3.046 -10.382 7.921 895 2HZ LYS 119 2HZ LYS 119 4.575 -9.919 7.385 896 3HZ LYS 119 3HZ LYS 119 4.261 -10.330 8.958 897 H ALA 120 H ALA 120 4.027 -11.165 3.509 898 HA ALA 120 HA ALA 120 5.401 -12.633 5.625 899 1HB ALA 120 1HB ALA 120 5.189 -14.606 4.218 900 2HB ALA 120 2HB ALA 120 3.665 -13.699 4.246 901 3HB ALA 120 3HB ALA 120 4.737 -13.619 2.819 902 H GLU 121 H GLU 121 6.494 -11.567 2.332 903 HA GLU 121 HA GLU 121 9.141 -12.678 2.639 904 1HB GLU 121 1HB GLU 121 7.936 -10.581 0.820 905 2HB GLU 121 2HB GLU 121 9.612 -11.066 0.714 906 1HG GLU 121 1HG GLU 121 7.281 -13.045 0.499 907 2HG GLU 121 2HG GLU 121 8.033 -12.291 -0.889 908 H ILE 122 H ILE 122 7.772 -9.361 3.346 909 HA ILE 122 HA ILE 122 10.255 -8.331 4.254 910 HB ILE 122 HB ILE 122 7.527 -7.662 5.379 911 1HG1 ILE 122 1HG1 ILE 122 8.976 -6.339 3.101 912 2HG1 ILE 122 2HG1 ILE 122 7.547 -7.349 2.987 913 1HG2 ILE 122 1HG2 ILE 122 9.379 -6.883 6.840 914 2HG2 ILE 122 2HG2 ILE 122 10.110 -6.053 5.459 915 3HG2 ILE 122 3HG2 ILE 122 8.529 -5.553 6.131 916 1HD1 ILE 122 1HD1 ILE 122 6.343 -5.732 4.555 917 2HD1 ILE 122 2HD1 ILE 122 7.700 -4.611 4.278 918 3HD1 ILE 122 3HD1 ILE 122 6.690 -5.137 2.933 919 H HIS 123 H HIS 123 8.197 -10.783 5.735 920 HA HIS 123 HA HIS 123 9.512 -10.594 8.315 921 1HB HIS 123 1HB HIS 123 7.153 -11.533 7.691 922 2HB HIS 123 2HB HIS 123 8.027 -13.009 7.284 923 HD1 HIS 123 HD1 HIS 123 7.417 -14.560 9.212 924 HD2 HIS 123 HD2 HIS 123 8.512 -10.650 10.368 925 HE1 HIS 123 HE1 HIS 123 7.392 -14.549 11.749 926 H LYS 124 H LYS 124 10.231 -12.220 5.254 927 HA LYS 124 HA LYS 124 12.377 -13.897 6.382 928 1HB LYS 124 1HB LYS 124 11.548 -13.113 3.550 929 2HB LYS 124 2HB LYS 124 13.025 -13.991 3.880 930 1HG LYS 124 1HG LYS 124 11.920 -15.935 4.585 931 2HG LYS 124 2HG LYS 124 10.359 -15.111 4.804 932 1HD LYS 124 1HD LYS 124 9.986 -14.895 2.491 933 2HD LYS 124 2HD LYS 124 11.683 -15.130 2.087 934 1HE LYS 124 1HE LYS 124 10.385 -16.986 1.321 935 2HE LYS 124 2HE LYS 124 11.549 -17.509 2.540 936 1HZ LYS 124 1HZ LYS 124 8.684 -17.007 3.133 937 2HZ LYS 124 2HZ LYS 124 9.290 -18.468 2.738 938 3HZ LYS 124 3HZ LYS 124 9.811 -17.729 4.111 939 H LEU 125 H LEU 125 11.989 -10.588 5.050 940 HA LEU 125 HA LEU 125 14.735 -10.166 4.551 941 1HB LEU 125 1HB LEU 125 12.488 -8.234 5.145 942 2HB LEU 125 2HB LEU 125 14.093 -7.638 5.010 943 HG LEU 125 HG LEU 125 12.862 -9.265 2.758 944 1HD1 LEU 125 1HD1 LEU 125 12.952 -6.226 3.102 945 2HD1 LEU 125 2HD1 LEU 125 12.534 -7.086 1.601 946 3HD1 LEU 125 3HD1 LEU 125 11.499 -7.232 3.008 947 1HD2 LEU 125 1HD2 LEU 125 15.308 -7.447 3.057 948 2HD2 LEU 125 2HD2 LEU 125 15.296 -9.184 2.671 949 3HD2 LEU 125 3HD2 LEU 125 14.701 -8.023 1.494 950 H ASN 126 H ASN 126 16.128 -8.763 5.556 951 HA ASN 126 HA ASN 126 16.552 -9.432 8.392 952 1HB ASN 126 1HB ASN 126 18.364 -9.648 6.671 953 2HB ASN 126 2HB ASN 126 18.370 -7.896 6.491 954 1HD2 ASN 126 1HD2 ASN 126 20.258 -7.093 7.594 955 2HD2 ASN 126 2HD2 ASN 126 20.782 -7.745 9.135 956 H TRP 127 H TRP 127 14.933 -6.957 6.818 957 HA TRP 127 HA TRP 127 15.175 -5.119 9.109 958 1HB TRP 127 1HB TRP 127 15.386 -3.191 7.655 959 2HB TRP 127 2HB TRP 127 16.738 -4.255 7.418 960 HD1 TRP 127 HD1 TRP 127 16.264 -6.042 5.160 961 HE1 TRP 127 HE1 TRP 127 15.472 -5.374 2.820 962 HE3 TRP 127 HE3 TRP 127 14.251 -1.441 6.223 963 HZ2 TRP 127 HZ2 TRP 127 13.864 -3.384 1.656 964 HZ3 TRP 127 HZ3 TRP 127 13.227 -0.100 4.393 965 HH2 TRP 127 HH2 TRP 127 13.003 -1.062 2.104 966 H ALA 128 H ALA 128 13.473 -3.329 8.721 967 HA ALA 128 HA ALA 128 10.956 -4.417 7.581 968 1HB ALA 128 1HB ALA 128 10.977 -4.977 9.941 969 2HB ALA 128 2HB ALA 128 11.279 -3.272 10.364 970 3HB ALA 128 3HB ALA 128 9.758 -3.731 9.592 971 HA PRO 129 HA PRO 129 11.458 -0.143 5.927 972 1HB PRO 129 1HB PRO 129 8.838 -0.794 4.671 973 2HB PRO 129 2HB PRO 129 10.333 -0.219 3.907 974 1HG PRO 129 1HG PRO 129 9.438 -2.809 3.668 975 2HG PRO 129 2HG PRO 129 11.165 -2.407 3.721 976 1HD PRO 129 1HD PRO 129 9.457 -3.485 5.907 977 2HD PRO 129 2HD PRO 129 11.163 -3.840 5.491 978 H SER 130 H SER 130 10.191 1.913 6.340 979 HA SER 130 HA SER 130 8.238 1.826 8.484 980 1HB SER 130 1HB SER 130 8.497 3.883 6.274 981 2HB SER 130 2HB SER 130 7.732 4.070 7.822 982 HG SER 130 HG SER 130 10.526 3.721 7.413 983 H MET 131 H MET 131 5.948 2.120 8.166 984 HA MET 131 HA MET 131 4.739 0.372 6.307 985 1HB MET 131 1HB MET 131 3.617 2.649 7.976 986 2HB MET 131 2HB MET 131 2.642 1.671 6.879 987 1HG MET 131 1HG MET 131 2.396 0.569 8.841 988 2HG MET 131 2HG MET 131 3.573 -0.406 8.020 989 1HE MET 131 1HE MET 131 5.103 -1.605 9.453 990 2HE MET 131 2HE MET 131 6.147 -0.480 8.574 991 3HE MET 131 3HE MET 131 6.417 -0.769 10.313 992 H ASP 132 H ASP 132 5.036 3.924 6.278 993 HA ASP 132 HA ASP 132 3.811 4.630 3.976 994 1HB ASP 132 1HB ASP 132 6.456 5.687 5.017 995 2HB ASP 132 2HB ASP 132 5.354 6.544 3.927 996 H VAL 133 H VAL 133 7.094 3.137 4.193 997 HA VAL 133 HA VAL 133 7.568 3.384 1.330 998 HB VAL 133 HB VAL 133 9.028 1.774 3.465 999 1HG1 VAL 133 1HG1 VAL 133 9.770 2.375 0.561 1000 2HG1 VAL 133 2HG1 VAL 133 10.904 1.729 1.787 1001 3HG1 VAL 133 3HG1 VAL 133 9.489 0.786 1.288 1002 1HG2 VAL 133 1HG2 VAL 133 9.707 4.456 2.198 1003 2HG2 VAL 133 2HG2 VAL 133 9.218 4.188 3.880 1004 3HG2 VAL 133 3HG2 VAL 133 10.749 3.526 3.286 1005 H ALA 134 H ALA 134 6.815 0.559 3.579 1006 HA ALA 134 HA ALA 134 6.872 -1.226 1.299 1007 1HB ALA 134 1HB ALA 134 7.239 -2.049 3.604 1008 2HB ALA 134 2HB ALA 134 5.548 -1.669 4.008 1009 3HB ALA 134 3HB ALA 134 5.925 -2.902 2.783 1010 H VAL 135 H VAL 135 4.239 0.718 2.665 1011 HA VAL 135 HA VAL 135 2.267 -0.691 0.970 1012 HB VAL 135 HB VAL 135 1.917 1.719 2.800 1013 1HG1 VAL 135 1HG1 VAL 135 -0.062 -0.187 1.476 1014 2HG1 VAL 135 2HG1 VAL 135 -0.490 1.042 2.703 1015 3HG1 VAL 135 3HG1 VAL 135 0.150 1.530 1.130 1016 1HG2 VAL 135 1HG2 VAL 135 1.507 -1.272 3.305 1017 2HG2 VAL 135 2HG2 VAL 135 2.621 -0.186 4.162 1018 3HG2 VAL 135 3HG2 VAL 135 0.890 0.015 4.364 1019 H GLY 136 H GLY 136 4.246 2.331 1.048 1020 1HA GLY 136 1HA GLY 136 4.653 3.872 -0.531 1021 2HA GLY 136 2HA GLY 136 2.977 3.719 -1.005 1022 H GLU 137 H GLU 137 5.648 1.279 -1.170 1023 HA GLU 137 HA GLU 137 6.164 1.727 -3.929 1024 1HB GLU 137 1HB GLU 137 6.994 -0.551 -2.110 1025 2HB GLU 137 2HB GLU 137 7.582 -0.273 -3.747 1026 1HG GLU 137 1HG GLU 137 7.932 2.231 -2.375 1027 2HG GLU 137 2HG GLU 137 8.325 1.010 -1.210 1028 H ILE 138 H ILE 138 4.449 -0.962 -2.198 1029 HA ILE 138 HA ILE 138 3.923 -2.357 -4.600 1030 HB ILE 138 HB ILE 138 3.735 -3.434 -2.459 1031 1HG1 ILE 138 1HG1 ILE 138 1.032 -3.573 -3.840 1032 2HG1 ILE 138 2HG1 ILE 138 2.497 -4.374 -4.419 1033 1HG2 ILE 138 1HG2 ILE 138 2.701 -1.545 -1.170 1034 2HG2 ILE 138 2HG2 ILE 138 1.151 -1.899 -1.951 1035 3HG2 ILE 138 3HG2 ILE 138 1.906 -3.087 -0.871 1036 1HD1 ILE 138 1HD1 ILE 138 1.164 -4.990 -1.741 1037 2HD1 ILE 138 2HD1 ILE 138 0.929 -5.909 -3.232 1038 3HD1 ILE 138 3HD1 ILE 138 2.507 -5.888 -2.464 1039 H LEU 139 H LEU 139 2.188 0.365 -3.168 1040 HA LEU 139 HA LEU 139 -0.104 0.235 -4.980 1041 1HB LEU 139 1HB LEU 139 1.113 2.398 -3.327 1042 2HB LEU 139 2HB LEU 139 -0.319 2.633 -4.182 1043 HG LEU 139 HG LEU 139 0.056 0.477 -2.014 1044 1HD1 LEU 139 1HD1 LEU 139 -1.398 3.144 -1.901 1045 2HD1 LEU 139 2HD1 LEU 139 -1.453 1.865 -0.637 1046 3HD1 LEU 139 3HD1 LEU 139 0.077 2.675 -1.024 1047 1HD2 LEU 139 1HD2 LEU 139 -2.496 1.330 -3.333 1048 2HD2 LEU 139 2HD2 LEU 139 -1.667 -0.220 -3.573 1049 3HD2 LEU 139 3HD2 LEU 139 -2.335 0.186 -1.996 1050 H ALA 140 H ALA 140 2.925 2.045 -4.891 1051 HA ALA 140 HA ALA 140 2.598 3.408 -7.350 1052 1HB ALA 140 1HB ALA 140 4.441 3.917 -5.840 1053 2HB ALA 140 2HB ALA 140 5.193 2.344 -6.172 1054 3HB ALA 140 3HB ALA 140 5.062 3.537 -7.449 1055 H GLU 141 H GLU 141 3.015 -0.055 -6.935 1056 HA GLU 141 HA GLU 141 3.816 -0.327 -9.779 1057 1HB GLU 141 1HB GLU 141 4.503 -1.708 -7.193 1058 2HB GLU 141 2HB GLU 141 4.744 -2.512 -8.754 1059 1HG GLU 141 1HG GLU 141 6.420 -1.102 -9.454 1060 2HG GLU 141 2HG GLU 141 5.749 0.281 -8.602 1061 H VAL 142 H VAL 142 1.902 -2.163 -7.293 1062 HA VAL 142 HA VAL 142 0.906 -3.932 -9.304 1063 HB VAL 142 HB VAL 142 0.572 -3.651 -6.388 1064 1HG1 VAL 142 1HG1 VAL 142 -1.566 -5.080 -7.970 1065 2HG1 VAL 142 2HG1 VAL 142 -1.276 -5.255 -6.226 1066 3HG1 VAL 142 3HG1 VAL 142 -1.834 -3.700 -6.882 1067 1HG2 VAL 142 1HG2 VAL 142 2.137 -5.188 -7.648 1068 2HG2 VAL 142 2HG2 VAL 142 1.123 -5.957 -6.402 1069 3HG2 VAL 142 3HG2 VAL 142 0.703 -6.111 -8.136 No H/Q in entry = 1069 Start of MODEL 12 1 H SER 1 H SER 1 9.525 26.094 14.626 2 HA SER 1 HA SER 1 9.124 23.703 14.377 3 1HB SER 1 1HB SER 1 7.200 23.566 16.168 4 2HB SER 1 2HB SER 1 8.769 24.273 16.596 5 HG SER 1 HG SER 1 6.857 25.497 17.227 6 H GLN 2 H GLN 2 7.676 21.995 13.695 7 HA GLN 2 HA GLN 2 5.328 22.931 12.106 8 1HB GLN 2 1HB GLN 2 7.660 21.167 11.274 9 2HB GLN 2 2HB GLN 2 6.100 21.135 10.435 10 1HG GLN 2 1HG GLN 2 6.249 23.473 9.869 11 2HG GLN 2 2HG GLN 2 7.687 23.702 10.862 12 1HE2 GLN 2 1HE2 GLN 2 9.465 23.973 9.571 13 2HE2 GLN 2 2HE2 GLN 2 9.747 23.041 8.097 14 H GLU 3 H GLU 3 3.765 21.295 11.673 15 HA GLU 3 HA GLU 3 3.605 19.211 13.795 16 1HB GLU 3 1HB GLU 3 1.638 21.388 13.284 17 2HB GLU 3 2HB GLU 3 1.482 20.101 14.484 18 1HG GLU 3 1HG GLU 3 3.532 20.936 15.628 19 2HG GLU 3 2HG GLU 3 3.558 22.339 14.537 20 H VAL 4 H VAL 4 4.087 18.436 11.249 21 HA VAL 4 HA VAL 4 1.458 17.493 10.239 22 HB VAL 4 HB VAL 4 3.703 18.241 8.361 23 1HG1 VAL 4 1HG1 VAL 4 1.769 16.889 7.507 24 2HG1 VAL 4 2HG1 VAL 4 0.654 18.164 8.045 25 3HG1 VAL 4 3HG1 VAL 4 1.838 18.475 6.754 26 1HG2 VAL 4 1HG2 VAL 4 1.542 20.150 9.362 27 2HG2 VAL 4 2HG2 VAL 4 3.308 20.353 9.521 28 3HG2 VAL 4 3HG2 VAL 4 2.565 20.417 7.932 29 H MET 5 H MET 5 3.045 16.099 12.069 30 HA MET 5 HA MET 5 3.776 13.684 10.520 31 1HB MET 5 1HB MET 5 5.412 14.864 12.802 32 2HB MET 5 2HB MET 5 5.702 13.331 11.962 33 1HG MET 5 1HG MET 5 5.787 14.699 9.806 34 2HG MET 5 2HG MET 5 5.894 16.133 10.805 35 1HE MET 5 1HE MET 5 7.564 15.501 13.213 36 2HE MET 5 2HE MET 5 9.212 15.831 12.661 37 3HE MET 5 3HE MET 5 7.887 16.906 12.165 38 H LYS 6 H LYS 6 1.405 14.289 11.647 39 HA LYS 6 HA LYS 6 0.773 12.763 14.044 40 1HB LYS 6 1HB LYS 6 -0.889 13.078 11.544 41 2HB LYS 6 2HB LYS 6 -1.404 12.572 13.128 42 1HG LYS 6 1HG LYS 6 -2.089 14.708 13.236 43 2HG LYS 6 2HG LYS 6 -0.512 14.879 13.949 44 1HD LYS 6 1HD LYS 6 -0.722 16.742 12.564 45 2HD LYS 6 2HD LYS 6 0.340 15.713 11.657 46 1HE LYS 6 1HE LYS 6 -2.647 16.080 11.149 47 2HE LYS 6 2HE LYS 6 -1.338 16.904 10.301 48 1HZ LYS 6 1HZ LYS 6 -0.595 14.518 9.702 49 2HZ LYS 6 2HZ LYS 6 -2.132 14.103 10.095 50 3HZ LYS 6 3HZ LYS 6 -1.856 15.200 8.900 51 H ASN 7 H ASN 7 -0.202 10.403 13.756 52 HA ASN 7 HA ASN 7 1.645 8.659 12.693 53 1HB ASN 7 1HB ASN 7 -0.080 7.005 12.929 54 2HB ASN 7 2HB ASN 7 -0.194 8.011 14.313 55 1HD2 ASN 7 1HD2 ASN 7 -1.928 6.485 12.177 56 2HD2 ASN 7 2HD2 ASN 7 -3.351 7.541 11.921 57 H LEU 8 H LEU 8 1.518 7.231 10.896 58 HA LEU 8 HA LEU 8 1.664 6.871 8.778 59 1HB LEU 8 1HB LEU 8 -0.351 5.902 9.268 60 2HB LEU 8 2HB LEU 8 -1.271 7.377 9.145 61 HG LEU 8 HG LEU 8 -1.383 5.571 7.275 62 1HD1 LEU 8 1HD1 LEU 8 -1.426 8.547 7.138 63 2HD1 LEU 8 2HD1 LEU 8 -1.513 7.705 5.617 64 3HD1 LEU 8 3HD1 LEU 8 -2.716 7.376 6.913 65 1HD2 LEU 8 1HD2 LEU 8 1.205 5.629 6.973 66 2HD2 LEU 8 2HD2 LEU 8 0.185 5.497 5.577 67 3HD2 LEU 8 3HD2 LEU 8 0.887 7.075 5.979 68 H SER 9 H SER 9 2.983 7.942 7.581 69 HA SER 9 HA SER 9 2.992 10.824 7.577 70 1HB SER 9 1HB SER 9 4.930 9.064 7.602 71 2HB SER 9 2HB SER 9 4.707 9.011 5.850 72 HG SER 9 HG SER 9 5.761 10.971 7.506 73 H LEU 10 H LEU 10 2.359 8.269 5.134 74 HA LEU 10 HA LEU 10 1.587 10.106 3.034 75 1HB LEU 10 1HB LEU 10 1.041 7.193 3.530 76 2HB LEU 10 2HB LEU 10 0.400 8.030 2.120 77 HG LEU 10 HG LEU 10 3.314 7.435 2.752 78 1HD1 LEU 10 1HD1 LEU 10 1.439 6.449 0.599 79 2HD1 LEU 10 2HD1 LEU 10 3.203 6.357 0.460 80 3HD1 LEU 10 3HD1 LEU 10 2.415 5.533 1.778 81 1HD2 LEU 10 1HD2 LEU 10 2.170 9.205 0.533 82 2HD2 LEU 10 2HD2 LEU 10 3.342 9.673 1.787 83 3HD2 LEU 10 3HD2 LEU 10 3.806 8.548 0.520 84 H ASN 11 H ASN 11 -0.769 10.177 2.166 85 HA ASN 11 HA ASN 11 -2.543 10.534 4.557 86 1HB ASN 11 1HB ASN 11 -1.874 12.543 3.069 87 2HB ASN 11 2HB ASN 11 -3.117 11.932 1.988 88 1HD2 ASN 11 1HD2 ASN 11 -2.719 14.119 4.377 89 2HD2 ASN 11 2HD2 ASN 11 -4.290 14.069 5.135 90 H PHE 12 H PHE 12 -2.708 8.113 4.301 91 HA PHE 12 HA PHE 12 -4.274 7.014 2.185 92 1HB PHE 12 1HB PHE 12 -3.532 6.131 4.983 93 2HB PHE 12 2HB PHE 12 -4.681 5.231 4.022 94 HD1 PHE 12 HD1 PHE 12 -1.148 6.388 4.139 95 HD2 PHE 12 HD2 PHE 12 -3.997 3.850 2.169 96 HE1 PHE 12 HE1 PHE 12 0.709 5.186 3.029 97 HE2 PHE 12 HE2 PHE 12 -2.130 2.705 1.013 98 HZ PHE 12 HZ PHE 12 0.230 3.452 1.381 99 H GLY 13 H GLY 13 -5.167 8.588 5.282 100 1HA GLY 13 1HA GLY 13 -7.174 9.462 5.945 101 2HA GLY 13 2HA GLY 13 -7.799 7.862 5.513 102 H LYS 14 H LYS 14 -6.709 10.840 3.744 103 HA LYS 14 HA LYS 14 -9.285 11.472 2.664 104 1HB LYS 14 1HB LYS 14 -6.409 12.112 2.016 105 2HB LYS 14 2HB LYS 14 -7.579 12.462 0.786 106 1HG LYS 14 1HG LYS 14 -8.099 13.487 3.578 107 2HG LYS 14 2HG LYS 14 -6.876 14.285 2.590 108 1HD LYS 14 1HD LYS 14 -9.740 13.830 1.650 109 2HD LYS 14 2HD LYS 14 -9.169 15.314 2.449 110 1HE LYS 14 1HE LYS 14 -7.430 15.550 0.617 111 2HE LYS 14 2HE LYS 14 -8.176 14.157 -0.186 112 1HZ LYS 14 1HZ LYS 14 -10.287 15.526 -0.087 113 2HZ LYS 14 2HZ LYS 14 -9.314 16.817 0.239 114 3HZ LYS 14 3HZ LYS 14 -9.154 15.984 -1.174 115 H ALA 15 H ALA 15 -6.590 9.570 1.273 116 HA ALA 15 HA ALA 15 -7.859 9.204 -1.243 117 1HB ALA 15 1HB ALA 15 -5.925 7.290 0.198 118 2HB ALA 15 2HB ALA 15 -6.125 7.473 -1.557 119 3HB ALA 15 3HB ALA 15 -5.379 8.762 -0.587 120 H LEU 16 H LEU 16 -7.941 7.118 1.681 121 HA LEU 16 HA LEU 16 -9.500 5.034 0.514 122 1HB LEU 16 1HB LEU 16 -9.052 6.010 3.370 123 2HB LEU 16 2HB LEU 16 -10.135 4.673 3.040 124 HG LEU 16 HG LEU 16 -7.255 4.617 2.052 125 1HD1 LEU 16 1HD1 LEU 16 -7.219 4.941 4.507 126 2HD1 LEU 16 2HD1 LEU 16 -8.323 3.553 4.702 127 3HD1 LEU 16 3HD1 LEU 16 -6.690 3.314 4.040 128 1HD2 LEU 16 1HD2 LEU 16 -8.839 2.912 1.116 129 2HD2 LEU 16 2HD2 LEU 16 -7.598 2.181 2.160 130 3HD2 LEU 16 3HD2 LEU 16 -9.223 2.412 2.786 131 H ASP 17 H ASP 17 -10.360 8.038 2.324 132 HA ASP 17 HA ASP 17 -13.147 7.705 2.498 133 1HB ASP 17 1HB ASP 17 -11.550 9.499 3.571 134 2HB ASP 17 2HB ASP 17 -11.633 10.317 2.036 135 H GLU 18 H GLU 18 -11.212 8.587 -0.355 136 HA GLU 18 HA GLU 18 -13.697 9.139 -1.884 137 1HB GLU 18 1HB GLU 18 -10.736 9.101 -2.604 138 2HB GLU 18 2HB GLU 18 -12.051 9.539 -3.702 139 1HG GLU 18 1HG GLU 18 -12.673 11.454 -2.384 140 2HG GLU 18 2HG GLU 18 -11.416 11.050 -1.214 141 H CYS 19 H CYS 19 -11.082 6.664 -1.791 142 HA CYS 19 HA CYS 19 -12.128 5.192 -4.013 143 1HB CYS 19 1HB CYS 19 -10.072 4.789 -1.934 144 2HB CYS 19 2HB CYS 19 -10.771 3.308 -2.519 145 H LYS 20 H LYS 20 -12.875 5.023 -0.542 146 HA LYS 20 HA LYS 20 -14.468 2.700 -0.550 147 1HB LYS 20 1HB LYS 20 -15.526 3.585 1.436 148 2HB LYS 20 2HB LYS 20 -13.799 3.915 1.466 149 1HG LYS 20 1HG LYS 20 -14.365 5.912 2.167 150 2HG LYS 20 2HG LYS 20 -14.515 6.241 0.450 151 1HD LYS 20 1HD LYS 20 -16.353 7.220 1.562 152 2HD LYS 20 2HD LYS 20 -16.992 5.845 0.650 153 1HE LYS 20 1HE LYS 20 -18.075 5.710 2.732 154 2HE LYS 20 2HE LYS 20 -16.803 4.492 2.835 155 1HZ LYS 20 1HZ LYS 20 -15.492 6.107 4.164 156 2HZ LYS 20 2HZ LYS 20 -16.706 7.208 4.072 157 3HZ LYS 20 3HZ LYS 20 -16.908 5.790 4.835 158 H LYS 21 H LYS 21 -15.200 6.021 -1.766 159 HA LYS 21 HA LYS 21 -17.945 5.283 -2.302 160 1HB LYS 21 1HB LYS 21 -16.330 7.564 -3.516 161 2HB LYS 21 2HB LYS 21 -18.082 7.354 -3.510 162 1HG LYS 21 1HG LYS 21 -18.063 7.521 -1.011 163 2HG LYS 21 2HG LYS 21 -16.316 7.854 -1.080 164 1HD LYS 21 1HD LYS 21 -16.713 9.831 -2.486 165 2HD LYS 21 2HD LYS 21 -18.461 9.482 -2.501 166 1HE LYS 21 1HE LYS 21 -17.937 9.499 0.206 167 2HE LYS 21 2HE LYS 21 -16.740 10.657 -0.361 168 1HZ LYS 21 1HZ LYS 21 -18.635 11.792 -1.499 169 2HZ LYS 21 2HZ LYS 21 -19.657 10.736 -0.703 170 3HZ LYS 21 3HZ LYS 21 -18.741 11.780 0.154 171 H GLU 22 H GLU 22 -14.898 5.505 -4.220 172 HA GLU 22 HA GLU 22 -15.973 5.218 -6.761 173 1HB GLU 22 1HB GLU 22 -13.266 4.311 -5.717 174 2HB GLU 22 2HB GLU 22 -13.720 4.254 -7.403 175 1HG GLU 22 1HG GLU 22 -14.423 6.783 -7.000 176 2HG GLU 22 2HG GLU 22 -13.318 6.643 -5.631 177 H MET 23 H MET 23 -15.273 2.588 -4.516 178 HA MET 23 HA MET 23 -16.240 0.649 -6.537 179 1HB MET 23 1HB MET 23 -15.011 -0.212 -4.004 180 2HB MET 23 2HB MET 23 -14.918 -0.873 -5.580 181 1HG MET 23 1HG MET 23 -13.463 1.545 -5.714 182 2HG MET 23 2HG MET 23 -13.008 0.752 -4.221 183 1HE MET 23 1HE MET 23 -13.488 0.383 -8.061 184 2HE MET 23 2HE MET 23 -12.021 1.324 -7.718 185 3HE MET 23 3HE MET 23 -11.893 -0.256 -8.517 186 H THR 24 H THR 24 -17.622 2.402 -4.075 187 HA THR 24 HA THR 24 -18.911 2.080 -2.275 188 HB THR 24 HB THR 24 -20.329 0.049 -4.038 189 HG1 THR 24 HG1 THR 24 -20.100 2.128 -5.004 190 1HG2 THR 24 1HG2 THR 24 -21.317 1.798 -1.721 191 2HG2 THR 24 2HG2 THR 24 -22.318 0.718 -2.735 192 3HG2 THR 24 3HG2 THR 24 -21.101 0.046 -1.653 193 H LEU 25 H LEU 25 -16.949 1.307 -1.307 194 HA LEU 25 HA LEU 25 -16.746 -1.581 -0.657 195 1HB LEU 25 1HB LEU 25 -15.120 0.703 0.509 196 2HB LEU 25 2HB LEU 25 -14.758 -0.998 0.616 197 HG LEU 25 HG LEU 25 -14.822 0.450 -2.056 198 1HD1 LEU 25 1HD1 LEU 25 -12.866 0.922 -0.107 199 2HD1 LEU 25 2HD1 LEU 25 -12.126 -0.200 -1.256 200 3HD1 LEU 25 3HD1 LEU 25 -12.816 1.307 -1.841 201 1HD2 LEU 25 1HD2 LEU 25 -13.673 -2.240 -1.197 202 2HD2 LEU 25 2HD2 LEU 25 -15.088 -1.980 -2.234 203 3HD2 LEU 25 3HD2 LEU 25 -13.480 -1.512 -2.805 204 H THR 26 H THR 26 -16.240 -1.690 1.988 205 HA THR 26 HA THR 26 -18.678 -0.970 3.392 206 HB THR 26 HB THR 26 -16.953 -1.837 5.286 207 HG1 THR 26 HG1 THR 26 -15.834 -3.602 3.697 208 1HG2 THR 26 1HG2 THR 26 -18.248 -3.646 3.233 209 2HG2 THR 26 2HG2 THR 26 -17.668 -4.157 4.836 210 3HG2 THR 26 3HG2 THR 26 -19.009 -3.011 4.706 211 H ASP 27 H ASP 27 -18.449 0.366 5.465 212 HA ASP 27 HA ASP 27 -16.793 2.762 4.972 213 1HB ASP 27 1HB ASP 27 -19.260 2.554 6.011 214 2HB ASP 27 2HB ASP 27 -18.362 2.349 7.513 215 H ALA 28 H ALA 28 -16.919 -0.136 6.879 216 HA ALA 28 HA ALA 28 -15.239 0.256 8.988 217 1HB ALA 28 1HB ALA 28 -16.531 -1.817 8.534 218 2HB ALA 28 2HB ALA 28 -14.840 -2.175 8.929 219 3HB ALA 28 3HB ALA 28 -15.387 -2.246 7.242 220 H ILE 29 H ILE 29 -14.246 -0.157 5.650 221 HA ILE 29 HA ILE 29 -11.516 -0.829 5.844 222 HB ILE 29 HB ILE 29 -11.300 -0.114 3.621 223 1HG1 ILE 29 1HG1 ILE 29 -13.554 0.899 2.559 224 2HG1 ILE 29 2HG1 ILE 29 -13.747 1.549 4.195 225 1HG2 ILE 29 1HG2 ILE 29 -13.644 -1.759 4.456 226 2HG2 ILE 29 2HG2 ILE 29 -13.566 -1.301 2.770 227 3HG2 ILE 29 3HG2 ILE 29 -12.216 -2.179 3.550 228 1HD1 ILE 29 1HD1 ILE 29 -11.216 2.222 3.893 229 2HD1 ILE 29 2HD1 ILE 29 -11.554 2.017 2.174 230 3HD1 ILE 29 3HD1 ILE 29 -12.478 3.211 3.132 231 H ASN 30 H ASN 30 -13.016 2.162 6.674 232 HA ASN 30 HA ASN 30 -10.894 3.976 6.599 233 1HB ASN 30 1HB ASN 30 -13.322 4.280 7.305 234 2HB ASN 30 2HB ASN 30 -12.938 3.528 8.839 235 1HD2 ASN 30 1HD2 ASN 30 -12.121 6.301 6.733 236 2HD2 ASN 30 2HD2 ASN 30 -11.442 7.311 7.985 237 H GLU 31 H GLU 31 -11.367 1.234 8.652 238 HA GLU 31 HA GLU 31 -8.847 1.771 10.196 239 1HB GLU 31 1HB GLU 31 -11.505 0.594 11.082 240 2HB GLU 31 2HB GLU 31 -10.027 0.416 12.024 241 1HG GLU 31 1HG GLU 31 -10.984 3.181 11.211 242 2HG GLU 31 2HG GLU 31 -11.707 2.331 12.577 243 H ASP 32 H ASP 32 -11.121 -0.665 8.846 244 HA ASP 32 HA ASP 32 -9.710 -2.961 9.535 245 1HB ASP 32 1HB ASP 32 -12.087 -2.675 8.661 246 2HB ASP 32 2HB ASP 32 -11.405 -2.603 7.036 247 H PHE 33 H PHE 33 -9.052 -0.678 6.997 248 HA PHE 33 HA PHE 33 -7.144 -2.214 5.455 249 1HB PHE 33 1HB PHE 33 -8.290 -0.212 4.584 250 2HB PHE 33 2HB PHE 33 -7.591 0.776 5.855 251 HD1 PHE 33 HD1 PHE 33 -5.365 1.677 5.705 252 HD2 PHE 33 HD2 PHE 33 -6.784 -1.172 2.785 253 HE1 PHE 33 HE1 PHE 33 -3.416 2.167 4.272 254 HE2 PHE 33 HE2 PHE 33 -4.815 -0.648 1.351 255 HZ PHE 33 HZ PHE 33 -3.110 0.960 2.118 256 H TYR 34 H TYR 34 -6.899 0.150 8.111 257 HA TYR 34 HA TYR 34 -4.005 0.290 8.310 258 1HB TYR 34 1HB TYR 34 -6.241 0.952 10.274 259 2HB TYR 34 2HB TYR 34 -4.532 1.217 10.561 260 HD1 TYR 34 HD1 TYR 34 -3.603 3.289 10.008 261 HD2 TYR 34 HD2 TYR 34 -7.228 2.077 8.013 262 HE1 TYR 34 HE1 TYR 34 -3.609 5.407 8.728 263 HE2 TYR 34 HE2 TYR 34 -7.223 4.154 6.724 264 HH TYR 34 HH TYR 34 -5.983 6.716 7.256 265 H ASN 35 H ASN 35 -6.587 -1.625 9.928 266 HA ASN 35 HA ASN 35 -4.900 -3.082 11.712 267 1HB ASN 35 1HB ASN 35 -7.511 -4.083 10.523 268 2HB ASN 35 2HB ASN 35 -6.694 -4.667 11.955 269 1HD2 ASN 35 1HD2 ASN 35 -9.441 -3.656 12.036 270 2HD2 ASN 35 2HD2 ASN 35 -9.386 -2.249 13.063 271 H PHE 36 H PHE 36 -5.221 -3.487 8.218 272 HA PHE 36 HA PHE 36 -4.573 -6.225 8.009 273 1HB PHE 36 1HB PHE 36 -5.247 -4.812 6.107 274 2HB PHE 36 2HB PHE 36 -3.735 -3.914 6.262 275 HD1 PHE 36 HD1 PHE 36 -3.026 -4.207 4.030 276 HD2 PHE 36 HD2 PHE 36 -3.764 -7.648 6.507 277 HE1 PHE 36 HE1 PHE 36 -1.851 -5.635 2.407 278 HE2 PHE 36 HE2 PHE 36 -2.678 -9.094 4.825 279 HZ PHE 36 HZ PHE 36 -1.706 -8.093 2.776 280 H TRP 37 H TRP 37 -2.556 -3.419 8.810 281 HA TRP 37 HA TRP 37 -0.056 -4.747 8.361 282 1HB TRP 37 1HB TRP 37 -0.613 -2.458 10.279 283 2HB TRP 37 2HB TRP 37 0.906 -2.834 9.467 284 HD1 TRP 37 HD1 TRP 37 -0.607 -3.203 6.547 285 HE1 TRP 37 HE1 TRP 37 -1.378 -1.165 5.268 286 HE3 TRP 37 HE3 TRP 37 -0.857 0.099 10.440 287 HZ2 TRP 37 HZ2 TRP 37 -1.989 1.609 5.850 288 HZ3 TRP 37 HZ3 TRP 37 -1.586 2.419 10.042 289 HH2 TRP 37 HH2 TRP 37 -2.111 3.212 7.738 290 H LYS 38 H LYS 38 -2.326 -4.657 11.044 291 HA LYS 38 HA LYS 38 -0.485 -4.858 13.184 292 1HB LYS 38 1HB LYS 38 -3.476 -5.469 13.007 293 2HB LYS 38 2HB LYS 38 -2.549 -5.471 14.508 294 1HG LYS 38 1HG LYS 38 -1.895 -3.141 14.186 295 2HG LYS 38 2HG LYS 38 -2.763 -3.043 12.650 296 1HD LYS 38 1HD LYS 38 -4.887 -3.035 13.705 297 2HD LYS 38 2HD LYS 38 -4.308 -3.889 15.078 298 1HE LYS 38 1HE LYS 38 -2.887 -1.806 15.618 299 2HE LYS 38 2HE LYS 38 -3.802 -0.966 14.356 300 1HZ LYS 38 1HZ LYS 38 -4.970 -2.215 16.777 301 2HZ LYS 38 2HZ LYS 38 -4.688 -0.607 16.576 302 3HZ LYS 38 3HZ LYS 38 -5.811 -1.343 15.654 303 H GLU 39 H GLU 39 0.772 -6.465 13.647 304 HA GLU 39 HA GLU 39 0.859 -8.772 12.258 305 1HB GLU 39 1HB GLU 39 2.031 -8.120 15.000 306 2HB GLU 39 2HB GLU 39 2.419 -9.593 14.104 307 1HG GLU 39 1HG GLU 39 4.140 -8.262 13.410 308 2HG GLU 39 2HG GLU 39 2.964 -8.036 12.117 309 H GLY 40 H GLY 40 0.515 -10.847 12.530 310 1HA GLY 40 1HA GLY 40 -0.640 -12.146 14.846 311 2HA GLY 40 2HA GLY 40 -0.297 -12.872 13.275 312 H TYR 41 H TYR 41 -2.374 -10.086 13.097 313 HA TYR 41 HA TYR 41 -4.954 -11.085 13.544 314 1HB TYR 41 1HB TYR 41 -3.678 -8.758 13.278 315 2HB TYR 41 2HB TYR 41 -4.077 -8.920 11.610 316 HD1 TYR 41 HD1 TYR 41 -4.688 -7.220 14.373 317 HD2 TYR 41 HD2 TYR 41 -6.965 -9.449 11.472 318 HE1 TYR 41 HE1 TYR 41 -6.598 -5.718 14.730 319 HE2 TYR 41 HE2 TYR 41 -8.888 -7.957 11.824 320 HH TYR 41 HH TYR 41 -9.561 -5.808 12.827 321 H GLU 42 H GLU 42 -6.439 -11.841 11.942 322 HA GLU 42 HA GLU 42 -5.170 -12.931 9.492 323 1HB GLU 42 1HB GLU 42 -6.148 -14.558 11.189 324 2HB GLU 42 2HB GLU 42 -7.753 -13.955 10.718 325 1HG GLU 42 1HG GLU 42 -7.186 -14.419 8.336 326 2HG GLU 42 2HG GLU 42 -5.571 -14.930 8.832 327 H ILE 43 H ILE 43 -5.300 -11.025 8.254 328 HA ILE 43 HA ILE 43 -8.020 -10.281 7.381 329 HB ILE 43 HB ILE 43 -5.294 -9.101 6.782 330 1HG1 ILE 43 1HG1 ILE 43 -6.613 -7.174 8.148 331 2HG1 ILE 43 2HG1 ILE 43 -7.410 -8.546 8.872 332 1HG2 ILE 43 1HG2 ILE 43 -8.118 -8.243 6.016 333 2HG2 ILE 43 2HG2 ILE 43 -6.696 -7.194 5.897 334 3HG2 ILE 43 3HG2 ILE 43 -6.779 -8.662 4.926 335 1HD1 ILE 43 1HD1 ILE 43 -4.384 -8.187 8.810 336 2HD1 ILE 43 2HD1 ILE 43 -5.460 -7.568 10.085 337 3HD1 ILE 43 3HD1 ILE 43 -5.325 -9.320 9.788 338 H LYS 44 H LYS 44 -8.820 -11.607 5.848 339 HA LYS 44 HA LYS 44 -7.123 -12.402 3.577 340 1HB LYS 44 1HB LYS 44 -8.179 -14.529 3.609 341 2HB LYS 44 2HB LYS 44 -7.273 -14.198 5.102 342 1HG LYS 44 1HG LYS 44 -9.225 -13.909 6.369 343 2HG LYS 44 2HG LYS 44 -10.243 -13.703 4.939 344 1HD LYS 44 1HD LYS 44 -10.555 -15.917 6.043 345 2HD LYS 44 2HD LYS 44 -10.065 -16.030 4.345 346 1HE LYS 44 1HE LYS 44 -7.706 -16.436 5.037 347 2HE LYS 44 2HE LYS 44 -8.188 -16.258 6.734 348 1HZ LYS 44 1HZ LYS 44 -9.744 -18.112 6.337 349 2HZ LYS 44 2HZ LYS 44 -9.046 -18.407 4.902 350 3HZ LYS 44 3HZ LYS 44 -8.162 -18.543 6.310 351 H ASN 45 H ASN 45 -9.830 -10.648 4.503 352 HA ASN 45 HA ASN 45 -11.608 -11.623 2.391 353 1HB ASN 45 1HB ASN 45 -12.606 -10.909 4.457 354 2HB ASN 45 2HB ASN 45 -11.952 -9.269 4.280 355 1HD2 ASN 45 1HD2 ASN 45 -13.350 -7.783 3.155 356 2HD2 ASN 45 2HD2 ASN 45 -14.700 -8.364 2.140 357 H ARG 46 H ARG 46 -12.506 -10.310 0.890 358 HA ARG 46 HA ARG 46 -10.776 -9.472 -1.086 359 1HB ARG 46 1HB ARG 46 -13.636 -8.471 -0.940 360 2HB ARG 46 2HB ARG 46 -12.682 -8.892 -2.359 361 1HG ARG 46 1HG ARG 46 -12.860 -11.271 -1.752 362 2HG ARG 46 2HG ARG 46 -13.643 -10.868 -0.264 363 1HD ARG 46 1HD ARG 46 -14.953 -11.482 -2.475 364 2HD ARG 46 2HD ARG 46 -15.589 -10.514 -1.106 365 HE ARG 46 HE ARG 46 -14.424 -9.100 -3.459 366 1HH1 ARG 46 1HH1 ARG 46 -15.615 -7.413 -4.214 367 2HH1 ARG 46 2HH1 ARG 46 -17.267 -7.118 -3.701 368 1HH2 ARG 46 1HH2 ARG 46 -17.399 -10.212 -1.924 369 2HH2 ARG 46 2HH2 ARG 46 -18.348 -8.830 -2.305 370 H GLU 47 H GLU 47 -12.822 -7.348 0.971 371 HA GLU 47 HA GLU 47 -12.367 -5.025 -0.493 372 1HB GLU 47 1HB GLU 47 -13.301 -5.579 2.324 373 2HB GLU 47 2HB GLU 47 -13.169 -3.920 1.743 374 1HG GLU 47 1HG GLU 47 -14.842 -4.167 0.151 375 2HG GLU 47 2HG GLU 47 -14.606 -5.904 0.000 376 H THR 48 H THR 48 -10.318 -6.305 2.131 377 HA THR 48 HA THR 48 -8.712 -3.966 2.434 378 HB THR 48 HB THR 48 -7.883 -6.894 2.605 379 HG1 THR 48 HG1 THR 48 -9.576 -6.450 4.002 380 1HG2 THR 48 1HG2 THR 48 -5.949 -5.284 2.528 381 2HG2 THR 48 2HG2 THR 48 -6.655 -4.416 3.912 382 3HG2 THR 48 3HG2 THR 48 -6.099 -6.095 4.076 383 H GLY 49 H GLY 49 -8.520 -6.650 0.060 384 1HA GLY 49 1HA GLY 49 -7.530 -6.818 -1.986 385 2HA GLY 49 2HA GLY 49 -6.227 -5.761 -1.419 386 H CYS 50 H CYS 50 -9.792 -5.427 -2.076 387 HA CYS 50 HA CYS 50 -9.666 -3.763 -4.234 388 1HB CYS 50 1HB CYS 50 -11.602 -3.343 -1.971 389 2HB CYS 50 2HB CYS 50 -11.844 -2.962 -3.632 390 H ALA 51 H ALA 51 -9.354 -2.704 -0.797 391 HA ALA 51 HA ALA 51 -9.222 0.088 -1.448 392 1HB ALA 51 1HB ALA 51 -8.108 0.306 0.819 393 2HB ALA 51 2HB ALA 51 -8.171 -1.455 0.971 394 3HB ALA 51 3HB ALA 51 -9.671 -0.510 0.860 395 H ILE 52 H ILE 52 -6.591 -2.366 -0.937 396 HA ILE 52 HA ILE 52 -4.404 -0.659 -1.451 397 HB ILE 52 HB ILE 52 -4.799 -3.612 -1.947 398 1HG1 ILE 52 1HG1 ILE 52 -3.371 -2.200 0.346 399 2HG1 ILE 52 2HG1 ILE 52 -5.044 -2.712 0.431 400 1HG2 ILE 52 1HG2 ILE 52 -2.872 -2.734 -3.297 401 2HG2 ILE 52 2HG2 ILE 52 -2.163 -2.086 -1.814 402 3HG2 ILE 52 3HG2 ILE 52 -2.364 -3.835 -2.035 403 1HD1 ILE 52 1HD1 ILE 52 -4.320 -5.062 -0.051 404 2HD1 ILE 52 2HD1 ILE 52 -2.635 -4.490 0.128 405 3HD1 ILE 52 3HD1 ILE 52 -3.760 -4.369 1.490 406 H MET 53 H MET 53 -6.240 -2.739 -3.698 407 HA MET 53 HA MET 53 -4.953 -2.116 -6.088 408 1HB MET 53 1HB MET 53 -6.435 -4.057 -5.520 409 2HB MET 53 2HB MET 53 -7.800 -3.021 -5.497 410 1HG MET 53 1HG MET 53 -6.428 -2.751 -7.994 411 2HG MET 53 2HG MET 53 -6.542 -4.451 -7.629 412 1HE MET 53 1HE MET 53 -8.561 -1.177 -7.634 413 2HE MET 53 2HE MET 53 -10.241 -1.701 -7.835 414 3HE MET 53 3HE MET 53 -9.410 -2.001 -6.297 415 H CYS 54 H CYS 54 -7.625 -0.365 -4.472 416 HA CYS 54 HA CYS 54 -8.013 1.459 -6.745 417 1HB CYS 54 1HB CYS 54 -9.821 0.623 -5.240 418 2HB CYS 54 2HB CYS 54 -9.108 1.528 -3.905 419 H LEU 55 H LEU 55 -6.334 1.404 -3.588 420 HA LEU 55 HA LEU 55 -5.561 4.133 -3.561 421 1HB LEU 55 1HB LEU 55 -4.568 1.578 -2.267 422 2HB LEU 55 2HB LEU 55 -3.600 3.026 -2.129 423 HG LEU 55 HG LEU 55 -6.539 3.097 -1.407 424 1HD1 LEU 55 1HD1 LEU 55 -4.196 2.216 0.303 425 2HD1 LEU 55 2HD1 LEU 55 -5.748 2.771 0.972 426 3HD1 LEU 55 3HD1 LEU 55 -5.677 1.320 -0.042 427 1HD2 LEU 55 1HD2 LEU 55 -5.096 5.168 -1.790 428 2HD2 LEU 55 2HD2 LEU 55 -5.852 5.035 -0.174 429 3HD2 LEU 55 3HD2 LEU 55 -4.114 4.644 -0.413 430 H SER 56 H SER 56 -4.187 1.374 -5.367 431 HA SER 56 HA SER 56 -1.648 2.592 -5.721 432 1HB SER 56 1HB SER 56 -1.253 0.786 -7.277 433 2HB SER 56 2HB SER 56 -2.016 0.188 -5.830 434 HG SER 56 HG SER 56 -2.631 -0.492 -7.992 435 H THR 57 H THR 57 -4.501 3.742 -6.804 436 HA THR 57 HA THR 57 -3.255 5.209 -9.068 437 HB THR 57 HB THR 57 -4.582 3.666 -10.160 438 HG1 THR 57 HG1 THR 57 -6.660 5.146 -10.443 439 1HG2 THR 57 1HG2 THR 57 -6.844 4.129 -8.223 440 2HG2 THR 57 2HG2 THR 57 -6.974 3.204 -9.733 441 3HG2 THR 57 3HG2 THR 57 -5.908 2.638 -8.452 442 H LYS 58 H LYS 58 -3.673 5.561 -6.115 443 HA LYS 58 HA LYS 58 -4.815 8.325 -6.176 444 1HB LYS 58 1HB LYS 58 -5.069 6.123 -4.091 445 2HB LYS 58 2HB LYS 58 -5.417 7.789 -3.717 446 1HG LYS 58 1HG LYS 58 -6.799 6.592 -6.116 447 2HG LYS 58 2HG LYS 58 -7.392 6.176 -4.507 448 1HD LYS 58 1HD LYS 58 -7.710 8.443 -3.903 449 2HD LYS 58 2HD LYS 58 -7.059 8.975 -5.477 450 1HE LYS 58 1HE LYS 58 -9.390 7.043 -5.278 451 2HE LYS 58 2HE LYS 58 -9.610 8.783 -5.135 452 1HZ LYS 58 1HZ LYS 58 -8.489 8.964 -7.328 453 2HZ LYS 58 2HZ LYS 58 -8.507 7.324 -7.453 454 3HZ LYS 58 3HZ LYS 58 -9.918 8.121 -7.384 455 H LEU 59 H LEU 59 -2.011 7.331 -6.624 456 HA LEU 59 HA LEU 59 -0.452 7.609 -4.224 457 1HB LEU 59 1HB LEU 59 0.436 8.278 -7.055 458 2HB LEU 59 2HB LEU 59 1.455 7.815 -5.697 459 HG LEU 59 HG LEU 59 -0.548 6.030 -7.152 460 1HD1 LEU 59 1HD1 LEU 59 1.449 6.556 -8.481 461 2HD1 LEU 59 2HD1 LEU 59 2.493 5.962 -7.158 462 3HD1 LEU 59 3HD1 LEU 59 1.392 4.854 -8.010 463 1HD2 LEU 59 1HD2 LEU 59 1.412 5.310 -4.927 464 2HD2 LEU 59 2HD2 LEU 59 -0.370 5.309 -4.807 465 3HD2 LEU 59 3HD2 LEU 59 0.443 4.177 -5.887 466 H ASN 60 H ASN 60 -1.775 9.953 -6.532 467 HA ASN 60 HA ASN 60 -0.431 12.277 -5.585 468 1HB ASN 60 1HB ASN 60 -2.306 13.474 -6.694 469 2HB ASN 60 2HB ASN 60 -1.673 12.196 -7.730 470 1HD2 ASN 60 1HD2 ASN 60 -4.616 13.467 -6.448 471 2HD2 ASN 60 2HD2 ASN 60 -5.582 12.044 -6.743 472 H MET 61 H MET 61 -3.145 10.497 -4.256 473 HA MET 61 HA MET 61 -4.023 12.703 -2.540 474 1HB MET 61 1HB MET 61 -4.643 9.718 -2.473 475 2HB MET 61 2HB MET 61 -5.430 10.947 -1.497 476 1HG MET 61 1HG MET 61 -5.472 10.768 -4.539 477 2HG MET 61 2HG MET 61 -6.780 10.329 -3.446 478 1HE MET 61 1HE MET 61 -7.880 11.693 -1.866 479 2HE MET 61 2HE MET 61 -6.729 12.910 -1.261 480 3HE MET 61 3HE MET 61 -8.242 13.404 -2.060 481 H LEU 62 H LEU 62 -1.981 9.766 -2.345 482 HA LEU 62 HA LEU 62 -1.525 9.900 0.477 483 1HB LEU 62 1HB LEU 62 0.023 8.595 -1.816 484 2HB LEU 62 2HB LEU 62 0.203 8.169 -0.145 485 HG LEU 62 HG LEU 62 -2.359 7.848 -1.715 486 1HD1 LEU 62 1HD1 LEU 62 -0.533 6.406 -2.509 487 2HD1 LEU 62 2HD1 LEU 62 -0.395 5.701 -0.885 488 3HD1 LEU 62 3HD1 LEU 62 -1.902 5.523 -1.832 489 1HD2 LEU 62 1HD2 LEU 62 -1.571 6.938 1.067 490 2HD2 LEU 62 2HD2 LEU 62 -2.845 8.110 0.625 491 3HD2 LEU 62 3HD2 LEU 62 -3.028 6.413 0.207 492 H ASP 63 H ASP 63 0.194 10.924 -2.415 493 HA ASP 63 HA ASP 63 2.237 12.382 -0.830 494 1HB ASP 63 1HB ASP 63 3.024 10.359 -1.955 495 2HB ASP 63 2HB ASP 63 2.542 11.024 -3.517 496 HA PRO 64 HA PRO 64 -0.163 15.529 -3.122 497 1HB PRO 64 1HB PRO 64 0.626 17.702 -1.601 498 2HB PRO 64 2HB PRO 64 -0.683 16.579 -1.081 499 1HG PRO 64 1HG PRO 64 2.235 16.623 -0.278 500 2HG PRO 64 2HG PRO 64 0.796 16.415 0.768 501 1HD PRO 64 1HD PRO 64 2.279 14.309 -0.086 502 2HD PRO 64 2HD PRO 64 0.494 14.172 0.038 503 H GLU 65 H GLU 65 3.218 15.527 -2.331 504 HA GLU 65 HA GLU 65 3.997 17.663 -4.180 505 1HB GLU 65 1HB GLU 65 5.690 15.533 -2.794 506 2HB GLU 65 2HB GLU 65 6.274 16.988 -3.606 507 1HG GLU 65 1HG GLU 65 5.124 18.388 -1.944 508 2HG GLU 65 2HG GLU 65 4.462 16.936 -1.158 509 H GLY 66 H GLY 66 3.284 14.286 -4.342 510 1HA GLY 66 1HA GLY 66 3.757 13.906 -7.148 511 2HA GLY 66 2HA GLY 66 3.567 12.652 -5.905 512 H ASN 67 H ASN 67 5.569 12.961 -4.230 513 HA ASN 67 HA ASN 67 8.104 12.731 -5.794 514 1HB ASN 67 1HB ASN 67 7.391 12.578 -2.875 515 2HB ASN 67 2HB ASN 67 8.669 11.500 -3.449 516 1HD2 ASN 67 1HD2 ASN 67 7.655 14.969 -3.589 517 2HD2 ASN 67 2HD2 ASN 67 9.317 15.549 -3.690 518 H LEU 68 H LEU 68 5.694 10.684 -4.137 519 HA LEU 68 HA LEU 68 6.628 8.210 -5.276 520 1HB LEU 68 1HB LEU 68 5.251 8.525 -3.171 521 2HB LEU 68 2HB LEU 68 3.888 8.996 -4.179 522 HG LEU 68 HG LEU 68 3.810 6.762 -5.202 523 1HD1 LEU 68 1HD1 LEU 68 6.282 6.251 -3.507 524 2HD1 LEU 68 2HD1 LEU 68 5.260 4.936 -4.083 525 3HD1 LEU 68 3HD1 LEU 68 6.071 5.983 -5.251 526 1HD2 LEU 68 1HD2 LEU 68 2.571 7.194 -3.105 527 2HD2 LEU 68 2HD2 LEU 68 3.122 5.508 -3.189 528 3HD2 LEU 68 3HD2 LEU 68 3.981 6.669 -2.157 529 H HIS 69 H HIS 69 6.168 7.333 -7.266 530 HA HIS 69 HA HIS 69 3.854 8.252 -8.852 531 1HB HIS 69 1HB HIS 69 6.599 7.700 -9.993 532 2HB HIS 69 2HB HIS 69 5.247 8.267 -10.882 533 HD1 HIS 69 HD1 HIS 69 4.686 10.987 -10.634 534 HD2 HIS 69 HD2 HIS 69 8.102 9.467 -8.667 535 HE1 HIS 69 HE1 HIS 69 6.157 12.977 -10.070 536 H HIS 70 H HIS 70 3.405 6.526 -10.544 537 HA HIS 70 HA HIS 70 3.705 3.849 -9.391 538 1HB HIS 70 1HB HIS 70 1.574 4.589 -10.329 539 2HB HIS 70 2HB HIS 70 2.353 4.896 -11.869 540 HD1 HIS 70 HD1 HIS 70 3.337 1.483 -10.550 541 HD2 HIS 70 HD2 HIS 70 0.205 3.333 -12.672 542 HE1 HIS 70 HE1 HIS 70 2.060 -0.374 -11.723 543 H GLY 71 H GLY 71 5.468 2.721 -9.799 544 1HA GLY 71 1HA GLY 71 6.882 2.768 -12.352 545 2HA GLY 71 2HA GLY 71 7.293 1.839 -10.903 546 H ASN 72 H ASN 72 7.055 4.663 -9.368 547 HA ASN 72 HA ASN 72 9.923 4.936 -9.539 548 1HB ASN 72 1HB ASN 72 8.897 6.561 -11.360 549 2HB ASN 72 2HB ASN 72 8.634 7.618 -9.984 550 1HD2 ASN 72 1HD2 ASN 72 10.541 7.605 -12.269 551 2HD2 ASN 72 2HD2 ASN 72 12.156 7.771 -11.578 552 H ALA 73 H ALA 73 9.411 4.058 -7.417 553 HA ALA 73 HA ALA 73 8.603 6.057 -5.387 554 1HB ALA 73 1HB ALA 73 7.697 3.707 -5.380 555 2HB ALA 73 2HB ALA 73 8.557 4.138 -3.905 556 3HB ALA 73 3HB ALA 73 9.351 3.130 -5.128 557 H MET 74 H MET 74 11.455 5.952 -6.966 558 HA MET 74 HA MET 74 13.211 4.652 -5.050 559 1HB MET 74 1HB MET 74 13.310 5.745 -7.848 560 2HB MET 74 2HB MET 74 14.822 5.851 -6.958 561 1HG MET 74 1HG MET 74 13.234 3.276 -7.141 562 2HG MET 74 2HG MET 74 14.431 3.754 -8.346 563 1HE MET 74 1HE MET 74 14.535 0.993 -6.796 564 2HE MET 74 2HE MET 74 15.747 1.481 -8.004 565 3HE MET 74 3HE MET 74 16.266 0.876 -6.421 566 H GLU 75 H GLU 75 12.198 7.923 -5.635 567 HA GLU 75 HA GLU 75 14.340 8.904 -3.802 568 1HB GLU 75 1HB GLU 75 12.776 10.187 -6.043 569 2HB GLU 75 2HB GLU 75 13.342 11.176 -4.694 570 1HG GLU 75 1HG GLU 75 15.649 10.373 -4.984 571 2HG GLU 75 2HG GLU 75 15.112 9.192 -6.167 572 H PHE 76 H PHE 76 10.848 8.481 -4.023 573 HA PHE 76 HA PHE 76 10.183 9.749 -1.534 574 1HB PHE 76 1HB PHE 76 8.407 9.097 -2.935 575 2HB PHE 76 2HB PHE 76 9.087 7.511 -3.244 576 HD1 PHE 76 HD1 PHE 76 8.392 5.666 -2.089 577 HD2 PHE 76 HD2 PHE 76 7.618 9.535 -0.374 578 HE1 PHE 76 HE1 PHE 76 6.730 4.638 -0.512 579 HE2 PHE 76 HE2 PHE 76 6.042 8.512 1.232 580 HZ PHE 76 HZ PHE 76 5.564 6.088 1.140 581 H ALA 77 H ALA 77 11.203 6.328 -2.275 582 HA ALA 77 HA ALA 77 11.377 5.336 0.268 583 1HB ALA 77 1HB ALA 77 13.453 4.991 -2.001 584 2HB ALA 77 2HB ALA 77 13.156 3.868 -0.661 585 3HB ALA 77 3HB ALA 77 11.928 4.123 -1.922 586 H LYS 78 H LYS 78 13.966 7.182 -1.297 587 HA LYS 78 HA LYS 78 15.798 6.933 0.882 588 1HB LYS 78 1HB LYS 78 15.598 8.798 -1.508 589 2HB LYS 78 2HB LYS 78 16.834 9.013 -0.239 590 1HG LYS 78 1HG LYS 78 17.453 6.567 -0.522 591 2HG LYS 78 2HG LYS 78 16.418 6.519 -1.953 592 1HD LYS 78 1HD LYS 78 18.785 8.402 -1.535 593 2HD LYS 78 2HD LYS 78 18.903 6.855 -2.363 594 1HE LYS 78 1HE LYS 78 17.056 9.112 -3.263 595 2HE LYS 78 2HE LYS 78 18.710 8.884 -3.842 596 1HZ LYS 78 1HZ LYS 78 18.107 6.720 -4.660 597 2HZ LYS 78 2HZ LYS 78 16.503 6.969 -4.235 598 3HZ LYS 78 3HZ LYS 78 17.247 7.905 -5.367 599 H LYS 79 H LYS 79 12.998 9.022 0.545 600 HA LYS 79 HA LYS 79 13.766 10.900 2.540 601 1HB LYS 79 1HB LYS 79 10.981 10.011 1.736 602 2HB LYS 79 2HB LYS 79 11.344 11.326 2.803 603 1HG LYS 79 1HG LYS 79 12.914 12.235 0.951 604 2HG LYS 79 2HG LYS 79 12.163 11.032 -0.105 605 1HD LYS 79 1HD LYS 79 9.946 12.089 0.390 606 2HD LYS 79 2HD LYS 79 10.823 13.345 1.299 607 1HE LYS 79 1HE LYS 79 12.308 13.545 -0.859 608 2HE LYS 79 2HE LYS 79 11.040 12.629 -1.658 609 1HZ LYS 79 1HZ LYS 79 9.491 14.411 -0.951 610 2HZ LYS 79 2HZ LYS 79 10.757 15.314 -0.424 611 3HZ LYS 79 3HZ LYS 79 10.653 14.905 -2.008 612 H HIS 80 H HIS 80 12.658 7.513 2.820 613 HA HIS 80 HA HIS 80 12.314 7.964 5.747 614 1HB HIS 80 1HB HIS 80 11.428 5.608 4.139 615 2HB HIS 80 2HB HIS 80 10.882 6.088 5.748 616 HD1 HIS 80 HD1 HIS 80 8.865 8.097 5.726 617 HD2 HIS 80 HD2 HIS 80 10.556 7.025 2.016 618 HE1 HIS 80 HE1 HIS 80 7.324 8.972 3.897 619 H GLY 81 H GLY 81 14.831 7.529 3.995 620 1HA GLY 81 1HA GLY 81 16.287 6.079 5.974 621 2HA GLY 81 2HA GLY 81 16.890 6.589 4.386 622 H ALA 82 H ALA 82 14.972 5.142 2.741 623 HA ALA 82 HA ALA 82 16.253 2.508 3.042 624 1HB ALA 82 1HB ALA 82 13.552 2.942 1.709 625 2HB ALA 82 2HB ALA 82 14.422 1.414 1.958 626 3HB ALA 82 3HB ALA 82 13.735 2.293 3.345 627 H ASP 83 H ASP 83 17.297 1.809 1.147 628 HA ASP 83 HA ASP 83 18.006 4.082 -0.617 629 1HB ASP 83 1HB ASP 83 20.079 2.688 -0.908 630 2HB ASP 83 2HB ASP 83 19.814 3.271 0.686 631 H GLU 84 H GLU 84 19.384 2.504 -2.536 632 HA GLU 84 HA GLU 84 17.192 1.956 -4.335 633 1HB GLU 84 1HB GLU 84 18.960 2.846 -5.558 634 2HB GLU 84 2HB GLU 84 20.151 2.361 -4.359 635 1HG GLU 84 1HG GLU 84 20.125 0.061 -5.230 636 2HG GLU 84 2HG GLU 84 19.078 0.585 -6.569 637 H THR 85 H THR 85 19.561 -0.046 -2.504 638 HA THR 85 HA THR 85 18.768 -2.441 -3.921 639 HB THR 85 HB THR 85 20.359 -1.843 -1.380 640 HG1 THR 85 HG1 THR 85 22.074 -2.313 -2.665 641 1HG2 THR 85 1HG2 THR 85 20.063 -4.555 -2.709 642 2HG2 THR 85 2HG2 THR 85 21.186 -4.141 -1.409 643 3HG2 THR 85 3HG2 THR 85 19.442 -4.124 -1.127 644 H MET 86 H MET 86 17.906 -0.833 -0.856 645 HA MET 86 HA MET 86 16.195 -2.883 0.189 646 1HB MET 86 1HB MET 86 16.530 0.144 0.478 647 2HB MET 86 2HB MET 86 15.209 -0.662 1.257 648 1HG MET 86 1HG MET 86 16.892 -2.163 2.419 649 2HG MET 86 2HG MET 86 18.158 -1.125 1.742 650 1HE MET 86 1HE MET 86 19.282 -0.349 3.839 651 2HE MET 86 2HE MET 86 18.473 0.288 5.287 652 3HE MET 86 3HE MET 86 18.300 -1.427 4.865 653 H ALA 87 H ALA 87 15.445 0.112 -1.735 654 HA ALA 87 HA ALA 87 12.772 -0.566 -2.202 655 1HB ALA 87 1HB ALA 87 14.698 0.752 -4.186 656 2HB ALA 87 2HB ALA 87 13.725 1.601 -2.969 657 3HB ALA 87 3HB ALA 87 12.924 0.762 -4.300 658 H GLN 88 H GLN 88 15.520 -1.458 -4.357 659 HA GLN 88 HA GLN 88 13.904 -2.832 -6.140 660 1HB GLN 88 1HB GLN 88 16.386 -2.045 -6.332 661 2HB GLN 88 2HB GLN 88 16.782 -3.607 -5.647 662 1HG GLN 88 1HG GLN 88 16.871 -3.761 -8.060 663 2HG GLN 88 2HG GLN 88 15.494 -4.712 -7.487 664 1HE2 GLN 88 1HE2 GLN 88 13.880 -4.517 -9.049 665 2HE2 GLN 88 2HE2 GLN 88 13.394 -2.985 -9.780 666 H GLN 89 H GLN 89 15.365 -4.062 -3.173 667 HA GLN 89 HA GLN 89 14.730 -6.834 -3.370 668 1HB GLN 89 1HB GLN 89 15.068 -4.851 -1.117 669 2HB GLN 89 2HB GLN 89 14.457 -6.431 -0.732 670 1HG GLN 89 1HG GLN 89 16.941 -6.227 -2.411 671 2HG GLN 89 2HG GLN 89 17.058 -5.847 -0.717 672 1HE2 GLN 89 1HE2 GLN 89 17.346 -7.557 0.640 673 2HE2 GLN 89 2HE2 GLN 89 16.999 -9.246 0.236 674 H LEU 90 H LEU 90 12.703 -4.046 -2.188 675 HA LEU 90 HA LEU 90 10.464 -5.784 -1.530 676 1HB LEU 90 1HB LEU 90 10.634 -2.793 -2.017 677 2HB LEU 90 2HB LEU 90 9.224 -3.612 -1.401 678 HG LEU 90 HG LEU 90 11.929 -3.429 -0.008 679 1HD1 LEU 90 1HD1 LEU 90 9.288 -2.013 0.533 680 2HD1 LEU 90 2HD1 LEU 90 10.743 -1.899 1.552 681 3HD1 LEU 90 3HD1 LEU 90 10.779 -1.295 -0.099 682 1HD2 LEU 90 1HD2 LEU 90 10.553 -5.513 0.601 683 2HD2 LEU 90 2HD2 LEU 90 11.072 -4.467 1.916 684 3HD2 LEU 90 3HD2 LEU 90 9.404 -4.377 1.354 685 H ILE 91 H ILE 91 11.415 -3.885 -4.341 686 HA ILE 91 HA ILE 91 9.013 -4.215 -5.831 687 HB ILE 91 HB ILE 91 11.902 -3.593 -6.453 688 1HG1 ILE 91 1HG1 ILE 91 9.574 -1.755 -6.990 689 2HG1 ILE 91 2HG1 ILE 91 10.034 -2.011 -5.316 690 1HG2 ILE 91 1HG2 ILE 91 11.121 -4.678 -8.500 691 2HG2 ILE 91 2HG2 ILE 91 9.693 -3.610 -8.507 692 3HG2 ILE 91 3HG2 ILE 91 11.315 -2.936 -8.731 693 1HD1 ILE 91 1HD1 ILE 91 11.970 -1.052 -7.453 694 2HD1 ILE 91 2HD1 ILE 91 11.060 -0.007 -6.325 695 3HD1 ILE 91 3HD1 ILE 91 12.224 -1.158 -5.697 696 H ASP 92 H ASP 92 12.016 -6.204 -5.744 697 HA ASP 92 HA ASP 92 11.169 -8.116 -7.678 698 1HB ASP 92 1HB ASP 92 13.415 -7.754 -6.029 699 2HB ASP 92 2HB ASP 92 12.748 -9.237 -5.416 700 H ILE 93 H ILE 93 10.651 -7.920 -4.219 701 HA ILE 93 HA ILE 93 9.064 -10.256 -3.962 702 HB ILE 93 HB ILE 93 9.253 -7.680 -2.348 703 1HG1 ILE 93 1HG1 ILE 93 10.325 -10.458 -1.887 704 2HG1 ILE 93 2HG1 ILE 93 11.276 -9.199 -2.567 705 1HG2 ILE 93 1HG2 ILE 93 7.680 -10.197 -1.774 706 2HG2 ILE 93 2HG2 ILE 93 8.108 -8.967 -0.557 707 3HG2 ILE 93 3HG2 ILE 93 7.067 -8.543 -1.910 708 1HD1 ILE 93 1HD1 ILE 93 10.115 -9.061 0.232 709 2HD1 ILE 93 2HD1 ILE 93 11.803 -9.349 -0.214 710 3HD1 ILE 93 3HD1 ILE 93 11.049 -7.789 -0.573 711 H VAL 94 H VAL 94 7.865 -6.825 -4.683 712 HA VAL 94 HA VAL 94 5.115 -7.623 -4.673 713 HB VAL 94 HB VAL 94 6.469 -5.472 -6.359 714 1HG1 VAL 94 1HG1 VAL 94 3.473 -5.931 -5.877 715 2HG1 VAL 94 2HG1 VAL 94 4.169 -4.457 -6.571 716 3HG1 VAL 94 3HG1 VAL 94 4.299 -5.960 -7.440 717 1HG2 VAL 94 1HG2 VAL 94 6.592 -5.083 -3.920 718 2HG2 VAL 94 2HG2 VAL 94 5.574 -3.919 -4.751 719 3HG2 VAL 94 3HG2 VAL 94 4.823 -5.240 -3.793 720 H HIS 95 H HIS 95 7.474 -7.459 -7.345 721 HA HIS 95 HA HIS 95 5.626 -8.575 -9.280 722 1HB HIS 95 1HB HIS 95 8.611 -8.049 -9.300 723 2HB HIS 95 2HB HIS 95 7.616 -8.374 -10.729 724 HD1 HIS 95 HD1 HIS 95 9.167 -5.471 -9.608 725 HD2 HIS 95 HD2 HIS 95 5.109 -6.367 -9.604 726 HE1 HIS 95 HE1 HIS 95 7.939 -3.274 -9.926 727 H GLY 96 H GLY 96 7.727 -9.884 -6.935 728 1HA GLY 96 1HA GLY 96 8.232 -12.037 -6.347 729 2HA GLY 96 2HA GLY 96 7.861 -12.566 -8.019 730 H CYS 97 H CYS 97 5.786 -10.792 -5.900 731 HA CYS 97 HA CYS 97 4.326 -13.102 -4.916 732 1HB CYS 97 1HB CYS 97 4.291 -10.138 -4.370 733 2HB CYS 97 2HB CYS 97 2.948 -11.138 -3.843 734 H GLU 98 H GLU 98 3.768 -10.489 -7.253 735 HA GLU 98 HA GLU 98 1.119 -10.832 -7.973 736 1HB GLU 98 1HB GLU 98 3.600 -10.436 -9.632 737 2HB GLU 98 2HB GLU 98 2.062 -10.664 -10.400 738 1HG GLU 98 1HG GLU 98 1.202 -8.686 -8.978 739 2HG GLU 98 2HG GLU 98 2.866 -8.421 -8.532 740 H LYS 99 H LYS 99 3.894 -12.891 -8.666 741 HA LYS 99 HA LYS 99 2.553 -14.593 -10.563 742 1HB LYS 99 1HB LYS 99 5.288 -14.932 -9.379 743 2HB LYS 99 2HB LYS 99 4.633 -15.596 -10.891 744 1HG LYS 99 1HG LYS 99 5.187 -12.703 -10.286 745 2HG LYS 99 2HG LYS 99 6.104 -13.794 -11.331 746 1HD LYS 99 1HD LYS 99 3.245 -13.158 -11.925 747 2HD LYS 99 2HD LYS 99 4.544 -12.070 -12.409 748 1HE LYS 99 1HE LYS 99 5.667 -13.893 -13.650 749 2HE LYS 99 2HE LYS 99 4.388 -15.021 -13.168 750 1HZ LYS 99 1HZ LYS 99 3.968 -12.587 -14.791 751 2HZ LYS 99 2HZ LYS 99 3.978 -14.129 -15.362 752 3HZ LYS 99 3HZ LYS 99 2.806 -13.641 -14.322 753 H SER 100 H SER 100 3.955 -15.125 -7.238 754 HA SER 100 HA SER 100 3.140 -17.854 -7.129 755 1HB SER 100 1HB SER 100 3.396 -17.515 -4.635 756 2HB SER 100 2HB SER 100 4.811 -17.153 -5.619 757 HG SER 100 HG SER 100 3.013 -15.287 -4.476 758 H THR 101 H THR 101 1.394 -14.824 -6.519 759 HA THR 101 HA THR 101 -0.874 -16.078 -5.222 760 HB THR 101 HB THR 101 -0.596 -13.394 -6.650 761 HG1 THR 101 HG1 THR 101 0.765 -13.288 -5.055 762 1HG2 THR 101 1HG2 THR 101 -2.964 -14.060 -6.248 763 2HG2 THR 101 2HG2 THR 101 -2.581 -14.312 -4.532 764 3HG2 THR 101 3HG2 THR 101 -2.464 -12.686 -5.249 765 HA PRO 102 HA PRO 102 -2.184 -17.776 -9.198 766 1HB PRO 102 1HB PRO 102 -4.764 -18.507 -8.610 767 2HB PRO 102 2HB PRO 102 -3.336 -19.436 -8.050 768 1HG PRO 102 1HG PRO 102 -4.925 -17.353 -6.521 769 2HG PRO 102 2HG PRO 102 -4.398 -18.967 -5.966 770 1HD PRO 102 1HD PRO 102 -3.018 -16.706 -5.344 771 2HD PRO 102 2HD PRO 102 -2.159 -18.236 -5.681 772 H ALA 103 H ALA 103 -3.046 -16.776 -10.930 773 HA ALA 103 HA ALA 103 -3.836 -14.033 -10.759 774 1HB ALA 103 1HB ALA 103 -3.943 -16.009 -13.066 775 2HB ALA 103 2HB ALA 103 -2.636 -14.854 -12.671 776 3HB ALA 103 3HB ALA 103 -4.221 -14.254 -13.175 777 H ASN 104 H ASN 104 -5.526 -13.698 -9.743 778 HA ASN 104 HA ASN 104 -7.914 -15.341 -9.699 779 1HB ASN 104 1HB ASN 104 -6.823 -13.752 -7.904 780 2HB ASN 104 2HB ASN 104 -7.756 -12.508 -8.682 781 1HD2 ASN 104 1HD2 ASN 104 -7.762 -14.255 -6.085 782 2HD2 ASN 104 2HD2 ASN 104 -9.476 -14.551 -5.845 783 H ASP 105 H ASP 105 -9.928 -14.852 -10.574 784 HA ASP 105 HA ASP 105 -10.375 -13.357 -12.853 785 1HB ASP 105 1HB ASP 105 -11.761 -15.122 -11.774 786 2HB ASP 105 2HB ASP 105 -12.334 -13.922 -10.610 787 H ASP 106 H ASP 106 -10.391 -12.573 -9.406 788 HA ASP 106 HA ASP 106 -11.584 -9.906 -9.726 789 1HB ASP 106 1HB ASP 106 -12.362 -11.754 -8.104 790 2HB ASP 106 2HB ASP 106 -10.861 -11.607 -7.330 791 H LYS 107 H LYS 107 -9.956 -8.309 -10.206 792 HA LYS 107 HA LYS 107 -7.263 -8.601 -9.598 793 1HB LYS 107 1HB LYS 107 -8.800 -6.751 -11.031 794 2HB LYS 107 2HB LYS 107 -8.321 -5.801 -9.659 795 1HG LYS 107 1HG LYS 107 -6.502 -5.395 -10.947 796 2HG LYS 107 2HG LYS 107 -5.907 -6.844 -10.148 797 1HD LYS 107 1HD LYS 107 -5.658 -7.791 -12.171 798 2HD LYS 107 2HD LYS 107 -7.391 -7.829 -12.387 799 1HE LYS 107 1HE LYS 107 -7.364 -5.520 -13.298 800 2HE LYS 107 2HE LYS 107 -5.617 -5.431 -13.043 801 1HZ LYS 107 1HZ LYS 107 -5.424 -7.331 -14.647 802 2HZ LYS 107 2HZ LYS 107 -7.029 -7.125 -15.023 803 3HZ LYS 107 3HZ LYS 107 -5.978 -5.937 -15.301 804 H CYS 108 H CYS 108 -9.879 -7.416 -7.638 805 HA CYS 108 HA CYS 108 -8.314 -5.956 -5.670 806 1HB CYS 108 1HB CYS 108 -10.404 -5.323 -5.458 807 2HB CYS 108 2HB CYS 108 -11.130 -6.749 -6.078 808 H ILE 109 H ILE 109 -9.976 -9.015 -5.570 809 HA ILE 109 HA ILE 109 -8.722 -10.047 -3.229 810 HB ILE 109 HB ILE 109 -9.923 -11.602 -5.582 811 1HG1 ILE 109 1HG1 ILE 109 -11.064 -10.773 -2.891 812 2HG1 ILE 109 2HG1 ILE 109 -11.487 -9.980 -4.391 813 1HG2 ILE 109 1HG2 ILE 109 -8.434 -12.999 -4.167 814 2HG2 ILE 109 2HG2 ILE 109 -9.311 -12.477 -2.718 815 3HG2 ILE 109 3HG2 ILE 109 -10.108 -13.470 -3.966 816 1HD1 ILE 109 1HD1 ILE 109 -12.291 -12.243 -5.269 817 2HD1 ILE 109 2HD1 ILE 109 -12.179 -12.785 -3.575 818 3HD1 ILE 109 3HD1 ILE 109 -13.242 -11.433 -4.007 819 H TRP 110 H TRP 110 -7.619 -10.436 -6.618 820 HA TRP 110 HA TRP 110 -5.280 -11.939 -6.069 821 1HB TRP 110 1HB TRP 110 -6.020 -11.395 -8.347 822 2HB TRP 110 2HB TRP 110 -5.727 -9.698 -8.085 823 HD1 TRP 110 HD1 TRP 110 -3.803 -13.008 -8.216 824 HE1 TRP 110 HE1 TRP 110 -1.422 -12.569 -9.220 825 HE3 TRP 110 HE3 TRP 110 -4.064 -7.934 -8.647 826 HZ2 TRP 110 HZ2 TRP 110 -0.059 -10.304 -10.437 827 HZ3 TRP 110 HZ3 TRP 110 -2.375 -6.695 -9.985 828 HH2 TRP 110 HH2 TRP 110 -0.391 -7.869 -10.879 829 H THR 111 H THR 111 -5.661 -8.361 -6.131 830 HA THR 111 HA THR 111 -3.109 -7.692 -5.287 831 HB THR 111 HB THR 111 -5.799 -6.321 -5.121 832 HG1 THR 111 HG1 THR 111 -5.331 -6.599 -7.134 833 1HG2 THR 111 1HG2 THR 111 -3.144 -5.176 -4.378 834 2HG2 THR 111 2HG2 THR 111 -4.303 -4.182 -5.329 835 3HG2 THR 111 3HG2 THR 111 -4.759 -4.847 -3.759 836 H LEU 112 H LEU 112 -5.886 -8.741 -3.219 837 HA LEU 112 HA LEU 112 -4.696 -7.989 -0.714 838 1HB LEU 112 1HB LEU 112 -7.102 -8.486 -0.982 839 2HB LEU 112 2HB LEU 112 -6.761 -10.093 -1.501 840 HG LEU 112 HG LEU 112 -7.616 -9.732 0.820 841 1HD1 LEU 112 1HD1 LEU 112 -6.485 -11.788 -0.059 842 2HD1 LEU 112 2HD1 LEU 112 -5.021 -11.268 0.802 843 3HD1 LEU 112 3HD1 LEU 112 -6.513 -11.581 1.705 844 1HD2 LEU 112 1HD2 LEU 112 -6.157 -7.782 1.406 845 2HD2 LEU 112 2HD2 LEU 112 -6.153 -9.083 2.617 846 3HD2 LEU 112 3HD2 LEU 112 -4.777 -8.888 1.525 847 H GLY 113 H GLY 113 -4.824 -10.975 -2.683 848 1HA GLY 113 1HA GLY 113 -3.358 -12.708 -2.929 849 2HA GLY 113 2HA GLY 113 -3.202 -12.691 -1.167 850 H VAL 114 H VAL 114 -2.144 -10.588 -3.905 851 HA VAL 114 HA VAL 114 0.604 -11.009 -3.743 852 HB VAL 114 HB VAL 114 -0.962 -8.584 -4.665 853 1HG1 VAL 114 1HG1 VAL 114 1.930 -9.335 -5.299 854 2HG1 VAL 114 2HG1 VAL 114 1.010 -8.005 -6.028 855 3HG1 VAL 114 3HG1 VAL 114 1.415 -7.941 -4.323 856 1HG2 VAL 114 1HG2 VAL 114 0.121 -11.084 -6.041 857 2HG2 VAL 114 2HG2 VAL 114 -1.567 -10.582 -5.934 858 3HG2 VAL 114 3HG2 VAL 114 -0.459 -9.662 -6.928 859 H ALA 115 H ALA 115 -1.317 -8.366 -2.106 860 HA ALA 115 HA ALA 115 0.960 -7.286 -0.803 861 1HB ALA 115 1HB ALA 115 -1.205 -6.107 -1.147 862 2HB ALA 115 2HB ALA 115 -0.645 -6.043 0.532 863 3HB ALA 115 3HB ALA 115 -1.956 -7.160 0.075 864 H THR 116 H THR 116 -1.233 -9.900 0.229 865 HA THR 116 HA THR 116 -0.158 -10.029 2.928 866 HB THR 116 HB THR 116 -1.678 -12.177 1.390 867 HG1 THR 116 HG1 THR 116 -2.863 -10.302 1.312 868 1HG2 THR 116 1HG2 THR 116 -1.525 -11.529 4.375 869 2HG2 THR 116 2HG2 THR 116 -2.530 -12.792 3.631 870 3HG2 THR 116 3HG2 THR 116 -0.766 -12.924 3.585 871 H CYS 117 H CYS 117 0.625 -11.507 -0.215 872 HA CYS 117 HA CYS 117 2.642 -13.300 0.733 873 1HB CYS 117 1HB CYS 117 1.721 -13.642 -1.417 874 2HB CYS 117 2HB CYS 117 2.070 -12.009 -1.939 875 H PHE 118 H PHE 118 2.805 -9.849 -0.510 876 HA PHE 118 HA PHE 118 5.474 -9.456 -0.259 877 1HB PHE 118 1HB PHE 118 3.823 -7.926 -1.255 878 2HB PHE 118 2HB PHE 118 3.202 -7.509 0.332 879 HD1 PHE 118 HD1 PHE 118 6.727 -7.770 0.533 880 HD2 PHE 118 HD2 PHE 118 3.612 -5.153 -0.789 881 HE1 PHE 118 HE1 PHE 118 8.347 -5.945 0.361 882 HE2 PHE 118 HE2 PHE 118 5.188 -3.228 -0.617 883 HZ PHE 118 HZ PHE 118 7.533 -3.606 -0.100 884 H LYS 119 H LYS 119 3.180 -8.584 2.248 885 HA LYS 119 HA LYS 119 4.575 -7.890 4.440 886 1HB LYS 119 1HB LYS 119 2.052 -8.528 4.210 887 2HB LYS 119 2HB LYS 119 2.493 -10.098 4.778 888 1HG LYS 119 1HG LYS 119 3.507 -9.050 6.854 889 2HG LYS 119 2HG LYS 119 2.930 -7.487 6.288 890 1HD LYS 119 1HD LYS 119 0.587 -8.793 6.154 891 2HD LYS 119 2HD LYS 119 1.374 -9.850 7.319 892 1HE LYS 119 1HE LYS 119 0.693 -6.906 7.587 893 2HE LYS 119 2HE LYS 119 0.046 -8.258 8.508 894 1HZ LYS 119 1HZ LYS 119 2.410 -8.530 9.369 895 2HZ LYS 119 2HZ LYS 119 2.707 -7.024 8.733 896 3HZ LYS 119 3HZ LYS 119 1.576 -7.181 9.871 897 H ALA 120 H ALA 120 3.889 -11.238 3.795 898 HA ALA 120 HA ALA 120 5.548 -12.342 5.816 899 1HB ALA 120 1HB ALA 120 5.179 -14.501 4.707 900 2HB ALA 120 2HB ALA 120 3.683 -13.562 4.818 901 3HB ALA 120 3HB ALA 120 4.557 -13.661 3.269 902 H GLU 121 H GLU 121 6.467 -11.552 2.382 903 HA GLU 121 HA GLU 121 9.073 -12.772 2.562 904 1HB GLU 121 1HB GLU 121 7.896 -10.607 0.830 905 2HB GLU 121 2HB GLU 121 9.578 -11.095 0.710 906 1HG GLU 121 1HG GLU 121 7.307 -13.092 0.413 907 2HG GLU 121 2HG GLU 121 7.937 -12.148 -0.922 908 H ILE 122 H ILE 122 7.840 -9.419 3.292 909 HA ILE 122 HA ILE 122 10.364 -8.412 4.049 910 HB ILE 122 HB ILE 122 7.640 -7.726 5.190 911 1HG1 ILE 122 1HG1 ILE 122 9.204 -6.472 2.940 912 2HG1 ILE 122 2HG1 ILE 122 7.727 -7.401 2.796 913 1HG2 ILE 122 1HG2 ILE 122 9.433 -7.018 6.738 914 2HG2 ILE 122 2HG2 ILE 122 10.245 -6.192 5.394 915 3HG2 ILE 122 3HG2 ILE 122 8.650 -5.651 6.005 916 1HD1 ILE 122 1HD1 ILE 122 6.504 -5.731 4.184 917 2HD1 ILE 122 2HD1 ILE 122 7.948 -4.694 4.156 918 3HD1 ILE 122 3HD1 ILE 122 7.111 -5.081 2.662 919 H HIS 123 H HIS 123 8.158 -10.581 5.829 920 HA HIS 123 HA HIS 123 9.628 -10.484 8.273 921 1HB HIS 123 1HB HIS 123 7.260 -11.579 7.571 922 2HB HIS 123 2HB HIS 123 8.258 -13.038 7.513 923 HD1 HIS 123 HD1 HIS 123 9.322 -13.815 9.952 924 HD2 HIS 123 HD2 HIS 123 6.970 -10.299 9.902 925 HE1 HIS 123 HE1 HIS 123 8.946 -13.141 12.371 926 H LYS 124 H LYS 124 10.450 -12.015 5.231 927 HA LYS 124 HA LYS 124 12.469 -13.807 6.458 928 1HB LYS 124 1HB LYS 124 11.729 -13.230 3.567 929 2HB LYS 124 2HB LYS 124 12.976 -14.349 4.065 930 1HG LYS 124 1HG LYS 124 11.544 -16.008 4.588 931 2HG LYS 124 2HG LYS 124 10.404 -14.953 5.396 932 1HD LYS 124 1HD LYS 124 9.070 -14.743 3.610 933 2HD LYS 124 2HD LYS 124 10.394 -14.528 2.472 934 1HE LYS 124 1HE LYS 124 10.028 -17.292 3.527 935 2HE LYS 124 2HE LYS 124 8.708 -16.653 2.533 936 1HZ LYS 124 1HZ LYS 124 10.312 -16.087 0.828 937 2HZ LYS 124 2HZ LYS 124 11.538 -16.748 1.682 938 3HZ LYS 124 3HZ LYS 124 10.312 -17.696 1.105 939 H LEU 125 H LEU 125 12.252 -10.639 4.754 940 HA LEU 125 HA LEU 125 15.055 -10.281 4.327 941 1HB LEU 125 1HB LEU 125 12.899 -8.263 4.992 942 2HB LEU 125 2HB LEU 125 14.515 -7.768 4.716 943 HG LEU 125 HG LEU 125 13.028 -9.289 2.550 944 1HD1 LEU 125 1HD1 LEU 125 13.219 -6.270 2.986 945 2HD1 LEU 125 2HD1 LEU 125 12.641 -7.060 1.503 946 3HD1 LEU 125 3HD1 LEU 125 11.746 -7.239 3.006 947 1HD2 LEU 125 1HD2 LEU 125 15.541 -7.547 2.711 948 2HD2 LEU 125 2HD2 LEU 125 15.437 -9.254 2.240 949 3HD2 LEU 125 3HD2 LEU 125 14.788 -8.007 1.164 950 H ASN 126 H ASN 126 16.514 -8.899 5.533 951 HA ASN 126 HA ASN 126 16.541 -9.445 8.389 952 1HB ASN 126 1HB ASN 126 18.839 -9.111 8.163 953 2HB ASN 126 2HB ASN 126 18.379 -10.196 6.879 954 1HD2 ASN 126 1HD2 ASN 126 20.791 -9.092 6.619 955 2HD2 ASN 126 2HD2 ASN 126 20.821 -7.788 5.444 956 H TRP 127 H TRP 127 15.473 -6.958 6.468 957 HA TRP 127 HA TRP 127 15.796 -5.070 8.720 958 1HB TRP 127 1HB TRP 127 15.685 -3.182 7.231 959 2HB TRP 127 2HB TRP 127 17.099 -4.143 6.894 960 HD1 TRP 127 HD1 TRP 127 16.579 -6.022 4.720 961 HE1 TRP 127 HE1 TRP 127 15.666 -5.435 2.439 962 HE3 TRP 127 HE3 TRP 127 14.377 -1.512 5.852 963 HZ2 TRP 127 HZ2 TRP 127 13.881 -3.490 1.309 964 HZ3 TRP 127 HZ3 TRP 127 13.197 -0.254 4.062 965 HH2 TRP 127 HH2 TRP 127 12.912 -1.249 1.808 966 H ALA 128 H ALA 128 13.871 -3.435 8.394 967 HA ALA 128 HA ALA 128 11.445 -4.731 7.359 968 1HB ALA 128 1HB ALA 128 11.684 -3.528 10.146 969 2HB ALA 128 2HB ALA 128 11.307 -5.215 9.719 970 3HB ALA 128 3HB ALA 128 10.160 -3.923 9.321 971 HA PRO 129 HA PRO 129 11.779 -0.448 5.782 972 1HB PRO 129 1HB PRO 129 9.095 -0.970 4.624 973 2HB PRO 129 2HB PRO 129 10.595 -0.504 3.778 974 1HG PRO 129 1HG PRO 129 9.507 -3.038 3.593 975 2HG PRO 129 2HG PRO 129 11.261 -2.749 3.554 976 1HD PRO 129 1HD PRO 129 9.608 -3.654 5.877 977 2HD PRO 129 2HD PRO 129 11.231 -4.200 5.310 978 H SER 130 H SER 130 10.617 1.513 6.408 979 HA SER 130 HA SER 130 8.746 1.294 8.608 980 1HB SER 130 1HB SER 130 9.182 3.571 6.678 981 2HB SER 130 2HB SER 130 8.488 3.661 8.298 982 HG SER 130 HG SER 130 11.175 3.283 7.504 983 H MET 131 H MET 131 6.424 1.936 8.381 984 HA MET 131 HA MET 131 5.149 0.242 6.506 985 1HB MET 131 1HB MET 131 4.194 2.371 8.439 986 2HB MET 131 2HB MET 131 3.105 1.624 7.277 987 1HG MET 131 1HG MET 131 2.879 0.320 9.098 988 2HG MET 131 2HG MET 131 3.938 -0.660 8.123 989 1HE MET 131 1HE MET 131 5.992 -1.592 8.775 990 2HE MET 131 2HE MET 131 7.103 -0.239 9.059 991 3HE MET 131 3HE MET 131 6.830 -1.416 10.339 992 H ASP 132 H ASP 132 5.582 3.783 6.604 993 HA ASP 132 HA ASP 132 3.910 4.465 4.471 994 1HB ASP 132 1HB ASP 132 6.559 5.825 5.008 995 2HB ASP 132 2HB ASP 132 5.118 6.515 4.289 996 H VAL 133 H VAL 133 7.263 3.215 4.401 997 HA VAL 133 HA VAL 133 7.594 3.393 1.545 998 HB VAL 133 HB VAL 133 9.123 1.820 3.659 999 1HG1 VAL 133 1HG1 VAL 133 9.837 2.425 0.784 1000 2HG1 VAL 133 2HG1 VAL 133 10.944 1.723 1.972 1001 3HG1 VAL 133 3HG1 VAL 133 9.511 0.823 1.449 1002 1HG2 VAL 133 1HG2 VAL 133 9.744 4.487 2.309 1003 2HG2 VAL 133 2HG2 VAL 133 9.286 4.268 4.006 1004 3HG2 VAL 133 3HG2 VAL 133 10.815 3.616 3.413 1005 H ALA 134 H ALA 134 7.084 0.465 3.719 1006 HA ALA 134 HA ALA 134 6.834 -1.215 1.409 1007 1HB ALA 134 1HB ALA 134 7.440 -2.101 3.632 1008 2HB ALA 134 2HB ALA 134 5.787 -1.753 4.212 1009 3HB ALA 134 3HB ALA 134 6.062 -2.950 2.916 1010 H VAL 135 H VAL 135 4.456 0.871 2.694 1011 HA VAL 135 HA VAL 135 2.292 -0.600 1.282 1012 HB VAL 135 HB VAL 135 2.057 1.800 3.157 1013 1HG1 VAL 135 1HG1 VAL 135 0.148 1.298 1.510 1014 2HG1 VAL 135 2HG1 VAL 135 -0.049 -0.243 2.330 1015 3HG1 VAL 135 3HG1 VAL 135 -0.300 1.271 3.226 1016 1HG2 VAL 135 1HG2 VAL 135 1.623 -1.167 3.699 1017 2HG2 VAL 135 2HG2 VAL 135 2.881 -0.198 4.456 1018 3HG2 VAL 135 3HG2 VAL 135 1.196 0.145 4.837 1019 H GLY 136 H GLY 136 4.250 2.439 1.201 1020 1HA GLY 136 1HA GLY 136 4.574 3.907 -0.443 1021 2HA GLY 136 2HA GLY 136 2.919 3.689 -0.966 1022 H GLU 137 H GLU 137 5.496 1.163 -0.818 1023 HA GLU 137 HA GLU 137 6.485 1.367 -3.406 1024 1HB GLU 137 1HB GLU 137 6.432 -0.972 -1.529 1025 2HB GLU 137 2HB GLU 137 7.303 -0.905 -3.084 1026 1HG GLU 137 1HG GLU 137 7.776 1.426 -1.319 1027 2HG GLU 137 2HG GLU 137 8.319 -0.116 -0.730 1028 H ILE 138 H ILE 138 4.312 -1.012 -1.997 1029 HA ILE 138 HA ILE 138 3.879 -2.444 -4.435 1030 HB ILE 138 HB ILE 138 3.672 -3.542 -2.361 1031 1HG1 ILE 138 1HG1 ILE 138 0.882 -3.571 -3.543 1032 2HG1 ILE 138 2HG1 ILE 138 2.286 -4.288 -4.330 1033 1HG2 ILE 138 1HG2 ILE 138 2.834 -1.702 -0.906 1034 2HG2 ILE 138 2HG2 ILE 138 1.247 -1.821 -1.686 1035 3HG2 ILE 138 3HG2 ILE 138 1.895 -3.166 -0.710 1036 1HD1 ILE 138 1HD1 ILE 138 1.294 -5.166 -1.588 1037 2HD1 ILE 138 2HD1 ILE 138 0.872 -5.943 -3.114 1038 3HD1 ILE 138 3HD1 ILE 138 2.546 -5.956 -2.571 1039 H LEU 139 H LEU 139 2.342 0.409 -3.200 1040 HA LEU 139 HA LEU 139 0.004 0.251 -4.979 1041 1HB LEU 139 1HB LEU 139 1.270 2.459 -3.331 1042 2HB LEU 139 2HB LEU 139 -0.126 2.688 -4.283 1043 HG LEU 139 HG LEU 139 0.119 0.766 -1.916 1044 1HD1 LEU 139 1HD1 LEU 139 -1.334 3.397 -2.354 1045 2HD1 LEU 139 2HD1 LEU 139 -1.572 2.346 -0.944 1046 3HD1 LEU 139 3HD1 LEU 139 0.015 3.095 -1.236 1047 1HD2 LEU 139 1HD2 LEU 139 -2.253 1.243 -3.664 1048 2HD2 LEU 139 2HD2 LEU 139 -1.403 -0.283 -3.415 1049 3HD2 LEU 139 3HD2 LEU 139 -2.329 0.446 -2.102 1050 H ALA 140 H ALA 140 3.109 1.942 -4.871 1051 HA ALA 140 HA ALA 140 2.877 3.134 -7.470 1052 1HB ALA 140 1HB ALA 140 4.588 3.854 -5.924 1053 2HB ALA 140 2HB ALA 140 5.363 2.251 -5.943 1054 3HB ALA 140 3HB ALA 140 5.360 3.246 -7.398 1055 H GLU 141 H GLU 141 2.839 -0.264 -6.818 1056 HA GLU 141 HA GLU 141 3.994 -0.865 -9.471 1057 1HB GLU 141 1HB GLU 141 4.098 -2.165 -6.750 1058 2HB GLU 141 2HB GLU 141 4.497 -3.023 -8.244 1059 1HG GLU 141 1HG GLU 141 6.260 -1.464 -8.781 1060 2HG GLU 141 2HG GLU 141 5.784 -0.371 -7.490 1061 H VAL 142 H VAL 142 1.222 -1.650 -7.311 1062 HA VAL 142 HA VAL 142 0.560 -3.883 -9.007 1063 HB VAL 142 HB VAL 142 -0.179 -2.947 -6.277 1064 1HG1 VAL 142 1HG1 VAL 142 -1.987 -4.765 -7.854 1065 2HG1 VAL 142 2HG1 VAL 142 -1.833 -4.785 -6.072 1066 3HG1 VAL 142 3HG1 VAL 142 -2.372 -3.314 -6.899 1067 1HG2 VAL 142 1HG2 VAL 142 0.710 -5.584 -7.504 1068 2HG2 VAL 142 2HG2 VAL 142 1.723 -4.398 -6.677 1069 3HG2 VAL 142 3HG2 VAL 142 0.485 -5.271 -5.769 No H/Q in entry = 1069 Start of MODEL 13 1 H SER 1 H SER 1 6.601 20.152 19.645 2 HA SER 1 HA SER 1 3.746 19.499 19.301 3 1HB SER 1 1HB SER 1 4.195 20.550 16.944 4 2HB SER 1 2HB SER 1 3.950 21.572 18.358 5 HG SER 1 HG SER 1 6.338 20.983 16.958 6 H GLN 2 H GLN 2 3.470 18.500 16.899 7 HA GLN 2 HA GLN 2 5.038 15.983 16.958 8 1HB GLN 2 1HB GLN 2 2.296 16.836 15.934 9 2HB GLN 2 2HB GLN 2 3.028 15.290 15.511 10 1HG GLN 2 1HG GLN 2 3.022 14.544 17.791 11 2HG GLN 2 2HG GLN 2 2.655 16.158 18.411 12 1HE2 GLN 2 1HE2 GLN 2 0.851 15.220 19.617 13 2HE2 GLN 2 2HE2 GLN 2 -0.587 14.656 18.754 14 H GLU 3 H GLU 3 6.146 15.376 15.074 15 HA GLU 3 HA GLU 3 6.455 17.455 12.954 16 1HB GLU 3 1HB GLU 3 8.319 15.476 14.157 17 2HB GLU 3 2HB GLU 3 8.632 16.061 12.524 18 1HG GLU 3 1HG GLU 3 8.393 17.802 14.983 19 2HG GLU 3 2HG GLU 3 9.888 17.346 14.170 20 H VAL 4 H VAL 4 4.158 16.120 12.615 21 HA VAL 4 HA VAL 4 2.990 14.625 11.492 22 HB VAL 4 HB VAL 4 3.921 16.724 10.239 23 1HG1 VAL 4 1HG1 VAL 4 5.931 15.703 9.210 24 2HG1 VAL 4 2HG1 VAL 4 4.863 14.694 8.201 25 3HG1 VAL 4 3HG1 VAL 4 4.812 16.460 8.073 26 1HG2 VAL 4 1HG2 VAL 4 1.756 15.861 10.096 27 2HG2 VAL 4 2HG2 VAL 4 2.325 16.317 8.473 28 3HG2 VAL 4 3HG2 VAL 4 2.252 14.594 8.936 29 H MET 5 H MET 5 4.909 13.152 12.832 30 HA MET 5 HA MET 5 5.629 10.957 10.984 31 1HB MET 5 1HB MET 5 7.575 10.561 12.325 32 2HB MET 5 2HB MET 5 7.556 12.235 11.777 33 1HG MET 5 1HG MET 5 7.326 13.087 13.852 34 2HG MET 5 2HG MET 5 6.279 11.787 14.406 35 1HE MET 5 1HE MET 5 6.842 9.736 15.636 36 2HE MET 5 2HE MET 5 7.770 9.083 14.278 37 3HE MET 5 3HE MET 5 8.479 9.105 15.906 38 H LYS 6 H LYS 6 3.203 11.473 12.766 39 HA LYS 6 HA LYS 6 3.197 9.236 14.631 40 1HB LYS 6 1HB LYS 6 0.837 10.518 13.218 41 2HB LYS 6 2HB LYS 6 0.826 9.486 14.643 42 1HG LYS 6 1HG LYS 6 2.243 11.266 15.799 43 2HG LYS 6 2HG LYS 6 1.814 12.356 14.471 44 1HD LYS 6 1HD LYS 6 -0.258 10.922 16.198 45 2HD LYS 6 2HD LYS 6 0.451 12.456 16.634 46 1HE LYS 6 1HE LYS 6 -1.645 12.919 15.642 47 2HE LYS 6 2HE LYS 6 -0.407 13.469 14.505 48 1HZ LYS 6 1HZ LYS 6 -1.646 10.805 14.245 49 2HZ LYS 6 2HZ LYS 6 -2.384 12.134 13.638 50 3HZ LYS 6 3HZ LYS 6 -0.929 11.725 13.062 51 H ASN 7 H ASN 7 1.960 7.289 14.176 52 HA ASN 7 HA ASN 7 3.009 5.755 12.161 53 1HB ASN 7 1HB ASN 7 1.713 4.717 13.950 54 2HB ASN 7 2HB ASN 7 0.254 5.495 13.329 55 1HD2 ASN 7 1HD2 ASN 7 -0.858 4.649 11.500 56 2HD2 ASN 7 2HD2 ASN 7 -0.429 3.063 10.883 57 H LEU 8 H LEU 8 2.679 5.350 10.192 58 HA LEU 8 HA LEU 8 2.362 5.667 8.015 59 1HB LEU 8 1HB LEU 8 0.614 4.267 8.649 60 2HB LEU 8 2HB LEU 8 -0.460 5.562 9.054 61 HG LEU 8 HG LEU 8 -0.770 4.271 6.852 62 1HD1 LEU 8 1HD1 LEU 8 -1.786 6.501 7.718 63 2HD1 LEU 8 2HD1 LEU 8 -0.759 7.236 6.465 64 3HD1 LEU 8 3HD1 LEU 8 -2.015 6.042 6.057 65 1HD2 LEU 8 1HD2 LEU 8 1.672 4.633 6.104 66 2HD2 LEU 8 2HD2 LEU 8 0.397 4.851 4.919 67 3HD2 LEU 8 3HD2 LEU 8 1.158 6.276 5.635 68 H SER 9 H SER 9 3.395 7.438 7.422 69 HA SER 9 HA SER 9 2.624 10.098 7.595 70 1HB SER 9 1HB SER 9 4.832 9.187 6.649 71 2HB SER 9 2HB SER 9 3.984 8.864 5.143 72 HG SER 9 HG SER 9 4.817 10.898 4.920 73 H LEU 10 H LEU 10 2.103 7.986 4.774 74 HA LEU 10 HA LEU 10 1.082 9.833 3.171 75 1HB LEU 10 1HB LEU 10 0.619 6.888 3.195 76 2HB LEU 10 2HB LEU 10 -0.044 7.861 1.897 77 HG LEU 10 HG LEU 10 2.860 7.201 2.485 78 1HD1 LEU 10 1HD1 LEU 10 1.665 5.569 1.172 79 2HD1 LEU 10 2HD1 LEU 10 1.226 6.808 -0.027 80 3HD1 LEU 10 3HD1 LEU 10 2.921 6.351 0.273 81 1HD2 LEU 10 1HD2 LEU 10 1.843 9.287 0.439 82 2HD2 LEU 10 2HD2 LEU 10 2.846 9.637 1.874 83 3HD2 LEU 10 3HD2 LEU 10 3.494 8.671 0.557 84 H ASN 11 H ASN 11 -0.856 10.638 2.389 85 HA ASN 11 HA ASN 11 -2.859 10.944 4.393 86 1HB ASN 11 1HB ASN 11 -2.032 12.708 2.863 87 2HB ASN 11 2HB ASN 11 -2.790 11.877 1.510 88 1HD2 ASN 11 1HD2 ASN 11 -4.438 13.191 0.909 89 2HD2 ASN 11 2HD2 ASN 11 -5.563 13.972 2.011 90 H PHE 12 H PHE 12 -3.042 8.320 4.111 91 HA PHE 12 HA PHE 12 -4.654 7.344 1.997 92 1HB PHE 12 1HB PHE 12 -3.722 6.257 4.653 93 2HB PHE 12 2HB PHE 12 -4.919 5.388 3.728 94 HD1 PHE 12 HD1 PHE 12 -4.422 4.897 1.231 95 HD2 PHE 12 HD2 PHE 12 -1.380 5.935 4.092 96 HE1 PHE 12 HE1 PHE 12 -2.663 3.890 -0.238 97 HE2 PHE 12 HE2 PHE 12 0.334 4.845 2.659 98 HZ PHE 12 HZ PHE 12 -0.301 3.869 0.498 99 H GLY 13 H GLY 13 -5.621 8.726 5.152 100 1HA GLY 13 1HA GLY 13 -7.749 9.271 5.880 101 2HA GLY 13 2HA GLY 13 -8.163 7.622 5.404 102 H LYS 14 H LYS 14 -7.428 10.722 3.789 103 HA LYS 14 HA LYS 14 -9.922 11.100 2.525 104 1HB LYS 14 1HB LYS 14 -7.145 12.142 2.204 105 2HB LYS 14 2HB LYS 14 -8.107 12.272 0.742 106 1HG LYS 14 1HG LYS 14 -9.114 13.276 3.431 107 2HG LYS 14 2HG LYS 14 -8.130 14.280 2.366 108 1HD LYS 14 1HD LYS 14 -10.696 12.955 1.410 109 2HD LYS 14 2HD LYS 14 -10.703 14.531 2.189 110 1HE LYS 14 1HE LYS 14 -8.899 14.018 -0.210 111 2HE LYS 14 2HE LYS 14 -10.619 14.347 -0.433 112 1HZ LYS 14 1HZ LYS 14 -8.856 16.185 1.067 113 2HZ LYS 14 2HZ LYS 14 -9.194 16.324 -0.537 114 3HZ LYS 14 3HZ LYS 14 -10.412 16.419 0.569 115 H ALA 15 H ALA 15 -6.981 9.578 1.087 116 HA ALA 15 HA ALA 15 -8.157 9.079 -1.451 117 1HB ALA 15 1HB ALA 15 -6.012 7.443 -0.053 118 2HB ALA 15 2HB ALA 15 -6.279 7.629 -1.809 119 3HB ALA 15 3HB ALA 15 -5.720 9.002 -0.849 120 H LEU 16 H LEU 16 -8.163 7.031 1.525 121 HA LEU 16 HA LEU 16 -9.491 4.745 0.426 122 1HB LEU 16 1HB LEU 16 -9.271 5.920 3.225 123 2HB LEU 16 2HB LEU 16 -10.255 4.521 2.906 124 HG LEU 16 HG LEU 16 -7.264 4.606 2.371 125 1HD1 LEU 16 1HD1 LEU 16 -7.906 4.802 4.789 126 2HD1 LEU 16 2HD1 LEU 16 -8.846 3.296 4.633 127 3HD1 LEU 16 3HD1 LEU 16 -7.097 3.261 4.398 128 1HD2 LEU 16 1HD2 LEU 16 -8.496 2.875 1.027 129 2HD2 LEU 16 2HD2 LEU 16 -7.424 2.194 2.276 130 3HD2 LEU 16 3HD2 LEU 16 -9.170 2.236 2.548 131 H ASP 17 H ASP 17 -10.636 7.757 2.024 132 HA ASP 17 HA ASP 17 -13.383 7.031 2.081 133 1HB ASP 17 1HB ASP 17 -12.030 8.941 3.321 134 2HB ASP 17 2HB ASP 17 -12.448 9.908 1.909 135 H GLU 18 H GLU 18 -11.372 8.480 -0.478 136 HA GLU 18 HA GLU 18 -13.733 8.897 -2.175 137 1HB GLU 18 1HB GLU 18 -10.832 8.824 -3.125 138 2HB GLU 18 2HB GLU 18 -12.246 9.482 -3.949 139 1HG GLU 18 1HG GLU 18 -12.421 10.927 -1.668 140 2HG GLU 18 2HG GLU 18 -10.690 10.629 -1.703 141 H CYS 19 H CYS 19 -11.084 6.405 -2.034 142 HA CYS 19 HA CYS 19 -11.921 4.747 -4.087 143 1HB CYS 19 1HB CYS 19 -10.497 4.339 -1.453 144 2HB CYS 19 2HB CYS 19 -10.872 2.973 -2.470 145 H LYS 20 H LYS 20 -13.095 4.770 -0.697 146 HA LYS 20 HA LYS 20 -14.703 2.428 -1.029 147 1HB LYS 20 1HB LYS 20 -15.842 2.972 1.016 148 2HB LYS 20 2HB LYS 20 -14.115 3.244 1.184 149 1HG LYS 20 1HG LYS 20 -14.834 5.094 2.258 150 2HG LYS 20 2HG LYS 20 -14.669 5.715 0.632 151 1HD LYS 20 1HD LYS 20 -16.682 6.611 1.474 152 2HD LYS 20 2HD LYS 20 -17.217 5.372 0.354 153 1HE LYS 20 1HE LYS 20 -17.206 3.813 2.508 154 2HE LYS 20 2HE LYS 20 -17.205 5.350 3.383 155 1HZ LYS 20 1HZ LYS 20 -19.242 5.902 2.031 156 2HZ LYS 20 2HZ LYS 20 -19.285 4.299 1.569 157 3HZ LYS 20 3HZ LYS 20 -19.406 4.719 3.132 158 H LYS 21 H LYS 21 -15.360 5.879 -1.818 159 HA LYS 21 HA LYS 21 -18.159 5.349 -2.344 160 1HB LYS 21 1HB LYS 21 -16.399 7.657 -3.258 161 2HB LYS 21 2HB LYS 21 -18.161 7.617 -3.292 162 1HG LYS 21 1HG LYS 21 -18.266 7.555 -0.825 163 2HG LYS 21 2HG LYS 21 -16.555 7.332 -0.737 164 1HD LYS 21 1HD LYS 21 -16.047 9.487 -1.706 165 2HD LYS 21 2HD LYS 21 -17.753 9.871 -1.883 166 1HE LYS 21 1HE LYS 21 -16.457 9.135 0.785 167 2HE LYS 21 2HE LYS 21 -16.477 10.787 0.186 168 1HZ LYS 21 1HZ LYS 21 -18.888 10.733 0.182 169 2HZ LYS 21 2HZ LYS 21 -18.890 9.178 0.757 170 3HZ LYS 21 3HZ LYS 21 -18.297 10.403 1.663 171 H GLU 22 H GLU 22 -15.134 5.196 -4.183 172 HA GLU 22 HA GLU 22 -16.254 5.193 -6.778 173 1HB GLU 22 1HB GLU 22 -13.720 3.761 -5.830 174 2HB GLU 22 2HB GLU 22 -14.207 4.027 -7.498 175 1HG GLU 22 1HG GLU 22 -14.354 6.558 -6.772 176 2HG GLU 22 2HG GLU 22 -13.287 6.046 -5.466 177 H MET 23 H MET 23 -15.264 2.275 -4.832 178 HA MET 23 HA MET 23 -16.914 0.673 -6.658 179 1HB MET 23 1HB MET 23 -15.611 -0.611 -4.336 180 2HB MET 23 2HB MET 23 -15.808 -1.127 -5.958 181 1HG MET 23 1HG MET 23 -14.032 0.768 -6.487 182 2HG MET 23 2HG MET 23 -13.630 0.532 -4.794 183 1HE MET 23 1HE MET 23 -11.405 0.215 -6.649 184 2HE MET 23 2HE MET 23 -11.295 -0.370 -4.980 185 3HE MET 23 3HE MET 23 -10.700 -1.368 -6.305 186 H THR 24 H THR 24 -17.831 2.500 -4.140 187 HA THR 24 HA THR 24 -19.005 2.424 -2.293 188 HB THR 24 HB THR 24 -20.738 2.486 -3.934 189 HG1 THR 24 HG1 THR 24 -22.331 2.028 -2.485 190 1HG2 THR 24 1HG2 THR 24 -20.754 -0.516 -3.552 191 2HG2 THR 24 2HG2 THR 24 -22.154 0.398 -4.210 192 3HG2 THR 24 3HG2 THR 24 -20.589 0.404 -5.050 193 H LEU 25 H LEU 25 -16.938 0.871 -2.222 194 HA LEU 25 HA LEU 25 -17.093 -1.685 -0.941 195 1HB LEU 25 1HB LEU 25 -15.154 0.448 0.008 196 2HB LEU 25 2HB LEU 25 -14.966 -1.266 0.137 197 HG LEU 25 HG LEU 25 -14.873 0.168 -2.545 198 1HD1 LEU 25 1HD1 LEU 25 -12.600 -0.794 -0.755 199 2HD1 LEU 25 2HD1 LEU 25 -12.436 -0.159 -2.410 200 3HD1 LEU 25 3HD1 LEU 25 -13.007 0.892 -1.115 201 1HD2 LEU 25 1HD2 LEU 25 -15.480 -2.287 -2.587 202 2HD2 LEU 25 2HD2 LEU 25 -13.918 -1.953 -3.339 203 3HD2 LEU 25 3HD2 LEU 25 -13.983 -2.637 -1.706 204 H THR 26 H THR 26 -16.391 -1.901 1.483 205 HA THR 26 HA THR 26 -18.481 -1.036 3.230 206 HB THR 26 HB THR 26 -16.595 -2.094 4.861 207 HG1 THR 26 HG1 THR 26 -15.319 -3.576 3.754 208 1HG2 THR 26 1HG2 THR 26 -18.270 -3.626 2.815 209 2HG2 THR 26 2HG2 THR 26 -17.506 -4.338 4.261 210 3HG2 THR 26 3HG2 THR 26 -18.777 -3.108 4.441 211 H ASP 27 H ASP 27 -17.970 0.115 5.300 212 HA ASP 27 HA ASP 27 -16.323 2.560 4.846 213 1HB ASP 27 1HB ASP 27 -18.623 2.851 5.654 214 2HB ASP 27 2HB ASP 27 -18.303 1.778 7.026 215 H ALA 28 H ALA 28 -16.666 -0.386 6.736 216 HA ALA 28 HA ALA 28 -14.934 -0.015 8.840 217 1HB ALA 28 1HB ALA 28 -16.325 -2.030 8.518 218 2HB ALA 28 2HB ALA 28 -14.635 -2.468 8.824 219 3HB ALA 28 3HB ALA 28 -15.281 -2.547 7.171 220 H ILE 29 H ILE 29 -14.049 -0.396 5.478 221 HA ILE 29 HA ILE 29 -11.317 -0.994 5.506 222 HB ILE 29 HB ILE 29 -11.158 0.037 3.415 223 1HG1 ILE 29 1HG1 ILE 29 -13.188 1.230 2.413 224 2HG1 ILE 29 2HG1 ILE 29 -13.791 1.427 4.067 225 1HG2 ILE 29 1HG2 ILE 29 -12.436 -2.107 3.578 226 2HG2 ILE 29 2HG2 ILE 29 -13.940 -1.156 3.597 227 3HG2 ILE 29 3HG2 ILE 29 -12.885 -1.110 2.185 228 1HD1 ILE 29 1HD1 ILE 29 -11.006 2.251 3.805 229 2HD1 ILE 29 2HD1 ILE 29 -12.098 3.162 2.716 230 3HD1 ILE 29 3HD1 ILE 29 -12.394 3.143 4.456 231 H ASN 30 H ASN 30 -12.833 1.926 6.716 232 HA ASN 30 HA ASN 30 -10.594 3.644 6.574 233 1HB ASN 30 1HB ASN 30 -12.990 4.254 7.154 234 2HB ASN 30 2HB ASN 30 -12.736 3.579 8.760 235 1HD2 ASN 30 1HD2 ASN 30 -12.866 6.510 7.201 236 2HD2 ASN 30 2HD2 ASN 30 -11.745 7.383 8.204 237 H GLU 31 H GLU 31 -11.605 1.317 9.196 238 HA GLU 31 HA GLU 31 -9.047 1.555 10.473 239 1HB GLU 31 1HB GLU 31 -9.748 -0.106 11.919 240 2HB GLU 31 2HB GLU 31 -10.751 1.387 11.887 241 1HG GLU 31 1HG GLU 31 -12.383 0.319 10.652 242 2HG GLU 31 2HG GLU 31 -11.436 -1.198 10.601 243 H ASP 32 H ASP 32 -10.847 -0.886 8.969 244 HA ASP 32 HA ASP 32 -9.386 -3.088 9.209 245 1HB ASP 32 1HB ASP 32 -11.642 -2.661 7.879 246 2HB ASP 32 2HB ASP 32 -10.610 -2.839 6.475 247 H PHE 33 H PHE 33 -8.782 -0.747 6.631 248 HA PHE 33 HA PHE 33 -6.682 -2.087 5.219 249 1HB PHE 33 1HB PHE 33 -8.037 -0.159 4.418 250 2HB PHE 33 2HB PHE 33 -7.315 0.870 5.634 251 HD1 PHE 33 HD1 PHE 33 -5.177 1.933 5.276 252 HD2 PHE 33 HD2 PHE 33 -6.693 -0.949 2.466 253 HE1 PHE 33 HE1 PHE 33 -3.518 2.686 3.606 254 HE2 PHE 33 HE2 PHE 33 -4.970 -0.233 0.817 255 HZ PHE 33 HZ PHE 33 -3.339 1.544 1.411 256 H TYR 34 H TYR 34 -6.710 0.138 7.978 257 HA TYR 34 HA TYR 34 -3.805 0.292 8.250 258 1HB TYR 34 1HB TYR 34 -6.105 1.258 9.996 259 2HB TYR 34 2HB TYR 34 -4.427 1.373 10.457 260 HD1 TYR 34 HD1 TYR 34 -3.540 3.489 10.281 261 HD2 TYR 34 HD2 TYR 34 -6.465 2.248 7.374 262 HE1 TYR 34 HE1 TYR 34 -3.392 5.701 9.188 263 HE2 TYR 34 HE2 TYR 34 -6.275 4.414 6.226 264 HH TYR 34 HH TYR 34 -4.913 7.115 7.799 265 H ASN 35 H ASN 35 -6.511 -1.430 9.715 266 HA ASN 35 HA ASN 35 -5.157 -2.672 11.896 267 1HB ASN 35 1HB ASN 35 -7.574 -3.674 10.321 268 2HB ASN 35 2HB ASN 35 -6.954 -4.398 11.787 269 1HD2 ASN 35 1HD2 ASN 35 -9.627 -3.426 11.501 270 2HD2 ASN 35 2HD2 ASN 35 -9.849 -2.224 12.735 271 H PHE 36 H PHE 36 -5.662 -3.753 8.478 272 HA PHE 36 HA PHE 36 -4.795 -6.304 8.605 273 1HB PHE 36 1HB PHE 36 -5.735 -5.367 6.627 274 2HB PHE 36 2HB PHE 36 -4.494 -4.146 6.511 275 HD1 PHE 36 HD1 PHE 36 -3.418 -4.296 4.514 276 HD2 PHE 36 HD2 PHE 36 -4.256 -7.966 6.611 277 HE1 PHE 36 HE1 PHE 36 -2.403 -5.614 2.661 278 HE2 PHE 36 HE2 PHE 36 -3.422 -9.258 4.702 279 HZ PHE 36 HZ PHE 36 -2.456 -8.090 2.724 280 H TRP 37 H TRP 37 -2.656 -3.466 8.787 281 HA TRP 37 HA TRP 37 -0.165 -4.804 8.186 282 1HB TRP 37 1HB TRP 37 -0.641 -2.296 9.827 283 2HB TRP 37 2HB TRP 37 0.824 -2.722 8.956 284 HD1 TRP 37 HD1 TRP 37 -0.851 -3.492 6.204 285 HE1 TRP 37 HE1 TRP 37 -1.971 -1.646 4.839 286 HE3 TRP 37 HE3 TRP 37 -0.759 0.273 9.670 287 HZ2 TRP 37 HZ2 TRP 37 -2.619 1.080 5.152 288 HZ3 TRP 37 HZ3 TRP 37 -1.645 2.513 9.102 289 HH2 TRP 37 HH2 TRP 37 -2.635 2.941 6.857 290 H LYS 38 H LYS 38 -2.173 -4.841 11.004 291 HA LYS 38 HA LYS 38 -0.055 -5.236 12.975 292 1HB LYS 38 1HB LYS 38 -3.059 -5.744 13.065 293 2HB LYS 38 2HB LYS 38 -1.985 -5.725 14.456 294 1HG LYS 38 1HG LYS 38 -1.585 -3.347 14.233 295 2HG LYS 38 2HG LYS 38 -2.362 -3.281 12.655 296 1HD LYS 38 1HD LYS 38 -4.527 -3.991 13.698 297 2HD LYS 38 2HD LYS 38 -3.764 -3.856 15.280 298 1HE LYS 38 1HE LYS 38 -3.151 -1.504 14.854 299 2HE LYS 38 2HE LYS 38 -3.923 -1.564 13.262 300 1HZ LYS 38 1HZ LYS 38 -5.323 -1.982 15.833 301 2HZ LYS 38 2HZ LYS 38 -5.268 -0.558 15.024 302 3HZ LYS 38 3HZ LYS 38 -6.048 -1.831 14.339 303 H GLU 39 H GLU 39 0.575 -7.279 13.787 304 HA GLU 39 HA GLU 39 -0.261 -9.670 12.284 305 1HB GLU 39 1HB GLU 39 1.843 -9.101 14.408 306 2HB GLU 39 2HB GLU 39 1.481 -10.729 13.766 307 1HG GLU 39 1HG GLU 39 1.859 -9.956 11.484 308 2HG GLU 39 2HG GLU 39 2.196 -8.325 12.022 309 H GLY 40 H GLY 40 -0.571 -11.617 13.780 310 1HA GLY 40 1HA GLY 40 -2.153 -11.363 16.140 311 2HA GLY 40 2HA GLY 40 -2.115 -12.750 15.050 312 H TYR 41 H TYR 41 -2.931 -10.849 12.781 313 HA TYR 41 HA TYR 41 -5.876 -10.869 13.142 314 1HB TYR 41 1HB TYR 41 -3.900 -8.793 12.435 315 2HB TYR 41 2HB TYR 41 -5.282 -8.895 11.405 316 HD1 TYR 41 HD1 TYR 41 -7.608 -8.806 12.415 317 HD2 TYR 41 HD2 TYR 41 -4.029 -7.461 14.331 318 HE1 TYR 41 HE1 TYR 41 -8.871 -6.917 13.352 319 HE2 TYR 41 HE2 TYR 41 -5.323 -5.641 15.486 320 HH TYR 41 HH TYR 41 -8.822 -5.204 15.043 321 H GLU 42 H GLU 42 -6.580 -12.454 11.705 322 HA GLU 42 HA GLU 42 -5.216 -12.831 9.143 323 1HB GLU 42 1HB GLU 42 -6.096 -14.678 10.593 324 2HB GLU 42 2HB GLU 42 -7.743 -14.185 10.182 325 1HG GLU 42 1HG GLU 42 -7.277 -14.606 7.820 326 2HG GLU 42 2HG GLU 42 -5.563 -14.875 8.187 327 H ILE 43 H ILE 43 -5.677 -10.336 8.840 328 HA ILE 43 HA ILE 43 -8.384 -9.822 7.805 329 HB ILE 43 HB ILE 43 -6.077 -7.999 7.499 330 1HG1 ILE 43 1HG1 ILE 43 -6.497 -8.169 9.751 331 2HG1 ILE 43 2HG1 ILE 43 -7.356 -6.738 9.215 332 1HG2 ILE 43 1HG2 ILE 43 -9.072 -7.648 7.030 333 2HG2 ILE 43 2HG2 ILE 43 -7.861 -6.365 6.972 334 3HG2 ILE 43 3HG2 ILE 43 -7.808 -7.666 5.780 335 1HD1 ILE 43 1HD1 ILE 43 -9.474 -8.104 9.261 336 2HD1 ILE 43 2HD1 ILE 43 -8.503 -9.298 10.206 337 3HD1 ILE 43 3HD1 ILE 43 -8.707 -7.629 10.782 338 H LYS 44 H LYS 44 -8.803 -11.151 6.174 339 HA LYS 44 HA LYS 44 -7.001 -11.247 3.811 340 1HB LYS 44 1HB LYS 44 -7.681 -13.536 3.542 341 2HB LYS 44 2HB LYS 44 -6.838 -13.246 5.057 342 1HG LYS 44 1HG LYS 44 -8.782 -13.378 6.363 343 2HG LYS 44 2HG LYS 44 -9.845 -13.238 4.960 344 1HD LYS 44 1HD LYS 44 -7.938 -15.569 5.266 345 2HD LYS 44 2HD LYS 44 -9.556 -15.581 6.012 346 1HE LYS 44 1HE LYS 44 -10.675 -15.327 3.944 347 2HE LYS 44 2HE LYS 44 -9.201 -14.816 3.100 348 1HZ LYS 44 1HZ LYS 44 -9.411 -17.499 4.251 349 2HZ LYS 44 2HZ LYS 44 -9.947 -17.159 2.700 350 3HZ LYS 44 3HZ LYS 44 -8.380 -16.938 3.107 351 H ASN 45 H ASN 45 -9.419 -9.496 4.462 352 HA ASN 45 HA ASN 45 -11.602 -10.783 2.970 353 1HB ASN 45 1HB ASN 45 -12.144 -9.373 4.994 354 2HB ASN 45 2HB ASN 45 -11.634 -7.948 4.072 355 1HD2 ASN 45 1HD2 ASN 45 -13.740 -6.927 3.716 356 2HD2 ASN 45 2HD2 ASN 45 -14.734 -7.717 2.491 357 H ARG 46 H ARG 46 -12.724 -9.634 1.255 358 HA ARG 46 HA ARG 46 -11.047 -9.247 -1.021 359 1HB ARG 46 1HB ARG 46 -13.867 -8.180 -0.826 360 2HB ARG 46 2HB ARG 46 -12.995 -8.725 -2.240 361 1HG ARG 46 1HG ARG 46 -13.185 -11.045 -1.503 362 2HG ARG 46 2HG ARG 46 -13.856 -10.556 0.056 363 1HD ARG 46 1HD ARG 46 -15.808 -9.693 -0.831 364 2HD ARG 46 2HD ARG 46 -15.172 -9.617 -2.490 365 HE ARG 46 HE ARG 46 -15.501 -11.786 -2.888 366 1HH1 ARG 46 1HH1 ARG 46 -16.437 -13.849 -2.506 367 2HH1 ARG 46 2HH1 ARG 46 -16.864 -14.358 -0.891 368 1HH2 ARG 46 1HH2 ARG 46 -16.537 -11.073 0.434 369 2HH2 ARG 46 2HH2 ARG 46 -17.266 -12.598 0.701 370 H GLU 47 H GLU 47 -13.195 -6.867 0.670 371 HA GLU 47 HA GLU 47 -12.371 -4.707 -0.759 372 1HB GLU 47 1HB GLU 47 -13.594 -4.789 1.998 373 2HB GLU 47 2HB GLU 47 -13.365 -3.328 1.046 374 1HG GLU 47 1HG GLU 47 -15.479 -3.757 0.390 375 2HG GLU 47 2HG GLU 47 -14.640 -4.673 -0.843 376 H THR 48 H THR 48 -10.500 -6.131 1.760 377 HA THR 48 HA THR 48 -8.760 -3.956 2.467 378 HB THR 48 HB THR 48 -8.240 -6.953 2.235 379 HG1 THR 48 HG1 THR 48 -10.089 -5.862 3.696 380 1HG2 THR 48 1HG2 THR 48 -6.206 -5.612 2.736 381 2HG2 THR 48 2HG2 THR 48 -7.021 -4.969 4.187 382 3HG2 THR 48 3HG2 THR 48 -6.655 -6.699 4.049 383 H GLY 49 H GLY 49 -8.665 -6.519 -0.044 384 1HA GLY 49 1HA GLY 49 -7.455 -6.774 -1.961 385 2HA GLY 49 2HA GLY 49 -6.254 -5.615 -1.374 386 H CYS 50 H CYS 50 -9.834 -5.349 -2.141 387 HA CYS 50 HA CYS 50 -9.675 -3.765 -4.346 388 1HB CYS 50 1HB CYS 50 -11.596 -3.283 -2.059 389 2HB CYS 50 2HB CYS 50 -11.801 -2.789 -3.707 390 H ALA 51 H ALA 51 -9.463 -2.553 -0.909 391 HA ALA 51 HA ALA 51 -9.252 0.186 -1.689 392 1HB ALA 51 1HB ALA 51 -8.303 0.475 0.641 393 2HB ALA 51 2HB ALA 51 -8.292 -1.291 0.818 394 3HB ALA 51 3HB ALA 51 -9.830 -0.425 0.621 395 H ILE 52 H ILE 52 -6.653 -2.245 -0.989 396 HA ILE 52 HA ILE 52 -4.449 -0.580 -1.526 397 HB ILE 52 HB ILE 52 -4.911 -3.539 -1.948 398 1HG1 ILE 52 1HG1 ILE 52 -3.394 -2.103 0.266 399 2HG1 ILE 52 2HG1 ILE 52 -5.091 -2.506 0.407 400 1HG2 ILE 52 1HG2 ILE 52 -2.930 -2.696 -3.320 401 2HG2 ILE 52 2HG2 ILE 52 -2.192 -2.167 -1.798 402 3HG2 ILE 52 3HG2 ILE 52 -2.514 -3.876 -2.089 403 1HD1 ILE 52 1HD1 ILE 52 -4.613 -4.897 0.098 404 2HD1 ILE 52 2HD1 ILE 52 -2.879 -4.517 0.011 405 3HD1 ILE 52 3HD1 ILE 52 -3.769 -4.198 1.498 406 H MET 53 H MET 53 -6.204 -2.723 -3.839 407 HA MET 53 HA MET 53 -4.760 -1.987 -6.119 408 1HB MET 53 1HB MET 53 -6.130 -4.006 -5.762 409 2HB MET 53 2HB MET 53 -7.567 -3.057 -5.704 410 1HG MET 53 1HG MET 53 -5.845 -2.807 -8.156 411 2HG MET 53 2HG MET 53 -6.583 -4.370 -7.849 412 1HE MET 53 1HE MET 53 -9.136 -4.650 -7.343 413 2HE MET 53 2HE MET 53 -9.577 -3.167 -6.455 414 3HE MET 53 3HE MET 53 -10.431 -3.592 -7.950 415 H CYS 54 H CYS 54 -7.758 -0.470 -4.797 416 HA CYS 54 HA CYS 54 -8.090 1.437 -6.950 417 1HB CYS 54 1HB CYS 54 -9.803 1.028 -5.283 418 2HB CYS 54 2HB CYS 54 -8.752 1.549 -3.971 419 H LEU 55 H LEU 55 -6.336 1.446 -3.834 420 HA LEU 55 HA LEU 55 -5.433 4.097 -4.127 421 1HB LEU 55 1HB LEU 55 -4.569 1.795 -2.360 422 2HB LEU 55 2HB LEU 55 -3.778 3.359 -2.269 423 HG LEU 55 HG LEU 55 -6.816 3.065 -2.015 424 1HD1 LEU 55 1HD1 LEU 55 -4.649 2.906 0.067 425 2HD1 LEU 55 2HD1 LEU 55 -6.284 3.452 0.469 426 3HD1 LEU 55 3HD1 LEU 55 -6.022 1.833 -0.195 427 1HD2 LEU 55 1HD2 LEU 55 -4.875 5.319 -1.443 428 2HD2 LEU 55 2HD2 LEU 55 -6.199 5.274 -2.626 429 3HD2 LEU 55 3HD2 LEU 55 -6.586 5.277 -0.909 430 H SER 56 H SER 56 -4.100 1.255 -5.671 431 HA SER 56 HA SER 56 -1.493 2.372 -5.957 432 1HB SER 56 1HB SER 56 -1.071 0.565 -7.441 433 2HB SER 56 2HB SER 56 -2.044 -0.037 -6.135 434 HG SER 56 HG SER 56 -2.406 -0.643 -8.364 435 H THR 57 H THR 57 -4.484 3.382 -7.284 436 HA THR 57 HA THR 57 -3.028 4.954 -9.349 437 HB THR 57 HB THR 57 -4.431 3.172 -10.299 438 HG1 THR 57 HG1 THR 57 -5.810 5.028 -11.439 439 1HG2 THR 57 1HG2 THR 57 -6.774 4.693 -9.103 440 2HG2 THR 57 2HG2 THR 57 -6.897 3.470 -10.391 441 3HG2 THR 57 3HG2 THR 57 -6.286 3.000 -8.822 442 H LYS 58 H LYS 58 -3.764 5.310 -6.450 443 HA LYS 58 HA LYS 58 -4.947 8.061 -6.675 444 1HB LYS 58 1HB LYS 58 -5.217 6.075 -4.429 445 2HB LYS 58 2HB LYS 58 -5.725 7.735 -4.302 446 1HG LYS 58 1HG LYS 58 -6.926 6.421 -6.666 447 2HG LYS 58 2HG LYS 58 -7.345 5.630 -5.141 448 1HD LYS 58 1HD LYS 58 -8.061 7.760 -4.186 449 2HD LYS 58 2HD LYS 58 -7.744 8.556 -5.736 450 1HE LYS 58 1HE LYS 58 -9.514 6.089 -5.471 451 2HE LYS 58 2HE LYS 58 -10.147 7.684 -5.162 452 1HZ LYS 58 1HZ LYS 58 -8.832 7.244 -7.761 453 2HZ LYS 58 2HZ LYS 58 -10.328 6.616 -7.486 454 3HZ LYS 58 3HZ LYS 58 -10.093 8.217 -7.359 455 H LEU 59 H LEU 59 -2.020 6.933 -6.680 456 HA LEU 59 HA LEU 59 -0.705 7.664 -4.268 457 1HB LEU 59 1HB LEU 59 0.414 8.192 -7.023 458 2HB LEU 59 2HB LEU 59 1.302 7.875 -5.546 459 HG LEU 59 HG LEU 59 -0.438 5.876 -7.053 460 1HD1 LEU 59 1HD1 LEU 59 1.620 6.591 -8.253 461 2HD1 LEU 59 2HD1 LEU 59 2.589 5.986 -6.882 462 3HD1 LEU 59 3HD1 LEU 59 1.570 4.880 -7.839 463 1HD2 LEU 59 1HD2 LEU 59 1.455 5.435 -4.704 464 2HD2 LEU 59 2HD2 LEU 59 -0.336 5.299 -4.661 465 3HD2 LEU 59 3HD2 LEU 59 0.624 4.173 -5.631 466 H ASN 60 H ASN 60 -1.934 9.608 -6.884 467 HA ASN 60 HA ASN 60 -0.777 12.129 -6.331 468 1HB ASN 60 1HB ASN 60 -2.629 12.966 -7.738 469 2HB ASN 60 2HB ASN 60 -1.820 11.590 -8.475 470 1HD2 ASN 60 1HD2 ASN 60 -3.050 9.461 -8.604 471 2HD2 ASN 60 2HD2 ASN 60 -4.777 9.547 -8.440 472 H MET 61 H MET 61 -3.232 10.424 -4.576 473 HA MET 61 HA MET 61 -4.354 12.848 -3.306 474 1HB MET 61 1HB MET 61 -4.892 9.863 -2.948 475 2HB MET 61 2HB MET 61 -5.734 11.136 -2.091 476 1HG MET 61 1HG MET 61 -5.678 10.894 -5.121 477 2HG MET 61 2HG MET 61 -6.930 10.193 -4.116 478 1HE MET 61 1HE MET 61 -8.569 11.373 -2.664 479 2HE MET 61 2HE MET 61 -7.475 12.485 -1.796 480 3HE MET 61 3HE MET 61 -8.902 13.111 -2.640 481 H LEU 62 H LEU 62 -1.881 10.291 -2.766 482 HA LEU 62 HA LEU 62 -2.021 10.429 0.086 483 1HB LEU 62 1HB LEU 62 -0.304 8.910 -1.899 484 2HB LEU 62 2HB LEU 62 -0.358 8.595 -0.208 485 HG LEU 62 HG LEU 62 -2.732 8.371 -2.060 486 1HD1 LEU 62 1HD1 LEU 62 -0.892 6.796 -2.516 487 2HD1 LEU 62 2HD1 LEU 62 -1.046 6.155 -0.875 488 3HD1 LEU 62 3HD1 LEU 62 -2.413 6.002 -2.034 489 1HD2 LEU 62 1HD2 LEU 62 -2.354 7.546 0.852 490 2HD2 LEU 62 2HD2 LEU 62 -3.490 8.768 0.213 491 3HD2 LEU 62 3HD2 LEU 62 -3.724 7.057 -0.180 492 H ASP 63 H ASP 63 0.411 10.885 -2.496 493 HA ASP 63 HA ASP 63 2.622 11.449 -1.149 494 1HB ASP 63 1HB ASP 63 3.382 11.664 -3.219 495 2HB ASP 63 2HB ASP 63 2.059 10.582 -3.356 496 HA PRO 64 HA PRO 64 1.526 15.626 0.172 497 1HB PRO 64 1HB PRO 64 3.293 15.890 2.274 498 2HB PRO 64 2HB PRO 64 1.745 15.014 2.388 499 1HG PRO 64 1HG PRO 64 4.512 13.870 1.938 500 2HG PRO 64 2HG PRO 64 3.243 13.300 3.057 501 1HD PRO 64 1HD PRO 64 3.657 12.178 0.610 502 2HD PRO 64 2HD PRO 64 2.027 12.305 1.332 503 H GLU 65 H GLU 65 4.943 14.537 0.022 504 HA GLU 65 HA GLU 65 5.930 17.161 -0.764 505 1HB GLU 65 1HB GLU 65 7.253 14.410 -0.741 506 2HB GLU 65 2HB GLU 65 8.049 15.938 -1.041 507 1HG GLU 65 1HG GLU 65 7.404 16.727 1.228 508 2HG GLU 65 2HG GLU 65 6.657 15.152 1.537 509 H GLY 66 H GLY 66 4.232 14.867 -2.464 510 1HA GLY 66 1HA GLY 66 4.922 15.838 -5.061 511 2HA GLY 66 2HA GLY 66 3.967 14.401 -4.724 512 H ASN 67 H ASN 67 5.875 12.919 -3.259 513 HA ASN 67 HA ASN 67 8.162 12.474 -5.157 514 1HB ASN 67 1HB ASN 67 7.952 12.517 -2.135 515 2HB ASN 67 2HB ASN 67 9.069 11.407 -2.852 516 1HD2 ASN 67 1HD2 ASN 67 8.186 14.890 -3.439 517 2HD2 ASN 67 2HD2 ASN 67 9.831 15.415 -3.246 518 H LEU 68 H LEU 68 5.257 11.144 -4.535 519 HA LEU 68 HA LEU 68 6.288 8.347 -4.795 520 1HB LEU 68 1HB LEU 68 5.102 8.711 -2.643 521 2HB LEU 68 2HB LEU 68 3.729 9.335 -3.514 522 HG LEU 68 HG LEU 68 3.384 7.164 -4.661 523 1HD1 LEU 68 1HD1 LEU 68 5.656 6.208 -2.871 524 2HD1 LEU 68 2HD1 LEU 68 4.558 5.161 -3.794 525 3HD1 LEU 68 3HD1 LEU 68 5.631 6.254 -4.649 526 1HD2 LEU 68 1HD2 LEU 68 3.475 7.252 -1.646 527 2HD2 LEU 68 2HD2 LEU 68 2.094 7.603 -2.721 528 3HD2 LEU 68 3HD2 LEU 68 2.715 5.950 -2.564 529 H HIS 69 H HIS 69 6.077 7.783 -6.922 530 HA HIS 69 HA HIS 69 3.652 8.676 -8.391 531 1HB HIS 69 1HB HIS 69 6.525 8.670 -9.326 532 2HB HIS 69 2HB HIS 69 5.163 9.149 -10.269 533 HD1 HIS 69 HD1 HIS 69 3.850 11.135 -7.924 534 HD2 HIS 69 HD2 HIS 69 7.856 10.958 -9.251 535 HE1 HIS 69 HE1 HIS 69 4.845 13.438 -7.560 536 H HIS 70 H HIS 70 3.457 7.502 -10.424 537 HA HIS 70 HA HIS 70 3.258 4.683 -9.860 538 1HB HIS 70 1HB HIS 70 1.760 6.322 -11.303 539 2HB HIS 70 2HB HIS 70 2.865 5.903 -12.603 540 HD1 HIS 70 HD1 HIS 70 0.144 5.146 -13.329 541 HD2 HIS 70 HD2 HIS 70 2.453 2.732 -10.771 542 HE1 HIS 70 HE1 HIS 70 -0.915 2.818 -13.361 543 H GLY 71 H GLY 71 4.854 3.133 -10.206 544 1HA GLY 71 1HA GLY 71 6.749 3.195 -12.331 545 2HA GLY 71 2HA GLY 71 6.789 2.184 -10.880 546 H ASN 72 H ASN 72 6.704 5.074 -9.377 547 HA ASN 72 HA ASN 72 9.608 5.263 -9.210 548 1HB ASN 72 1HB ASN 72 8.420 6.880 -11.081 549 2HB ASN 72 2HB ASN 72 8.458 7.961 -9.710 550 1HD2 ASN 72 1HD2 ASN 72 9.891 8.277 -12.116 551 2HD2 ASN 72 2HD2 ASN 72 11.611 7.967 -11.833 552 H ALA 73 H ALA 73 8.887 4.358 -7.071 553 HA ALA 73 HA ALA 73 7.917 6.487 -5.239 554 1HB ALA 73 1HB ALA 73 6.736 4.313 -5.123 555 2HB ALA 73 2HB ALA 73 7.636 4.660 -3.634 556 3HB ALA 73 3HB ALA 73 8.252 3.497 -4.800 557 H MET 74 H MET 74 10.785 6.024 -6.634 558 HA MET 74 HA MET 74 12.354 4.800 -4.520 559 1HB MET 74 1HB MET 74 12.971 6.033 -7.234 560 2HB MET 74 2HB MET 74 14.235 5.556 -6.095 561 1HG MET 74 1HG MET 74 13.306 3.243 -6.061 562 2HG MET 74 2HG MET 74 12.208 3.711 -7.377 563 1HE MET 74 1HE MET 74 13.275 1.597 -8.671 564 2HE MET 74 2HE MET 74 15.006 1.422 -9.019 565 3HE MET 74 3HE MET 74 14.421 1.308 -7.345 566 H GLU 75 H GLU 75 11.600 8.142 -5.613 567 HA GLU 75 HA GLU 75 13.831 9.218 -4.076 568 1HB GLU 75 1HB GLU 75 11.419 10.497 -5.401 569 2HB GLU 75 2HB GLU 75 12.377 11.353 -4.218 570 1HG GLU 75 1HG GLU 75 14.452 10.744 -5.611 571 2HG GLU 75 2HG GLU 75 13.329 10.312 -6.894 572 H PHE 76 H PHE 76 10.298 8.885 -3.496 573 HA PHE 76 HA PHE 76 10.190 9.753 -0.832 574 1HB PHE 76 1HB PHE 76 8.197 9.456 -1.991 575 2HB PHE 76 2HB PHE 76 8.643 7.897 -2.624 576 HD1 PHE 76 HD1 PHE 76 7.300 9.659 0.329 577 HD2 PHE 76 HD2 PHE 76 8.107 5.898 -1.533 578 HE1 PHE 76 HE1 PHE 76 5.786 8.470 2.024 579 HE2 PHE 76 HE2 PHE 76 6.596 4.748 0.069 580 HZ PHE 76 HZ PHE 76 5.461 6.055 1.872 581 H ALA 77 H ALA 77 10.793 6.420 -2.061 582 HA ALA 77 HA ALA 77 11.342 5.125 0.293 583 1HB ALA 77 1HB ALA 77 11.290 4.154 -2.092 584 2HB ALA 77 2HB ALA 77 12.562 3.508 -1.062 585 3HB ALA 77 3HB ALA 77 12.943 4.718 -2.282 586 H LYS 78 H LYS 78 13.784 6.833 -1.744 587 HA LYS 78 HA LYS 78 15.994 6.300 -0.062 588 1HB LYS 78 1HB LYS 78 15.359 8.246 -2.262 589 2HB LYS 78 2HB LYS 78 16.766 8.605 -1.281 590 1HG LYS 78 1HG LYS 78 17.739 6.410 -1.698 591 2HG LYS 78 2HG LYS 78 16.291 5.884 -2.558 592 1HD LYS 78 1HD LYS 78 18.030 8.194 -3.498 593 2HD LYS 78 2HD LYS 78 18.254 6.503 -4.005 594 1HE LYS 78 1HE LYS 78 15.955 6.425 -4.864 595 2HE LYS 78 2HE LYS 78 15.682 8.096 -4.368 596 1HZ LYS 78 1HZ LYS 78 17.699 7.234 -6.362 597 2HZ LYS 78 2HZ LYS 78 16.262 7.868 -6.725 598 3HZ LYS 78 3HZ LYS 78 17.393 8.796 -5.954 599 H LYS 79 H LYS 79 13.751 9.098 -0.019 600 HA LYS 79 HA LYS 79 15.077 10.504 2.050 601 1HB LYS 79 1HB LYS 79 12.155 10.524 1.241 602 2HB LYS 79 2HB LYS 79 12.937 11.696 2.316 603 1HG LYS 79 1HG LYS 79 14.721 11.987 0.465 604 2HG LYS 79 2HG LYS 79 13.624 11.153 -0.581 605 1HD LYS 79 1HD LYS 79 11.893 12.943 -0.068 606 2HD LYS 79 2HD LYS 79 13.252 13.835 0.698 607 1HE LYS 79 1HE LYS 79 14.580 13.390 -1.455 608 2HE LYS 79 2HE LYS 79 13.080 12.753 -2.161 609 1HZ LYS 79 1HZ LYS 79 12.086 14.923 -1.781 610 2HZ LYS 79 2HZ LYS 79 13.519 15.509 -1.245 611 3HZ LYS 79 3HZ LYS 79 13.377 14.994 -2.805 612 H HIS 80 H HIS 80 12.992 7.599 2.277 613 HA HIS 80 HA HIS 80 12.797 8.115 5.185 614 1HB HIS 80 1HB HIS 80 11.238 6.326 3.355 615 2HB HIS 80 2HB HIS 80 10.945 6.534 5.088 616 HD1 HIS 80 HD1 HIS 80 8.491 7.296 3.309 617 HD2 HIS 80 HD2 HIS 80 11.567 9.992 4.364 618 HE1 HIS 80 HE1 HIS 80 7.681 9.597 2.792 619 H GLY 81 H GLY 81 14.891 6.766 3.125 620 1HA GLY 81 1HA GLY 81 16.031 5.138 5.331 621 2HA GLY 81 2HA GLY 81 16.874 6.049 4.059 622 H ALA 82 H ALA 82 14.678 4.721 2.254 623 HA ALA 82 HA ALA 82 15.942 2.029 2.019 624 1HB ALA 82 1HB ALA 82 14.002 1.560 0.475 625 2HB ALA 82 2HB ALA 82 13.577 1.864 2.172 626 3HB ALA 82 3HB ALA 82 13.328 3.130 0.959 627 H ASP 83 H ASP 83 17.784 2.241 0.916 628 HA ASP 83 HA ASP 83 18.264 4.043 -1.266 629 1HB ASP 83 1HB ASP 83 20.313 2.509 -1.583 630 2HB ASP 83 2HB ASP 83 20.170 3.305 -0.054 631 H GLU 84 H GLU 84 19.331 2.813 -3.243 632 HA GLU 84 HA GLU 84 17.151 2.006 -4.870 633 1HB GLU 84 1HB GLU 84 20.112 1.574 -5.403 634 2HB GLU 84 2HB GLU 84 18.836 1.760 -6.629 635 1HG GLU 84 1HG GLU 84 18.493 4.101 -5.745 636 2HG GLU 84 2HG GLU 84 19.852 3.803 -4.658 637 H THR 85 H THR 85 19.666 0.198 -3.222 638 HA THR 85 HA THR 85 18.847 -2.392 -4.359 639 HB THR 85 HB THR 85 20.772 -1.572 -2.185 640 HG1 THR 85 HG1 THR 85 21.636 -3.526 -3.607 641 1HG2 THR 85 1HG2 THR 85 19.875 -4.475 -2.535 642 2HG2 THR 85 2HG2 THR 85 21.244 -3.886 -1.556 643 3HG2 THR 85 3HG2 THR 85 19.601 -3.482 -1.084 644 H MET 86 H MET 86 18.138 -0.663 -1.237 645 HA MET 86 HA MET 86 16.572 -2.711 -0.106 646 1HB MET 86 1HB MET 86 16.833 0.281 0.185 647 2HB MET 86 2HB MET 86 15.504 -0.528 0.964 648 1HG MET 86 1HG MET 86 17.141 -2.064 2.097 649 2HG MET 86 2HG MET 86 18.447 -1.085 1.404 650 1HE MET 86 1HE MET 86 19.561 -0.369 3.583 651 2HE MET 86 2HE MET 86 18.696 0.160 5.043 652 3HE MET 86 3HE MET 86 18.490 -1.507 4.443 653 H ALA 87 H ALA 87 15.646 0.044 -2.236 654 HA ALA 87 HA ALA 87 12.846 -0.577 -2.280 655 1HB ALA 87 1HB ALA 87 14.587 0.842 -4.351 656 2HB ALA 87 2HB ALA 87 13.691 1.593 -2.998 657 3HB ALA 87 3HB ALA 87 12.808 0.823 -4.308 658 H GLN 88 H GLN 88 15.529 -1.440 -4.559 659 HA GLN 88 HA GLN 88 14.013 -3.048 -6.267 660 1HB GLN 88 1HB GLN 88 16.338 -2.302 -6.655 661 2HB GLN 88 2HB GLN 88 16.909 -3.392 -5.432 662 1HG GLN 88 1HG GLN 88 17.327 -4.356 -7.601 663 2HG GLN 88 2HG GLN 88 16.098 -5.339 -6.814 664 1HE2 GLN 88 1HE2 GLN 88 14.374 -5.864 -8.202 665 2HE2 GLN 88 2HE2 GLN 88 13.878 -4.881 -9.566 666 H GLN 89 H GLN 89 15.400 -3.942 -3.110 667 HA GLN 89 HA GLN 89 14.929 -6.739 -3.180 668 1HB GLN 89 1HB GLN 89 15.498 -4.629 -1.157 669 2HB GLN 89 2HB GLN 89 14.542 -5.888 -0.513 670 1HG GLN 89 1HG GLN 89 17.041 -6.531 -2.089 671 2HG GLN 89 2HG GLN 89 17.136 -5.976 -0.425 672 1HE2 GLN 89 1HE2 GLN 89 18.229 -8.158 -0.309 673 2HE2 GLN 89 2HE2 GLN 89 17.226 -9.526 0.146 674 H LEU 90 H LEU 90 12.700 -4.013 -2.525 675 HA LEU 90 HA LEU 90 10.559 -5.841 -1.655 676 1HB LEU 90 1HB LEU 90 10.660 -2.835 -2.156 677 2HB LEU 90 2HB LEU 90 9.270 -3.694 -1.519 678 HG LEU 90 HG LEU 90 12.006 -3.533 -0.174 679 1HD1 LEU 90 1HD1 LEU 90 10.852 -1.359 -0.288 680 2HD1 LEU 90 2HD1 LEU 90 9.439 -2.057 0.515 681 3HD1 LEU 90 3HD1 LEU 90 11.001 -1.949 1.371 682 1HD2 LEU 90 1HD2 LEU 90 10.531 -5.592 0.421 683 2HD2 LEU 90 2HD2 LEU 90 11.146 -4.615 1.733 684 3HD2 LEU 90 3HD2 LEU 90 9.466 -4.427 1.220 685 H ILE 91 H ILE 91 11.353 -3.774 -4.428 686 HA ILE 91 HA ILE 91 9.011 -4.132 -5.944 687 HB ILE 91 HB ILE 91 11.912 -3.477 -6.465 688 1HG1 ILE 91 1HG1 ILE 91 9.500 -1.631 -6.668 689 2HG1 ILE 91 2HG1 ILE 91 10.236 -1.997 -5.134 690 1HG2 ILE 91 1HG2 ILE 91 9.810 -3.598 -8.615 691 2HG2 ILE 91 2HG2 ILE 91 11.235 -2.564 -8.726 692 3HG2 ILE 91 3HG2 ILE 91 11.419 -4.324 -8.579 693 1HD1 ILE 91 1HD1 ILE 91 12.444 -1.211 -6.170 694 2HD1 ILE 91 2HD1 ILE 91 11.419 -0.487 -7.443 695 3HD1 ILE 91 3HD1 ILE 91 11.201 -0.034 -5.725 696 H ASP 92 H ASP 92 11.979 -6.116 -5.782 697 HA ASP 92 HA ASP 92 11.292 -7.971 -7.848 698 1HB ASP 92 1HB ASP 92 13.419 -7.632 -6.024 699 2HB ASP 92 2HB ASP 92 12.678 -9.070 -5.408 700 H ILE 93 H ILE 93 10.583 -7.924 -4.382 701 HA ILE 93 HA ILE 93 9.113 -10.355 -4.329 702 HB ILE 93 HB ILE 93 9.491 -7.984 -2.456 703 1HG1 ILE 93 1HG1 ILE 93 10.456 -10.874 -2.596 704 2HG1 ILE 93 2HG1 ILE 93 11.432 -9.461 -2.962 705 1HG2 ILE 93 1HG2 ILE 93 7.270 -8.940 -1.940 706 2HG2 ILE 93 2HG2 ILE 93 8.040 -10.524 -1.721 707 3HG2 ILE 93 3HG2 ILE 93 8.461 -9.132 -0.665 708 1HD1 ILE 93 1HD1 ILE 93 11.059 -8.651 -0.660 709 2HD1 ILE 93 2HD1 ILE 93 10.398 -10.201 -0.209 710 3HD1 ILE 93 3HD1 ILE 93 12.086 -10.087 -0.762 711 H VAL 94 H VAL 94 7.969 -6.909 -4.670 712 HA VAL 94 HA VAL 94 5.195 -7.573 -4.647 713 HB VAL 94 HB VAL 94 6.704 -5.432 -6.211 714 1HG1 VAL 94 1HG1 VAL 94 3.657 -5.808 -6.035 715 2HG1 VAL 94 2HG1 VAL 94 4.466 -4.303 -6.529 716 3HG1 VAL 94 3HG1 VAL 94 4.637 -5.727 -7.498 717 1HG2 VAL 94 1HG2 VAL 94 6.678 -5.231 -3.750 718 2HG2 VAL 94 2HG2 VAL 94 5.710 -3.977 -4.515 719 3HG2 VAL 94 3HG2 VAL 94 4.901 -5.369 -3.747 720 H HIS 95 H HIS 95 7.550 -7.578 -7.422 721 HA HIS 95 HA HIS 95 5.445 -8.548 -9.185 722 1HB HIS 95 1HB HIS 95 8.457 -8.293 -9.498 723 2HB HIS 95 2HB HIS 95 7.300 -8.654 -10.786 724 HD1 HIS 95 HD1 HIS 95 9.122 -5.962 -10.674 725 HD2 HIS 95 HD2 HIS 95 5.113 -6.339 -9.463 726 HE1 HIS 95 HE1 HIS 95 8.053 -3.636 -10.866 727 H GLY 96 H GLY 96 7.767 -10.013 -7.064 728 1HA GLY 96 1HA GLY 96 8.292 -12.210 -6.625 729 2HA GLY 96 2HA GLY 96 7.581 -12.664 -8.181 730 H CYS 97 H CYS 97 5.668 -10.773 -6.022 731 HA CYS 97 HA CYS 97 4.318 -13.039 -4.717 732 1HB CYS 97 1HB CYS 97 4.285 -10.035 -4.372 733 2HB CYS 97 2HB CYS 97 2.949 -11.000 -3.773 734 H GLU 98 H GLU 98 3.760 -10.668 -7.328 735 HA GLU 98 HA GLU 98 1.083 -11.149 -7.861 736 1HB GLU 98 1HB GLU 98 3.431 -10.903 -9.742 737 2HB GLU 98 2HB GLU 98 1.789 -11.080 -10.312 738 1HG GLU 98 1HG GLU 98 1.222 -9.022 -8.862 739 2HG GLU 98 2HG GLU 98 2.925 -8.855 -8.614 740 H LYS 99 H LYS 99 3.916 -13.178 -8.270 741 HA LYS 99 HA LYS 99 2.841 -15.180 -9.978 742 1HB LYS 99 1HB LYS 99 5.344 -15.581 -8.434 743 2HB LYS 99 2HB LYS 99 4.837 -16.213 -10.004 744 1HG LYS 99 1HG LYS 99 5.476 -13.348 -9.353 745 2HG LYS 99 2HG LYS 99 6.494 -14.491 -10.215 746 1HD LYS 99 1HD LYS 99 3.784 -13.706 -11.256 747 2HD LYS 99 2HD LYS 99 5.244 -12.777 -11.638 748 1HE LYS 99 1HE LYS 99 6.098 -14.368 -12.996 749 2HE LYS 99 2HE LYS 99 5.555 -15.705 -11.976 750 1HZ LYS 99 1HZ LYS 99 3.324 -15.406 -12.885 751 2HZ LYS 99 2HZ LYS 99 3.855 -14.193 -13.854 752 3HZ LYS 99 3HZ LYS 99 4.432 -15.696 -14.079 753 H SER 100 H SER 100 3.918 -15.226 -6.520 754 HA SER 100 HA SER 100 3.132 -17.947 -6.140 755 1HB SER 100 1HB SER 100 3.637 -17.451 -3.763 756 2HB SER 100 2HB SER 100 4.928 -16.943 -4.863 757 HG SER 100 HG SER 100 3.506 -15.496 -3.133 758 H THR 101 H THR 101 1.454 -14.836 -5.774 759 HA THR 101 HA THR 101 -0.935 -15.872 -4.540 760 HB THR 101 HB THR 101 -0.500 -13.526 -6.449 761 HG1 THR 101 HG1 THR 101 0.702 -13.095 -4.772 762 1HG2 THR 101 1HG2 THR 101 -2.908 -14.107 -6.154 763 2HG2 THR 101 2HG2 THR 101 -2.693 -13.993 -4.396 764 3HG2 THR 101 3HG2 THR 101 -2.486 -12.557 -5.418 765 HA PRO 102 HA PRO 102 -2.135 -18.037 -8.374 766 1HB PRO 102 1HB PRO 102 -4.736 -18.563 -7.875 767 2HB PRO 102 2HB PRO 102 -3.415 -19.493 -7.102 768 1HG PRO 102 1HG PRO 102 -5.015 -17.201 -5.916 769 2HG PRO 102 2HG PRO 102 -4.548 -18.747 -5.141 770 1HD PRO 102 1HD PRO 102 -3.159 -16.398 -4.796 771 2HD PRO 102 2HD PRO 102 -2.357 -17.995 -4.751 772 H ALA 103 H ALA 103 -2.775 -17.095 -10.227 773 HA ALA 103 HA ALA 103 -3.353 -14.319 -10.275 774 1HB ALA 103 1HB ALA 103 -3.269 -16.387 -12.511 775 2HB ALA 103 2HB ALA 103 -1.906 -15.434 -11.887 776 3HB ALA 103 3HB ALA 103 -3.222 -14.616 -12.702 777 H ASN 104 H ASN 104 -5.259 -13.950 -9.284 778 HA ASN 104 HA ASN 104 -7.707 -15.381 -9.636 779 1HB ASN 104 1HB ASN 104 -6.774 -13.754 -7.708 780 2HB ASN 104 2HB ASN 104 -7.762 -12.600 -8.602 781 1HD2 ASN 104 1HD2 ASN 104 -7.913 -14.411 -5.913 782 2HD2 ASN 104 2HD2 ASN 104 -9.657 -14.719 -5.969 783 H ASP 105 H ASP 105 -9.691 -14.703 -10.430 784 HA ASP 105 HA ASP 105 -9.971 -13.264 -12.788 785 1HB ASP 105 1HB ASP 105 -11.307 -15.159 -12.044 786 2HB ASP 105 2HB ASP 105 -11.850 -14.274 -10.634 787 H ASP 106 H ASP 106 -10.326 -12.571 -9.270 788 HA ASP 106 HA ASP 106 -11.368 -9.835 -9.883 789 1HB ASP 106 1HB ASP 106 -12.509 -11.170 -8.045 790 2HB ASP 106 2HB ASP 106 -11.010 -11.212 -7.223 791 H LYS 107 H LYS 107 -9.748 -8.316 -10.201 792 HA LYS 107 HA LYS 107 -7.086 -8.653 -9.330 793 1HB LYS 107 1HB LYS 107 -8.515 -6.799 -10.952 794 2HB LYS 107 2HB LYS 107 -7.910 -5.827 -9.621 795 1HG LYS 107 1HG LYS 107 -6.157 -5.811 -11.209 796 2HG LYS 107 2HG LYS 107 -5.638 -6.945 -9.966 797 1HD LYS 107 1HD LYS 107 -5.259 -8.310 -11.758 798 2HD LYS 107 2HD LYS 107 -6.953 -8.713 -11.610 799 1HE LYS 107 1HE LYS 107 -7.592 -7.034 -13.241 800 2HE LYS 107 2HE LYS 107 -5.934 -6.400 -13.301 801 1HZ LYS 107 1HZ LYS 107 -6.653 -9.146 -14.168 802 2HZ LYS 107 2HZ LYS 107 -6.340 -7.811 -15.172 803 3HZ LYS 107 3HZ LYS 107 -5.177 -8.419 -14.239 804 H CYS 108 H CYS 108 -9.900 -7.496 -7.612 805 HA CYS 108 HA CYS 108 -8.439 -6.071 -5.527 806 1HB CYS 108 1HB CYS 108 -10.548 -5.418 -5.510 807 2HB CYS 108 2HB CYS 108 -11.251 -6.913 -6.021 808 H ILE 109 H ILE 109 -10.214 -9.107 -5.256 809 HA ILE 109 HA ILE 109 -8.845 -10.181 -3.033 810 HB ILE 109 HB ILE 109 -10.210 -11.557 -5.423 811 1HG1 ILE 109 1HG1 ILE 109 -11.244 -11.009 -2.619 812 2HG1 ILE 109 2HG1 ILE 109 -11.561 -9.915 -3.911 813 1HG2 ILE 109 1HG2 ILE 109 -8.748 -13.152 -4.236 814 2HG2 ILE 109 2HG2 ILE 109 -9.505 -12.747 -2.696 815 3HG2 ILE 109 3HG2 ILE 109 -10.442 -13.552 -3.997 816 1HD1 ILE 109 1HD1 ILE 109 -12.683 -11.689 -5.239 817 2HD1 ILE 109 2HD1 ILE 109 -12.602 -12.744 -3.813 818 3HD1 ILE 109 3HD1 ILE 109 -13.485 -11.202 -3.741 819 H TRP 110 H TRP 110 -7.773 -10.420 -6.421 820 HA TRP 110 HA TRP 110 -5.443 -12.008 -5.912 821 1HB TRP 110 1HB TRP 110 -6.163 -11.408 -8.181 822 2HB TRP 110 2HB TRP 110 -5.861 -9.731 -7.862 823 HD1 TRP 110 HD1 TRP 110 -3.833 -13.033 -8.000 824 HE1 TRP 110 HE1 TRP 110 -1.526 -12.508 -9.073 825 HE3 TRP 110 HE3 TRP 110 -4.273 -7.965 -8.388 826 HZ2 TRP 110 HZ2 TRP 110 -0.214 -10.191 -10.208 827 HZ3 TRP 110 HZ3 TRP 110 -2.518 -6.620 -9.480 828 HH2 TRP 110 HH2 TRP 110 -0.498 -7.698 -10.371 829 H THR 111 H THR 111 -5.733 -8.398 -5.941 830 HA THR 111 HA THR 111 -3.160 -7.846 -5.075 831 HB THR 111 HB THR 111 -5.767 -6.301 -4.808 832 HG1 THR 111 HG1 THR 111 -5.375 -6.598 -6.880 833 1HG2 THR 111 1HG2 THR 111 -2.909 -5.372 -4.445 834 2HG2 THR 111 2HG2 THR 111 -4.225 -4.291 -4.958 835 3HG2 THR 111 3HG2 THR 111 -4.318 -5.126 -3.389 836 H LEU 112 H LEU 112 -6.006 -8.733 -3.031 837 HA LEU 112 HA LEU 112 -4.845 -8.029 -0.502 838 1HB LEU 112 1HB LEU 112 -7.221 -8.503 -0.755 839 2HB LEU 112 2HB LEU 112 -6.908 -10.104 -1.361 840 HG LEU 112 HG LEU 112 -7.737 -9.910 0.974 841 1HD1 LEU 112 1HD1 LEU 112 -6.451 -11.865 -0.004 842 2HD1 LEU 112 2HD1 LEU 112 -5.108 -11.345 1.034 843 3HD1 LEU 112 3HD1 LEU 112 -6.670 -11.774 1.753 844 1HD2 LEU 112 1HD2 LEU 112 -6.315 -7.924 1.608 845 2HD2 LEU 112 2HD2 LEU 112 -6.343 -9.233 2.807 846 3HD2 LEU 112 3HD2 LEU 112 -4.938 -9.019 1.753 847 H GLY 113 H GLY 113 -4.915 -11.005 -2.436 848 1HA GLY 113 1HA GLY 113 -3.287 -12.621 -2.768 849 2HA GLY 113 2HA GLY 113 -3.107 -12.648 -1.013 850 H VAL 114 H VAL 114 -2.180 -10.515 -3.791 851 HA VAL 114 HA VAL 114 0.558 -10.820 -3.642 852 HB VAL 114 HB VAL 114 -0.888 -8.282 -4.468 853 1HG1 VAL 114 1HG1 VAL 114 1.615 -8.020 -4.241 854 2HG1 VAL 114 2HG1 VAL 114 1.828 -9.351 -5.382 855 3HG1 VAL 114 3HG1 VAL 114 1.041 -7.842 -5.893 856 1HG2 VAL 114 1HG2 VAL 114 -0.170 -10.800 -6.038 857 2HG2 VAL 114 2HG2 VAL 114 -1.793 -10.148 -5.760 858 3HG2 VAL 114 3HG2 VAL 114 -0.672 -9.265 -6.784 859 H ALA 115 H ALA 115 -1.372 -8.256 -1.930 860 HA ALA 115 HA ALA 115 0.912 -7.097 -0.675 861 1HB ALA 115 1HB ALA 115 -1.198 -5.898 -1.057 862 2HB ALA 115 2HB ALA 115 -0.759 -5.870 0.659 863 3HB ALA 115 3HB ALA 115 -2.034 -6.969 0.094 864 H THR 116 H THR 116 -1.159 -9.811 0.343 865 HA THR 116 HA THR 116 -0.207 -9.805 3.097 866 HB THR 116 HB THR 116 -1.443 -12.080 1.483 867 HG1 THR 116 HG1 THR 116 -2.867 -10.424 1.552 868 1HG2 THR 116 1HG2 THR 116 -1.220 -11.618 4.503 869 2HG2 THR 116 2HG2 THR 116 -2.059 -12.970 3.701 870 3HG2 THR 116 3HG2 THR 116 -0.309 -12.825 3.566 871 H CYS 117 H CYS 117 0.539 -11.655 0.105 872 HA CYS 117 HA CYS 117 2.741 -13.144 0.960 873 1HB CYS 117 1HB CYS 117 1.784 -13.514 -1.188 874 2HB CYS 117 2HB CYS 117 2.046 -11.858 -1.701 875 H PHE 118 H PHE 118 2.755 -9.763 -0.428 876 HA PHE 118 HA PHE 118 5.427 -9.350 -0.284 877 1HB PHE 118 1HB PHE 118 3.804 -7.849 -1.329 878 2HB PHE 118 2HB PHE 118 3.165 -7.375 0.241 879 HD1 PHE 118 HD1 PHE 118 6.747 -7.750 0.266 880 HD2 PHE 118 HD2 PHE 118 3.610 -5.016 -0.787 881 HE1 PHE 118 HE1 PHE 118 8.361 -5.961 0.198 882 HE2 PHE 118 HE2 PHE 118 5.263 -3.142 -0.702 883 HZ PHE 118 HZ PHE 118 7.596 -3.575 -0.189 884 H LYS 119 H LYS 119 3.262 -8.205 2.238 885 HA LYS 119 HA LYS 119 4.989 -7.503 4.274 886 1HB LYS 119 1HB LYS 119 2.302 -7.759 4.175 887 2HB LYS 119 2HB LYS 119 2.603 -9.200 5.045 888 1HG LYS 119 1HG LYS 119 4.216 -7.519 6.517 889 2HG LYS 119 2HG LYS 119 3.072 -6.353 5.887 890 1HD LYS 119 1HD LYS 119 1.982 -6.850 7.806 891 2HD LYS 119 2HD LYS 119 1.289 -8.145 6.871 892 1HE LYS 119 1HE LYS 119 3.784 -8.406 8.617 893 2HE LYS 119 2HE LYS 119 2.150 -8.695 9.201 894 1HZ LYS 119 1HZ LYS 119 3.408 -10.259 7.032 895 2HZ LYS 119 2HZ LYS 119 3.302 -10.704 8.596 896 3HZ LYS 119 3HZ LYS 119 1.924 -10.521 7.721 897 H ALA 120 H ALA 120 3.704 -10.709 3.694 898 HA ALA 120 HA ALA 120 5.007 -12.024 5.845 899 1HB ALA 120 1HB ALA 120 4.552 -14.136 4.688 900 2HB ALA 120 2HB ALA 120 3.155 -13.057 4.503 901 3HB ALA 120 3HB ALA 120 4.291 -13.287 3.156 902 H GLU 121 H GLU 121 6.174 -11.454 2.531 903 HA GLU 121 HA GLU 121 8.675 -12.810 2.815 904 1HB GLU 121 1HB GLU 121 7.925 -10.481 0.993 905 2HB GLU 121 2HB GLU 121 9.342 -11.486 0.910 906 1HG GLU 121 1HG GLU 121 6.899 -13.151 0.873 907 2HG GLU 121 2HG GLU 121 6.995 -12.005 -0.468 908 H ILE 122 H ILE 122 7.861 -9.275 3.074 909 HA ILE 122 HA ILE 122 10.263 -8.318 3.857 910 HB ILE 122 HB ILE 122 7.647 -7.548 5.197 911 1HG1 ILE 122 1HG1 ILE 122 8.948 -6.213 2.825 912 2HG1 ILE 122 2HG1 ILE 122 7.581 -7.301 2.718 913 1HG2 ILE 122 1HG2 ILE 122 9.619 -6.723 6.453 914 2HG2 ILE 122 2HG2 ILE 122 10.235 -5.993 4.964 915 3HG2 ILE 122 3HG2 ILE 122 8.732 -5.405 5.725 916 1HD1 ILE 122 1HD1 ILE 122 6.327 -5.703 4.302 917 2HD1 ILE 122 2HD1 ILE 122 7.635 -4.545 3.970 918 3HD1 ILE 122 3HD1 ILE 122 6.631 -5.142 2.648 919 H HIS 123 H HIS 123 8.149 -10.325 5.935 920 HA HIS 123 HA HIS 123 9.655 -9.953 8.319 921 1HB HIS 123 1HB HIS 123 7.304 -11.212 7.649 922 2HB HIS 123 2HB HIS 123 8.351 -12.605 7.890 923 HD1 HIS 123 HD1 HIS 123 7.426 -13.403 10.302 924 HD2 HIS 123 HD2 HIS 123 8.222 -9.263 9.951 925 HE1 HIS 123 HE1 HIS 123 7.000 -12.399 12.556 926 H LYS 124 H LYS 124 10.686 -11.552 5.491 927 HA LYS 124 HA LYS 124 12.610 -13.325 6.928 928 1HB LYS 124 1HB LYS 124 11.680 -13.199 4.031 929 2HB LYS 124 2HB LYS 124 12.961 -14.240 4.604 930 1HG LYS 124 1HG LYS 124 11.539 -15.637 5.830 931 2HG LYS 124 2HG LYS 124 10.267 -14.423 5.945 932 1HD LYS 124 1HD LYS 124 9.553 -16.172 4.436 933 2HD LYS 124 2HD LYS 124 9.719 -14.640 3.605 934 1HE LYS 124 1HE LYS 124 10.504 -16.324 2.134 935 2HE LYS 124 2HE LYS 124 11.914 -15.379 2.660 936 1HZ LYS 124 1HZ LYS 124 11.166 -18.025 3.804 937 2HZ LYS 124 2HZ LYS 124 12.248 -17.791 2.622 938 3HZ LYS 124 3HZ LYS 124 12.553 -17.150 4.084 939 H LEU 125 H LEU 125 12.530 -10.123 5.595 940 HA LEU 125 HA LEU 125 15.076 -10.055 4.343 941 1HB LEU 125 1HB LEU 125 13.149 -8.067 5.545 942 2HB LEU 125 2HB LEU 125 14.730 -7.501 5.170 943 HG LEU 125 HG LEU 125 13.075 -8.919 3.075 944 1HD1 LEU 125 1HD1 LEU 125 12.537 -6.306 4.196 945 2HD1 LEU 125 2HD1 LEU 125 13.127 -6.117 2.540 946 3HD1 LEU 125 3HD1 LEU 125 11.780 -7.163 2.818 947 1HD2 LEU 125 1HD2 LEU 125 15.731 -7.488 3.178 948 2HD2 LEU 125 2HD2 LEU 125 15.233 -8.936 2.301 949 3HD2 LEU 125 3HD2 LEU 125 14.776 -7.319 1.716 950 H ASN 126 H ASN 126 16.809 -8.465 5.235 951 HA ASN 126 HA ASN 126 17.662 -9.144 7.941 952 1HB ASN 126 1HB ASN 126 19.719 -8.238 7.185 953 2HB ASN 126 2HB ASN 126 19.193 -9.366 5.948 954 1HD2 ASN 126 1HD2 ASN 126 20.877 -6.639 6.139 955 2HD2 ASN 126 2HD2 ASN 126 20.355 -5.886 4.645 956 H TRP 127 H TRP 127 15.583 -6.884 6.655 957 HA TRP 127 HA TRP 127 16.163 -4.908 8.670 958 1HB TRP 127 1HB TRP 127 16.130 -3.023 7.179 959 2HB TRP 127 2HB TRP 127 17.432 -4.077 6.702 960 HD1 TRP 127 HD1 TRP 127 16.385 -5.940 4.671 961 HE1 TRP 127 HE1 TRP 127 15.258 -5.306 2.467 962 HE3 TRP 127 HE3 TRP 127 14.906 -1.178 5.853 963 HZ2 TRP 127 HZ2 TRP 127 13.869 -3.097 1.374 964 HZ3 TRP 127 HZ3 TRP 127 13.703 0.186 4.167 965 HH2 TRP 127 HH2 TRP 127 13.150 -0.773 1.931 966 H ALA 128 H ALA 128 14.393 -3.193 8.472 967 HA ALA 128 HA ALA 128 11.747 -4.358 7.775 968 1HB ALA 128 1HB ALA 128 12.586 -2.776 10.238 969 2HB ALA 128 2HB ALA 128 11.925 -4.423 10.176 970 3HB ALA 128 3HB ALA 128 10.912 -3.031 9.758 971 HA PRO 129 HA PRO 129 11.861 -0.308 5.550 972 1HB PRO 129 1HB PRO 129 9.465 -1.295 4.211 973 2HB PRO 129 2HB PRO 129 11.027 -0.870 3.482 974 1HG PRO 129 1HG PRO 129 9.974 -3.491 3.725 975 2HG PRO 129 2HG PRO 129 11.679 -3.079 3.409 976 1HD PRO 129 1HD PRO 129 10.406 -3.906 5.961 977 2HD PRO 129 2HD PRO 129 12.087 -4.150 5.394 978 H SER 130 H SER 130 10.527 1.389 6.343 979 HA SER 130 HA SER 130 8.511 0.880 8.250 980 1HB SER 130 1HB SER 130 8.697 3.258 6.415 981 2HB SER 130 2HB SER 130 8.007 3.220 8.033 982 HG SER 130 HG SER 130 10.113 4.139 8.003 983 H MET 131 H MET 131 6.205 1.108 7.945 984 HA MET 131 HA MET 131 5.224 -0.338 5.658 985 1HB MET 131 1HB MET 131 4.114 0.856 8.150 986 2HB MET 131 2HB MET 131 3.011 0.713 6.789 987 1HG MET 131 1HG MET 131 4.675 -1.669 7.508 988 2HG MET 131 2HG MET 131 3.311 -1.202 8.509 989 1HE MET 131 1HE MET 131 4.224 -3.677 5.987 990 2HE MET 131 2HE MET 131 3.047 -3.568 4.661 991 3HE MET 131 3HE MET 131 4.318 -2.338 4.822 992 H ASP 132 H ASP 132 5.319 3.123 6.410 993 HA ASP 132 HA ASP 132 3.878 4.137 4.217 994 1HB ASP 132 1HB ASP 132 4.678 6.126 4.819 995 2HB ASP 132 2HB ASP 132 5.338 5.211 6.203 996 H VAL 133 H VAL 133 7.386 3.606 4.255 997 HA VAL 133 HA VAL 133 7.842 3.702 1.514 998 HB VAL 133 HB VAL 133 9.257 2.132 3.673 999 1HG1 VAL 133 1HG1 VAL 133 10.202 2.430 0.800 1000 2HG1 VAL 133 2HG1 VAL 133 11.156 1.804 2.158 1001 3HG1 VAL 133 3HG1 VAL 133 9.746 0.911 1.588 1002 1HG2 VAL 133 1HG2 VAL 133 9.392 4.604 3.758 1003 2HG2 VAL 133 2HG2 VAL 133 10.971 3.914 3.367 1004 3HG2 VAL 133 3HG2 VAL 133 9.984 4.652 2.099 1005 H ALA 134 H ALA 134 7.199 0.656 3.304 1006 HA ALA 134 HA ALA 134 7.205 -1.026 0.984 1007 1HB ALA 134 1HB ALA 134 7.470 -1.953 3.204 1008 2HB ALA 134 2HB ALA 134 6.025 -2.657 2.455 1009 3HB ALA 134 3HB ALA 134 5.861 -1.377 3.683 1010 H VAL 135 H VAL 135 4.286 0.397 2.654 1011 HA VAL 135 HA VAL 135 2.576 -0.837 0.660 1012 HB VAL 135 HB VAL 135 1.882 1.367 2.624 1013 1HG1 VAL 135 1HG1 VAL 135 0.197 -0.475 0.874 1014 2HG1 VAL 135 2HG1 VAL 135 -0.461 0.373 2.288 1015 3HG1 VAL 135 3HG1 VAL 135 0.196 1.292 0.934 1016 1HG2 VAL 135 1HG2 VAL 135 1.536 -1.671 2.847 1017 2HG2 VAL 135 2HG2 VAL 135 2.652 -0.699 3.813 1018 3HG2 VAL 135 3HG2 VAL 135 0.924 -0.475 4.007 1019 H GLY 136 H GLY 136 4.353 2.259 0.902 1020 1HA GLY 136 1HA GLY 136 4.714 3.856 -0.636 1021 2HA GLY 136 2HA GLY 136 3.091 3.619 -1.217 1022 H GLU 137 H GLU 137 5.735 1.130 -1.194 1023 HA GLU 137 HA GLU 137 6.605 1.446 -3.836 1024 1HB GLU 137 1HB GLU 137 6.879 -0.894 -1.999 1025 2HB GLU 137 2HB GLU 137 7.679 -0.730 -3.568 1026 1HG GLU 137 1HG GLU 137 7.926 1.634 -1.802 1027 2HG GLU 137 2HG GLU 137 8.591 0.191 -1.152 1028 H ILE 138 H ILE 138 4.687 -1.127 -2.339 1029 HA ILE 138 HA ILE 138 4.080 -2.509 -4.728 1030 HB ILE 138 HB ILE 138 3.875 -3.546 -2.566 1031 1HG1 ILE 138 1HG1 ILE 138 1.144 -3.646 -3.894 1032 2HG1 ILE 138 2HG1 ILE 138 2.588 -4.425 -4.534 1033 1HG2 ILE 138 1HG2 ILE 138 2.863 -1.604 -1.334 1034 2HG2 ILE 138 2HG2 ILE 138 1.302 -1.980 -2.081 1035 3HG2 ILE 138 3HG2 ILE 138 2.076 -3.142 -0.975 1036 1HD1 ILE 138 1HD1 ILE 138 1.370 -5.102 -1.820 1037 2HD1 ILE 138 2HD1 ILE 138 1.070 -5.980 -3.319 1038 3HD1 ILE 138 3HD1 ILE 138 2.701 -5.961 -2.640 1039 H LEU 139 H LEU 139 2.415 0.267 -3.364 1040 HA LEU 139 HA LEU 139 0.141 0.081 -5.195 1041 1HB LEU 139 1HB LEU 139 1.263 2.206 -3.367 1042 2HB LEU 139 2HB LEU 139 -0.105 2.473 -4.323 1043 HG LEU 139 HG LEU 139 0.147 0.264 -2.180 1044 1HD1 LEU 139 1HD1 LEU 139 -1.428 2.865 -2.141 1045 2HD1 LEU 139 2HD1 LEU 139 -1.598 1.553 -0.937 1046 3HD1 LEU 139 3HD1 LEU 139 -0.063 2.395 -1.105 1047 1HD2 LEU 139 1HD2 LEU 139 -2.232 1.038 -3.824 1048 2HD2 LEU 139 2HD2 LEU 139 -1.366 -0.519 -3.855 1049 3HD2 LEU 139 3HD2 LEU 139 -2.281 -0.032 -2.430 1050 H ALA 140 H ALA 140 3.138 1.879 -5.067 1051 HA ALA 140 HA ALA 140 2.814 3.182 -7.628 1052 1HB ALA 140 1HB ALA 140 4.624 3.818 -6.100 1053 2HB ALA 140 2HB ALA 140 5.423 2.250 -6.381 1054 3HB ALA 140 3HB ALA 140 5.241 3.399 -7.706 1055 H GLU 141 H GLU 141 2.934 -0.227 -7.068 1056 HA GLU 141 HA GLU 141 4.011 -0.773 -9.762 1057 1HB GLU 141 1HB GLU 141 4.108 -2.146 -7.062 1058 2HB GLU 141 2HB GLU 141 4.574 -2.954 -8.562 1059 1HG GLU 141 1HG GLU 141 6.249 -1.258 -9.016 1060 2HG GLU 141 2HG GLU 141 5.827 -0.356 -7.554 1061 H VAL 142 H VAL 142 1.379 -1.774 -7.519 1062 HA VAL 142 HA VAL 142 0.772 -4.064 -9.149 1063 HB VAL 142 HB VAL 142 -0.150 -2.962 -6.517 1064 1HG1 VAL 142 1HG1 VAL 142 -1.715 -5.058 -8.036 1065 2HG1 VAL 142 2HG1 VAL 142 -1.780 -4.830 -6.278 1066 3HG1 VAL 142 3HG1 VAL 142 -2.304 -3.523 -7.349 1067 1HG2 VAL 142 1HG2 VAL 142 1.815 -4.441 -6.758 1068 2HG2 VAL 142 2HG2 VAL 142 0.536 -5.213 -5.796 1069 3HG2 VAL 142 3HG2 VAL 142 0.794 -5.697 -7.483 No H/Q in entry = 1069 Start of MODEL 14 1 H SER 1 H SER 1 -9.869 9.743 10.536 2 HA SER 1 HA SER 1 -8.301 9.899 12.505 3 1HB SER 1 1HB SER 1 -7.308 9.302 9.706 4 2HB SER 1 2HB SER 1 -6.314 9.049 11.156 5 HG SER 1 HG SER 1 -7.333 7.177 10.961 6 H GLN 2 H GLN 2 -6.279 10.733 13.242 7 HA GLN 2 HA GLN 2 -5.939 13.561 12.619 8 1HB GLN 2 1HB GLN 2 -4.571 13.576 14.596 9 2HB GLN 2 2HB GLN 2 -5.947 12.526 14.915 10 1HG GLN 2 1HG GLN 2 -4.274 10.606 14.077 11 2HG GLN 2 2HG GLN 2 -3.062 11.812 14.506 12 1HE2 GLN 2 1HE2 GLN 2 -5.156 9.378 15.642 13 2HE2 GLN 2 2HE2 GLN 2 -5.149 9.664 17.350 14 H GLU 3 H GLU 3 -3.574 14.431 12.404 15 HA GLU 3 HA GLU 3 -1.748 12.719 10.870 16 1HB GLU 3 1HB GLU 3 -2.892 15.285 9.885 17 2HB GLU 3 2HB GLU 3 -1.497 14.468 9.180 18 1HG GLU 3 1HG GLU 3 -3.025 12.472 8.783 19 2HG GLU 3 2HG GLU 3 -4.387 13.503 9.248 20 H VAL 4 H VAL 4 -0.727 12.927 12.967 21 HA VAL 4 HA VAL 4 0.668 15.525 13.416 22 HB VAL 4 HB VAL 4 -0.565 13.916 15.688 23 1HG1 VAL 4 1HG1 VAL 4 0.438 16.805 15.459 24 2HG1 VAL 4 2HG1 VAL 4 -0.340 16.106 16.902 25 3HG1 VAL 4 3HG1 VAL 4 1.221 15.495 16.363 26 1HG2 VAL 4 1HG2 VAL 4 -1.767 16.307 14.245 27 2HG2 VAL 4 2HG2 VAL 4 -2.475 14.674 14.368 28 3HG2 VAL 4 3HG2 VAL 4 -2.331 15.687 15.798 29 H MET 5 H MET 5 1.939 13.546 12.034 30 HA MET 5 HA MET 5 3.686 12.237 11.922 31 1HB MET 5 1HB MET 5 4.321 14.353 13.638 32 2HB MET 5 2HB MET 5 5.141 12.917 14.290 33 1HG MET 5 1HG MET 5 5.685 12.709 11.576 34 2HG MET 5 2HG MET 5 5.592 14.451 11.774 35 1HE MET 5 1HE MET 5 6.622 14.875 14.700 36 2HE MET 5 2HE MET 5 8.380 15.014 14.525 37 3HE MET 5 3HE MET 5 7.297 15.833 13.369 38 H LYS 6 H LYS 6 1.484 11.292 12.988 39 HA LYS 6 HA LYS 6 1.899 9.316 15.115 40 1HB LYS 6 1HB LYS 6 -0.381 10.031 13.300 41 2HB LYS 6 2HB LYS 6 -0.432 8.596 14.303 42 1HG LYS 6 1HG LYS 6 0.252 11.328 15.473 43 2HG LYS 6 2HG LYS 6 -1.370 10.717 15.286 44 1HD LYS 6 1HD LYS 6 -0.917 8.799 16.737 45 2HD LYS 6 2HD LYS 6 0.739 9.401 17.008 46 1HE LYS 6 1HE LYS 6 -0.130 11.495 17.936 47 2HE LYS 6 2HE LYS 6 -1.790 11.017 17.547 48 1HZ LYS 6 1HZ LYS 6 -1.583 9.217 19.159 49 2HZ LYS 6 2HZ LYS 6 -0.034 9.703 19.518 50 3HZ LYS 6 3HZ LYS 6 -1.308 10.669 19.851 51 H ASN 7 H ASN 7 0.938 6.877 14.271 52 HA ASN 7 HA ASN 7 2.998 5.963 12.528 53 1HB ASN 7 1HB ASN 7 2.189 3.905 12.919 54 2HB ASN 7 2HB ASN 7 1.364 4.673 14.213 55 1HD2 ASN 7 1HD2 ASN 7 -0.943 5.456 13.629 56 2HD2 ASN 7 2HD2 ASN 7 -1.882 4.521 12.469 57 H LEU 8 H LEU 8 2.662 5.049 10.486 58 HA LEU 8 HA LEU 8 2.416 5.480 8.261 59 1HB LEU 8 1HB LEU 8 0.834 3.845 8.711 60 2HB LEU 8 2HB LEU 8 -0.372 4.964 9.304 61 HG LEU 8 HG LEU 8 -0.711 3.862 7.066 62 1HD1 LEU 8 1HD1 LEU 8 -1.758 6.125 8.024 63 2HD1 LEU 8 2HD1 LEU 8 -0.915 6.797 6.613 64 3HD1 LEU 8 3HD1 LEU 8 -2.128 5.503 6.424 65 1HD2 LEU 8 1HD2 LEU 8 1.644 4.309 6.239 66 2HD2 LEU 8 2HD2 LEU 8 0.316 4.628 5.130 67 3HD2 LEU 8 3HD2 LEU 8 1.117 5.995 5.932 68 H SER 9 H SER 9 3.247 7.481 7.878 69 HA SER 9 HA SER 9 1.828 9.880 8.574 70 1HB SER 9 1HB SER 9 4.435 9.124 7.697 71 2HB SER 9 2HB SER 9 3.808 10.302 6.530 72 HG SER 9 HG SER 9 4.500 11.615 7.949 73 H LEU 10 H LEU 10 2.086 7.958 5.579 74 HA LEU 10 HA LEU 10 1.091 9.756 3.807 75 1HB LEU 10 1HB LEU 10 0.752 6.785 3.788 76 2HB LEU 10 2HB LEU 10 0.139 7.781 2.489 77 HG LEU 10 HG LEU 10 2.974 6.962 3.063 78 1HD1 LEU 10 1HD1 LEU 10 1.568 5.911 1.298 79 2HD1 LEU 10 2HD1 LEU 10 1.562 7.473 0.446 80 3HD1 LEU 10 3HD1 LEU 10 3.081 6.621 0.737 81 1HD2 LEU 10 1HD2 LEU 10 2.232 9.596 1.686 82 2HD2 LEU 10 2HD2 LEU 10 3.275 9.395 3.113 83 3HD2 LEU 10 3HD2 LEU 10 3.794 8.786 1.542 84 H ASN 11 H ASN 11 -0.834 10.310 2.757 85 HA ASN 11 HA ASN 11 -2.918 10.808 4.659 86 1HB ASN 11 1HB ASN 11 -2.086 12.506 3.138 87 2HB ASN 11 2HB ASN 11 -2.574 11.556 1.755 88 1HD2 ASN 11 1HD2 ASN 11 -3.873 13.200 0.915 89 2HD2 ASN 11 2HD2 ASN 11 -5.287 13.852 1.754 90 H PHE 12 H PHE 12 -3.158 8.200 4.621 91 HA PHE 12 HA PHE 12 -4.651 7.113 2.458 92 1HB PHE 12 1HB PHE 12 -3.814 6.167 5.182 93 2HB PHE 12 2HB PHE 12 -5.042 5.265 4.315 94 HD1 PHE 12 HD1 PHE 12 -1.450 5.964 4.455 95 HD2 PHE 12 HD2 PHE 12 -4.640 4.520 1.942 96 HE1 PHE 12 HE1 PHE 12 0.208 4.934 2.901 97 HE2 PHE 12 HE2 PHE 12 -2.940 3.626 0.338 98 HZ PHE 12 HZ PHE 12 -0.512 3.883 0.858 99 H GLY 13 H GLY 13 -5.796 8.529 5.543 100 1HA GLY 13 1HA GLY 13 -7.954 9.039 6.200 101 2HA GLY 13 2HA GLY 13 -8.346 7.417 5.612 102 H LYS 14 H LYS 14 -7.428 10.509 3.990 103 HA LYS 14 HA LYS 14 -10.022 10.922 2.869 104 1HB LYS 14 1HB LYS 14 -7.304 12.129 2.612 105 2HB LYS 14 2HB LYS 14 -8.239 12.239 1.131 106 1HG LYS 14 1HG LYS 14 -9.400 13.034 3.822 107 2HG LYS 14 2HG LYS 14 -8.470 14.166 2.843 108 1HD LYS 14 1HD LYS 14 -10.866 12.658 1.683 109 2HD LYS 14 2HD LYS 14 -11.077 14.137 2.596 110 1HE LYS 14 1HE LYS 14 -9.369 13.904 0.079 111 2HE LYS 14 2HE LYS 14 -11.034 14.496 0.158 112 1HZ LYS 14 1HZ LYS 14 -10.184 16.210 1.746 113 2HZ LYS 14 2HZ LYS 14 -8.661 15.773 1.368 114 3HZ LYS 14 3HZ LYS 14 -9.593 16.351 0.187 115 H ALA 15 H ALA 15 -7.058 9.525 1.338 116 HA ALA 15 HA ALA 15 -8.249 9.085 -1.190 117 1HB ALA 15 1HB ALA 15 -6.140 7.384 0.191 118 2HB ALA 15 2HB ALA 15 -6.394 7.580 -1.563 119 3HB ALA 15 3HB ALA 15 -5.807 8.942 -0.597 120 H LEU 16 H LEU 16 -8.291 6.981 1.741 121 HA LEU 16 HA LEU 16 -9.638 4.740 0.563 122 1HB LEU 16 1HB LEU 16 -9.370 5.888 3.376 123 2HB LEU 16 2HB LEU 16 -10.467 4.564 3.091 124 HG LEU 16 HG LEU 16 -7.536 4.396 2.307 125 1HD1 LEU 16 1HD1 LEU 16 -7.715 4.781 4.739 126 2HD1 LEU 16 2HD1 LEU 16 -8.893 3.435 4.855 127 3HD1 LEU 16 3HD1 LEU 16 -7.229 3.117 4.350 128 1HD2 LEU 16 1HD2 LEU 16 -9.074 2.689 1.286 129 2HD2 LEU 16 2HD2 LEU 16 -7.948 1.975 2.451 130 3HD2 LEU 16 3HD2 LEU 16 -9.619 2.254 2.941 131 H ASP 17 H ASP 17 -10.862 7.715 2.187 132 HA ASP 17 HA ASP 17 -13.621 7.036 2.059 133 1HB ASP 17 1HB ASP 17 -12.351 8.892 3.399 134 2HB ASP 17 2HB ASP 17 -12.549 9.868 1.968 135 H GLU 18 H GLU 18 -11.457 7.890 -0.513 136 HA GLU 18 HA GLU 18 -13.682 8.784 -2.269 137 1HB GLU 18 1HB GLU 18 -10.679 8.651 -2.776 138 2HB GLU 18 2HB GLU 18 -11.899 9.478 -3.744 139 1HG GLU 18 1HG GLU 18 -11.780 10.367 -0.946 140 2HG GLU 18 2HG GLU 18 -10.339 10.693 -1.881 141 H CYS 19 H CYS 19 -11.045 6.361 -2.134 142 HA CYS 19 HA CYS 19 -11.815 4.720 -4.265 143 1HB CYS 19 1HB CYS 19 -10.338 4.409 -1.653 144 2HB CYS 19 2HB CYS 19 -10.768 2.951 -2.498 145 H LYS 20 H LYS 20 -12.998 4.655 -0.887 146 HA LYS 20 HA LYS 20 -14.686 2.397 -1.262 147 1HB LYS 20 1HB LYS 20 -15.678 2.985 0.880 148 2HB LYS 20 2HB LYS 20 -13.936 3.240 0.920 149 1HG LYS 20 1HG LYS 20 -14.556 5.123 1.963 150 2HG LYS 20 2HG LYS 20 -14.497 5.709 0.301 151 1HD LYS 20 1HD LYS 20 -16.368 6.652 1.278 152 2HD LYS 20 2HD LYS 20 -17.017 5.433 0.192 153 1HE LYS 20 1HE LYS 20 -17.177 3.845 2.173 154 2HE LYS 20 2HE LYS 20 -16.591 5.160 3.212 155 1HZ LYS 20 1HZ LYS 20 -18.509 6.454 2.531 156 2HZ LYS 20 2HZ LYS 20 -19.068 5.188 1.610 157 3HZ LYS 20 3HZ LYS 20 -18.980 5.041 3.237 158 H LYS 21 H LYS 21 -15.110 5.650 -2.451 159 HA LYS 21 HA LYS 21 -17.974 5.260 -2.808 160 1HB LYS 21 1HB LYS 21 -16.198 7.547 -3.756 161 2HB LYS 21 2HB LYS 21 -17.963 7.469 -3.831 162 1HG LYS 21 1HG LYS 21 -18.044 7.272 -1.328 163 2HG LYS 21 2HG LYS 21 -16.302 7.381 -1.279 164 1HD LYS 21 1HD LYS 21 -16.315 9.651 -2.160 165 2HD LYS 21 2HD LYS 21 -18.091 9.618 -2.297 166 1HE LYS 21 1HE LYS 21 -18.322 9.300 0.126 167 2HE LYS 21 2HE LYS 21 -16.590 9.069 0.302 168 1HZ LYS 21 1HZ LYS 21 -16.287 11.401 -0.384 169 2HZ LYS 21 2HZ LYS 21 -17.903 11.641 -0.327 170 3HZ LYS 21 3HZ LYS 21 -17.059 11.209 1.014 171 H GLU 22 H GLU 22 -14.982 5.632 -4.832 172 HA GLU 22 HA GLU 22 -16.194 5.094 -7.276 173 1HB GLU 22 1HB GLU 22 -13.343 4.531 -6.357 174 2HB GLU 22 2HB GLU 22 -13.884 4.376 -8.036 175 1HG GLU 22 1HG GLU 22 -14.645 6.757 -7.995 176 2HG GLU 22 2HG GLU 22 -13.982 6.903 -6.361 177 H MET 23 H MET 23 -15.044 2.630 -4.944 178 HA MET 23 HA MET 23 -15.992 0.540 -6.822 179 1HB MET 23 1HB MET 23 -15.009 -0.579 -4.386 180 2HB MET 23 2HB MET 23 -14.540 -0.801 -6.019 181 1HG MET 23 1HG MET 23 -13.150 1.366 -5.731 182 2HG MET 23 2HG MET 23 -13.387 1.027 -3.994 183 1HE MET 23 1HE MET 23 -11.759 0.208 -7.246 184 2HE MET 23 2HE MET 23 -10.852 -1.288 -6.983 185 3HE MET 23 3HE MET 23 -12.617 -1.348 -7.186 186 H THR 24 H THR 24 -17.504 2.423 -4.579 187 HA THR 24 HA THR 24 -18.809 2.236 -2.792 188 HB THR 24 HB THR 24 -20.318 0.173 -4.376 189 HG1 THR 24 HG1 THR 24 -21.163 2.038 -5.478 190 1HG2 THR 24 1HG2 THR 24 -21.131 2.538 -2.621 191 2HG2 THR 24 2HG2 THR 24 -22.251 1.452 -3.471 192 3HG2 THR 24 3HG2 THR 24 -21.221 0.830 -2.156 193 H LEU 25 H LEU 25 -16.950 1.350 -1.677 194 HA LEU 25 HA LEU 25 -17.055 -1.505 -0.864 195 1HB LEU 25 1HB LEU 25 -15.088 0.606 0.113 196 2HB LEU 25 2HB LEU 25 -15.015 -1.115 0.399 197 HG LEU 25 HG LEU 25 -14.706 0.134 -2.367 198 1HD1 LEU 25 1HD1 LEU 25 -12.863 0.738 -0.847 199 2HD1 LEU 25 2HD1 LEU 25 -12.613 -0.972 -0.435 200 3HD1 LEU 25 3HD1 LEU 25 -12.314 -0.392 -2.086 201 1HD2 LEU 25 1HD2 LEU 25 -15.518 -2.202 -2.472 202 2HD2 LEU 25 2HD2 LEU 25 -13.854 -2.039 -3.038 203 3HD2 LEU 25 3HD2 LEU 25 -14.162 -2.719 -1.424 204 H THR 26 H THR 26 -16.326 -1.216 1.876 205 HA THR 26 HA THR 26 -18.910 -0.575 3.006 206 HB THR 26 HB THR 26 -17.750 -1.524 5.060 207 HG1 THR 26 HG1 THR 26 -15.674 -2.610 4.453 208 1HG2 THR 26 1HG2 THR 26 -19.007 -3.027 3.538 209 2HG2 THR 26 2HG2 THR 26 -17.547 -3.291 2.575 210 3HG2 THR 26 3HG2 THR 26 -17.616 -3.835 4.264 211 H ASP 27 H ASP 27 -18.810 0.656 5.172 212 HA ASP 27 HA ASP 27 -17.152 3.091 5.115 213 1HB ASP 27 1HB ASP 27 -19.473 2.885 6.173 214 2HB ASP 27 2HB ASP 27 -18.731 1.930 7.453 215 H ALA 28 H ALA 28 -17.038 -0.162 6.380 216 HA ALA 28 HA ALA 28 -15.446 0.053 8.643 217 1HB ALA 28 1HB ALA 28 -16.706 -2.031 7.898 218 2HB ALA 28 2HB ALA 28 -15.045 -2.343 8.407 219 3HB ALA 28 3HB ALA 28 -15.445 -2.286 6.687 220 H ILE 29 H ILE 29 -14.342 -0.173 5.272 221 HA ILE 29 HA ILE 29 -11.596 -0.570 5.574 222 HB ILE 29 HB ILE 29 -11.283 0.576 3.507 223 1HG1 ILE 29 1HG1 ILE 29 -13.587 1.211 2.319 224 2HG1 ILE 29 2HG1 ILE 29 -14.137 1.504 3.975 225 1HG2 ILE 29 1HG2 ILE 29 -11.908 -1.761 3.481 226 2HG2 ILE 29 2HG2 ILE 29 -13.626 -1.342 3.503 227 3HG2 ILE 29 3HG2 ILE 29 -12.635 -0.909 2.108 228 1HD1 ILE 29 1HD1 ILE 29 -11.939 2.828 4.243 229 2HD1 ILE 29 2HD1 ILE 29 -11.812 2.741 2.508 230 3HD1 ILE 29 3HD1 ILE 29 -13.209 3.576 3.240 231 H ASN 30 H ASN 30 -13.322 2.230 6.741 232 HA ASN 30 HA ASN 30 -11.203 4.068 6.701 233 1HB ASN 30 1HB ASN 30 -13.640 4.479 7.383 234 2HB ASN 30 2HB ASN 30 -13.260 3.789 8.955 235 1HD2 ASN 30 1HD2 ASN 30 -12.091 6.318 6.630 236 2HD2 ASN 30 2HD2 ASN 30 -11.657 7.455 7.888 237 H GLU 31 H GLU 31 -11.818 1.424 8.892 238 HA GLU 31 HA GLU 31 -9.198 1.954 10.262 239 1HB GLU 31 1HB GLU 31 -11.732 0.899 11.578 240 2HB GLU 31 2HB GLU 31 -10.119 0.927 12.301 241 1HG GLU 31 1HG GLU 31 -10.220 3.512 11.665 242 2HG GLU 31 2HG GLU 31 -11.962 3.240 11.711 243 H ASP 32 H ASP 32 -11.436 -0.490 8.865 244 HA ASP 32 HA ASP 32 -9.887 -2.685 9.787 245 1HB ASP 32 1HB ASP 32 -12.270 -2.764 8.953 246 2HB ASP 32 2HB ASP 32 -11.622 -2.688 7.306 247 H PHE 33 H PHE 33 -9.454 -0.529 7.033 248 HA PHE 33 HA PHE 33 -7.551 -2.071 5.551 249 1HB PHE 33 1HB PHE 33 -8.606 0.015 4.765 250 2HB PHE 33 2HB PHE 33 -7.786 0.928 6.016 251 HD1 PHE 33 HD1 PHE 33 -5.578 1.781 5.696 252 HD2 PHE 33 HD2 PHE 33 -7.242 -1.038 2.888 253 HE1 PHE 33 HE1 PHE 33 -3.865 2.427 4.027 254 HE2 PHE 33 HE2 PHE 33 -5.502 -0.411 1.235 255 HZ PHE 33 HZ PHE 33 -3.804 1.338 1.814 256 H TYR 34 H TYR 34 -7.301 0.073 8.342 257 HA TYR 34 HA TYR 34 -4.432 0.021 8.626 258 1HB TYR 34 1HB TYR 34 -6.605 0.884 10.567 259 2HB TYR 34 2HB TYR 34 -4.892 1.105 10.758 260 HD1 TYR 34 HD1 TYR 34 -7.714 1.923 8.341 261 HD2 TYR 34 HD2 TYR 34 -3.912 3.109 9.974 262 HE1 TYR 34 HE1 TYR 34 -7.802 3.959 7.008 263 HE2 TYR 34 HE2 TYR 34 -3.934 5.160 8.551 264 HH TYR 34 HH TYR 34 -6.894 6.199 6.958 265 H ASN 35 H ASN 35 -7.134 -1.654 10.170 266 HA ASN 35 HA ASN 35 -5.865 -3.239 12.075 267 1HB ASN 35 1HB ASN 35 -8.116 -4.107 10.220 268 2HB ASN 35 2HB ASN 35 -7.465 -5.140 11.465 269 1HD2 ASN 35 1HD2 ASN 35 -10.193 -4.332 11.311 270 2HD2 ASN 35 2HD2 ASN 35 -10.499 -3.526 12.836 271 H PHE 36 H PHE 36 -5.762 -3.777 8.564 272 HA PHE 36 HA PHE 36 -4.909 -6.394 8.438 273 1HB PHE 36 1HB PHE 36 -5.472 -5.123 6.474 274 2HB PHE 36 2HB PHE 36 -4.126 -4.023 6.764 275 HD1 PHE 36 HD1 PHE 36 -2.829 -4.148 4.810 276 HD2 PHE 36 HD2 PHE 36 -4.040 -7.807 6.771 277 HE1 PHE 36 HE1 PHE 36 -1.319 -5.432 3.353 278 HE2 PHE 36 HE2 PHE 36 -2.420 -9.053 5.380 279 HZ PHE 36 HZ PHE 36 -1.074 -7.881 3.659 280 H TRP 37 H TRP 37 -2.957 -3.564 9.322 281 HA TRP 37 HA TRP 37 -0.466 -4.971 8.924 282 1HB TRP 37 1HB TRP 37 -0.695 -2.308 10.296 283 2HB TRP 37 2HB TRP 37 0.526 -2.868 9.159 284 HD1 TRP 37 HD1 TRP 37 -1.389 -3.629 6.740 285 HE1 TRP 37 HE1 TRP 37 -2.638 -1.800 5.444 286 HE3 TRP 37 HE3 TRP 37 -1.149 0.105 10.208 287 HZ2 TRP 37 HZ2 TRP 37 -3.073 1.022 5.720 288 HZ3 TRP 37 HZ3 TRP 37 -1.879 2.399 9.631 289 HH2 TRP 37 HH2 TRP 37 -2.830 2.882 7.362 290 H LYS 38 H LYS 38 -2.587 -5.052 11.501 291 HA LYS 38 HA LYS 38 -0.715 -4.780 13.719 292 1HB LYS 38 1HB LYS 38 -3.550 -5.875 13.423 293 2HB LYS 38 2HB LYS 38 -2.721 -5.709 14.977 294 1HG LYS 38 1HG LYS 38 -2.528 -3.290 14.645 295 2HG LYS 38 2HG LYS 38 -3.242 -3.402 13.031 296 1HD LYS 38 1HD LYS 38 -5.363 -4.225 14.013 297 2HD LYS 38 2HD LYS 38 -4.673 -3.998 15.638 298 1HE LYS 38 1HE LYS 38 -4.265 -1.613 15.147 299 2HE LYS 38 2HE LYS 38 -4.887 -1.807 13.514 300 1HZ LYS 38 1HZ LYS 38 -6.549 -2.326 15.905 301 2HZ LYS 38 2HZ LYS 38 -6.466 -0.855 15.157 302 3HZ LYS 38 3HZ LYS 38 -7.044 -2.180 14.366 303 H GLU 39 H GLU 39 0.358 -6.554 14.767 304 HA GLU 39 HA GLU 39 0.760 -8.827 13.027 305 1HB GLU 39 1HB GLU 39 1.790 -8.118 15.797 306 2HB GLU 39 2HB GLU 39 2.059 -9.697 15.065 307 1HG GLU 39 1HG GLU 39 2.880 -8.416 12.964 308 2HG GLU 39 2HG GLU 39 3.015 -7.023 14.045 309 H GLY 40 H GLY 40 0.059 -10.854 13.165 310 1HA GLY 40 1HA GLY 40 -1.548 -11.938 15.286 311 2HA GLY 40 2HA GLY 40 -1.197 -12.671 13.730 312 H TYR 41 H TYR 41 -2.474 -9.786 12.806 313 HA TYR 41 HA TYR 41 -5.342 -10.536 12.917 314 1HB TYR 41 1HB TYR 41 -3.753 -8.127 12.869 315 2HB TYR 41 2HB TYR 41 -4.603 -8.164 11.403 316 HD1 TYR 41 HD1 TYR 41 -7.348 -8.378 11.639 317 HD2 TYR 41 HD2 TYR 41 -4.619 -7.321 14.812 318 HE1 TYR 41 HE1 TYR 41 -9.162 -7.216 12.809 319 HE2 TYR 41 HE2 TYR 41 -6.395 -6.010 15.899 320 HH TYR 41 HH TYR 41 -8.639 -5.155 15.657 321 H GLU 42 H GLU 42 -5.978 -11.968 11.199 322 HA GLU 42 HA GLU 42 -4.394 -11.932 8.706 323 1HB GLU 42 1HB GLU 42 -5.415 -14.096 10.393 324 2HB GLU 42 2HB GLU 42 -5.930 -14.213 8.720 325 1HG GLU 42 1HG GLU 42 -3.449 -13.795 8.121 326 2HG GLU 42 2HG GLU 42 -3.111 -14.240 9.771 327 H ILE 43 H ILE 43 -5.520 -10.285 7.637 328 HA ILE 43 HA ILE 43 -8.460 -10.363 7.564 329 HB ILE 43 HB ILE 43 -6.491 -8.305 6.471 330 1HG1 ILE 43 1HG1 ILE 43 -7.147 -6.822 8.252 331 2HG1 ILE 43 2HG1 ILE 43 -8.221 -7.982 8.963 332 1HG2 ILE 43 1HG2 ILE 43 -8.706 -8.348 5.342 333 2HG2 ILE 43 2HG2 ILE 43 -9.508 -8.222 6.915 334 3HG2 ILE 43 3HG2 ILE 43 -8.487 -6.891 6.334 335 1HD1 ILE 43 1HD1 ILE 43 -5.249 -8.493 8.749 336 2HD1 ILE 43 2HD1 ILE 43 -6.004 -7.514 10.027 337 3HD1 ILE 43 3HD1 ILE 43 -6.448 -9.227 9.844 338 H LYS 44 H LYS 44 -8.700 -12.274 6.215 339 HA LYS 44 HA LYS 44 -7.463 -12.116 3.529 340 1HB LYS 44 1HB LYS 44 -8.957 -14.428 4.759 341 2HB LYS 44 2HB LYS 44 -8.073 -14.410 3.229 342 1HG LYS 44 1HG LYS 44 -6.005 -13.693 4.586 343 2HG LYS 44 2HG LYS 44 -6.905 -14.143 6.036 344 1HD LYS 44 1HD LYS 44 -5.634 -16.001 5.610 345 2HD LYS 44 2HD LYS 44 -7.178 -16.472 4.869 346 1HE LYS 44 1HE LYS 44 -6.285 -15.948 2.650 347 2HE LYS 44 2HE LYS 44 -4.875 -15.158 3.361 348 1HZ LYS 44 1HZ LYS 44 -4.136 -17.290 4.191 349 2HZ LYS 44 2HZ LYS 44 -5.412 -18.054 3.539 350 3HZ LYS 44 3HZ LYS 44 -4.319 -17.318 2.550 351 H ASN 45 H ASN 45 -9.929 -10.480 4.560 352 HA ASN 45 HA ASN 45 -12.030 -11.470 2.788 353 1HB ASN 45 1HB ASN 45 -12.617 -10.208 4.894 354 2HB ASN 45 2HB ASN 45 -11.954 -8.741 4.148 355 1HD2 ASN 45 1HD2 ASN 45 -13.825 -7.496 3.351 356 2HD2 ASN 45 2HD2 ASN 45 -15.003 -8.285 2.306 357 H ARG 46 H ARG 46 -12.934 -10.070 1.133 358 HA ARG 46 HA ARG 46 -11.106 -9.550 -0.920 359 1HB ARG 46 1HB ARG 46 -13.850 -8.292 -1.036 360 2HB ARG 46 2HB ARG 46 -12.890 -9.013 -2.315 361 1HG ARG 46 1HG ARG 46 -13.358 -11.225 -1.346 362 2HG ARG 46 2HG ARG 46 -14.143 -10.470 -0.001 363 1HD ARG 46 1HD ARG 46 -15.384 -11.367 -2.209 364 2HD ARG 46 2HD ARG 46 -16.087 -10.329 -0.952 365 HE ARG 46 HE ARG 46 -15.053 -9.570 -3.660 366 1HH1 ARG 46 1HH1 ARG 46 -16.176 -7.776 -4.710 367 2HH1 ARG 46 2HH1 ARG 46 -17.314 -6.839 -3.783 368 1HH2 ARG 46 1HH2 ARG 46 -17.083 -8.680 -0.850 369 2HH2 ARG 46 2HH2 ARG 46 -18.169 -7.709 -1.793 370 H GLU 47 H GLU 47 -13.079 -7.242 0.929 371 HA GLU 47 HA GLU 47 -12.567 -5.013 -0.548 372 1HB GLU 47 1HB GLU 47 -13.287 -5.319 2.363 373 2HB GLU 47 2HB GLU 47 -13.285 -3.740 1.572 374 1HG GLU 47 1HG GLU 47 -15.132 -4.134 0.301 375 2HG GLU 47 2HG GLU 47 -14.756 -5.827 0.042 376 H THR 48 H THR 48 -10.393 -6.228 1.968 377 HA THR 48 HA THR 48 -8.730 -4.059 2.366 378 HB THR 48 HB THR 48 -7.959 -6.986 2.112 379 HG1 THR 48 HG1 THR 48 -8.787 -6.559 4.522 380 1HG2 THR 48 1HG2 THR 48 -7.059 -4.827 4.071 381 2HG2 THR 48 2HG2 THR 48 -6.553 -6.537 4.097 382 3HG2 THR 48 3HG2 THR 48 -6.100 -5.502 2.735 383 H GLY 49 H GLY 49 -8.605 -6.622 -0.152 384 1HA GLY 49 1HA GLY 49 -7.390 -6.806 -2.106 385 2HA GLY 49 2HA GLY 49 -6.232 -5.613 -1.488 386 H CYS 50 H CYS 50 -9.818 -5.405 -2.113 387 HA CYS 50 HA CYS 50 -9.814 -3.817 -4.339 388 1HB CYS 50 1HB CYS 50 -11.642 -3.389 -1.964 389 2HB CYS 50 2HB CYS 50 -11.927 -2.938 -3.614 390 H ALA 51 H ALA 51 -9.650 -2.603 -0.909 391 HA ALA 51 HA ALA 51 -9.362 0.124 -1.622 392 1HB ALA 51 1HB ALA 51 -8.388 0.418 0.695 393 2HB ALA 51 2HB ALA 51 -8.366 -1.348 0.869 394 3HB ALA 51 3HB ALA 51 -9.907 -0.481 0.691 395 H ILE 52 H ILE 52 -6.724 -2.344 -1.013 396 HA ILE 52 HA ILE 52 -4.578 -0.568 -1.464 397 HB ILE 52 HB ILE 52 -4.892 -3.556 -1.877 398 1HG1 ILE 52 1HG1 ILE 52 -3.534 -1.922 0.321 399 2HG1 ILE 52 2HG1 ILE 52 -5.142 -2.596 0.455 400 1HG2 ILE 52 1HG2 ILE 52 -2.964 -2.681 -3.271 401 2HG2 ILE 52 2HG2 ILE 52 -2.241 -2.049 -1.779 402 3HG2 ILE 52 3HG2 ILE 52 -2.483 -3.788 -2.000 403 1HD1 ILE 52 1HD1 ILE 52 -4.186 -4.894 0.145 404 2HD1 ILE 52 2HD1 ILE 52 -2.564 -4.161 0.255 405 3HD1 ILE 52 3HD1 ILE 52 -3.678 -4.052 1.625 406 H MET 53 H MET 53 -6.264 -2.681 -3.838 407 HA MET 53 HA MET 53 -4.773 -1.927 -6.104 408 1HB MET 53 1HB MET 53 -6.036 -3.992 -5.727 409 2HB MET 53 2HB MET 53 -7.515 -3.136 -5.648 410 1HG MET 53 1HG MET 53 -5.848 -2.916 -8.145 411 2HG MET 53 2HG MET 53 -6.621 -4.454 -7.791 412 1HE MET 53 1HE MET 53 -9.204 -4.573 -7.081 413 2HE MET 53 2HE MET 53 -9.520 -2.990 -6.324 414 3HE MET 53 3HE MET 53 -10.439 -3.479 -7.735 415 H CYS 54 H CYS 54 -7.737 -0.427 -4.744 416 HA CYS 54 HA CYS 54 -7.960 1.447 -7.007 417 1HB CYS 54 1HB CYS 54 -9.920 0.999 -5.797 418 2HB CYS 54 2HB CYS 54 -9.181 1.371 -4.236 419 H LEU 55 H LEU 55 -6.459 1.434 -3.741 420 HA LEU 55 HA LEU 55 -5.652 4.155 -3.890 421 1HB LEU 55 1HB LEU 55 -4.744 1.811 -2.193 422 2HB LEU 55 2HB LEU 55 -4.054 3.415 -2.006 423 HG LEU 55 HG LEU 55 -7.074 2.943 -1.861 424 1HD1 LEU 55 1HD1 LEU 55 -5.027 2.961 0.375 425 2HD1 LEU 55 2HD1 LEU 55 -6.782 3.059 0.594 426 3HD1 LEU 55 3HD1 LEU 55 -6.057 1.614 -0.116 427 1HD2 LEU 55 1HD2 LEU 55 -5.272 5.238 -1.073 428 2HD2 LEU 55 2HD2 LEU 55 -6.526 5.224 -2.326 429 3HD2 LEU 55 3HD2 LEU 55 -6.997 5.099 -0.628 430 H SER 56 H SER 56 -4.208 1.316 -5.378 431 HA SER 56 HA SER 56 -1.661 2.545 -5.758 432 1HB SER 56 1HB SER 56 -1.220 0.699 -7.222 433 2HB SER 56 2HB SER 56 -1.965 0.167 -5.737 434 HG SER 56 HG SER 56 -2.648 -0.722 -7.832 435 H THR 57 H THR 57 -4.619 3.554 -6.979 436 HA THR 57 HA THR 57 -3.188 5.093 -9.090 437 HB THR 57 HB THR 57 -4.694 3.449 -10.081 438 HG1 THR 57 HG1 THR 57 -4.440 5.062 -11.347 439 1HG2 THR 57 1HG2 THR 57 -6.891 4.871 -8.560 440 2HG2 THR 57 2HG2 THR 57 -7.176 3.925 -10.046 441 3HG2 THR 57 3HG2 THR 57 -6.501 3.135 -8.630 442 H LYS 58 H LYS 58 -3.509 5.470 -6.161 443 HA LYS 58 HA LYS 58 -4.664 8.229 -6.217 444 1HB LYS 58 1HB LYS 58 -4.920 6.129 -4.024 445 2HB LYS 58 2HB LYS 58 -5.414 7.789 -3.830 446 1HG LYS 58 1HG LYS 58 -6.637 6.439 -6.184 447 2HG LYS 58 2HG LYS 58 -7.139 5.825 -4.611 448 1HD LYS 58 1HD LYS 58 -7.862 7.964 -3.881 449 2HD LYS 58 2HD LYS 58 -7.270 8.702 -5.392 450 1HE LYS 58 1HE LYS 58 -9.221 6.367 -5.395 451 2HE LYS 58 2HE LYS 58 -9.760 8.030 -5.220 452 1HZ LYS 58 1HZ LYS 58 -8.593 8.526 -7.321 453 2HZ LYS 58 2HZ LYS 58 -8.262 6.936 -7.520 454 3HZ LYS 58 3HZ LYS 58 -9.837 7.449 -7.491 455 H LEU 59 H LEU 59 -1.768 7.117 -6.357 456 HA LEU 59 HA LEU 59 -0.431 7.562 -3.865 457 1HB LEU 59 1HB LEU 59 0.736 8.310 -6.571 458 2HB LEU 59 2HB LEU 59 1.594 7.751 -5.146 459 HG LEU 59 HG LEU 59 -0.241 6.093 -6.927 460 1HD1 LEU 59 1HD1 LEU 59 1.952 6.800 -7.952 461 2HD1 LEU 59 2HD1 LEU 59 2.777 5.886 -6.685 462 3HD1 LEU 59 3HD1 LEU 59 1.699 5.048 -7.827 463 1HD2 LEU 59 1HD2 LEU 59 -0.222 5.253 -4.579 464 2HD2 LEU 59 2HD2 LEU 59 0.551 4.150 -5.732 465 3HD2 LEU 59 3HD2 LEU 59 1.563 5.149 -4.660 466 H ASN 60 H ASN 60 -1.409 9.725 -6.445 467 HA ASN 60 HA ASN 60 -0.268 12.193 -5.658 468 1HB ASN 60 1HB ASN 60 -1.995 13.135 -7.126 469 2HB ASN 60 2HB ASN 60 -1.289 11.711 -7.865 470 1HD2 ASN 60 1HD2 ASN 60 -4.185 13.129 -7.778 471 2HD2 ASN 60 2HD2 ASN 60 -5.160 11.686 -7.819 472 H MET 61 H MET 61 -2.905 10.434 -4.188 473 HA MET 61 HA MET 61 -3.997 12.800 -2.783 474 1HB MET 61 1HB MET 61 -4.626 9.836 -2.436 475 2HB MET 61 2HB MET 61 -5.525 11.187 -1.768 476 1HG MET 61 1HG MET 61 -5.216 10.624 -4.759 477 2HG MET 61 2HG MET 61 -6.549 10.051 -3.756 478 1HE MET 61 1HE MET 61 -8.216 11.275 -2.619 479 2HE MET 61 2HE MET 61 -7.350 12.637 -1.861 480 3HE MET 61 3HE MET 61 -8.725 12.941 -2.940 481 H LEU 62 H LEU 62 -1.975 9.880 -2.319 482 HA LEU 62 HA LEU 62 -2.122 9.861 0.557 483 1HB LEU 62 1HB LEU 62 -0.386 8.318 -1.413 484 2HB LEU 62 2HB LEU 62 -0.624 7.904 0.273 485 HG LEU 62 HG LEU 62 -2.886 8.059 -1.713 486 1HD1 LEU 62 1HD1 LEU 62 -1.374 5.583 -0.883 487 2HD1 LEU 62 2HD1 LEU 62 -2.866 5.626 -1.871 488 3HD1 LEU 62 3HD1 LEU 62 -1.371 6.337 -2.485 489 1HD2 LEU 62 1HD2 LEU 62 -2.582 6.970 1.081 490 2HD2 LEU 62 2HD2 LEU 62 -3.668 8.261 0.507 491 3HD2 LEU 62 3HD2 LEU 62 -3.966 6.583 0.035 492 H ASP 63 H ASP 63 0.400 10.445 -1.889 493 HA ASP 63 HA ASP 63 2.282 11.410 0.018 494 1HB ASP 63 1HB ASP 63 3.503 10.494 -1.297 495 2HB ASP 63 2HB ASP 63 2.280 9.924 -2.383 496 HA PRO 64 HA PRO 64 0.604 15.473 -0.963 497 1HB PRO 64 1HB PRO 64 1.834 16.856 1.143 498 2HB PRO 64 2HB PRO 64 0.290 15.951 1.334 499 1HG PRO 64 1HG PRO 64 3.104 15.032 1.952 500 2HG PRO 64 2HG PRO 64 1.637 14.871 2.979 501 1HD PRO 64 1HD PRO 64 2.472 12.815 1.481 502 2HD PRO 64 2HD PRO 64 0.740 13.201 1.578 503 H GLU 65 H GLU 65 3.949 14.553 -0.336 504 HA GLU 65 HA GLU 65 5.028 16.885 -1.674 505 1HB GLU 65 1HB GLU 65 6.364 14.172 -1.541 506 2HB GLU 65 2HB GLU 65 7.089 15.730 -1.898 507 1HG GLU 65 1HG GLU 65 6.710 16.515 0.371 508 2HG GLU 65 2HG GLU 65 5.861 15.003 0.753 509 H GLY 66 H GLY 66 3.523 13.777 -2.850 510 1HA GLY 66 1HA GLY 66 3.368 15.051 -5.457 511 2HA GLY 66 2HA GLY 66 2.676 13.506 -4.993 512 H ASN 67 H ASN 67 5.512 13.025 -3.867 513 HA ASN 67 HA ASN 67 7.439 12.985 -6.110 514 1HB ASN 67 1HB ASN 67 7.442 12.477 -3.102 515 2HB ASN 67 2HB ASN 67 8.726 11.772 -4.051 516 1HD2 ASN 67 1HD2 ASN 67 7.069 15.002 -4.367 517 2HD2 ASN 67 2HD2 ASN 67 8.528 15.897 -4.076 518 H LEU 68 H LEU 68 5.154 10.794 -4.644 519 HA LEU 68 HA LEU 68 6.681 8.376 -5.320 520 1HB LEU 68 1HB LEU 68 5.479 8.597 -3.163 521 2HB LEU 68 2HB LEU 68 3.967 8.858 -4.035 522 HG LEU 68 HG LEU 68 4.132 6.573 -5.011 523 1HD1 LEU 68 1HD1 LEU 68 6.586 6.350 -3.209 524 2HD1 LEU 68 2HD1 LEU 68 5.737 4.962 -3.914 525 3HD1 LEU 68 3HD1 LEU 68 6.522 6.141 -4.973 526 1HD2 LEU 68 1HD2 LEU 68 2.888 7.121 -2.935 527 2HD2 LEU 68 2HD2 LEU 68 3.502 5.453 -2.981 528 3HD2 LEU 68 3HD2 LEU 68 4.331 6.681 -1.970 529 H HIS 69 H HIS 69 6.715 8.248 -7.573 530 HA HIS 69 HA HIS 69 4.201 8.557 -9.108 531 1HB HIS 69 1HB HIS 69 7.007 7.899 -9.917 532 2HB HIS 69 2HB HIS 69 5.748 8.090 -11.076 533 HD1 HIS 69 HD1 HIS 69 8.222 9.862 -11.415 534 HD2 HIS 69 HD2 HIS 69 4.931 10.953 -9.020 535 HE1 HIS 69 HE1 HIS 69 8.334 12.395 -11.123 536 H HIS 70 H HIS 70 3.810 6.812 -10.688 537 HA HIS 70 HA HIS 70 3.828 4.179 -9.356 538 1HB HIS 70 1HB HIS 70 1.856 5.050 -10.672 539 2HB HIS 70 2HB HIS 70 2.805 4.846 -12.132 540 HD1 HIS 70 HD1 HIS 70 3.567 2.026 -12.608 541 HD2 HIS 70 HD2 HIS 70 0.668 2.977 -9.669 542 HE1 HIS 70 HE1 HIS 70 2.323 -0.076 -12.114 543 H GLY 71 H GLY 71 5.226 2.546 -9.898 544 1HA GLY 71 1HA GLY 71 6.701 2.290 -12.303 545 2HA GLY 71 2HA GLY 71 6.956 1.408 -10.799 546 H ASN 72 H ASN 72 7.261 4.600 -9.865 547 HA ASN 72 HA ASN 72 10.208 4.542 -10.174 548 1HB ASN 72 1HB ASN 72 9.097 6.003 -12.030 549 2HB ASN 72 2HB ASN 72 8.687 7.094 -10.765 550 1HD2 ASN 72 1HD2 ASN 72 10.435 7.735 -12.833 551 2HD2 ASN 72 2HD2 ASN 72 12.057 8.026 -12.163 552 H ALA 73 H ALA 73 9.970 3.826 -7.964 553 HA ALA 73 HA ALA 73 9.165 6.010 -6.104 554 1HB ALA 73 1HB ALA 73 7.567 4.124 -6.074 555 2HB ALA 73 2HB ALA 73 8.424 4.361 -4.528 556 3HB ALA 73 3HB ALA 73 8.914 3.048 -5.602 557 H MET 74 H MET 74 11.888 5.888 -7.114 558 HA MET 74 HA MET 74 13.336 4.683 -4.868 559 1HB MET 74 1HB MET 74 14.159 6.255 -7.382 560 2HB MET 74 2HB MET 74 15.296 5.606 -6.214 561 1HG MET 74 1HG MET 74 13.309 3.922 -7.784 562 2HG MET 74 2HG MET 74 14.989 4.174 -8.243 563 1HE MET 74 1HE MET 74 14.183 1.333 -8.224 564 2HE MET 74 2HE MET 74 14.186 0.416 -6.712 565 3HE MET 74 3HE MET 74 12.845 1.527 -7.068 566 H GLU 75 H GLU 75 12.534 8.018 -6.089 567 HA GLU 75 HA GLU 75 14.394 9.141 -4.225 568 1HB GLU 75 1HB GLU 75 12.284 10.347 -6.045 569 2HB GLU 75 2HB GLU 75 13.262 11.320 -4.934 570 1HG GLU 75 1HG GLU 75 15.344 10.330 -5.926 571 2HG GLU 75 2HG GLU 75 14.343 9.472 -7.103 572 H PHE 76 H PHE 76 10.800 8.768 -4.021 573 HA PHE 76 HA PHE 76 10.743 10.123 -1.462 574 1HB PHE 76 1HB PHE 76 8.735 10.155 -2.350 575 2HB PHE 76 2HB PHE 76 8.757 8.662 -3.123 576 HD1 PHE 76 HD1 PHE 76 8.519 6.464 -1.531 577 HD2 PHE 76 HD2 PHE 76 7.350 10.486 -0.495 578 HE1 PHE 76 HE1 PHE 76 6.892 5.558 0.073 579 HE2 PHE 76 HE2 PHE 76 5.840 9.560 1.262 580 HZ PHE 76 HZ PHE 76 5.651 7.041 1.539 581 H ALA 77 H ALA 77 11.114 6.706 -2.413 582 HA ALA 77 HA ALA 77 11.274 5.639 0.204 583 1HB ALA 77 1HB ALA 77 12.775 4.741 -2.293 584 2HB ALA 77 2HB ALA 77 12.572 3.790 -0.822 585 3HB ALA 77 3HB ALA 77 11.151 4.214 -1.787 586 H LYS 78 H LYS 78 13.978 6.933 -1.777 587 HA LYS 78 HA LYS 78 16.088 6.498 -0.029 588 1HB LYS 78 1HB LYS 78 15.477 8.430 -2.209 589 2HB LYS 78 2HB LYS 78 16.675 8.976 -1.064 590 1HG LYS 78 1HG LYS 78 17.939 6.816 -1.387 591 2HG LYS 78 2HG LYS 78 16.856 6.461 -2.749 592 1HD LYS 78 1HD LYS 78 18.507 9.022 -2.444 593 2HD LYS 78 2HD LYS 78 19.041 7.619 -3.375 594 1HE LYS 78 1HE LYS 78 17.282 7.828 -4.955 595 2HE LYS 78 2HE LYS 78 16.369 8.950 -3.945 596 1HZ LYS 78 1HZ LYS 78 19.022 9.675 -4.957 597 2HZ LYS 78 2HZ LYS 78 17.669 9.937 -5.855 598 3HZ LYS 78 3HZ LYS 78 17.864 10.669 -4.389 599 H LYS 79 H LYS 79 13.680 9.105 0.158 600 HA LYS 79 HA LYS 79 15.034 10.678 2.121 601 1HB LYS 79 1HB LYS 79 12.071 10.352 1.630 602 2HB LYS 79 2HB LYS 79 12.815 11.567 2.672 603 1HG LYS 79 1HG LYS 79 14.271 12.267 0.690 604 2HG LYS 79 2HG LYS 79 13.226 11.298 -0.342 605 1HD LYS 79 1HD LYS 79 12.213 13.492 1.476 606 2HD LYS 79 2HD LYS 79 12.776 13.789 -0.164 607 1HE LYS 79 1HE LYS 79 10.405 13.656 -0.249 608 2HE LYS 79 2HE LYS 79 11.066 12.252 -1.093 609 1HZ LYS 79 1HZ LYS 79 10.260 12.124 1.731 610 2HZ LYS 79 2HZ LYS 79 9.138 12.093 0.582 611 3HZ LYS 79 3HZ LYS 79 10.296 10.871 0.652 612 H HIS 80 H HIS 80 13.114 7.677 2.482 613 HA HIS 80 HA HIS 80 13.089 8.007 5.388 614 1HB HIS 80 1HB HIS 80 12.142 5.733 3.666 615 2HB HIS 80 2HB HIS 80 11.738 6.016 5.368 616 HD1 HIS 80 HD1 HIS 80 9.985 6.361 2.287 617 HD2 HIS 80 HD2 HIS 80 11.039 9.139 5.262 618 HE1 HIS 80 HE1 HIS 80 8.455 8.341 1.992 619 H GLY 81 H GLY 81 15.334 7.095 3.172 620 1HA GLY 81 1HA GLY 81 17.008 5.649 5.134 621 2HA GLY 81 2HA GLY 81 17.496 6.388 3.598 622 H ALA 82 H ALA 82 14.969 4.929 2.405 623 HA ALA 82 HA ALA 82 16.170 2.223 2.178 624 1HB ALA 82 1HB ALA 82 13.496 3.237 1.171 625 2HB ALA 82 2HB ALA 82 14.152 1.585 1.057 626 3HB ALA 82 3HB ALA 82 13.751 2.270 2.637 627 H ASP 83 H ASP 83 17.840 2.304 0.767 628 HA ASP 83 HA ASP 83 17.989 4.333 -1.343 629 1HB ASP 83 1HB ASP 83 20.191 3.115 -1.801 630 2HB ASP 83 2HB ASP 83 20.032 3.841 -0.244 631 H GLU 84 H GLU 84 19.209 2.996 -3.361 632 HA GLU 84 HA GLU 84 17.048 2.071 -4.906 633 1HB GLU 84 1HB GLU 84 18.645 3.037 -6.206 634 2HB GLU 84 2HB GLU 84 19.959 2.599 -5.107 635 1HG GLU 84 1HG GLU 84 20.127 0.426 -5.918 636 2HG GLU 84 2HG GLU 84 18.704 0.610 -6.990 637 H THR 85 H THR 85 19.566 0.302 -3.052 638 HA THR 85 HA THR 85 18.806 -2.245 -4.306 639 HB THR 85 HB THR 85 20.621 -1.614 -1.946 640 HG1 THR 85 HG1 THR 85 20.848 -1.055 -4.446 641 1HG2 THR 85 1HG2 THR 85 20.406 -4.124 -3.661 642 2HG2 THR 85 2HG2 THR 85 21.636 -3.810 -2.420 643 3HG2 THR 85 3HG2 THR 85 19.943 -4.001 -1.951 644 H MET 86 H MET 86 18.195 -0.619 -1.093 645 HA MET 86 HA MET 86 16.558 -2.655 0.023 646 1HB MET 86 1HB MET 86 16.635 0.420 0.165 647 2HB MET 86 2HB MET 86 15.660 -0.551 1.218 648 1HG MET 86 1HG MET 86 17.875 -1.785 1.785 649 2HG MET 86 2HG MET 86 18.658 -0.399 1.067 650 1HE MET 86 1HE MET 86 19.989 0.123 3.101 651 2HE MET 86 2HE MET 86 19.363 0.484 4.724 652 3HE MET 86 3HE MET 86 19.289 -1.182 4.099 653 H ALA 87 H ALA 87 15.749 0.082 -2.205 654 HA ALA 87 HA ALA 87 12.983 -0.670 -2.426 655 1HB ALA 87 1HB ALA 87 14.796 0.659 -4.465 656 2HB ALA 87 2HB ALA 87 13.010 0.627 -4.492 657 3HB ALA 87 3HB ALA 87 13.868 1.508 -3.215 658 H GLN 88 H GLN 88 15.840 -1.613 -4.501 659 HA GLN 88 HA GLN 88 14.395 -3.131 -6.278 660 1HB GLN 88 1HB GLN 88 16.942 -2.384 -6.161 661 2HB GLN 88 2HB GLN 88 17.182 -3.939 -5.404 662 1HG GLN 88 1HG GLN 88 17.620 -4.287 -7.683 663 2HG GLN 88 2HG GLN 88 15.951 -4.857 -7.558 664 1HE2 GLN 88 1HE2 GLN 88 14.298 -3.594 -8.682 665 2HE2 GLN 88 2HE2 GLN 88 14.618 -2.059 -9.472 666 H GLN 89 H GLN 89 15.689 -4.143 -3.188 667 HA GLN 89 HA GLN 89 15.088 -6.907 -3.143 668 1HB GLN 89 1HB GLN 89 15.227 -4.675 -1.105 669 2HB GLN 89 2HB GLN 89 14.644 -6.193 -0.556 670 1HG GLN 89 1HG GLN 89 17.326 -5.811 -1.932 671 2HG GLN 89 2HG GLN 89 17.080 -5.726 -0.192 672 1HE2 GLN 89 1HE2 GLN 89 18.556 -7.462 0.107 673 2HE2 GLN 89 2HE2 GLN 89 18.282 -9.084 -0.510 674 H LEU 90 H LEU 90 12.987 -4.108 -2.270 675 HA LEU 90 HA LEU 90 10.676 -5.777 -1.755 676 1HB LEU 90 1HB LEU 90 10.857 -2.792 -2.246 677 2HB LEU 90 2HB LEU 90 9.471 -3.638 -1.652 678 HG LEU 90 HG LEU 90 12.158 -3.461 -0.212 679 1HD1 LEU 90 1HD1 LEU 90 9.603 -1.847 0.170 680 2HD1 LEU 90 2HD1 LEU 90 11.007 -1.811 1.270 681 3HD1 LEU 90 3HD1 LEU 90 11.178 -1.274 -0.390 682 1HD2 LEU 90 1HD2 LEU 90 10.628 -5.427 0.426 683 2HD2 LEU 90 2HD2 LEU 90 11.214 -4.387 1.718 684 3HD2 LEU 90 3HD2 LEU 90 9.561 -4.173 1.145 685 H ILE 91 H ILE 91 11.794 -3.846 -4.518 686 HA ILE 91 HA ILE 91 9.534 -4.081 -6.163 687 HB ILE 91 HB ILE 91 12.346 -4.227 -7.237 688 1HG1 ILE 91 1HG1 ILE 91 12.685 -2.235 -6.295 689 2HG1 ILE 91 2HG1 ILE 91 11.937 -1.676 -7.751 690 1HG2 ILE 91 1HG2 ILE 91 10.359 -4.653 -8.831 691 2HG2 ILE 91 2HG2 ILE 91 9.988 -2.940 -8.650 692 3HG2 ILE 91 3HG2 ILE 91 11.550 -3.441 -9.312 693 1HD1 ILE 91 1HD1 ILE 91 9.815 -1.554 -6.334 694 2HD1 ILE 91 2HD1 ILE 91 10.876 -1.858 -4.943 695 3HD1 ILE 91 3HD1 ILE 91 11.149 -0.420 -5.933 696 H ASP 92 H ASP 92 12.301 -6.378 -5.831 697 HA ASP 92 HA ASP 92 11.320 -8.265 -7.772 698 1HB ASP 92 1HB ASP 92 13.616 -8.114 -6.250 699 2HB ASP 92 2HB ASP 92 12.813 -9.452 -5.479 700 H ILE 93 H ILE 93 10.993 -8.115 -4.237 701 HA ILE 93 HA ILE 93 9.259 -10.286 -3.856 702 HB ILE 93 HB ILE 93 9.483 -7.625 -2.348 703 1HG1 ILE 93 1HG1 ILE 93 10.411 -10.447 -1.753 704 2HG1 ILE 93 2HG1 ILE 93 11.452 -9.237 -2.435 705 1HG2 ILE 93 1HG2 ILE 93 7.756 -10.007 -1.748 706 2HG2 ILE 93 2HG2 ILE 93 8.248 -8.797 -0.533 707 3HG2 ILE 93 3HG2 ILE 93 7.279 -8.322 -1.919 708 1HD1 ILE 93 1HD1 ILE 93 10.173 -9.001 0.307 709 2HD1 ILE 93 2HD1 ILE 93 11.852 -9.422 -0.042 710 3HD1 ILE 93 3HD1 ILE 93 11.241 -7.808 -0.459 711 H VAL 94 H VAL 94 8.276 -6.905 -4.747 712 HA VAL 94 HA VAL 94 5.525 -7.275 -4.502 713 HB VAL 94 HB VAL 94 7.248 -5.514 -6.262 714 1HG1 VAL 94 1HG1 VAL 94 4.328 -5.935 -6.783 715 2HG1 VAL 94 2HG1 VAL 94 4.877 -4.264 -6.645 716 3HG1 VAL 94 3HG1 VAL 94 5.625 -5.324 -7.816 717 1HG2 VAL 94 1HG2 VAL 94 6.939 -5.045 -3.849 718 2HG2 VAL 94 2HG2 VAL 94 6.338 -3.765 -4.909 719 3HG2 VAL 94 3HG2 VAL 94 5.189 -4.884 -4.128 720 H HIS 95 H HIS 95 7.656 -7.995 -7.210 721 HA HIS 95 HA HIS 95 5.623 -8.982 -9.002 722 1HB HIS 95 1HB HIS 95 8.670 -9.184 -8.861 723 2HB HIS 95 2HB HIS 95 7.704 -9.672 -10.225 724 HD1 HIS 95 HD1 HIS 95 9.884 -7.363 -10.390 725 HD2 HIS 95 HD2 HIS 95 5.808 -6.721 -9.555 726 HE1 HIS 95 HE1 HIS 95 9.366 -4.954 -11.059 727 H GLY 96 H GLY 96 8.050 -10.414 -6.856 728 1HA GLY 96 1HA GLY 96 8.157 -12.430 -5.781 729 2HA GLY 96 2HA GLY 96 7.663 -13.157 -7.340 730 H CYS 97 H CYS 97 5.659 -10.911 -5.649 731 HA CYS 97 HA CYS 97 3.980 -13.005 -4.435 732 1HB CYS 97 1HB CYS 97 4.121 -9.991 -4.173 733 2HB CYS 97 2HB CYS 97 2.845 -10.960 -3.445 734 H GLU 98 H GLU 98 3.763 -10.483 -7.004 735 HA GLU 98 HA GLU 98 1.078 -10.863 -7.765 736 1HB GLU 98 1HB GLU 98 3.553 -10.425 -9.421 737 2HB GLU 98 2HB GLU 98 1.974 -10.467 -10.119 738 1HG GLU 98 1HG GLU 98 1.295 -8.523 -8.730 739 2HG GLU 98 2HG GLU 98 2.905 -8.467 -8.040 740 H LYS 99 H LYS 99 3.990 -12.743 -8.337 741 HA LYS 99 HA LYS 99 2.735 -14.709 -10.094 742 1HB LYS 99 1HB LYS 99 5.483 -14.166 -8.975 743 2HB LYS 99 2HB LYS 99 5.168 -15.683 -9.808 744 1HG LYS 99 1HG LYS 99 5.211 -14.797 -11.850 745 2HG LYS 99 2HG LYS 99 4.179 -13.433 -11.414 746 1HD LYS 99 1HD LYS 99 6.421 -12.806 -12.268 747 2HD LYS 99 2HD LYS 99 6.059 -12.150 -10.681 748 1HE LYS 99 1HE LYS 99 7.367 -14.037 -9.624 749 2HE LYS 99 2HE LYS 99 7.721 -14.634 -11.242 750 1HZ LYS 99 1HZ LYS 99 8.795 -12.423 -11.622 751 2HZ LYS 99 2HZ LYS 99 8.667 -12.117 -10.003 752 3HZ LYS 99 3HZ LYS 99 9.548 -13.385 -10.535 753 H SER 100 H SER 100 3.759 -14.712 -6.586 754 HA SER 100 HA SER 100 3.425 -17.565 -6.373 755 1HB SER 100 1HB SER 100 3.349 -17.225 -4.012 756 2HB SER 100 2HB SER 100 4.609 -16.191 -4.688 757 HG SER 100 HG SER 100 2.069 -15.462 -3.636 758 H THR 101 H THR 101 1.296 -14.777 -6.265 759 HA THR 101 HA THR 101 -0.950 -16.153 -5.149 760 HB THR 101 HB THR 101 -0.806 -13.496 -6.634 761 HG1 THR 101 HG1 THR 101 0.523 -13.233 -5.021 762 1HG2 THR 101 1HG2 THR 101 -3.148 -14.242 -6.252 763 2HG2 THR 101 2HG2 THR 101 -2.794 -14.451 -4.525 764 3HG2 THR 101 3HG2 THR 101 -2.728 -12.844 -5.260 765 HA PRO 102 HA PRO 102 -2.382 -17.883 -9.064 766 1HB PRO 102 1HB PRO 102 -4.946 -18.529 -8.428 767 2HB PRO 102 2HB PRO 102 -3.538 -19.485 -7.867 768 1HG PRO 102 1HG PRO 102 -5.091 -17.388 -6.334 769 2HG PRO 102 2HG PRO 102 -4.506 -18.978 -5.760 770 1HD PRO 102 1HD PRO 102 -3.201 -16.624 -5.268 771 2HD PRO 102 2HD PRO 102 -2.330 -18.168 -5.462 772 H ALA 103 H ALA 103 -3.190 -16.836 -10.782 773 HA ALA 103 HA ALA 103 -3.994 -14.093 -10.653 774 1HB ALA 103 1HB ALA 103 -4.062 -16.078 -12.974 775 2HB ALA 103 2HB ALA 103 -2.706 -15.003 -12.535 776 3HB ALA 103 3HB ALA 103 -4.244 -14.317 -13.095 777 H ASN 104 H ASN 104 -5.783 -13.933 -9.432 778 HA ASN 104 HA ASN 104 -8.272 -15.387 -9.877 779 1HB ASN 104 1HB ASN 104 -7.447 -14.194 -7.721 780 2HB ASN 104 2HB ASN 104 -8.015 -12.716 -8.453 781 1HD2 ASN 104 1HD2 ASN 104 -8.891 -14.919 -6.231 782 2HD2 ASN 104 2HD2 ASN 104 -10.646 -14.763 -6.427 783 H ASP 105 H ASP 105 -10.067 -14.662 -11.008 784 HA ASP 105 HA ASP 105 -10.222 -12.827 -13.066 785 1HB ASP 105 1HB ASP 105 -12.058 -14.173 -12.966 786 2HB ASP 105 2HB ASP 105 -12.022 -14.299 -11.222 787 H ASP 106 H ASP 106 -10.643 -12.396 -9.464 788 HA ASP 106 HA ASP 106 -11.557 -9.642 -9.900 789 1HB ASP 106 1HB ASP 106 -12.564 -11.199 -8.167 790 2HB ASP 106 2HB ASP 106 -11.014 -11.285 -7.409 791 H LYS 107 H LYS 107 -9.985 -8.017 -10.147 792 HA LYS 107 HA LYS 107 -7.292 -8.409 -9.387 793 1HB LYS 107 1HB LYS 107 -8.642 -6.451 -10.833 794 2HB LYS 107 2HB LYS 107 -8.262 -5.571 -9.376 795 1HG LYS 107 1HG LYS 107 -6.319 -5.254 -10.627 796 2HG LYS 107 2HG LYS 107 -5.875 -6.604 -9.577 797 1HD LYS 107 1HD LYS 107 -5.416 -7.803 -11.435 798 2HD LYS 107 2HD LYS 107 -7.129 -7.880 -11.761 799 1HE LYS 107 1HE LYS 107 -6.473 -6.918 -13.736 800 2HE LYS 107 2HE LYS 107 -6.821 -5.476 -12.745 801 1HZ LYS 107 1HZ LYS 107 -4.125 -6.673 -13.127 802 2HZ LYS 107 2HZ LYS 107 -4.688 -5.349 -13.933 803 3HZ LYS 107 3HZ LYS 107 -4.456 -5.279 -12.314 804 H CYS 108 H CYS 108 -10.059 -7.365 -7.524 805 HA CYS 108 HA CYS 108 -8.598 -6.173 -5.325 806 1HB CYS 108 1HB CYS 108 -10.782 -5.607 -5.413 807 2HB CYS 108 2HB CYS 108 -11.387 -7.192 -5.772 808 H ILE 109 H ILE 109 -10.319 -9.288 -5.321 809 HA ILE 109 HA ILE 109 -8.919 -10.400 -3.156 810 HB ILE 109 HB ILE 109 -10.331 -11.770 -5.527 811 1HG1 ILE 109 1HG1 ILE 109 -11.040 -11.172 -2.579 812 2HG1 ILE 109 2HG1 ILE 109 -11.684 -10.340 -3.950 813 1HG2 ILE 109 1HG2 ILE 109 -9.303 -13.010 -2.913 814 2HG2 ILE 109 2HG2 ILE 109 -10.309 -13.833 -4.125 815 3HG2 ILE 109 3HG2 ILE 109 -8.671 -13.346 -4.547 816 1HD1 ILE 109 1HD1 ILE 109 -12.567 -12.640 -4.732 817 2HD1 ILE 109 2HD1 ILE 109 -12.251 -13.159 -3.056 818 3HD1 ILE 109 3HD1 ILE 109 -13.359 -11.817 -3.372 819 H TRP 110 H TRP 110 -7.857 -10.457 -6.563 820 HA TRP 110 HA TRP 110 -5.535 -12.070 -6.115 821 1HB TRP 110 1HB TRP 110 -6.274 -11.502 -8.359 822 2HB TRP 110 2HB TRP 110 -6.036 -9.805 -8.086 823 HD1 TRP 110 HD1 TRP 110 -4.033 -13.062 -8.203 824 HE1 TRP 110 HE1 TRP 110 -1.649 -12.610 -9.149 825 HE3 TRP 110 HE3 TRP 110 -4.269 -7.977 -8.558 826 HZ2 TRP 110 HZ2 TRP 110 -0.133 -10.309 -10.098 827 HZ3 TRP 110 HZ3 TRP 110 -2.393 -6.691 -9.578 828 HH2 TRP 110 HH2 TRP 110 -0.370 -7.853 -10.365 829 H THR 111 H THR 111 -5.808 -8.462 -6.097 830 HA THR 111 HA THR 111 -3.213 -7.970 -5.241 831 HB THR 111 HB THR 111 -5.764 -6.368 -4.915 832 HG1 THR 111 HG1 THR 111 -5.470 -6.640 -6.972 833 1HG2 THR 111 1HG2 THR 111 -2.873 -5.529 -4.573 834 2HG2 THR 111 2HG2 THR 111 -4.128 -4.370 -5.027 835 3HG2 THR 111 3HG2 THR 111 -4.257 -5.233 -3.487 836 H LEU 112 H LEU 112 -6.024 -8.915 -3.181 837 HA LEU 112 HA LEU 112 -4.761 -8.088 -0.753 838 1HB LEU 112 1HB LEU 112 -7.191 -8.513 -0.958 839 2HB LEU 112 2HB LEU 112 -6.904 -10.179 -1.366 840 HG LEU 112 HG LEU 112 -7.628 -9.575 0.994 841 1HD1 LEU 112 1HD1 LEU 112 -6.803 -11.752 0.285 842 2HD1 LEU 112 2HD1 LEU 112 -5.162 -11.305 0.738 843 3HD1 LEU 112 3HD1 LEU 112 -6.390 -11.383 1.979 844 1HD2 LEU 112 1HD2 LEU 112 -6.007 -7.671 1.295 845 2HD2 LEU 112 2HD2 LEU 112 -6.085 -8.823 2.635 846 3HD2 LEU 112 3HD2 LEU 112 -4.729 -8.858 1.507 847 H GLY 113 H GLY 113 -4.991 -11.185 -2.581 848 1HA GLY 113 1HA GLY 113 -3.521 -12.952 -2.720 849 2HA GLY 113 2HA GLY 113 -3.370 -12.821 -0.958 850 H VAL 114 H VAL 114 -2.363 -10.744 -3.729 851 HA VAL 114 HA VAL 114 0.401 -11.166 -3.578 852 HB VAL 114 HB VAL 114 -1.166 -8.755 -4.535 853 1HG1 VAL 114 1HG1 VAL 114 1.727 -9.582 -5.015 854 2HG1 VAL 114 2HG1 VAL 114 0.870 -8.368 -5.971 855 3HG1 VAL 114 3HG1 VAL 114 1.126 -8.101 -4.244 856 1HG2 VAL 114 1HG2 VAL 114 -0.123 -11.236 -5.968 857 2HG2 VAL 114 2HG2 VAL 114 -1.812 -10.776 -5.772 858 3HG2 VAL 114 3HG2 VAL 114 -0.770 -9.810 -6.790 859 H ALA 115 H ALA 115 -1.472 -8.411 -2.066 860 HA ALA 115 HA ALA 115 0.744 -7.266 -0.768 861 1HB ALA 115 1HB ALA 115 -1.465 -6.167 -1.034 862 2HB ALA 115 2HB ALA 115 -0.926 -6.147 0.657 863 3HB ALA 115 3HB ALA 115 -2.176 -7.301 0.136 864 H THR 116 H THR 116 -1.378 -9.868 0.339 865 HA THR 116 HA THR 116 -0.277 -10.000 3.021 866 HB THR 116 HB THR 116 -1.838 -12.105 1.477 867 HG1 THR 116 HG1 THR 116 -2.986 -10.250 1.329 868 1HG2 THR 116 1HG2 THR 116 -1.726 -11.412 4.453 869 2HG2 THR 116 2HG2 THR 116 -2.788 -12.630 3.708 870 3HG2 THR 116 3HG2 THR 116 -1.034 -12.849 3.690 871 H CYS 117 H CYS 117 0.783 -11.177 -0.089 872 HA CYS 117 HA CYS 117 2.808 -12.970 1.063 873 1HB CYS 117 1HB CYS 117 2.025 -13.641 -1.025 874 2HB CYS 117 2HB CYS 117 2.149 -12.047 -1.721 875 H PHE 118 H PHE 118 2.744 -9.511 -0.351 876 HA PHE 118 HA PHE 118 5.485 -9.226 -0.209 877 1HB PHE 118 1HB PHE 118 3.904 -7.689 -1.312 878 2HB PHE 118 2HB PHE 118 3.304 -7.143 0.249 879 HD1 PHE 118 HD1 PHE 118 6.822 -7.588 0.473 880 HD2 PHE 118 HD2 PHE 118 3.923 -4.938 -1.149 881 HE1 PHE 118 HE1 PHE 118 8.516 -5.859 0.319 882 HE2 PHE 118 HE2 PHE 118 5.590 -3.045 -1.031 883 HZ PHE 118 HZ PHE 118 7.851 -3.495 -0.298 884 H LYS 119 H LYS 119 3.221 -8.157 2.186 885 HA LYS 119 HA LYS 119 4.561 -7.437 4.402 886 1HB LYS 119 1HB LYS 119 2.007 -8.096 3.854 887 2HB LYS 119 2HB LYS 119 2.356 -9.488 4.786 888 1HG LYS 119 1HG LYS 119 2.631 -6.593 5.758 889 2HG LYS 119 2HG LYS 119 1.239 -7.638 6.012 890 1HD LYS 119 1HD LYS 119 2.217 -7.967 8.016 891 2HD LYS 119 2HD LYS 119 3.051 -9.245 7.129 892 1HE LYS 119 1HE LYS 119 4.958 -7.673 6.729 893 2HE LYS 119 2HE LYS 119 4.109 -6.406 7.614 894 1HZ LYS 119 1HZ LYS 119 4.548 -8.936 8.997 895 2HZ LYS 119 2HZ LYS 119 5.858 -7.990 8.722 896 3HZ LYS 119 3HZ LYS 119 4.619 -7.381 9.583 897 H ALA 120 H ALA 120 3.837 -10.831 3.720 898 HA ALA 120 HA ALA 120 5.405 -11.935 5.873 899 1HB ALA 120 1HB ALA 120 5.150 -14.088 4.708 900 2HB ALA 120 2HB ALA 120 3.605 -13.213 4.764 901 3HB ALA 120 3HB ALA 120 4.552 -13.261 3.255 902 H GLU 121 H GLU 121 6.283 -11.432 2.370 903 HA GLU 121 HA GLU 121 8.880 -12.570 2.550 904 1HB GLU 121 1HB GLU 121 7.642 -10.422 0.818 905 2HB GLU 121 2HB GLU 121 9.330 -10.857 0.655 906 1HG GLU 121 1HG GLU 121 7.109 -12.907 0.384 907 2HG GLU 121 2HG GLU 121 7.779 -11.921 -0.930 908 H ILE 122 H ILE 122 7.807 -9.150 3.270 909 HA ILE 122 HA ILE 122 10.388 -8.215 3.795 910 HB ILE 122 HB ILE 122 7.773 -7.435 5.111 911 1HG1 ILE 122 1HG1 ILE 122 9.281 -6.272 2.786 912 2HG1 ILE 122 2HG1 ILE 122 7.757 -7.126 2.742 913 1HG2 ILE 122 1HG2 ILE 122 10.462 -6.019 5.255 914 2HG2 ILE 122 2HG2 ILE 122 8.915 -5.362 5.850 915 3HG2 ILE 122 3HG2 ILE 122 9.591 -6.771 6.613 916 1HD1 ILE 122 1HD1 ILE 122 6.699 -5.374 4.171 917 2HD1 ILE 122 2HD1 ILE 122 8.179 -4.398 3.990 918 3HD1 ILE 122 3HD1 ILE 122 7.212 -4.813 2.577 919 H HIS 123 H HIS 123 8.481 -10.522 5.744 920 HA HIS 123 HA HIS 123 10.104 -10.121 8.107 921 1HB HIS 123 1HB HIS 123 7.724 -11.213 7.964 922 2HB HIS 123 2HB HIS 123 8.595 -12.654 7.460 923 HD1 HIS 123 HD1 HIS 123 7.705 -13.809 9.778 924 HD2 HIS 123 HD2 HIS 123 10.334 -10.534 10.153 925 HE1 HIS 123 HE1 HIS 123 8.477 -13.774 12.207 926 H LYS 124 H LYS 124 10.398 -12.020 5.129 927 HA LYS 124 HA LYS 124 12.545 -13.708 6.110 928 1HB LYS 124 1HB LYS 124 11.682 -12.986 3.270 929 2HB LYS 124 2HB LYS 124 12.918 -14.163 3.684 930 1HG LYS 124 1HG LYS 124 11.316 -15.583 4.825 931 2HG LYS 124 2HG LYS 124 10.007 -14.412 4.576 932 1HD LYS 124 1HD LYS 124 9.738 -14.954 2.353 933 2HD LYS 124 2HD LYS 124 11.460 -15.206 2.101 934 1HE LYS 124 1HE LYS 124 10.664 -17.317 1.791 935 2HE LYS 124 2HE LYS 124 11.208 -17.370 3.470 936 1HZ LYS 124 1HZ LYS 124 8.826 -17.035 4.102 937 2HZ LYS 124 2HZ LYS 124 8.405 -17.088 2.521 938 3HZ LYS 124 3HZ LYS 124 9.071 -18.397 3.205 939 H LEU 125 H LEU 125 12.387 -10.350 4.992 940 HA LEU 125 HA LEU 125 15.161 -10.213 4.167 941 1HB LEU 125 1HB LEU 125 13.254 -8.046 5.111 942 2HB LEU 125 2HB LEU 125 14.872 -7.707 4.624 943 HG LEU 125 HG LEU 125 12.948 -9.091 2.722 944 1HD1 LEU 125 1HD1 LEU 125 13.539 -6.112 2.999 945 2HD1 LEU 125 2HD1 LEU 125 12.618 -6.873 1.686 946 3HD1 LEU 125 3HD1 LEU 125 12.006 -6.898 3.342 947 1HD2 LEU 125 1HD2 LEU 125 15.667 -7.715 2.484 948 2HD2 LEU 125 2HD2 LEU 125 15.252 -9.383 2.065 949 3HD2 LEU 125 3HD2 LEU 125 14.640 -8.071 1.068 950 H ASN 126 H ASN 126 16.799 -9.077 5.276 951 HA ASN 126 HA ASN 126 16.979 -9.593 8.181 952 1HB ASN 126 1HB ASN 126 18.834 -10.127 6.685 953 2HB ASN 126 2HB ASN 126 18.954 -8.442 6.168 954 1HD2 ASN 126 1HD2 ASN 126 20.708 -7.413 7.129 955 2HD2 ASN 126 2HD2 ASN 126 21.260 -7.770 8.750 956 H TRP 127 H TRP 127 16.011 -7.048 6.209 957 HA TRP 127 HA TRP 127 16.405 -5.040 8.380 958 1HB TRP 127 1HB TRP 127 16.632 -3.296 6.770 959 2HB TRP 127 2HB TRP 127 17.829 -4.520 6.438 960 HD1 TRP 127 HD1 TRP 127 17.139 -6.233 4.297 961 HE1 TRP 127 HE1 TRP 127 16.009 -5.650 2.073 962 HE3 TRP 127 HE3 TRP 127 15.143 -1.686 5.541 963 HZ2 TRP 127 HZ2 TRP 127 14.210 -3.657 1.079 964 HZ3 TRP 127 HZ3 TRP 127 13.778 -0.423 3.875 965 HH2 TRP 127 HH2 TRP 127 13.298 -1.421 1.649 966 H ALA 128 H ALA 128 14.790 -3.180 7.909 967 HA ALA 128 HA ALA 128 12.053 -4.227 7.318 968 1HB ALA 128 1HB ALA 128 12.999 -2.795 9.830 969 2HB ALA 128 2HB ALA 128 12.343 -4.446 9.706 970 3HB ALA 128 3HB ALA 128 11.306 -3.036 9.385 971 HA PRO 129 HA PRO 129 12.254 -0.015 5.435 972 1HB PRO 129 1HB PRO 129 9.640 -0.581 4.246 973 2HB PRO 129 2HB PRO 129 11.195 -0.346 3.420 974 1HG PRO 129 1HG PRO 129 9.818 -2.793 3.589 975 2HG PRO 129 2HG PRO 129 11.558 -2.622 3.278 976 1HD PRO 129 1HD PRO 129 10.205 -3.318 5.835 977 2HD PRO 129 2HD PRO 129 11.776 -3.868 5.167 978 H SER 130 H SER 130 10.921 1.923 5.991 979 HA SER 130 HA SER 130 9.071 1.717 8.192 980 1HB SER 130 1HB SER 130 9.078 3.860 6.044 981 2HB SER 130 2HB SER 130 8.545 3.980 7.716 982 HG SER 130 HG SER 130 10.932 3.400 8.128 983 H MET 131 H MET 131 6.664 2.056 8.045 984 HA MET 131 HA MET 131 5.438 0.464 6.021 985 1HB MET 131 1HB MET 131 4.377 2.435 8.080 986 2HB MET 131 2HB MET 131 3.360 1.625 6.896 987 1HG MET 131 1HG MET 131 3.219 0.191 8.632 988 2HG MET 131 2HG MET 131 4.434 -0.602 7.690 989 1HE MET 131 1HE MET 131 6.536 -1.283 8.406 990 2HE MET 131 2HE MET 131 7.490 0.125 8.921 991 3HE MET 131 3HE MET 131 7.207 -1.201 10.049 992 H ASP 132 H ASP 132 5.609 4.067 6.461 993 HA ASP 132 HA ASP 132 4.398 4.991 4.252 994 1HB ASP 132 1HB ASP 132 7.023 5.849 5.496 995 2HB ASP 132 2HB ASP 132 6.308 6.713 4.141 996 H VAL 133 H VAL 133 7.665 3.464 4.194 997 HA VAL 133 HA VAL 133 7.949 3.843 1.347 998 HB VAL 133 HB VAL 133 9.436 2.017 3.306 999 1HG1 VAL 133 1HG1 VAL 133 10.103 2.696 0.405 1000 2HG1 VAL 133 2HG1 VAL 133 11.190 1.870 1.541 1001 3HG1 VAL 133 3HG1 VAL 133 9.690 1.101 1.040 1002 1HG2 VAL 133 1HG2 VAL 133 9.795 4.466 3.734 1003 2HG2 VAL 133 2HG2 VAL 133 11.253 3.635 3.199 1004 3HG2 VAL 133 3HG2 VAL 133 10.363 4.629 2.050 1005 H ALA 134 H ALA 134 7.454 0.760 3.281 1006 HA ALA 134 HA ALA 134 7.120 -0.846 0.930 1007 1HB ALA 134 1HB ALA 134 7.757 -1.720 3.148 1008 2HB ALA 134 2HB ALA 134 6.099 -1.400 3.733 1009 3HB ALA 134 3HB ALA 134 6.378 -2.578 2.441 1010 H VAL 135 H VAL 135 4.763 1.215 2.486 1011 HA VAL 135 HA VAL 135 2.462 -0.106 1.193 1012 HB VAL 135 HB VAL 135 2.563 2.420 2.895 1013 1HG1 VAL 135 1HG1 VAL 135 0.589 2.159 1.425 1014 2HG1 VAL 135 2HG1 VAL 135 0.263 0.576 2.126 1015 3HG1 VAL 135 3HG1 VAL 135 0.157 2.041 3.137 1016 1HG2 VAL 135 1HG2 VAL 135 3.306 0.319 4.213 1017 2HG2 VAL 135 2HG2 VAL 135 1.802 1.046 4.764 1018 3HG2 VAL 135 3HG2 VAL 135 1.802 -0.412 3.731 1019 H GLY 136 H GLY 136 4.494 2.880 1.097 1020 1HA GLY 136 1HA GLY 136 4.988 4.260 -0.546 1021 2HA GLY 136 2HA GLY 136 3.315 4.272 -0.999 1022 H GLU 137 H GLU 137 5.718 1.569 -1.039 1023 HA GLU 137 HA GLU 137 6.213 1.684 -3.828 1024 1HB GLU 137 1HB GLU 137 6.864 -0.417 -1.737 1025 2HB GLU 137 2HB GLU 137 7.470 -0.415 -3.396 1026 1HG GLU 137 1HG GLU 137 8.007 2.216 -2.387 1027 2HG GLU 137 2HG GLU 137 8.372 1.109 -1.081 1028 H ILE 138 H ILE 138 4.372 -0.689 -1.824 1029 HA ILE 138 HA ILE 138 3.804 -2.426 -3.981 1030 HB ILE 138 HB ILE 138 3.442 -2.954 -1.594 1031 1HG1 ILE 138 1HG1 ILE 138 1.123 -3.528 -3.479 1032 2HG1 ILE 138 2HG1 ILE 138 2.644 -4.399 -3.366 1033 1HG2 ILE 138 1HG2 ILE 138 2.262 -0.943 -0.864 1034 2HG2 ILE 138 2HG2 ILE 138 0.803 -1.496 -1.728 1035 3HG2 ILE 138 3HG2 ILE 138 1.464 -2.428 -0.369 1036 1HD1 ILE 138 1HD1 ILE 138 1.908 -5.069 -0.956 1037 2HD1 ILE 138 2HD1 ILE 138 0.333 -4.407 -1.407 1038 3HD1 ILE 138 3HD1 ILE 138 1.050 -5.773 -2.307 1039 H LEU 139 H LEU 139 2.204 0.524 -3.005 1040 HA LEU 139 HA LEU 139 -0.047 0.257 -4.854 1041 1HB LEU 139 1HB LEU 139 1.126 2.525 -3.229 1042 2HB LEU 139 2HB LEU 139 -0.303 2.686 -4.137 1043 HG LEU 139 HG LEU 139 0.119 0.766 -1.780 1044 1HD1 LEU 139 1HD1 LEU 139 -0.048 3.111 -1.145 1045 2HD1 LEU 139 2HD1 LEU 139 -1.593 3.268 -2.009 1046 3HD1 LEU 139 3HD1 LEU 139 -1.448 2.186 -0.585 1047 1HD2 LEU 139 1HD2 LEU 139 -2.422 1.262 -3.331 1048 2HD2 LEU 139 2HD2 LEU 139 -1.502 -0.255 -3.293 1049 3HD2 LEU 139 3HD2 LEU 139 -2.297 0.330 -1.829 1050 H ALA 140 H ALA 140 2.968 2.068 -4.684 1051 HA ALA 140 HA ALA 140 2.816 3.344 -7.207 1052 1HB ALA 140 1HB ALA 140 4.596 3.843 -5.596 1053 2HB ALA 140 2HB ALA 140 5.335 2.251 -5.900 1054 3HB ALA 140 3HB ALA 140 5.257 3.452 -7.187 1055 H GLU 141 H GLU 141 3.068 -0.156 -6.710 1056 HA GLU 141 HA GLU 141 3.913 -0.416 -9.547 1057 1HB GLU 141 1HB GLU 141 4.393 -1.956 -6.995 1058 2HB GLU 141 2HB GLU 141 4.701 -2.649 -8.582 1059 1HG GLU 141 1HG GLU 141 6.299 -0.886 -9.142 1060 2HG GLU 141 2HG GLU 141 5.908 0.002 -7.652 1061 H VAL 142 H VAL 142 1.655 -1.927 -7.145 1062 HA VAL 142 HA VAL 142 1.174 -3.979 -9.073 1063 HB VAL 142 HB VAL 142 1.120 -3.724 -6.293 1064 1HG1 VAL 142 1HG1 VAL 142 -1.649 -4.596 -7.158 1065 2HG1 VAL 142 2HG1 VAL 142 -0.914 -4.769 -5.536 1066 3HG1 VAL 142 3HG1 VAL 142 -1.230 -3.163 -6.203 1067 1HG2 VAL 142 1HG2 VAL 142 2.079 -5.478 -7.586 1068 2HG2 VAL 142 2HG2 VAL 142 0.978 -6.129 -6.365 1069 3HG2 VAL 142 3HG2 VAL 142 0.486 -6.062 -8.084 No H/Q in entry = 1069 Start of MODEL 15 1 H SER 1 H SER 1 18.199 7.041 6.844 2 HA SER 1 HA SER 1 17.960 9.278 7.793 3 1HB SER 1 1HB SER 1 15.501 10.032 8.024 4 2HB SER 1 2HB SER 1 16.287 10.237 6.460 5 HG SER 1 HG SER 1 14.356 9.310 5.981 6 H GLN 2 H GLN 2 18.392 8.763 9.932 7 HA GLN 2 HA GLN 2 16.856 6.776 11.384 8 1HB GLN 2 1HB GLN 2 18.515 9.134 12.422 9 2HB GLN 2 2HB GLN 2 17.860 7.816 13.380 10 1HG GLN 2 1HG GLN 2 19.890 6.924 13.144 11 2HG GLN 2 2HG GLN 2 19.256 6.315 11.620 12 1HE2 GLN 2 1HE2 GLN 2 22.022 7.127 12.563 13 2HE2 GLN 2 2HE2 GLN 2 22.647 8.275 11.424 14 H GLU 3 H GLU 3 15.599 7.605 13.351 15 HA GLU 3 HA GLU 3 13.613 8.416 13.999 16 1HB GLU 3 1HB GLU 3 13.737 10.701 14.735 17 2HB GLU 3 2HB GLU 3 15.277 9.883 14.991 18 1HG GLU 3 1HG GLU 3 16.273 11.027 13.068 19 2HG GLU 3 2HG GLU 3 14.718 11.806 12.691 20 H VAL 4 H VAL 4 13.489 7.821 11.351 21 HA VAL 4 HA VAL 4 11.074 9.405 10.607 22 HB VAL 4 HB VAL 4 13.164 8.341 8.680 23 1HG1 VAL 4 1HG1 VAL 4 10.455 9.664 8.147 24 2HG1 VAL 4 2HG1 VAL 4 11.726 9.405 6.933 25 3HG1 VAL 4 3HG1 VAL 4 10.932 8.017 7.682 26 1HG2 VAL 4 1HG2 VAL 4 12.176 11.159 9.323 27 2HG2 VAL 4 2HG2 VAL 4 13.780 10.530 9.666 28 3HG2 VAL 4 3HG2 VAL 4 13.274 10.761 7.994 29 H MET 5 H MET 5 10.620 7.790 12.349 30 HA MET 5 HA MET 5 9.506 5.290 11.236 31 1HB MET 5 1HB MET 5 11.079 5.661 13.815 32 2HB MET 5 2HB MET 5 10.264 4.170 13.356 33 1HG MET 5 1HG MET 5 12.357 5.286 11.489 34 2HG MET 5 2HG MET 5 12.849 4.646 13.016 35 1HE MET 5 1HE MET 5 10.792 3.820 9.729 36 2HE MET 5 2HE MET 5 10.659 2.052 9.816 37 3HE MET 5 3HE MET 5 9.733 3.057 10.948 38 H LYS 6 H LYS 6 8.267 7.917 11.716 39 HA LYS 6 HA LYS 6 6.713 7.785 14.119 40 1HB LYS 6 1HB LYS 6 5.424 9.641 13.127 41 2HB LYS 6 2HB LYS 6 7.134 9.923 13.390 42 1HG LYS 6 1HG LYS 6 7.559 9.400 11.054 43 2HG LYS 6 2HG LYS 6 5.829 9.201 10.737 44 1HD LYS 6 1HD LYS 6 5.423 11.538 11.433 45 2HD LYS 6 2HD LYS 6 7.149 11.765 11.757 46 1HE LYS 6 1HE LYS 6 7.720 11.556 9.441 47 2HE LYS 6 2HE LYS 6 6.126 10.904 9.039 48 1HZ LYS 6 1HZ LYS 6 5.167 13.088 9.497 49 2HZ LYS 6 2HZ LYS 6 6.667 13.699 9.877 50 3HZ LYS 6 3HZ LYS 6 6.338 13.194 8.380 51 H ASN 7 H ASN 7 4.114 8.058 13.593 52 HA ASN 7 HA ASN 7 3.224 5.571 12.548 53 1HB ASN 7 1HB ASN 7 1.149 6.248 13.189 54 2HB ASN 7 2HB ASN 7 2.047 7.227 14.281 55 1HD2 ASN 7 1HD2 ASN 7 -0.551 7.348 12.533 56 2HD2 ASN 7 2HD2 ASN 7 -0.592 9.023 11.945 57 H LEU 8 H LEU 8 1.468 5.536 10.810 58 HA LEU 8 HA LEU 8 2.462 5.869 8.295 59 1HB LEU 8 1HB LEU 8 0.593 4.486 8.756 60 2HB LEU 8 2HB LEU 8 -0.375 5.803 9.385 61 HG LEU 8 HG LEU 8 -0.964 4.838 7.142 62 1HD1 LEU 8 1HD1 LEU 8 -1.759 7.094 8.038 63 2HD1 LEU 8 2HD1 LEU 8 -0.573 7.836 6.942 64 3HD1 LEU 8 3HD1 LEU 8 -1.871 6.842 6.305 65 1HD2 LEU 8 1HD2 LEU 8 1.602 5.115 6.369 66 2HD2 LEU 8 2HD2 LEU 8 0.250 5.106 5.259 67 3HD2 LEU 8 3HD2 LEU 8 0.963 6.643 5.732 68 H SER 9 H SER 9 2.990 7.548 7.025 69 HA SER 9 HA SER 9 2.110 10.224 7.861 70 1HB SER 9 1HB SER 9 4.579 9.059 7.469 71 2HB SER 9 2HB SER 9 4.330 9.861 5.919 72 HG SER 9 HG SER 9 4.311 11.780 6.900 73 H LEU 10 H LEU 10 1.884 8.066 5.061 74 HA LEU 10 HA LEU 10 1.120 10.137 3.252 75 1HB LEU 10 1HB LEU 10 0.503 7.209 3.244 76 2HB LEU 10 2HB LEU 10 -0.115 8.289 1.999 77 HG LEU 10 HG LEU 10 2.709 7.346 2.471 78 1HD1 LEU 10 1HD1 LEU 10 1.135 6.119 0.958 79 2HD1 LEU 10 2HD1 LEU 10 1.062 7.548 -0.071 80 3HD1 LEU 10 3HD1 LEU 10 2.605 6.696 0.173 81 1HD2 LEU 10 1HD2 LEU 10 1.875 9.757 0.757 82 2HD2 LEU 10 2HD2 LEU 10 2.984 9.808 2.138 83 3HD2 LEU 10 3HD2 LEU 10 3.450 8.956 0.664 84 H ASN 11 H ASN 11 -0.771 11.248 2.908 85 HA ASN 11 HA ASN 11 -2.638 11.194 5.033 86 1HB ASN 11 1HB ASN 11 -1.898 13.210 3.656 87 2HB ASN 11 2HB ASN 11 -3.014 12.663 2.411 88 1HD2 ASN 11 1HD2 ASN 11 -4.115 14.833 2.867 89 2HD2 ASN 11 2HD2 ASN 11 -5.201 14.916 4.235 90 H PHE 12 H PHE 12 -2.978 8.696 4.328 91 HA PHE 12 HA PHE 12 -4.399 7.975 2.065 92 1HB PHE 12 1HB PHE 12 -3.819 6.674 4.719 93 2HB PHE 12 2HB PHE 12 -5.003 5.920 3.675 94 HD1 PHE 12 HD1 PHE 12 -4.311 5.637 1.126 95 HD2 PHE 12 HD2 PHE 12 -1.534 6.073 4.386 96 HE1 PHE 12 HE1 PHE 12 -2.517 4.585 -0.239 97 HE2 PHE 12 HE2 PHE 12 0.237 4.986 3.021 98 HZ PHE 12 HZ PHE 12 -0.252 4.215 0.762 99 H GLY 13 H GLY 13 -5.670 9.160 5.091 100 1HA GLY 13 1HA GLY 13 -7.812 9.893 5.622 101 2HA GLY 13 2HA GLY 13 -8.309 8.294 5.061 102 H LYS 14 H LYS 14 -6.867 10.863 2.999 103 HA LYS 14 HA LYS 14 -9.443 11.591 1.829 104 1HB LYS 14 1HB LYS 14 -6.555 12.323 1.486 105 2HB LYS 14 2HB LYS 14 -7.437 12.322 -0.027 106 1HG LYS 14 1HG LYS 14 -8.493 13.750 2.425 107 2HG LYS 14 2HG LYS 14 -7.340 14.515 1.338 108 1HD LYS 14 1HD LYS 14 -9.939 13.313 0.317 109 2HD LYS 14 2HD LYS 14 -9.878 14.964 0.927 110 1HE LYS 14 1HE LYS 14 -8.031 13.971 -1.297 111 2HE LYS 14 2HE LYS 14 -9.644 14.609 -1.612 112 1HZ LYS 14 1HZ LYS 14 -7.520 16.147 -0.233 113 2HZ LYS 14 2HZ LYS 14 -7.979 16.317 -1.821 114 3HZ LYS 14 3HZ LYS 14 -9.008 16.670 -0.589 115 H ALA 15 H ALA 15 -6.626 9.673 0.433 116 HA ALA 15 HA ALA 15 -8.070 9.089 -1.924 117 1HB ALA 15 1HB ALA 15 -5.844 7.593 -0.537 118 2HB ALA 15 2HB ALA 15 -5.680 8.905 -1.748 119 3HB ALA 15 3HB ALA 15 -6.405 7.373 -2.214 120 H LEU 16 H LEU 16 -8.057 7.364 1.252 121 HA LEU 16 HA LEU 16 -9.500 5.044 0.377 122 1HB LEU 16 1HB LEU 16 -9.135 6.423 3.071 123 2HB LEU 16 2HB LEU 16 -10.231 5.058 2.894 124 HG LEU 16 HG LEU 16 -7.278 4.905 2.154 125 1HD1 LEU 16 1HD1 LEU 16 -8.716 3.913 4.656 126 2HD1 LEU 16 2HD1 LEU 16 -7.038 3.574 4.213 127 3HD1 LEU 16 3HD1 LEU 16 -7.534 5.247 4.600 128 1HD2 LEU 16 1HD2 LEU 16 -8.754 3.155 1.078 129 2HD2 LEU 16 2HD2 LEU 16 -7.649 2.474 2.289 130 3HD2 LEU 16 3HD2 LEU 16 -9.339 2.720 2.707 131 H ASP 17 H ASP 17 -10.566 8.259 1.583 132 HA ASP 17 HA ASP 17 -13.373 7.654 1.693 133 1HB ASP 17 1HB ASP 17 -11.922 9.786 2.539 134 2HB ASP 17 2HB ASP 17 -12.136 10.349 0.907 135 H GLU 18 H GLU 18 -11.287 8.078 -1.035 136 HA GLU 18 HA GLU 18 -13.629 8.616 -2.788 137 1HB GLU 18 1HB GLU 18 -10.675 8.503 -3.544 138 2HB GLU 18 2HB GLU 18 -12.031 8.987 -4.569 139 1HG GLU 18 1HG GLU 18 -12.319 10.625 -2.304 140 2HG GLU 18 2HG GLU 18 -10.581 10.508 -2.488 141 H CYS 19 H CYS 19 -10.870 6.267 -2.416 142 HA CYS 19 HA CYS 19 -11.708 4.340 -4.195 143 1HB CYS 19 1HB CYS 19 -10.291 4.296 -1.515 144 2HB CYS 19 2HB CYS 19 -10.587 2.812 -2.381 145 H LYS 20 H LYS 20 -12.800 4.709 -0.810 146 HA LYS 20 HA LYS 20 -14.353 2.327 -0.767 147 1HB LYS 20 1HB LYS 20 -15.047 3.052 1.360 148 2HB LYS 20 2HB LYS 20 -13.420 3.701 1.174 149 1HG LYS 20 1HG LYS 20 -14.267 5.562 1.979 150 2HG LYS 20 2HG LYS 20 -14.665 5.866 0.301 151 1HD LYS 20 1HD LYS 20 -16.529 6.421 1.609 152 2HD LYS 20 2HD LYS 20 -16.998 4.907 0.793 153 1HE LYS 20 1HE LYS 20 -16.147 3.669 2.921 154 2HE LYS 20 2HE LYS 20 -15.854 5.254 3.638 155 1HZ LYS 20 1HZ LYS 20 -18.260 5.640 3.459 156 2HZ LYS 20 2HZ LYS 20 -18.455 4.032 3.024 157 3HZ LYS 20 3HZ LYS 20 -17.829 4.483 4.487 158 H LYS 21 H LYS 21 -15.062 5.566 -2.078 159 HA LYS 21 HA LYS 21 -17.895 4.946 -2.278 160 1HB LYS 21 1HB LYS 21 -16.310 7.365 -3.226 161 2HB LYS 21 2HB LYS 21 -18.068 7.199 -3.210 162 1HG LYS 21 1HG LYS 21 -18.018 6.969 -0.717 163 2HG LYS 21 2HG LYS 21 -16.275 7.199 -0.757 164 1HD LYS 21 1HD LYS 21 -16.571 9.367 -1.934 165 2HD LYS 21 2HD LYS 21 -18.338 9.200 -1.763 166 1HE LYS 21 1HE LYS 21 -18.151 9.232 0.676 167 2HE LYS 21 2HE LYS 21 -16.381 9.188 0.583 168 1HZ LYS 21 1HZ LYS 21 -18.030 11.383 -0.479 169 2HZ LYS 21 2HZ LYS 21 -17.272 11.410 0.963 170 3HZ LYS 21 3HZ LYS 21 -16.372 11.327 -0.412 171 H GLU 22 H GLU 22 -14.925 5.126 -4.247 172 HA GLU 22 HA GLU 22 -16.124 5.169 -6.803 173 1HB GLU 22 1HB GLU 22 -13.379 4.145 -5.912 174 2HB GLU 22 2HB GLU 22 -13.937 4.169 -7.576 175 1HG GLU 22 1HG GLU 22 -14.302 6.774 -7.049 176 2HG GLU 22 2HG GLU 22 -13.019 6.444 -5.889 177 H MET 23 H MET 23 -14.552 2.450 -5.094 178 HA MET 23 HA MET 23 -15.512 0.473 -6.966 179 1HB MET 23 1HB MET 23 -14.745 -0.294 -4.192 180 2HB MET 23 2HB MET 23 -14.378 -1.087 -5.688 181 1HG MET 23 1HG MET 23 -12.932 1.343 -5.723 182 2HG MET 23 2HG MET 23 -12.776 0.695 -4.091 183 1HE MET 23 1HE MET 23 -12.019 0.441 -7.793 184 2HE MET 23 2HE MET 23 -11.380 -1.183 -8.051 185 3HE MET 23 3HE MET 23 -13.096 -0.971 -7.669 186 H THR 24 H THR 24 -16.915 2.133 -4.406 187 HA THR 24 HA THR 24 -18.509 1.946 -2.924 188 HB THR 24 HB THR 24 -19.910 -0.029 -4.733 189 HG1 THR 24 HG1 THR 24 -20.569 2.399 -5.423 190 1HG2 THR 24 1HG2 THR 24 -20.975 0.667 -2.575 191 2HG2 THR 24 2HG2 THR 24 -20.894 2.362 -3.103 192 3HG2 THR 24 3HG2 THR 24 -21.889 1.189 -4.011 193 H LEU 25 H LEU 25 -16.860 1.101 -1.564 194 HA LEU 25 HA LEU 25 -16.896 -1.818 -0.994 195 1HB LEU 25 1HB LEU 25 -15.152 0.315 0.274 196 2HB LEU 25 2HB LEU 25 -14.975 -1.414 0.409 197 HG LEU 25 HG LEU 25 -14.493 0.166 -2.153 198 1HD1 LEU 25 1HD1 LEU 25 -12.790 0.539 -0.435 199 2HD1 LEU 25 2HD1 LEU 25 -12.528 -1.213 -0.288 200 3HD1 LEU 25 3HD1 LEU 25 -12.153 -0.379 -1.810 201 1HD2 LEU 25 1HD2 LEU 25 -14.070 -2.801 -1.532 202 2HD2 LEU 25 2HD2 LEU 25 -15.311 -2.146 -2.610 203 3HD2 LEU 25 3HD2 LEU 25 -13.616 -1.970 -3.030 204 H THR 26 H THR 26 -16.574 -2.076 1.487 205 HA THR 26 HA THR 26 -18.919 -1.205 2.922 206 HB THR 26 HB THR 26 -17.463 -2.446 4.756 207 HG1 THR 26 HG1 THR 26 -16.272 -4.090 3.114 208 1HG2 THR 26 1HG2 THR 26 -18.571 -3.886 2.308 209 2HG2 THR 26 2HG2 THR 26 -18.242 -4.636 3.877 210 3HG2 THR 26 3HG2 THR 26 -19.484 -3.380 3.746 211 H ASP 27 H ASP 27 -18.753 -0.043 4.926 212 HA ASP 27 HA ASP 27 -17.004 2.312 4.753 213 1HB ASP 27 1HB ASP 27 -19.378 2.468 5.376 214 2HB ASP 27 2HB ASP 27 -19.093 1.451 6.792 215 H ALA 28 H ALA 28 -17.261 -0.612 6.691 216 HA ALA 28 HA ALA 28 -15.455 0.098 8.766 217 1HB ALA 28 1HB ALA 28 -17.090 -1.704 8.953 218 2HB ALA 28 2HB ALA 28 -15.462 -2.315 9.279 219 3HB ALA 28 3HB ALA 28 -16.234 -2.644 7.708 220 H ILE 29 H ILE 29 -14.669 -0.371 5.503 221 HA ILE 29 HA ILE 29 -11.982 -1.342 5.574 222 HB ILE 29 HB ILE 29 -11.602 -0.224 3.644 223 1HG1 ILE 29 1HG1 ILE 29 -13.649 1.224 2.656 224 2HG1 ILE 29 2HG1 ILE 29 -13.807 1.642 4.371 225 1HG2 ILE 29 1HG2 ILE 29 -13.013 -2.235 3.546 226 2HG2 ILE 29 2HG2 ILE 29 -14.451 -1.198 3.481 227 3HG2 ILE 29 3HG2 ILE 29 -13.248 -1.129 2.184 228 1HD1 ILE 29 1HD1 ILE 29 -11.277 2.050 4.333 229 2HD1 ILE 29 2HD1 ILE 29 -11.360 1.814 2.582 230 3HD1 ILE 29 3HD1 ILE 29 -12.211 3.192 3.318 231 H ASN 30 H ASN 30 -13.343 1.668 6.839 232 HA ASN 30 HA ASN 30 -10.959 3.138 6.832 233 1HB ASN 30 1HB ASN 30 -13.514 3.684 7.476 234 2HB ASN 30 2HB ASN 30 -12.904 3.491 9.115 235 1HD2 ASN 30 1HD2 ASN 30 -13.884 5.987 7.714 236 2HD2 ASN 30 2HD2 ASN 30 -12.533 7.100 7.905 237 H GLU 31 H GLU 31 -11.861 0.539 8.972 238 HA GLU 31 HA GLU 31 -9.422 1.051 10.647 239 1HB GLU 31 1HB GLU 31 -11.895 -0.586 11.301 240 2HB GLU 31 2HB GLU 31 -10.427 -0.488 12.284 241 1HG GLU 31 1HG GLU 31 -10.762 2.045 12.366 242 2HG GLU 31 2HG GLU 31 -12.369 1.776 11.657 243 H ASP 32 H ASP 32 -11.242 -1.446 8.829 244 HA ASP 32 HA ASP 32 -9.606 -3.665 9.310 245 1HB ASP 32 1HB ASP 32 -11.782 -3.682 8.208 246 2HB ASP 32 2HB ASP 32 -11.108 -2.895 6.784 247 H PHE 33 H PHE 33 -9.235 -1.112 6.912 248 HA PHE 33 HA PHE 33 -7.122 -2.143 5.367 249 1HB PHE 33 1HB PHE 33 -8.546 -0.191 4.851 250 2HB PHE 33 2HB PHE 33 -7.842 0.703 6.194 251 HD1 PHE 33 HD1 PHE 33 -5.677 1.774 6.024 252 HD2 PHE 33 HD2 PHE 33 -7.153 -0.740 2.848 253 HE1 PHE 33 HE1 PHE 33 -3.962 2.704 4.519 254 HE2 PHE 33 HE2 PHE 33 -5.366 0.134 1.356 255 HZ PHE 33 HZ PHE 33 -3.797 1.886 2.189 256 H TYR 34 H TYR 34 -7.075 -0.202 8.363 257 HA TYR 34 HA TYR 34 -4.157 -0.054 8.508 258 1HB TYR 34 1HB TYR 34 -6.367 0.739 10.449 259 2HB TYR 34 2HB TYR 34 -4.647 0.930 10.754 260 HD1 TYR 34 HD1 TYR 34 -3.517 2.888 10.073 261 HD2 TYR 34 HD2 TYR 34 -7.337 1.967 8.294 262 HE1 TYR 34 HE1 TYR 34 -3.356 4.921 8.706 263 HE2 TYR 34 HE2 TYR 34 -7.191 3.991 6.891 264 HH TYR 34 HH TYR 34 -4.401 6.266 7.108 265 H ASN 35 H ASN 35 -6.733 -1.916 10.072 266 HA ASN 35 HA ASN 35 -5.220 -3.425 11.936 267 1HB ASN 35 1HB ASN 35 -7.544 -4.400 10.216 268 2HB ASN 35 2HB ASN 35 -6.838 -5.301 11.548 269 1HD2 ASN 35 1HD2 ASN 35 -9.583 -4.442 11.272 270 2HD2 ASN 35 2HD2 ASN 35 -9.944 -3.465 12.681 271 H PHE 36 H PHE 36 -5.423 -3.822 8.381 272 HA PHE 36 HA PHE 36 -4.645 -6.392 8.044 273 1HB PHE 36 1HB PHE 36 -5.214 -4.888 6.226 274 2HB PHE 36 2HB PHE 36 -3.724 -3.992 6.476 275 HD1 PHE 36 HD1 PHE 36 -2.983 -4.168 4.215 276 HD2 PHE 36 HD2 PHE 36 -3.748 -7.764 6.488 277 HE1 PHE 36 HE1 PHE 36 -1.866 -5.522 2.481 278 HE2 PHE 36 HE2 PHE 36 -2.644 -9.096 4.769 279 HZ PHE 36 HZ PHE 36 -1.682 -7.990 2.742 280 H TRP 37 H TRP 37 -2.432 -3.695 8.875 281 HA TRP 37 HA TRP 37 -0.070 -5.320 8.488 282 1HB TRP 37 1HB TRP 37 -0.078 -2.720 9.981 283 2HB TRP 37 2HB TRP 37 1.107 -3.342 8.838 284 HD1 TRP 37 HD1 TRP 37 -0.679 -3.776 6.299 285 HE1 TRP 37 HE1 TRP 37 -2.013 -1.913 5.169 286 HE3 TRP 37 HE3 TRP 37 -0.566 -0.301 10.057 287 HZ2 TRP 37 HZ2 TRP 37 -2.648 0.909 5.709 288 HZ3 TRP 37 HZ3 TRP 37 -1.495 1.946 9.716 289 HH2 TRP 37 HH2 TRP 37 -2.473 2.587 7.498 290 H LYS 38 H LYS 38 -2.271 -4.918 11.136 291 HA LYS 38 HA LYS 38 -0.479 -4.835 13.347 292 1HB LYS 38 1HB LYS 38 -3.355 -5.882 13.134 293 2HB LYS 38 2HB LYS 38 -2.489 -5.684 14.645 294 1HG LYS 38 1HG LYS 38 -2.283 -3.284 14.301 295 2HG LYS 38 2HG LYS 38 -3.046 -3.394 12.701 296 1HD LYS 38 1HD LYS 38 -5.152 -4.184 13.728 297 2HD LYS 38 2HD LYS 38 -4.383 -4.337 15.230 298 1HE LYS 38 1HE LYS 38 -3.961 -1.901 15.388 299 2HE LYS 38 2HE LYS 38 -4.757 -1.678 13.817 300 1HZ LYS 38 1HZ LYS 38 -6.071 -2.835 16.201 301 2HZ LYS 38 2HZ LYS 38 -6.192 -1.262 15.732 302 3HZ LYS 38 3HZ LYS 38 -6.784 -2.452 14.757 303 H GLU 39 H GLU 39 0.543 -6.430 14.501 304 HA GLU 39 HA GLU 39 0.981 -9.009 13.459 305 1HB GLU 39 1HB GLU 39 1.293 -7.837 16.276 306 2HB GLU 39 2HB GLU 39 1.750 -9.485 15.859 307 1HG GLU 39 1HG GLU 39 3.740 -8.312 15.677 308 2HG GLU 39 2HG GLU 39 3.206 -8.600 14.026 309 H GLY 40 H GLY 40 0.398 -11.042 14.439 310 1HA GLY 40 1HA GLY 40 -1.841 -11.377 16.183 311 2HA GLY 40 2HA GLY 40 -1.070 -12.635 15.219 312 H TYR 41 H TYR 41 -2.198 -10.036 13.292 313 HA TYR 41 HA TYR 41 -4.965 -10.864 13.177 314 1HB TYR 41 1HB TYR 41 -3.437 -8.501 13.160 315 2HB TYR 41 2HB TYR 41 -4.049 -8.578 11.563 316 HD1 TYR 41 HD1 TYR 41 -4.478 -7.216 14.627 317 HD2 TYR 41 HD2 TYR 41 -6.889 -9.273 11.714 318 HE1 TYR 41 HE1 TYR 41 -6.370 -5.859 15.281 319 HE2 TYR 41 HE2 TYR 41 -8.831 -7.931 12.352 320 HH TYR 41 HH TYR 41 -8.695 -5.483 15.014 321 H GLU 42 H GLU 42 -5.750 -12.159 11.571 322 HA GLU 42 HA GLU 42 -4.353 -12.415 8.941 323 1HB GLU 42 1HB GLU 42 -6.233 -14.175 10.496 324 2HB GLU 42 2HB GLU 42 -6.137 -14.307 8.755 325 1HG GLU 42 1HG GLU 42 -4.757 -15.958 9.933 326 2HG GLU 42 2HG GLU 42 -3.911 -15.002 8.734 327 H ILE 43 H ILE 43 -5.144 -10.562 7.753 328 HA ILE 43 HA ILE 43 -8.073 -10.193 7.622 329 HB ILE 43 HB ILE 43 -5.835 -8.408 6.672 330 1HG1 ILE 43 1HG1 ILE 43 -6.914 -6.976 8.516 331 2HG1 ILE 43 2HG1 ILE 43 -7.684 -8.397 9.114 332 1HG2 ILE 43 1HG2 ILE 43 -8.864 -8.035 6.760 333 2HG2 ILE 43 2HG2 ILE 43 -7.697 -6.766 6.397 334 3HG2 ILE 43 3HG2 ILE 43 -7.856 -8.141 5.298 335 1HD1 ILE 43 1HD1 ILE 43 -4.667 -8.349 8.788 336 2HD1 ILE 43 2HD1 ILE 43 -5.468 -7.544 10.159 337 3HD1 ILE 43 3HD1 ILE 43 -5.664 -9.277 9.907 338 H LYS 44 H LYS 44 -8.986 -11.449 6.089 339 HA LYS 44 HA LYS 44 -7.449 -12.207 3.645 340 1HB LYS 44 1HB LYS 44 -9.653 -13.741 5.072 341 2HB LYS 44 2HB LYS 44 -8.662 -14.307 3.733 342 1HG LYS 44 1HG LYS 44 -7.628 -13.705 6.551 343 2HG LYS 44 2HG LYS 44 -8.023 -15.293 5.937 344 1HD LYS 44 1HD LYS 44 -5.885 -13.514 4.680 345 2HD LYS 44 2HD LYS 44 -5.578 -14.725 5.940 346 1HE LYS 44 1HE LYS 44 -6.627 -16.463 4.461 347 2HE LYS 44 2HE LYS 44 -6.726 -15.253 3.172 348 1HZ LYS 44 1HZ LYS 44 -4.223 -16.110 4.470 349 2HZ LYS 44 2HZ LYS 44 -4.770 -16.733 3.080 350 3HZ LYS 44 3HZ LYS 44 -4.357 -15.133 3.121 351 H ASN 45 H ASN 45 -9.681 -10.038 4.494 352 HA ASN 45 HA ASN 45 -11.951 -10.882 2.940 353 1HB ASN 45 1HB ASN 45 -12.028 -9.453 5.065 354 2HB ASN 45 2HB ASN 45 -11.531 -8.085 4.050 355 1HD2 ASN 45 1HD2 ASN 45 -13.300 -6.955 3.195 356 2HD2 ASN 45 2HD2 ASN 45 -14.683 -7.754 2.425 357 H ARG 46 H ARG 46 -13.026 -9.303 1.347 358 HA ARG 46 HA ARG 46 -11.251 -9.178 -0.939 359 1HB ARG 46 1HB ARG 46 -14.112 -8.237 -0.876 360 2HB ARG 46 2HB ARG 46 -13.156 -8.734 -2.245 361 1HG ARG 46 1HG ARG 46 -13.227 -11.044 -1.562 362 2HG ARG 46 2HG ARG 46 -13.861 -10.655 0.028 363 1HD ARG 46 1HD ARG 46 -15.894 -9.984 -0.679 364 2HD ARG 46 2HD ARG 46 -15.404 -9.743 -2.380 365 HE ARG 46 HE ARG 46 -14.895 -12.328 -2.220 366 1HH1 ARG 46 1HH1 ARG 46 -16.427 -14.161 -2.519 367 2HH1 ARG 46 2HH1 ARG 46 -18.094 -13.851 -2.140 368 1HH2 ARG 46 1HH2 ARG 46 -17.823 -10.446 -1.424 369 2HH2 ARG 46 2HH2 ARG 46 -18.905 -11.713 -1.829 370 H GLU 47 H GLU 47 -13.336 -6.810 0.804 371 HA GLU 47 HA GLU 47 -12.559 -4.650 -0.753 372 1HB GLU 47 1HB GLU 47 -13.579 -4.468 2.092 373 2HB GLU 47 2HB GLU 47 -13.516 -3.186 0.895 374 1HG GLU 47 1HG GLU 47 -15.669 -3.827 0.549 375 2HG GLU 47 2HG GLU 47 -14.909 -4.928 -0.593 376 H THR 48 H THR 48 -10.726 -6.003 1.988 377 HA THR 48 HA THR 48 -8.984 -3.881 2.537 378 HB THR 48 HB THR 48 -7.972 -6.696 2.341 379 HG1 THR 48 HG1 THR 48 -9.648 -5.876 4.476 380 1HG2 THR 48 1HG2 THR 48 -6.542 -4.818 3.229 381 2HG2 THR 48 2HG2 THR 48 -7.709 -4.630 4.561 382 3HG2 THR 48 3HG2 THR 48 -6.789 -6.149 4.364 383 H GLY 49 H GLY 49 -8.396 -6.554 0.213 384 1HA GLY 49 1HA GLY 49 -7.260 -6.623 -1.768 385 2HA GLY 49 2HA GLY 49 -6.135 -5.457 -1.065 386 H CYS 50 H CYS 50 -9.647 -5.058 -1.738 387 HA CYS 50 HA CYS 50 -9.350 -3.721 -4.204 388 1HB CYS 50 1HB CYS 50 -11.361 -4.639 -2.656 389 2HB CYS 50 2HB CYS 50 -11.660 -2.923 -2.519 390 H ALA 51 H ALA 51 -9.438 -2.381 -0.840 391 HA ALA 51 HA ALA 51 -9.227 0.383 -1.701 392 1HB ALA 51 1HB ALA 51 -8.294 0.777 0.638 393 2HB ALA 51 2HB ALA 51 -8.361 -0.974 0.905 394 3HB ALA 51 3HB ALA 51 -9.850 -0.046 0.628 395 H ILE 52 H ILE 52 -6.695 -2.106 -0.863 396 HA ILE 52 HA ILE 52 -4.527 -0.310 -1.097 397 HB ILE 52 HB ILE 52 -4.729 -3.316 -1.394 398 1HG1 ILE 52 1HG1 ILE 52 -3.779 -1.662 0.988 399 2HG1 ILE 52 2HG1 ILE 52 -5.446 -2.164 0.831 400 1HG2 ILE 52 1HG2 ILE 52 -2.303 -1.486 -1.084 401 2HG2 ILE 52 2HG2 ILE 52 -2.248 -3.240 -0.867 402 3HG2 ILE 52 3HG2 ILE 52 -2.686 -2.568 -2.438 403 1HD1 ILE 52 1HD1 ILE 52 -4.761 -4.527 0.758 404 2HD1 ILE 52 2HD1 ILE 52 -3.077 -4.017 1.059 405 3HD1 ILE 52 3HD1 ILE 52 -4.337 -3.689 2.263 406 H MET 53 H MET 53 -5.899 -2.636 -3.436 407 HA MET 53 HA MET 53 -4.493 -2.132 -5.755 408 1HB MET 53 1HB MET 53 -6.245 -3.892 -5.244 409 2HB MET 53 2HB MET 53 -7.465 -2.659 -5.331 410 1HG MET 53 1HG MET 53 -6.237 -2.465 -7.676 411 2HG MET 53 2HG MET 53 -5.792 -4.087 -7.372 412 1HE MET 53 1HE MET 53 -8.933 -1.698 -7.272 413 2HE MET 53 2HE MET 53 -10.263 -2.841 -7.571 414 3HE MET 53 3HE MET 53 -9.488 -2.832 -6.002 415 H CYS 54 H CYS 54 -7.503 -0.417 -4.640 416 HA CYS 54 HA CYS 54 -7.545 1.395 -6.872 417 1HB CYS 54 1HB CYS 54 -9.545 0.968 -5.685 418 2HB CYS 54 2HB CYS 54 -8.821 1.342 -4.119 419 H LEU 55 H LEU 55 -6.152 1.604 -3.626 420 HA LEU 55 HA LEU 55 -5.304 4.308 -3.847 421 1HB LEU 55 1HB LEU 55 -4.359 1.946 -2.179 422 2HB LEU 55 2HB LEU 55 -3.633 3.537 -2.023 423 HG LEU 55 HG LEU 55 -6.629 3.039 -1.657 424 1HD1 LEU 55 1HD1 LEU 55 -4.359 3.194 0.349 425 2HD1 LEU 55 2HD1 LEU 55 -6.086 3.265 0.764 426 3HD1 LEU 55 3HD1 LEU 55 -5.406 1.823 -0.007 427 1HD2 LEU 55 1HD2 LEU 55 -4.837 5.427 -1.248 428 2HD2 LEU 55 2HD2 LEU 55 -6.270 5.241 -2.285 429 3HD2 LEU 55 3HD2 LEU 55 -6.474 5.256 -0.526 430 H SER 56 H SER 56 -3.940 1.478 -5.361 431 HA SER 56 HA SER 56 -1.291 2.342 -5.545 432 1HB SER 56 1HB SER 56 -1.035 0.468 -6.837 433 2HB SER 56 2HB SER 56 -2.580 0.060 -6.203 434 HG SER 56 HG SER 56 -1.970 -0.082 -8.493 435 H THR 57 H THR 57 -4.052 3.739 -6.941 436 HA THR 57 HA THR 57 -2.400 5.330 -8.846 437 HB THR 57 HB THR 57 -3.381 3.737 -10.096 438 HG1 THR 57 HG1 THR 57 -4.043 6.141 -10.537 439 1HG2 THR 57 1HG2 THR 57 -6.079 4.206 -8.797 440 2HG2 THR 57 2HG2 THR 57 -5.749 3.140 -10.205 441 3HG2 THR 57 3HG2 THR 57 -5.065 2.743 -8.643 442 H LYS 58 H LYS 58 -3.342 5.747 -6.025 443 HA LYS 58 HA LYS 58 -4.752 8.370 -6.407 444 1HB LYS 58 1HB LYS 58 -4.972 6.389 -4.112 445 2HB LYS 58 2HB LYS 58 -5.756 7.945 -4.170 446 1HG LYS 58 1HG LYS 58 -6.427 6.113 -6.441 447 2HG LYS 58 2HG LYS 58 -7.024 5.654 -4.840 448 1HD LYS 58 1HD LYS 58 -8.046 7.824 -4.501 449 2HD LYS 58 2HD LYS 58 -7.602 8.262 -6.151 450 1HE LYS 58 1HE LYS 58 -9.328 5.900 -5.280 451 2HE LYS 58 2HE LYS 58 -9.910 7.359 -5.980 452 1HZ LYS 58 1HZ LYS 58 -8.764 6.823 -8.045 453 2HZ LYS 58 2HZ LYS 58 -8.239 5.404 -7.408 454 3HZ LYS 58 3HZ LYS 58 -9.846 5.684 -7.635 455 H LEU 59 H LEU 59 -1.760 7.274 -5.859 456 HA LEU 59 HA LEU 59 -0.967 8.373 -3.312 457 1HB LEU 59 1HB LEU 59 0.668 8.150 -5.905 458 2HB LEU 59 2HB LEU 59 1.317 8.149 -4.278 459 HG LEU 59 HG LEU 59 -0.457 5.991 -5.438 460 1HD1 LEU 59 1HD1 LEU 59 1.497 6.157 -6.883 461 2HD1 LEU 59 2HD1 LEU 59 2.561 5.870 -5.493 462 3HD1 LEU 59 3HD1 LEU 59 1.410 4.628 -6.015 463 1HD2 LEU 59 1HD2 LEU 59 0.237 6.316 -2.809 464 2HD2 LEU 59 2HD2 LEU 59 -0.210 4.803 -3.611 465 3HD2 LEU 59 3HD2 LEU 59 1.505 5.204 -3.394 466 H ASN 60 H ASN 60 -1.417 9.669 -6.514 467 HA ASN 60 HA ASN 60 -0.281 12.257 -6.251 468 1HB ASN 60 1HB ASN 60 -1.810 12.815 -8.139 469 2HB ASN 60 2HB ASN 60 -0.901 11.337 -8.415 470 1HD2 ASN 60 1HD2 ASN 60 -2.068 9.412 -8.770 471 2HD2 ASN 60 2HD2 ASN 60 -3.787 9.240 -8.578 472 H MET 61 H MET 61 -2.949 10.996 -4.484 473 HA MET 61 HA MET 61 -4.053 13.714 -3.999 474 1HB MET 61 1HB MET 61 -5.258 11.048 -3.125 475 2HB MET 61 2HB MET 61 -5.999 12.651 -3.156 476 1HG MET 61 1HG MET 61 -5.412 12.473 -5.765 477 2HG MET 61 2HG MET 61 -5.436 10.731 -5.388 478 1HE MET 61 1HE MET 61 -7.298 9.816 -3.876 479 2HE MET 61 2HE MET 61 -8.112 11.147 -3.016 480 3HE MET 61 3HE MET 61 -9.018 10.145 -4.175 481 H LEU 62 H LEU 62 -1.655 11.753 -2.816 482 HA LEU 62 HA LEU 62 -2.177 12.212 0.079 483 1HB LEU 62 1HB LEU 62 -0.347 10.175 -1.294 484 2HB LEU 62 2HB LEU 62 -0.778 10.242 0.401 485 HG LEU 62 HG LEU 62 -2.627 9.608 -1.906 486 1HD1 LEU 62 1HD1 LEU 62 -1.138 7.754 -1.222 487 2HD1 LEU 62 2HD1 LEU 62 -1.814 7.863 0.422 488 3HD1 LEU 62 3HD1 LEU 62 -2.874 7.442 -0.944 489 1HD2 LEU 62 1HD2 LEU 62 -3.145 10.009 1.015 490 2HD2 LEU 62 2HD2 LEU 62 -4.001 10.745 -0.360 491 3HD2 LEU 62 3HD2 LEU 62 -4.227 9.031 0.005 492 H ASP 63 H ASP 63 0.651 11.862 -2.228 493 HA ASP 63 HA ASP 63 2.395 13.043 -0.455 494 1HB ASP 63 1HB ASP 63 3.757 12.105 -1.724 495 2HB ASP 63 2HB ASP 63 2.465 11.159 -2.384 496 HA PRO 64 HA PRO 64 1.561 17.132 -1.917 497 1HB PRO 64 1HB PRO 64 2.897 18.627 -0.027 498 2HB PRO 64 2HB PRO 64 1.374 17.755 0.348 499 1HG PRO 64 1HG PRO 64 4.227 16.869 0.877 500 2HG PRO 64 2HG PRO 64 2.826 16.816 1.992 501 1HD PRO 64 1HD PRO 64 3.646 14.641 0.524 502 2HD PRO 64 2HD PRO 64 1.935 14.927 0.922 503 H GLU 65 H GLU 65 4.917 16.111 -1.240 504 HA GLU 65 HA GLU 65 6.023 18.266 -2.864 505 1HB GLU 65 1HB GLU 65 7.162 15.581 -2.074 506 2HB GLU 65 2HB GLU 65 8.036 16.802 -2.979 507 1HG GLU 65 1HG GLU 65 7.621 18.361 -1.021 508 2HG GLU 65 2HG GLU 65 7.007 16.980 -0.134 509 H GLY 66 H GLY 66 4.394 15.116 -3.636 510 1HA GLY 66 1HA GLY 66 4.594 15.851 -6.422 511 2HA GLY 66 2HA GLY 66 3.899 14.381 -5.761 512 H ASN 67 H ASN 67 6.352 13.589 -4.313 513 HA ASN 67 HA ASN 67 8.276 12.773 -6.314 514 1HB ASN 67 1HB ASN 67 8.822 11.062 -4.340 515 2HB ASN 67 2HB ASN 67 9.354 12.738 -4.490 516 1HD2 ASN 67 1HD2 ASN 67 8.992 14.089 -3.127 517 2HD2 ASN 67 2HD2 ASN 67 8.313 13.826 -1.477 518 H LEU 68 H LEU 68 5.704 11.410 -4.310 519 HA LEU 68 HA LEU 68 6.343 8.716 -5.105 520 1HB LEU 68 1HB LEU 68 5.512 9.223 -2.838 521 2HB LEU 68 2HB LEU 68 3.978 9.761 -3.515 522 HG LEU 68 HG LEU 68 3.455 7.537 -4.334 523 1HD1 LEU 68 1HD1 LEU 68 6.156 6.660 -3.277 524 2HD1 LEU 68 2HD1 LEU 68 4.851 5.555 -3.746 525 3HD1 LEU 68 3HD1 LEU 68 5.588 6.587 -4.958 526 1HD2 LEU 68 1HD2 LEU 68 2.837 8.113 -2.050 527 2HD2 LEU 68 2HD2 LEU 68 3.196 6.379 -2.199 528 3HD2 LEU 68 3HD2 LEU 68 4.390 7.470 -1.462 529 H HIS 69 H HIS 69 5.951 8.149 -7.181 530 HA HIS 69 HA HIS 69 3.244 8.731 -8.339 531 1HB HIS 69 1HB HIS 69 5.881 8.175 -9.684 532 2HB HIS 69 2HB HIS 69 4.424 8.496 -10.536 533 HD1 HIS 69 HD1 HIS 69 3.350 11.018 -8.790 534 HD2 HIS 69 HD2 HIS 69 7.371 10.322 -9.821 535 HE1 HIS 69 HE1 HIS 69 4.493 13.208 -8.666 536 H HIS 70 H HIS 70 2.551 7.227 -9.816 537 HA HIS 70 HA HIS 70 2.768 4.378 -9.082 538 1HB HIS 70 1HB HIS 70 0.652 5.402 -9.865 539 2HB HIS 70 2HB HIS 70 1.422 5.790 -11.387 540 HD1 HIS 70 HD1 HIS 70 -0.100 4.303 -12.901 541 HD2 HIS 70 HD2 HIS 70 1.541 2.492 -9.539 542 HE1 HIS 70 HE1 HIS 70 -0.753 1.823 -13.052 543 H GLY 71 H GLY 71 4.405 3.232 -9.881 544 1HA GLY 71 1HA GLY 71 5.847 3.709 -12.285 545 2HA GLY 71 2HA GLY 71 6.319 2.653 -10.952 546 H ASN 72 H ASN 72 6.234 5.347 -9.126 547 HA ASN 72 HA ASN 72 9.089 5.372 -9.412 548 1HB ASN 72 1HB ASN 72 8.273 7.271 -10.999 549 2HB ASN 72 2HB ASN 72 7.990 8.169 -9.520 550 1HD2 ASN 72 1HD2 ASN 72 9.859 9.090 -11.267 551 2HD2 ASN 72 2HD2 ASN 72 11.501 8.661 -10.855 552 H ALA 73 H ALA 73 9.249 4.590 -7.345 553 HA ALA 73 HA ALA 73 8.429 6.450 -5.169 554 1HB ALA 73 1HB ALA 73 7.147 4.384 -5.090 555 2HB ALA 73 2HB ALA 73 8.299 4.425 -3.747 556 3HB ALA 73 3HB ALA 73 8.634 3.417 -5.160 557 H MET 74 H MET 74 11.165 6.201 -6.893 558 HA MET 74 HA MET 74 12.872 4.782 -5.001 559 1HB MET 74 1HB MET 74 13.237 6.114 -7.696 560 2HB MET 74 2HB MET 74 14.652 5.775 -6.706 561 1HG MET 74 1HG MET 74 12.610 3.651 -7.416 562 2HG MET 74 2HG MET 74 14.068 3.991 -8.365 563 1HE MET 74 1HE MET 74 13.300 1.120 -7.242 564 2HE MET 74 2HE MET 74 14.806 1.376 -8.157 565 3HE MET 74 3HE MET 74 14.848 0.530 -6.595 566 H GLU 75 H GLU 75 12.179 8.182 -5.786 567 HA GLU 75 HA GLU 75 14.283 9.099 -3.888 568 1HB GLU 75 1HB GLU 75 12.260 10.479 -5.660 569 2HB GLU 75 2HB GLU 75 12.785 11.305 -4.189 570 1HG GLU 75 1HG GLU 75 15.136 11.067 -4.809 571 2HG GLU 75 2HG GLU 75 14.695 10.157 -6.253 572 H PHE 76 H PHE 76 10.733 8.525 -3.924 573 HA PHE 76 HA PHE 76 10.123 9.569 -1.387 574 1HB PHE 76 1HB PHE 76 8.436 9.008 -2.986 575 2HB PHE 76 2HB PHE 76 9.025 7.363 -3.164 576 HD1 PHE 76 HD1 PHE 76 8.311 5.631 -1.791 577 HD2 PHE 76 HD2 PHE 76 7.403 9.674 -0.844 578 HE1 PHE 76 HE1 PHE 76 6.697 4.814 -0.040 579 HE2 PHE 76 HE2 PHE 76 5.814 8.907 0.991 580 HZ PHE 76 HZ PHE 76 5.523 6.443 1.382 581 H ALA 77 H ALA 77 11.183 6.250 -2.314 582 HA ALA 77 HA ALA 77 11.319 5.041 0.165 583 1HB ALA 77 1HB ALA 77 13.296 4.797 -2.177 584 2HB ALA 77 2HB ALA 77 12.990 3.554 -0.952 585 3HB ALA 77 3HB ALA 77 11.738 3.978 -2.120 586 H LYS 78 H LYS 78 13.890 6.903 -1.460 587 HA LYS 78 HA LYS 78 15.681 6.663 0.732 588 1HB LYS 78 1HB LYS 78 15.562 8.536 -1.668 589 2HB LYS 78 2HB LYS 78 16.785 8.727 -0.383 590 1HG LYS 78 1HG LYS 78 17.246 6.167 -0.685 591 2HG LYS 78 2HG LYS 78 16.284 6.305 -2.149 592 1HD LYS 78 1HD LYS 78 18.557 6.491 -2.796 593 2HD LYS 78 2HD LYS 78 17.868 8.133 -2.897 594 1HE LYS 78 1HE LYS 78 18.800 8.363 -0.432 595 2HE LYS 78 2HE LYS 78 19.771 6.955 -0.837 596 1HZ LYS 78 1HZ LYS 78 20.554 8.248 -2.796 597 2HZ LYS 78 2HZ LYS 78 19.721 9.575 -2.184 598 3HZ LYS 78 3HZ LYS 78 20.981 8.930 -1.360 599 H LYS 79 H LYS 79 12.996 8.988 0.309 600 HA LYS 79 HA LYS 79 13.933 10.761 2.332 601 1HB LYS 79 1HB LYS 79 11.029 10.199 1.806 602 2HB LYS 79 2HB LYS 79 11.763 11.599 2.614 603 1HG LYS 79 1HG LYS 79 13.207 11.837 0.424 604 2HG LYS 79 2HG LYS 79 11.955 10.813 -0.278 605 1HD LYS 79 1HD LYS 79 10.274 12.529 0.285 606 2HD LYS 79 2HD LYS 79 11.575 13.556 0.930 607 1HE LYS 79 1HE LYS 79 12.646 12.830 -1.495 608 2HE LYS 79 2HE LYS 79 10.943 12.824 -1.933 609 1HZ LYS 79 1HZ LYS 79 12.322 15.137 -0.686 610 2HZ LYS 79 2HZ LYS 79 12.171 14.916 -2.315 611 3HZ LYS 79 3HZ LYS 79 10.844 15.167 -1.384 612 H HIS 80 H HIS 80 12.508 7.484 2.495 613 HA HIS 80 HA HIS 80 12.223 7.713 5.431 614 1HB HIS 80 1HB HIS 80 10.953 5.881 3.388 615 2HB HIS 80 2HB HIS 80 10.513 6.006 5.105 616 HD1 HIS 80 HD1 HIS 80 9.348 7.212 1.823 617 HD2 HIS 80 HD2 HIS 80 10.071 9.069 5.503 618 HE1 HIS 80 HE1 HIS 80 8.074 9.384 1.811 619 H GLY 81 H GLY 81 14.659 7.254 3.680 620 1HA GLY 81 1HA GLY 81 15.773 5.337 5.489 621 2HA GLY 81 2HA GLY 81 16.654 6.331 4.297 622 H ALA 82 H ALA 82 14.185 4.625 2.846 623 HA ALA 82 HA ALA 82 15.585 2.060 2.478 624 1HB ALA 82 1HB ALA 82 13.794 1.673 0.724 625 2HB ALA 82 2HB ALA 82 13.225 1.909 2.397 626 3HB ALA 82 3HB ALA 82 13.088 3.233 1.223 627 H ASP 83 H ASP 83 17.500 2.182 1.485 628 HA ASP 83 HA ASP 83 18.324 3.978 -0.568 629 1HB ASP 83 1HB ASP 83 19.332 1.263 -0.225 630 2HB ASP 83 2HB ASP 83 20.164 2.671 -0.841 631 H GLU 84 H GLU 84 19.083 2.853 -2.875 632 HA GLU 84 HA GLU 84 16.699 2.069 -4.187 633 1HB GLU 84 1HB GLU 84 18.102 3.287 -5.505 634 2HB GLU 84 2HB GLU 84 19.555 2.664 -4.730 635 1HG GLU 84 1HG GLU 84 19.400 0.592 -5.851 636 2HG GLU 84 2HG GLU 84 17.913 1.099 -6.706 637 H THR 85 H THR 85 19.610 0.217 -2.969 638 HA THR 85 HA THR 85 18.813 -2.223 -4.034 639 HB THR 85 HB THR 85 20.085 -2.019 -1.296 640 HG1 THR 85 HG1 THR 85 22.050 -1.690 -2.933 641 1HG2 THR 85 1HG2 THR 85 19.847 -4.220 -2.509 642 2HG2 THR 85 2HG2 THR 85 20.944 -3.576 -3.752 643 3HG2 THR 85 3HG2 THR 85 21.518 -3.798 -2.080 644 H MET 86 H MET 86 17.864 -0.657 -0.968 645 HA MET 86 HA MET 86 16.435 -2.817 0.205 646 1HB MET 86 1HB MET 86 16.241 0.237 0.509 647 2HB MET 86 2HB MET 86 15.678 -0.925 1.661 648 1HG MET 86 1HG MET 86 18.008 -1.724 1.961 649 2HG MET 86 2HG MET 86 18.570 -0.463 0.894 650 1HE MET 86 1HE MET 86 17.648 -1.408 4.452 651 2HE MET 86 2HE MET 86 19.356 -1.058 4.120 652 3HE MET 86 3HE MET 86 18.442 -0.035 5.255 653 H ALA 87 H ALA 87 15.383 0.037 -1.802 654 HA ALA 87 HA ALA 87 12.638 -0.791 -1.922 655 1HB ALA 87 1HB ALA 87 13.383 1.457 -2.612 656 2HB ALA 87 2HB ALA 87 12.576 0.622 -3.945 657 3HB ALA 87 3HB ALA 87 14.347 0.757 -3.941 658 H GLN 88 H GLN 88 15.429 -1.450 -4.112 659 HA GLN 88 HA GLN 88 13.937 -2.843 -5.996 660 1HB GLN 88 1HB GLN 88 16.246 -1.819 -6.232 661 2HB GLN 88 2HB GLN 88 16.906 -3.212 -5.379 662 1HG GLN 88 1HG GLN 88 17.155 -3.350 -7.837 663 2HG GLN 88 2HG GLN 88 16.200 -4.683 -7.202 664 1HE2 GLN 88 1HE2 GLN 88 13.982 -4.867 -7.794 665 2HE2 GLN 88 2HE2 GLN 88 13.303 -3.858 -9.056 666 H GLN 89 H GLN 89 15.330 -4.053 -3.023 667 HA GLN 89 HA GLN 89 14.891 -6.871 -3.276 668 1HB GLN 89 1HB GLN 89 15.216 -4.820 -1.130 669 2HB GLN 89 2HB GLN 89 14.268 -6.153 -0.615 670 1HG GLN 89 1HG GLN 89 16.943 -6.502 -2.013 671 2HG GLN 89 2HG GLN 89 16.822 -6.168 -0.287 672 1HE2 GLN 89 1HE2 GLN 89 18.111 -8.311 -0.700 673 2HE2 GLN 89 2HE2 GLN 89 17.160 -9.752 -0.285 674 H LEU 90 H LEU 90 12.727 -4.260 -2.077 675 HA LEU 90 HA LEU 90 10.532 -6.034 -1.570 676 1HB LEU 90 1HB LEU 90 10.709 -3.002 -1.888 677 2HB LEU 90 2HB LEU 90 9.349 -3.896 -1.209 678 HG LEU 90 HG LEU 90 12.137 -3.956 0.021 679 1HD1 LEU 90 1HD1 LEU 90 11.248 -1.656 0.166 680 2HD1 LEU 90 2HD1 LEU 90 9.795 -2.276 0.975 681 3HD1 LEU 90 3HD1 LEU 90 11.355 -2.446 1.758 682 1HD2 LEU 90 1HD2 LEU 90 10.611 -5.850 0.659 683 2HD2 LEU 90 2HD2 LEU 90 11.115 -4.813 2.019 684 3HD2 LEU 90 3HD2 LEU 90 9.507 -4.614 1.355 685 H ILE 91 H ILE 91 11.371 -3.926 -4.267 686 HA ILE 91 HA ILE 91 8.994 -4.237 -5.823 687 HB ILE 91 HB ILE 91 11.889 -3.612 -6.422 688 1HG1 ILE 91 1HG1 ILE 91 9.590 -1.727 -6.932 689 2HG1 ILE 91 2HG1 ILE 91 9.998 -2.053 -5.255 690 1HG2 ILE 91 1HG2 ILE 91 9.665 -3.712 -8.478 691 2HG2 ILE 91 2HG2 ILE 91 11.197 -2.846 -8.716 692 3HG2 ILE 91 3HG2 ILE 91 11.179 -4.613 -8.506 693 1HD1 ILE 91 1HD1 ILE 91 12.051 -1.128 -7.293 694 2HD1 ILE 91 2HD1 ILE 91 11.088 -0.045 -6.248 695 3HD1 ILE 91 3HD1 ILE 91 12.176 -1.217 -5.514 696 H ASP 92 H ASP 92 12.004 -6.211 -5.745 697 HA ASP 92 HA ASP 92 11.256 -8.037 -7.805 698 1HB ASP 92 1HB ASP 92 13.460 -7.750 -6.166 699 2HB ASP 92 2HB ASP 92 12.740 -9.133 -5.402 700 H ILE 93 H ILE 93 10.725 -8.069 -4.344 701 HA ILE 93 HA ILE 93 9.206 -10.428 -4.152 702 HB ILE 93 HB ILE 93 9.445 -7.919 -2.455 703 1HG1 ILE 93 1HG1 ILE 93 10.547 -10.721 -2.138 704 2HG1 ILE 93 2HG1 ILE 93 11.462 -9.410 -2.810 705 1HG2 ILE 93 1HG2 ILE 93 7.982 -10.484 -1.768 706 2HG2 ILE 93 2HG2 ILE 93 8.403 -9.186 -0.615 707 3HG2 ILE 93 3HG2 ILE 93 7.278 -8.863 -1.925 708 1HD1 ILE 93 1HD1 ILE 93 10.431 -9.443 0.045 709 2HD1 ILE 93 2HD1 ILE 93 12.088 -9.736 -0.500 710 3HD1 ILE 93 3HD1 ILE 93 11.350 -8.134 -0.728 711 H VAL 94 H VAL 94 7.936 -7.046 -4.732 712 HA VAL 94 HA VAL 94 5.186 -7.832 -4.635 713 HB VAL 94 HB VAL 94 6.603 -5.639 -6.216 714 1HG1 VAL 94 1HG1 VAL 94 3.573 -6.072 -6.005 715 2HG1 VAL 94 2HG1 VAL 94 4.361 -4.584 -6.586 716 3HG1 VAL 94 3HG1 VAL 94 4.528 -6.065 -7.486 717 1HG2 VAL 94 1HG2 VAL 94 4.809 -5.653 -3.752 718 2HG2 VAL 94 2HG2 VAL 94 6.556 -5.406 -3.766 719 3HG2 VAL 94 3HG2 VAL 94 5.500 -4.217 -4.541 720 H HIS 95 H HIS 95 7.509 -7.757 -7.406 721 HA HIS 95 HA HIS 95 5.462 -8.808 -9.184 722 1HB HIS 95 1HB HIS 95 8.476 -8.482 -9.476 723 2HB HIS 95 2HB HIS 95 7.351 -8.850 -10.790 724 HD1 HIS 95 HD1 HIS 95 9.174 -6.110 -10.459 725 HD2 HIS 95 HD2 HIS 95 5.115 -6.585 -9.490 726 HE1 HIS 95 HE1 HIS 95 8.119 -3.850 -10.656 727 H GLY 96 H GLY 96 7.760 -10.188 -7.010 728 1HA GLY 96 1HA GLY 96 8.269 -12.311 -6.419 729 2HA GLY 96 2HA GLY 96 7.780 -12.876 -8.049 730 H CYS 97 H CYS 97 5.649 -11.011 -6.074 731 HA CYS 97 HA CYS 97 4.360 -13.337 -4.800 732 1HB CYS 97 1HB CYS 97 4.276 -10.353 -4.373 733 2HB CYS 97 2HB CYS 97 2.959 -11.359 -3.781 734 H GLU 98 H GLU 98 3.769 -11.006 -7.405 735 HA GLU 98 HA GLU 98 1.097 -11.656 -7.960 736 1HB GLU 98 1HB GLU 98 3.432 -11.253 -9.809 737 2HB GLU 98 2HB GLU 98 1.792 -11.397 -10.377 738 1HG GLU 98 1HG GLU 98 1.211 -9.372 -8.984 739 2HG GLU 98 2HG GLU 98 2.887 -9.272 -8.533 740 H LYS 99 H LYS 99 4.073 -13.579 -8.199 741 HA LYS 99 HA LYS 99 3.018 -15.395 -10.203 742 1HB LYS 99 1HB LYS 99 5.579 -15.829 -8.760 743 2HB LYS 99 2HB LYS 99 5.029 -16.398 -10.351 744 1HG LYS 99 1HG LYS 99 5.688 -13.608 -9.579 745 2HG LYS 99 2HG LYS 99 6.639 -14.653 -10.618 746 1HD LYS 99 1HD LYS 99 3.840 -13.770 -11.289 747 2HD LYS 99 2HD LYS 99 5.264 -12.857 -11.764 748 1HE LYS 99 1HE LYS 99 6.069 -14.706 -13.099 749 2HE LYS 99 2HE LYS 99 4.772 -15.763 -12.516 750 1HZ LYS 99 1HZ LYS 99 4.232 -13.247 -13.973 751 2HZ LYS 99 2HZ LYS 99 4.344 -14.723 -14.723 752 3HZ LYS 99 3HZ LYS 99 3.171 -14.437 -13.626 753 H SER 100 H SER 100 3.935 -15.599 -6.726 754 HA SER 100 HA SER 100 3.134 -18.323 -6.445 755 1HB SER 100 1HB SER 100 3.216 -17.784 -4.008 756 2HB SER 100 2HB SER 100 4.664 -17.416 -4.924 757 HG SER 100 HG SER 100 4.429 -15.624 -3.846 758 H THR 101 H THR 101 1.415 -15.225 -6.265 759 HA THR 101 HA THR 101 -1.003 -16.348 -5.158 760 HB THR 101 HB THR 101 -0.684 -13.712 -6.642 761 HG1 THR 101 HG1 THR 101 0.702 -13.499 -5.077 762 1HG2 THR 101 1HG2 THR 101 -2.642 -14.561 -4.469 763 2HG2 THR 101 2HG2 THR 101 -2.506 -12.949 -5.222 764 3HG2 THR 101 3HG2 THR 101 -3.029 -14.339 -6.189 765 HA PRO 102 HA PRO 102 -2.345 -17.899 -9.201 766 1HB PRO 102 1HB PRO 102 -4.799 -18.879 -8.498 767 2HB PRO 102 2HB PRO 102 -3.256 -19.701 -8.100 768 1HG PRO 102 1HG PRO 102 -4.931 -17.922 -6.321 769 2HG PRO 102 2HG PRO 102 -4.186 -19.498 -5.928 770 1HD PRO 102 1HD PRO 102 -3.096 -17.065 -5.273 771 2HD PRO 102 2HD PRO 102 -2.077 -18.481 -5.650 772 H ALA 103 H ALA 103 -3.441 -16.939 -10.894 773 HA ALA 103 HA ALA 103 -4.411 -14.363 -10.780 774 1HB ALA 103 1HB ALA 103 -4.704 -16.539 -12.885 775 2HB ALA 103 2HB ALA 103 -3.428 -15.298 -12.762 776 3HB ALA 103 3HB ALA 103 -5.091 -14.826 -13.120 777 H ASN 104 H ASN 104 -5.984 -13.960 -9.559 778 HA ASN 104 HA ASN 104 -8.578 -15.389 -9.483 779 1HB ASN 104 1HB ASN 104 -7.415 -13.994 -7.533 780 2HB ASN 104 2HB ASN 104 -8.180 -12.642 -8.284 781 1HD2 ASN 104 1HD2 ASN 104 -8.576 -14.709 -5.784 782 2HD2 ASN 104 2HD2 ASN 104 -10.311 -14.879 -5.884 783 H ASP 105 H ASP 105 -10.544 -14.569 -10.277 784 HA ASP 105 HA ASP 105 -10.771 -12.947 -12.511 785 1HB ASP 105 1HB ASP 105 -12.378 -14.599 -12.097 786 2HB ASP 105 2HB ASP 105 -12.578 -14.122 -10.418 787 H ASP 106 H ASP 106 -10.829 -12.328 -8.985 788 HA ASP 106 HA ASP 106 -11.759 -9.536 -9.480 789 1HB ASP 106 1HB ASP 106 -12.772 -11.037 -7.547 790 2HB ASP 106 2HB ASP 106 -11.271 -10.742 -6.763 791 H LYS 107 H LYS 107 -10.029 -8.141 -9.912 792 HA LYS 107 HA LYS 107 -7.367 -8.771 -9.204 793 1HB LYS 107 1HB LYS 107 -8.805 -6.644 -10.587 794 2HB LYS 107 2HB LYS 107 -7.778 -5.943 -9.386 795 1HG LYS 107 1HG LYS 107 -6.235 -6.036 -11.057 796 2HG LYS 107 2HG LYS 107 -5.928 -7.613 -10.352 797 1HD LYS 107 1HD LYS 107 -6.162 -8.090 -12.660 798 2HD LYS 107 2HD LYS 107 -7.756 -8.476 -12.024 799 1HE LYS 107 1HE LYS 107 -8.111 -7.142 -13.993 800 2HE LYS 107 2HE LYS 107 -8.483 -6.113 -12.596 801 1HZ LYS 107 1HZ LYS 107 -6.265 -5.107 -12.870 802 2HZ LYS 107 2HZ LYS 107 -5.987 -6.042 -14.179 803 3HZ LYS 107 3HZ LYS 107 -7.190 -4.928 -14.198 804 H CYS 108 H CYS 108 -10.037 -7.317 -7.335 805 HA CYS 108 HA CYS 108 -8.433 -6.085 -5.333 806 1HB CYS 108 1HB CYS 108 -11.225 -7.319 -5.146 807 2HB CYS 108 2HB CYS 108 -10.465 -6.286 -3.940 808 H ILE 109 H ILE 109 -9.969 -9.316 -5.409 809 HA ILE 109 HA ILE 109 -8.838 -10.254 -2.943 810 HB ILE 109 HB ILE 109 -10.118 -11.683 -5.347 811 1HG1 ILE 109 1HG1 ILE 109 -11.268 -10.815 -2.657 812 2HG1 ILE 109 2HG1 ILE 109 -11.600 -10.006 -4.167 813 1HG2 ILE 109 1HG2 ILE 109 -8.718 -13.203 -3.965 814 2HG2 ILE 109 2HG2 ILE 109 -9.613 -12.708 -2.511 815 3HG2 ILE 109 3HG2 ILE 109 -10.429 -13.574 -3.842 816 1HD1 ILE 109 1HD1 ILE 109 -12.594 -12.149 -5.064 817 2HD1 ILE 109 2HD1 ILE 109 -12.564 -12.734 -3.376 818 3HD1 ILE 109 3HD1 ILE 109 -13.480 -11.276 -3.799 819 H TRP 110 H TRP 110 -7.777 -10.603 -6.324 820 HA TRP 110 HA TRP 110 -5.438 -12.127 -5.796 821 1HB TRP 110 1HB TRP 110 -6.328 -11.649 -8.042 822 2HB TRP 110 2HB TRP 110 -5.953 -9.953 -7.859 823 HD1 TRP 110 HD1 TRP 110 -4.238 -13.366 -8.224 824 HE1 TRP 110 HE1 TRP 110 -2.013 -13.042 -9.477 825 HE3 TRP 110 HE3 TRP 110 -4.155 -8.262 -8.326 826 HZ2 TRP 110 HZ2 TRP 110 -0.269 -10.777 -10.217 827 HZ3 TRP 110 HZ3 TRP 110 -2.267 -7.060 -9.383 828 HH2 TRP 110 HH2 TRP 110 -0.375 -8.285 -10.333 829 H THR 111 H THR 111 -5.818 -8.517 -5.892 830 HA THR 111 HA THR 111 -3.189 -7.874 -5.271 831 HB THR 111 HB THR 111 -5.813 -6.398 -4.892 832 HG1 THR 111 HG1 THR 111 -5.486 -6.708 -6.926 833 1HG2 THR 111 1HG2 THR 111 -3.045 -5.396 -4.368 834 2HG2 THR 111 2HG2 THR 111 -4.165 -4.349 -5.241 835 3HG2 THR 111 3HG2 THR 111 -4.583 -4.908 -3.616 836 H LEU 112 H LEU 112 -5.876 -8.602 -2.881 837 HA LEU 112 HA LEU 112 -4.276 -7.977 -0.581 838 1HB LEU 112 1HB LEU 112 -6.638 -8.134 -0.473 839 2HB LEU 112 2HB LEU 112 -6.654 -9.792 -1.058 840 HG LEU 112 HG LEU 112 -7.154 -9.354 1.371 841 1HD1 LEU 112 1HD1 LEU 112 -6.524 -11.543 0.427 842 2HD1 LEU 112 2HD1 LEU 112 -4.842 -11.240 0.898 843 3HD1 LEU 112 3HD1 LEU 112 -6.085 -11.344 2.148 844 1HD2 LEU 112 1HD2 LEU 112 -5.429 -7.626 1.776 845 2HD2 LEU 112 2HD2 LEU 112 -5.376 -8.955 2.957 846 3HD2 LEU 112 3HD2 LEU 112 -4.172 -8.870 1.661 847 H GLY 113 H GLY 113 -4.895 -11.005 -2.431 848 1HA GLY 113 1HA GLY 113 -3.543 -12.860 -2.716 849 2HA GLY 113 2HA GLY 113 -3.288 -12.744 -0.964 850 H VAL 114 H VAL 114 -2.243 -10.691 -3.731 851 HA VAL 114 HA VAL 114 0.505 -11.266 -3.750 852 HB VAL 114 HB VAL 114 -0.977 -8.737 -4.528 853 1HG1 VAL 114 1HG1 VAL 114 1.461 -8.261 -4.227 854 2HG1 VAL 114 2HG1 VAL 114 1.831 -9.610 -5.324 855 3HG1 VAL 114 3HG1 VAL 114 0.963 -8.197 -5.925 856 1HG2 VAL 114 1HG2 VAL 114 0.024 -11.122 -6.145 857 2HG2 VAL 114 2HG2 VAL 114 -1.667 -10.738 -5.835 858 3HG2 VAL 114 3HG2 VAL 114 -0.705 -9.654 -6.830 859 H ALA 115 H ALA 115 -1.234 -8.609 -1.918 860 HA ALA 115 HA ALA 115 1.168 -7.670 -0.709 861 1HB ALA 115 1HB ALA 115 -0.778 -6.254 -0.895 862 2HB ALA 115 2HB ALA 115 -0.310 -6.401 0.799 863 3HB ALA 115 3HB ALA 115 -1.711 -7.315 0.191 864 H THR 116 H THR 116 -1.123 -10.211 0.437 865 HA THR 116 HA THR 116 0.039 -10.316 3.092 866 HB THR 116 HB THR 116 -1.110 -12.721 1.667 867 HG1 THR 116 HG1 THR 116 -2.420 -10.416 2.249 868 1HG2 THR 116 1HG2 THR 116 -0.188 -13.035 3.957 869 2HG2 THR 116 2HG2 THR 116 -1.277 -11.775 4.564 870 3HG2 THR 116 3HG2 THR 116 -1.935 -13.291 3.927 871 H CYS 117 H CYS 117 0.746 -11.909 -0.039 872 HA CYS 117 HA CYS 117 2.938 -13.505 0.846 873 1HB CYS 117 1HB CYS 117 1.928 -13.972 -1.225 874 2HB CYS 117 2HB CYS 117 2.126 -12.341 -1.829 875 H PHE 118 H PHE 118 2.861 -10.049 -0.518 876 HA PHE 118 HA PHE 118 5.537 -9.633 -0.417 877 1HB PHE 118 1HB PHE 118 3.893 -8.079 -1.345 878 2HB PHE 118 2HB PHE 118 3.281 -7.702 0.265 879 HD1 PHE 118 HD1 PHE 118 6.850 -8.028 0.312 880 HD2 PHE 118 HD2 PHE 118 3.710 -5.277 -0.686 881 HE1 PHE 118 HE1 PHE 118 8.442 -6.223 0.370 882 HE2 PHE 118 HE2 PHE 118 5.330 -3.402 -0.462 883 HZ PHE 118 HZ PHE 118 7.650 -3.850 0.123 884 H LYS 119 H LYS 119 3.373 -8.692 2.217 885 HA LYS 119 HA LYS 119 4.988 -8.081 4.299 886 1HB LYS 119 1HB LYS 119 2.439 -8.464 4.291 887 2HB LYS 119 2HB LYS 119 2.731 -10.107 4.736 888 1HG LYS 119 1HG LYS 119 3.996 -9.504 6.708 889 2HG LYS 119 2HG LYS 119 3.902 -7.781 6.319 890 1HD LYS 119 1HD LYS 119 1.573 -7.699 6.781 891 2HD LYS 119 2HD LYS 119 1.438 -9.475 6.832 892 1HE LYS 119 1HE LYS 119 2.652 -9.635 8.873 893 2HE LYS 119 2HE LYS 119 3.335 -8.012 8.686 894 1HZ LYS 119 1HZ LYS 119 0.464 -8.399 9.114 895 2HZ LYS 119 2HZ LYS 119 1.528 -8.239 10.357 896 3HZ LYS 119 3HZ LYS 119 1.398 -7.020 9.274 897 H ALA 120 H ALA 120 3.986 -11.318 3.662 898 HA ALA 120 HA ALA 120 5.562 -12.694 5.575 899 1HB ALA 120 1HB ALA 120 5.219 -14.724 4.332 900 2HB ALA 120 2HB ALA 120 3.744 -13.756 4.206 901 3HB ALA 120 3HB ALA 120 4.879 -13.838 2.837 902 H GLU 121 H GLU 121 6.611 -11.928 2.161 903 HA GLU 121 HA GLU 121 9.275 -12.945 2.564 904 1HB GLU 121 1HB GLU 121 8.034 -10.991 0.628 905 2HB GLU 121 2HB GLU 121 9.744 -11.373 0.589 906 1HG GLU 121 1HG GLU 121 7.591 -13.506 0.320 907 2HG GLU 121 2HG GLU 121 8.279 -12.599 -1.028 908 H ILE 122 H ILE 122 7.837 -9.681 3.214 909 HA ILE 122 HA ILE 122 10.288 -8.400 3.818 910 HB ILE 122 HB ILE 122 7.649 -7.938 5.237 911 1HG1 ILE 122 1HG1 ILE 122 8.730 -6.579 2.759 912 2HG1 ILE 122 2HG1 ILE 122 7.396 -7.701 2.810 913 1HG2 ILE 122 1HG2 ILE 122 9.665 -6.944 6.380 914 2HG2 ILE 122 2HG2 ILE 122 9.966 -6.031 4.890 915 3HG2 ILE 122 3HG2 ILE 122 8.487 -5.761 5.835 916 1HD1 ILE 122 1HD1 ILE 122 6.184 -6.125 4.398 917 2HD1 ILE 122 2HD1 ILE 122 7.419 -4.918 3.986 918 3HD1 ILE 122 3HD1 ILE 122 6.366 -5.577 2.728 919 H HIS 123 H HIS 123 8.204 -10.501 5.850 920 HA HIS 123 HA HIS 123 9.770 -10.310 8.227 921 1HB HIS 123 1HB HIS 123 7.347 -11.192 7.748 922 2HB HIS 123 2HB HIS 123 8.143 -12.723 7.437 923 HD1 HIS 123 HD1 HIS 123 7.404 -14.075 9.539 924 HD2 HIS 123 HD2 HIS 123 8.857 -10.213 10.377 925 HE1 HIS 123 HE1 HIS 123 7.613 -13.912 12.085 926 H LYS 124 H LYS 124 10.507 -11.823 5.290 927 HA LYS 124 HA LYS 124 12.538 -13.669 6.470 928 1HB LYS 124 1HB LYS 124 11.469 -13.407 3.633 929 2HB LYS 124 2HB LYS 124 12.718 -14.543 4.140 930 1HG LYS 124 1HG LYS 124 11.178 -15.743 5.567 931 2HG LYS 124 2HG LYS 124 9.917 -14.531 5.328 932 1HD LYS 124 1HD LYS 124 9.391 -16.416 3.972 933 2HD LYS 124 2HD LYS 124 9.813 -15.083 2.910 934 1HE LYS 124 1HE LYS 124 12.167 -16.714 3.593 935 2HE LYS 124 2HE LYS 124 10.866 -17.718 2.960 936 1HZ LYS 124 1HZ LYS 124 10.777 -16.133 1.033 937 2HZ LYS 124 2HZ LYS 124 12.167 -15.458 1.580 938 3HZ LYS 124 3HZ LYS 124 12.165 -17.024 1.159 939 H LEU 125 H LEU 125 12.468 -10.420 5.594 940 HA LEU 125 HA LEU 125 15.014 -10.321 4.137 941 1HB LEU 125 1HB LEU 125 13.326 -8.238 5.591 942 2HB LEU 125 2HB LEU 125 14.851 -7.835 4.866 943 HG LEU 125 HG LEU 125 12.644 -9.093 3.212 944 1HD1 LEU 125 1HD1 LEU 125 11.986 -6.843 4.288 945 2HD1 LEU 125 2HD1 LEU 125 13.228 -6.140 3.224 946 3HD1 LEU 125 3HD1 LEU 125 11.866 -7.021 2.525 947 1HD2 LEU 125 1HD2 LEU 125 15.250 -7.605 2.663 948 2HD2 LEU 125 2HD2 LEU 125 14.821 -9.235 2.151 949 3HD2 LEU 125 3HD2 LEU 125 14.017 -7.843 1.404 950 H ASN 126 H ASN 126 16.858 -9.179 5.097 951 HA ASN 126 HA ASN 126 17.139 -9.628 8.042 952 1HB ASN 126 1HB ASN 126 18.811 -10.746 6.648 953 2HB ASN 126 2HB ASN 126 19.356 -9.179 6.029 954 1HD2 ASN 126 1HD2 ASN 126 21.338 -8.726 7.095 955 2HD2 ASN 126 2HD2 ASN 126 21.592 -9.034 8.809 956 H TRP 127 H TRP 127 15.799 -7.312 6.424 957 HA TRP 127 HA TRP 127 16.662 -5.406 8.441 958 1HB TRP 127 1HB TRP 127 16.657 -3.507 6.983 959 2HB TRP 127 2HB TRP 127 17.901 -4.615 6.497 960 HD1 TRP 127 HD1 TRP 127 16.998 -6.299 4.282 961 HE1 TRP 127 HE1 TRP 127 15.740 -5.558 2.195 962 HE3 TRP 127 HE3 TRP 127 15.351 -1.722 5.903 963 HZ2 TRP 127 HZ2 TRP 127 13.877 -3.449 1.490 964 HZ3 TRP 127 HZ3 TRP 127 13.828 -0.373 4.508 965 HH2 TRP 127 HH2 TRP 127 13.058 -1.241 2.303 966 H ALA 128 H ALA 128 14.792 -3.415 7.921 967 HA ALA 128 HA ALA 128 12.186 -4.760 7.732 968 1HB ALA 128 1HB ALA 128 13.089 -3.258 10.236 969 2HB ALA 128 2HB ALA 128 12.758 -4.999 10.111 970 3HB ALA 128 3HB ALA 128 11.437 -3.836 9.904 971 HA PRO 129 HA PRO 129 11.869 -0.687 5.819 972 1HB PRO 129 1HB PRO 129 9.562 -0.965 4.460 973 2HB PRO 129 2HB PRO 129 10.939 -2.033 4.129 974 1HG PRO 129 1HG PRO 129 8.501 -2.597 5.840 975 2HG PRO 129 2HG PRO 129 9.287 -3.635 4.606 976 1HD PRO 129 1HD PRO 129 9.748 -3.741 7.390 977 2HD PRO 129 2HD PRO 129 10.808 -4.413 6.164 978 H SER 130 H SER 130 10.344 1.297 5.898 979 HA SER 130 HA SER 130 8.687 1.440 8.309 980 1HB SER 130 1HB SER 130 8.608 3.451 6.093 981 2HB SER 130 2HB SER 130 8.547 3.705 7.845 982 HG SER 130 HG SER 130 10.578 4.398 7.139 983 H MET 131 H MET 131 6.312 1.507 8.112 984 HA MET 131 HA MET 131 5.005 0.126 6.045 985 1HB MET 131 1HB MET 131 4.238 1.999 8.242 986 2HB MET 131 2HB MET 131 3.100 1.920 6.902 987 1HG MET 131 1HG MET 131 4.148 -0.629 8.131 988 2HG MET 131 2HG MET 131 2.845 0.297 8.855 989 1HE MET 131 1HE MET 131 3.228 -2.776 7.235 990 2HE MET 131 2HE MET 131 2.327 -2.799 5.700 991 3HE MET 131 3HE MET 131 3.883 -1.940 5.801 992 H ASP 132 H ASP 132 5.608 3.664 6.391 993 HA ASP 132 HA ASP 132 4.281 4.613 4.237 994 1HB ASP 132 1HB ASP 132 6.969 5.439 5.354 995 2HB ASP 132 2HB ASP 132 6.194 6.309 4.032 996 H VAL 133 H VAL 133 7.481 3.011 4.148 997 HA VAL 133 HA VAL 133 7.804 3.241 1.274 998 HB VAL 133 HB VAL 133 9.245 1.637 3.431 999 1HG1 VAL 133 1HG1 VAL 133 9.822 1.699 0.442 1000 2HG1 VAL 133 2HG1 VAL 133 10.992 1.173 1.690 1001 3HG1 VAL 133 3HG1 VAL 133 9.495 0.296 1.457 1002 1HG2 VAL 133 1HG2 VAL 133 9.633 4.048 3.536 1003 2HG2 VAL 133 2HG2 VAL 133 11.096 3.219 3.008 1004 3HG2 VAL 133 3HG2 VAL 133 10.098 4.083 1.826 1005 H ALA 134 H ALA 134 7.244 0.394 3.488 1006 HA ALA 134 HA ALA 134 6.959 -1.389 1.306 1007 1HB ALA 134 1HB ALA 134 7.625 -2.083 3.556 1008 2HB ALA 134 2HB ALA 134 6.001 -1.675 4.185 1009 3HB ALA 134 3HB ALA 134 6.211 -2.996 3.005 1010 H VAL 135 H VAL 135 4.601 0.794 2.460 1011 HA VAL 135 HA VAL 135 2.487 -0.674 0.944 1012 HB VAL 135 HB VAL 135 2.350 1.862 2.598 1013 1HG1 VAL 135 1HG1 VAL 135 0.242 0.311 1.073 1014 2HG1 VAL 135 2HG1 VAL 135 -0.107 1.647 2.215 1015 3HG1 VAL 135 3HG1 VAL 135 0.790 1.972 0.757 1016 1HG2 VAL 135 1HG2 VAL 135 1.320 -0.953 3.186 1017 2HG2 VAL 135 2HG2 VAL 135 2.609 -0.097 4.049 1018 3HG2 VAL 135 3HG2 VAL 135 0.976 0.506 4.171 1019 H GLY 136 H GLY 136 4.374 2.407 0.981 1020 1HA GLY 136 1HA GLY 136 4.686 4.015 -0.563 1021 2HA GLY 136 2HA GLY 136 3.048 3.740 -1.095 1022 H GLU 137 H GLU 137 5.697 1.280 -1.240 1023 HA GLU 137 HA GLU 137 6.155 1.760 -4.069 1024 1HB GLU 137 1HB GLU 137 6.982 -0.563 -2.387 1025 2HB GLU 137 2HB GLU 137 7.675 -0.060 -3.921 1026 1HG GLU 137 1HG GLU 137 8.067 2.229 -2.439 1027 2HG GLU 137 2HG GLU 137 7.996 1.087 -1.142 1028 H ILE 138 H ILE 138 4.723 -1.088 -2.180 1029 HA ILE 138 HA ILE 138 4.097 -2.362 -4.572 1030 HB ILE 138 HB ILE 138 4.109 -3.570 -2.476 1031 1HG1 ILE 138 1HG1 ILE 138 1.313 -3.760 -3.644 1032 2HG1 ILE 138 2HG1 ILE 138 2.743 -4.432 -4.402 1033 1HG2 ILE 138 1HG2 ILE 138 3.144 -1.838 -1.001 1034 2HG2 ILE 138 2HG2 ILE 138 1.542 -2.089 -1.725 1035 3HG2 ILE 138 3HG2 ILE 138 2.320 -3.368 -0.770 1036 1HD1 ILE 138 1HD1 ILE 138 1.654 -5.317 -1.689 1037 2HD1 ILE 138 2HD1 ILE 138 1.363 -6.133 -3.222 1038 3HD1 ILE 138 3HD1 ILE 138 2.988 -6.080 -2.573 1039 H LEU 139 H LEU 139 2.543 0.329 -3.064 1040 HA LEU 139 HA LEU 139 0.111 0.332 -4.709 1041 1HB LEU 139 1HB LEU 139 1.572 2.441 -3.099 1042 2HB LEU 139 2HB LEU 139 0.169 2.766 -4.044 1043 HG LEU 139 HG LEU 139 0.311 0.991 -1.568 1044 1HD1 LEU 139 1HD1 LEU 139 0.231 3.464 -1.290 1045 2HD1 LEU 139 2HD1 LEU 139 -1.305 3.480 -2.185 1046 3HD1 LEU 139 3HD1 LEU 139 -1.200 2.620 -0.636 1047 1HD2 LEU 139 1HD2 LEU 139 -1.953 1.317 -3.507 1048 2HD2 LEU 139 2HD2 LEU 139 -1.216 -0.175 -2.915 1049 3HD2 LEU 139 3HD2 LEU 139 -2.200 0.812 -1.835 1050 H ALA 140 H ALA 140 3.331 1.953 -4.853 1051 HA ALA 140 HA ALA 140 2.859 3.276 -7.305 1052 1HB ALA 140 1HB ALA 140 4.818 3.743 -5.882 1053 2HB ALA 140 2HB ALA 140 5.505 2.149 -6.297 1054 3HB ALA 140 3HB ALA 140 5.294 3.372 -7.548 1055 H GLU 141 H GLU 141 3.026 -0.178 -6.778 1056 HA GLU 141 HA GLU 141 3.892 -0.733 -9.536 1057 1HB GLU 141 1HB GLU 141 3.902 -2.241 -6.889 1058 2HB GLU 141 2HB GLU 141 4.372 -2.958 -8.437 1059 1HG GLU 141 1HG GLU 141 6.136 -1.367 -8.754 1060 2HG GLU 141 2HG GLU 141 5.686 -0.431 -7.345 1061 H VAL 142 H VAL 142 1.690 -2.283 -7.158 1062 HA VAL 142 HA VAL 142 0.677 -4.089 -9.011 1063 HB VAL 142 HB VAL 142 -0.084 -3.193 -6.304 1064 1HG1 VAL 142 1HG1 VAL 142 -1.841 -5.043 -7.910 1065 2HG1 VAL 142 2HG1 VAL 142 -1.835 -4.965 -6.132 1066 3HG1 VAL 142 3HG1 VAL 142 -2.297 -3.519 -7.069 1067 1HG2 VAL 142 1HG2 VAL 142 1.771 -4.735 -6.627 1068 2HG2 VAL 142 2HG2 VAL 142 0.465 -5.507 -5.716 1069 3HG2 VAL 142 3HG2 VAL 142 0.697 -5.886 -7.434 No H/Q in entry = 1069 Start of MODEL 16 1 H SER 1 H SER 1 10.799 2.450 25.828 2 HA SER 1 HA SER 1 8.881 2.713 24.448 3 1HB SER 1 1HB SER 1 9.494 5.681 24.393 4 2HB SER 1 2HB SER 1 8.088 4.847 23.710 5 HG SER 1 HG SER 1 7.607 5.765 25.679 6 H GLN 2 H GLN 2 12.179 3.527 24.188 7 HA GLN 2 HA GLN 2 13.623 3.801 22.631 8 1HB GLN 2 1HB GLN 2 12.078 2.039 20.746 9 2HB GLN 2 2HB GLN 2 13.818 2.204 21.050 10 1HG GLN 2 1HG GLN 2 13.537 1.061 23.216 11 2HG GLN 2 2HG GLN 2 11.818 0.864 22.842 12 1HE2 GLN 2 1HE2 GLN 2 11.365 -1.126 22.239 13 2HE2 GLN 2 2HE2 GLN 2 12.425 -2.252 21.435 14 H GLU 3 H GLU 3 13.714 3.968 19.883 15 HA GLU 3 HA GLU 3 12.035 6.284 19.179 16 1HB GLU 3 1HB GLU 3 14.861 5.938 19.407 17 2HB GLU 3 2HB GLU 3 14.526 6.030 17.692 18 1HG GLU 3 1HG GLU 3 13.345 8.173 18.094 19 2HG GLU 3 2HG GLU 3 13.676 7.983 19.835 20 H VAL 4 H VAL 4 11.107 3.740 18.878 21 HA VAL 4 HA VAL 4 10.583 3.708 15.980 22 HB VAL 4 HB VAL 4 11.408 1.211 17.502 23 1HG1 VAL 4 1HG1 VAL 4 10.171 1.434 14.717 24 2HG1 VAL 4 2HG1 VAL 4 10.919 -0.029 15.386 25 3HG1 VAL 4 3HG1 VAL 4 9.454 0.620 16.116 26 1HG2 VAL 4 1HG2 VAL 4 13.260 2.617 16.453 27 2HG2 VAL 4 2HG2 VAL 4 13.108 0.986 15.756 28 3HG2 VAL 4 3HG2 VAL 4 12.467 2.399 14.903 29 H MET 5 H MET 5 8.861 4.951 16.878 30 HA MET 5 HA MET 5 6.583 3.245 17.499 31 1HB MET 5 1HB MET 5 5.866 4.626 19.290 32 2HB MET 5 2HB MET 5 7.605 4.358 19.542 33 1HG MET 5 1HG MET 5 8.131 6.565 18.672 34 2HG MET 5 2HG MET 5 6.434 6.875 18.321 35 1HE MET 5 1HE MET 5 6.102 9.039 19.524 36 2HE MET 5 2HE MET 5 6.707 9.388 21.154 37 3HE MET 5 3HE MET 5 7.853 9.088 19.832 38 H LYS 6 H LYS 6 7.737 4.709 15.079 39 HA LYS 6 HA LYS 6 5.956 6.908 14.494 40 1HB LYS 6 1HB LYS 6 7.603 5.154 12.637 41 2HB LYS 6 2HB LYS 6 6.646 6.516 12.146 42 1HG LYS 6 1HG LYS 6 8.185 7.675 14.142 43 2HG LYS 6 2HG LYS 6 9.294 6.491 13.435 44 1HD LYS 6 1HD LYS 6 8.779 7.435 11.172 45 2HD LYS 6 2HD LYS 6 7.723 8.631 11.951 46 1HE LYS 6 1HE LYS 6 9.737 9.482 13.228 47 2HE LYS 6 2HE LYS 6 10.731 8.363 12.279 48 1HZ LYS 6 1HZ LYS 6 9.797 9.517 10.274 49 2HZ LYS 6 2HZ LYS 6 9.179 10.675 11.247 50 3HZ LYS 6 3HZ LYS 6 10.793 10.460 11.187 51 H ASN 7 H ASN 7 4.429 6.779 12.708 52 HA ASN 7 HA ASN 7 2.890 4.270 12.507 53 1HB ASN 7 1HB ASN 7 2.159 5.618 14.566 54 2HB ASN 7 2HB ASN 7 1.608 6.879 13.451 55 1HD2 ASN 7 1HD2 ASN 7 -0.485 6.583 12.526 56 2HD2 ASN 7 2HD2 ASN 7 -1.295 4.993 12.596 57 H LEU 8 H LEU 8 1.031 4.731 10.899 58 HA LEU 8 HA LEU 8 2.163 5.325 8.448 59 1HB LEU 8 1HB LEU 8 0.278 3.915 8.750 60 2HB LEU 8 2HB LEU 8 -0.707 5.194 9.442 61 HG LEU 8 HG LEU 8 -1.212 4.401 7.114 62 1HD1 LEU 8 1HD1 LEU 8 -1.938 6.612 8.206 63 2HD1 LEU 8 2HD1 LEU 8 -0.719 7.361 7.157 64 3HD1 LEU 8 3HD1 LEU 8 -2.072 6.496 6.472 65 1HD2 LEU 8 1HD2 LEU 8 1.321 4.496 6.456 66 2HD2 LEU 8 2HD2 LEU 8 0.100 4.879 5.284 67 3HD2 LEU 8 3HD2 LEU 8 0.977 6.193 6.061 68 H SER 9 H SER 9 2.912 7.140 7.602 69 HA SER 9 HA SER 9 1.970 9.775 8.557 70 1HB SER 9 1HB SER 9 4.488 8.565 7.817 71 2HB SER 9 2HB SER 9 4.178 9.877 6.699 72 HG SER 9 HG SER 9 5.006 9.948 9.197 73 H LEU 10 H LEU 10 1.879 7.842 5.635 74 HA LEU 10 HA LEU 10 1.246 9.897 3.843 75 1HB LEU 10 1HB LEU 10 0.752 6.953 3.887 76 2HB LEU 10 2HB LEU 10 0.058 7.942 2.589 77 HG LEU 10 HG LEU 10 2.976 7.307 3.096 78 1HD1 LEU 10 1HD1 LEU 10 1.085 6.709 0.878 79 2HD1 LEU 10 2HD1 LEU 10 2.848 6.685 0.660 80 3HD1 LEU 10 3HD1 LEU 10 2.108 5.629 1.843 81 1HD2 LEU 10 1HD2 LEU 10 1.762 9.589 1.474 82 2HD2 LEU 10 2HD2 LEU 10 3.126 9.636 2.594 83 3HD2 LEU 10 3HD2 LEU 10 3.305 8.871 1.015 84 H ASN 11 H ASN 11 -0.787 10.504 2.824 85 HA ASN 11 HA ASN 11 -2.882 10.840 4.800 86 1HB ASN 11 1HB ASN 11 -2.060 12.618 3.206 87 2HB ASN 11 2HB ASN 11 -2.925 11.769 1.933 88 1HD2 ASN 11 1HD2 ASN 11 -3.672 14.365 2.485 89 2HD2 ASN 11 2HD2 ASN 11 -5.144 14.420 3.426 90 H PHE 12 H PHE 12 -3.088 8.334 4.694 91 HA PHE 12 HA PHE 12 -4.581 7.250 2.501 92 1HB PHE 12 1HB PHE 12 -3.830 6.294 5.251 93 2HB PHE 12 2HB PHE 12 -5.040 5.438 4.341 94 HD1 PHE 12 HD1 PHE 12 -1.454 6.236 4.462 95 HD2 PHE 12 HD2 PHE 12 -4.615 4.556 2.077 96 HE1 PHE 12 HE1 PHE 12 0.245 5.186 2.936 97 HE2 PHE 12 HE2 PHE 12 -2.922 3.627 0.512 98 HZ PHE 12 HZ PHE 12 -0.488 3.961 0.972 99 H GLY 13 H GLY 13 -5.671 8.776 5.581 100 1HA GLY 13 1HA GLY 13 -7.782 9.439 6.193 101 2HA GLY 13 2HA GLY 13 -8.265 7.822 5.651 102 H LYS 14 H LYS 14 -7.239 10.860 3.938 103 HA LYS 14 HA LYS 14 -9.793 11.306 2.713 104 1HB LYS 14 1HB LYS 14 -6.941 12.167 2.222 105 2HB LYS 14 2HB LYS 14 -8.085 12.469 0.950 106 1HG LYS 14 1HG LYS 14 -8.737 13.370 3.776 107 2HG LYS 14 2HG LYS 14 -7.576 14.287 2.822 108 1HD LYS 14 1HD LYS 14 -10.439 13.726 1.944 109 2HD LYS 14 2HD LYS 14 -9.851 15.226 2.685 110 1HE LYS 14 1HE LYS 14 -8.139 15.355 0.774 111 2HE LYS 14 2HE LYS 14 -9.042 14.056 -0.012 112 1HZ LYS 14 1HZ LYS 14 -11.017 15.588 0.087 113 2HZ LYS 14 2HZ LYS 14 -9.980 16.778 0.600 114 3HZ LYS 14 3HZ LYS 14 -9.792 16.098 -0.859 115 H ALA 15 H ALA 15 -6.858 9.658 1.375 116 HA ALA 15 HA ALA 15 -7.965 9.175 -1.196 117 1HB ALA 15 1HB ALA 15 -6.006 7.398 0.340 118 2HB ALA 15 2HB ALA 15 -6.211 7.559 -1.423 119 3HB ALA 15 3HB ALA 15 -5.556 8.908 -0.474 120 H LEU 16 H LEU 16 -8.148 7.141 1.789 121 HA LEU 16 HA LEU 16 -9.650 4.978 0.660 122 1HB LEU 16 1HB LEU 16 -9.224 6.041 3.471 123 2HB LEU 16 2HB LEU 16 -10.378 4.755 3.176 124 HG LEU 16 HG LEU 16 -7.554 4.481 2.111 125 1HD1 LEU 16 1HD1 LEU 16 -7.335 4.966 4.543 126 2HD1 LEU 16 2HD1 LEU 16 -8.456 3.622 4.884 127 3HD1 LEU 16 3HD1 LEU 16 -6.902 3.293 4.084 128 1HD2 LEU 16 1HD2 LEU 16 -9.420 2.794 1.533 129 2HD2 LEU 16 2HD2 LEU 16 -7.969 2.108 2.309 130 3HD2 LEU 16 3HD2 LEU 16 -9.425 2.351 3.253 131 H ASP 17 H ASP 17 -10.633 7.984 2.436 132 HA ASP 17 HA ASP 17 -13.401 7.522 2.355 133 1HB ASP 17 1HB ASP 17 -12.189 9.462 3.596 134 2HB ASP 17 2HB ASP 17 -12.071 10.257 2.047 135 H GLU 18 H GLU 18 -11.293 8.814 -0.207 136 HA GLU 18 HA GLU 18 -13.656 9.449 -1.854 137 1HB GLU 18 1HB GLU 18 -10.739 9.367 -2.781 138 2HB GLU 18 2HB GLU 18 -12.131 10.137 -3.540 139 1HG GLU 18 1HG GLU 18 -12.005 11.310 -0.957 140 2HG GLU 18 2HG GLU 18 -10.364 11.228 -1.533 141 H CYS 19 H CYS 19 -11.150 6.903 -1.784 142 HA CYS 19 HA CYS 19 -11.987 5.495 -4.096 143 1HB CYS 19 1HB CYS 19 -9.877 5.073 -2.835 144 2HB CYS 19 2HB CYS 19 -10.822 4.412 -1.507 145 H LYS 20 H LYS 20 -12.926 5.094 -0.676 146 HA LYS 20 HA LYS 20 -14.707 2.921 -1.051 147 1HB LYS 20 1HB LYS 20 -15.490 3.299 1.160 148 2HB LYS 20 2HB LYS 20 -13.791 3.754 1.138 149 1HG LYS 20 1HG LYS 20 -14.554 5.495 2.334 150 2HG LYS 20 2HG LYS 20 -14.662 6.154 0.715 151 1HD LYS 20 1HD LYS 20 -16.643 6.814 1.799 152 2HD LYS 20 2HD LYS 20 -17.155 5.527 0.730 153 1HE LYS 20 1HE LYS 20 -18.109 4.623 2.615 154 2HE LYS 20 2HE LYS 20 -16.482 4.103 3.030 155 1HZ LYS 20 1HZ LYS 20 -16.262 6.184 4.316 156 2HZ LYS 20 2HZ LYS 20 -17.848 6.562 3.959 157 3HZ LYS 20 3HZ LYS 20 -17.490 5.272 4.847 158 H LYS 21 H LYS 21 -15.142 6.327 -1.978 159 HA LYS 21 HA LYS 21 -17.997 5.901 -2.319 160 1HB LYS 21 1HB LYS 21 -16.196 8.282 -2.865 161 2HB LYS 21 2HB LYS 21 -17.960 8.269 -3.030 162 1HG LYS 21 1HG LYS 21 -18.157 7.601 -0.611 163 2HG LYS 21 2HG LYS 21 -16.442 7.604 -0.478 164 1HD LYS 21 1HD LYS 21 -16.315 10.025 -0.912 165 2HD LYS 21 2HD LYS 21 -18.104 10.085 -0.987 166 1HE LYS 21 1HE LYS 21 -18.279 9.211 1.277 167 2HE LYS 21 2HE LYS 21 -16.545 8.841 1.334 168 1HZ LYS 21 1HZ LYS 21 -17.622 11.586 1.248 169 2HZ LYS 21 2HZ LYS 21 -17.107 10.732 2.592 170 3HZ LYS 21 3HZ LYS 21 -16.024 11.077 1.471 171 H GLU 22 H GLU 22 -15.028 5.893 -4.221 172 HA GLU 22 HA GLU 22 -16.281 5.799 -6.828 173 1HB GLU 22 1HB GLU 22 -13.536 4.855 -5.915 174 2HB GLU 22 2HB GLU 22 -14.129 4.760 -7.577 175 1HG GLU 22 1HG GLU 22 -14.595 7.265 -7.475 176 2HG GLU 22 2HG GLU 22 -13.733 7.271 -5.926 177 H MET 23 H MET 23 -14.803 3.086 -4.889 178 HA MET 23 HA MET 23 -16.046 1.214 -6.747 179 1HB MET 23 1HB MET 23 -15.006 0.082 -4.250 180 2HB MET 23 2HB MET 23 -14.718 -0.380 -5.896 181 1HG MET 23 1HG MET 23 -13.132 1.748 -5.924 182 2HG MET 23 2HG MET 23 -13.249 1.535 -4.158 183 1HE MET 23 1HE MET 23 -11.661 0.396 -7.464 184 2HE MET 23 2HE MET 23 -11.097 -1.257 -7.130 185 3HE MET 23 3HE MET 23 -12.834 -0.934 -7.315 186 H THR 24 H THR 24 -17.166 2.867 -4.062 187 HA THR 24 HA THR 24 -18.516 2.513 -2.340 188 HB THR 24 HB THR 24 -20.173 0.949 -4.295 189 HG1 THR 24 HG1 THR 24 -20.814 2.959 -4.910 190 1HG2 THR 24 1HG2 THR 24 -20.726 2.501 -1.724 191 2HG2 THR 24 2HG2 THR 24 -21.995 1.969 -2.846 192 3HG2 THR 24 3HG2 THR 24 -21.019 0.779 -1.971 193 H LEU 25 H LEU 25 -16.553 1.449 -1.630 194 HA LEU 25 HA LEU 25 -16.732 -1.457 -1.033 195 1HB LEU 25 1HB LEU 25 -14.814 0.532 0.230 196 2HB LEU 25 2HB LEU 25 -14.731 -1.208 0.253 197 HG LEU 25 HG LEU 25 -14.294 0.491 -2.248 198 1HD1 LEU 25 1HD1 LEU 25 -12.493 0.768 -0.569 199 2HD1 LEU 25 2HD1 LEU 25 -12.284 -1.010 -0.506 200 3HD1 LEU 25 3HD1 LEU 25 -11.932 -0.124 -2.005 201 1HD2 LEU 25 1HD2 LEU 25 -15.146 -1.804 -2.748 202 2HD2 LEU 25 2HD2 LEU 25 -13.472 -1.585 -3.279 203 3HD2 LEU 25 3HD2 LEU 25 -13.816 -2.503 -1.781 204 H THR 26 H THR 26 -16.344 -1.741 1.532 205 HA THR 26 HA THR 26 -18.829 -0.931 2.726 206 HB THR 26 HB THR 26 -17.583 -2.171 4.709 207 HG1 THR 26 HG1 THR 26 -15.848 -3.407 4.070 208 1HG2 THR 26 1HG2 THR 26 -19.432 -3.073 3.307 209 2HG2 THR 26 2HG2 THR 26 -18.241 -3.637 2.111 210 3HG2 THR 26 3HG2 THR 26 -18.255 -4.316 3.751 211 H ASP 27 H ASP 27 -18.939 0.191 4.903 212 HA ASP 27 HA ASP 27 -17.323 2.590 4.869 213 1HB ASP 27 1HB ASP 27 -19.681 2.403 5.794 214 2HB ASP 27 2HB ASP 27 -18.994 1.566 7.199 215 H ALA 28 H ALA 28 -17.221 -0.451 6.547 216 HA ALA 28 HA ALA 28 -15.461 0.169 8.651 217 1HB ALA 28 1HB ALA 28 -17.075 -1.757 8.472 218 2HB ALA 28 2HB ALA 28 -15.438 -2.241 9.008 219 3HB ALA 28 3HB ALA 28 -15.955 -2.529 7.333 220 H ILE 29 H ILE 29 -14.669 -0.166 5.317 221 HA ILE 29 HA ILE 29 -12.010 -1.117 5.334 222 HB ILE 29 HB ILE 29 -11.621 0.044 3.365 223 1HG1 ILE 29 1HG1 ILE 29 -13.777 1.388 2.445 224 2HG1 ILE 29 2HG1 ILE 29 -13.997 1.725 4.179 225 1HG2 ILE 29 1HG2 ILE 29 -13.045 -2.042 3.412 226 2HG2 ILE 29 2HG2 ILE 29 -14.465 -0.961 3.245 227 3HG2 ILE 29 3HG2 ILE 29 -13.195 -0.992 1.979 228 1HD1 ILE 29 1HD1 ILE 29 -11.479 2.302 4.144 229 2HD1 ILE 29 2HD1 ILE 29 -11.653 2.343 2.389 230 3HD1 ILE 29 3HD1 ILE 29 -12.598 3.474 3.401 231 H ASN 30 H ASN 30 -13.300 1.845 6.530 232 HA ASN 30 HA ASN 30 -11.106 3.473 6.664 233 1HB ASN 30 1HB ASN 30 -13.436 3.945 7.218 234 2HB ASN 30 2HB ASN 30 -13.264 3.134 8.783 235 1HD2 ASN 30 1HD2 ASN 30 -13.659 6.085 7.608 236 2HD2 ASN 30 2HD2 ASN 30 -12.569 7.032 8.601 237 H GLU 31 H GLU 31 -11.896 0.851 8.886 238 HA GLU 31 HA GLU 31 -9.255 1.271 10.236 239 1HB GLU 31 1HB GLU 31 -11.700 -0.041 11.443 240 2HB GLU 31 2HB GLU 31 -10.120 0.187 12.219 241 1HG GLU 31 1HG GLU 31 -10.470 2.723 11.654 242 2HG GLU 31 2HG GLU 31 -12.155 2.268 11.459 243 H ASP 32 H ASP 32 -11.336 -1.111 8.608 244 HA ASP 32 HA ASP 32 -9.926 -3.477 9.234 245 1HB ASP 32 1HB ASP 32 -11.327 -2.585 6.697 246 2HB ASP 32 2HB ASP 32 -10.460 -4.106 6.744 247 H PHE 33 H PHE 33 -9.242 -0.943 6.872 248 HA PHE 33 HA PHE 33 -7.090 -2.197 5.515 249 1HB PHE 33 1HB PHE 33 -8.459 -0.227 4.793 250 2HB PHE 33 2HB PHE 33 -7.651 0.758 5.992 251 HD1 PHE 33 HD1 PHE 33 -5.533 1.773 5.520 252 HD2 PHE 33 HD2 PHE 33 -7.128 -1.240 2.884 253 HE1 PHE 33 HE1 PHE 33 -3.851 2.375 3.801 254 HE2 PHE 33 HE2 PHE 33 -5.397 -0.674 1.201 255 HZ PHE 33 HZ PHE 33 -3.731 1.113 1.673 256 H TYR 34 H TYR 34 -7.186 -0.154 8.394 257 HA TYR 34 HA TYR 34 -4.277 0.011 8.659 258 1HB TYR 34 1HB TYR 34 -6.543 0.820 10.511 259 2HB TYR 34 2HB TYR 34 -4.836 1.011 10.880 260 HD1 TYR 34 HD1 TYR 34 -3.850 3.072 10.459 261 HD2 TYR 34 HD2 TYR 34 -7.260 1.922 8.103 262 HE1 TYR 34 HE1 TYR 34 -3.799 5.278 9.305 263 HE2 TYR 34 HE2 TYR 34 -7.253 4.082 6.982 264 HH TYR 34 HH TYR 34 -6.579 6.375 7.554 265 H ASN 35 H ASN 35 -6.965 -1.759 10.202 266 HA ASN 35 HA ASN 35 -5.569 -3.139 12.218 267 1HB ASN 35 1HB ASN 35 -8.093 -3.751 10.629 268 2HB ASN 35 2HB ASN 35 -7.430 -4.946 11.729 269 1HD2 ASN 35 1HD2 ASN 35 -9.967 -4.047 12.161 270 2HD2 ASN 35 2HD2 ASN 35 -9.984 -3.132 13.652 271 H PHE 36 H PHE 36 -6.019 -4.004 8.761 272 HA PHE 36 HA PHE 36 -5.152 -6.618 8.865 273 1HB PHE 36 1HB PHE 36 -5.960 -5.602 6.778 274 2HB PHE 36 2HB PHE 36 -4.674 -4.429 6.796 275 HD1 PHE 36 HD1 PHE 36 -4.409 -8.203 7.145 276 HD2 PHE 36 HD2 PHE 36 -3.479 -4.688 4.824 277 HE1 PHE 36 HE1 PHE 36 -2.999 -9.565 5.618 278 HE2 PHE 36 HE2 PHE 36 -2.061 -6.066 3.324 279 HZ PHE 36 HZ PHE 36 -1.842 -8.507 3.697 280 H TRP 37 H TRP 37 -3.110 -3.661 9.070 281 HA TRP 37 HA TRP 37 -0.608 -4.971 8.507 282 1HB TRP 37 1HB TRP 37 -1.055 -2.468 10.163 283 2HB TRP 37 2HB TRP 37 0.363 -2.896 9.218 284 HD1 TRP 37 HD1 TRP 37 -1.408 -3.613 6.518 285 HE1 TRP 37 HE1 TRP 37 -2.319 -1.664 5.132 286 HE3 TRP 37 HE3 TRP 37 -1.140 0.088 10.051 287 HZ2 TRP 37 HZ2 TRP 37 -3.106 1.036 5.603 288 HZ3 TRP 37 HZ3 TRP 37 -1.954 2.364 9.533 289 HH2 TRP 37 HH2 TRP 37 -2.997 2.856 7.324 290 H LYS 38 H LYS 38 -2.624 -4.968 11.334 291 HA LYS 38 HA LYS 38 -0.463 -4.997 13.309 292 1HB LYS 38 1HB LYS 38 -3.444 -5.620 13.477 293 2HB LYS 38 2HB LYS 38 -2.360 -5.444 14.854 294 1HG LYS 38 1HG LYS 38 -1.996 -3.084 14.314 295 2HG LYS 38 2HG LYS 38 -3.012 -3.204 12.865 296 1HD LYS 38 1HD LYS 38 -4.980 -3.736 14.194 297 2HD LYS 38 2HD LYS 38 -4.000 -3.895 15.641 298 1HE LYS 38 1HE LYS 38 -3.316 -1.426 15.249 299 2HE LYS 38 2HE LYS 38 -4.675 -1.353 14.124 300 1HZ LYS 38 1HZ LYS 38 -4.845 -2.121 16.981 301 2HZ LYS 38 2HZ LYS 38 -5.265 -0.648 16.365 302 3HZ LYS 38 3HZ LYS 38 -6.131 -1.954 15.928 303 H GLU 39 H GLU 39 0.224 -6.889 14.439 304 HA GLU 39 HA GLU 39 -0.011 -9.372 12.988 305 1HB GLU 39 1HB GLU 39 1.040 -8.788 15.809 306 2HB GLU 39 2HB GLU 39 1.053 -10.362 15.034 307 1HG GLU 39 1HG GLU 39 3.218 -9.450 14.736 308 2HG GLU 39 2HG GLU 39 2.358 -9.499 13.181 309 H GLY 40 H GLY 40 -0.856 -11.299 13.892 310 1HA GLY 40 1HA GLY 40 -2.867 -11.519 15.875 311 2HA GLY 40 2HA GLY 40 -2.547 -12.655 14.570 312 H TYR 41 H TYR 41 -3.343 -9.496 13.452 313 HA TYR 41 HA TYR 41 -6.219 -9.899 13.162 314 1HB TYR 41 1HB TYR 41 -4.220 -7.773 12.721 315 2HB TYR 41 2HB TYR 41 -5.567 -7.796 11.624 316 HD1 TYR 41 HD1 TYR 41 -4.512 -6.832 14.966 317 HD2 TYR 41 HD2 TYR 41 -7.906 -7.692 12.487 318 HE1 TYR 41 HE1 TYR 41 -5.882 -5.284 16.321 319 HE2 TYR 41 HE2 TYR 41 -9.302 -6.207 13.793 320 HH TYR 41 HH TYR 41 -8.060 -4.291 16.632 321 H GLU 42 H GLU 42 -6.499 -11.755 11.796 322 HA GLU 42 HA GLU 42 -5.043 -11.834 9.251 323 1HB GLU 42 1HB GLU 42 -5.170 -13.879 10.496 324 2HB GLU 42 2HB GLU 42 -6.955 -13.848 10.475 325 1HG GLU 42 1HG GLU 42 -6.941 -14.130 8.059 326 2HG GLU 42 2HG GLU 42 -5.212 -13.753 8.026 327 H ILE 43 H ILE 43 -5.975 -9.727 8.789 328 HA ILE 43 HA ILE 43 -8.790 -9.567 7.977 329 HB ILE 43 HB ILE 43 -6.591 -7.589 7.730 330 1HG1 ILE 43 1HG1 ILE 43 -7.011 -7.967 10.040 331 2HG1 ILE 43 2HG1 ILE 43 -7.928 -6.548 9.632 332 1HG2 ILE 43 1HG2 ILE 43 -9.538 -7.424 7.072 333 2HG2 ILE 43 2HG2 ILE 43 -8.654 -6.007 7.652 334 3HG2 ILE 43 3HG2 ILE 43 -8.104 -6.768 6.191 335 1HD1 ILE 43 1HD1 ILE 43 -9.959 -8.033 9.346 336 2HD1 ILE 43 2HD1 ILE 43 -8.996 -9.252 10.238 337 3HD1 ILE 43 3HD1 ILE 43 -9.365 -7.676 10.966 338 H LYS 44 H LYS 44 -9.065 -11.132 6.259 339 HA LYS 44 HA LYS 44 -7.193 -11.016 3.976 340 1HB LYS 44 1HB LYS 44 -7.209 -13.307 3.852 341 2HB LYS 44 2HB LYS 44 -6.687 -12.852 5.457 342 1HG LYS 44 1HG LYS 44 -8.554 -13.722 6.477 343 2HG LYS 44 2HG LYS 44 -9.613 -13.389 5.118 344 1HD LYS 44 1HD LYS 44 -7.455 -15.521 4.931 345 2HD LYS 44 2HD LYS 44 -9.061 -15.884 5.590 346 1HE LYS 44 1HE LYS 44 -10.177 -15.461 3.570 347 2HE LYS 44 2HE LYS 44 -8.887 -14.454 2.936 348 1HZ LYS 44 1HZ LYS 44 -8.509 -17.338 3.337 349 2HZ LYS 44 2HZ LYS 44 -9.095 -16.712 1.934 350 3HZ LYS 44 3HZ LYS 44 -7.585 -16.277 2.453 351 H ASN 45 H ASN 45 -9.865 -9.746 4.265 352 HA ASN 45 HA ASN 45 -11.847 -11.255 2.695 353 1HB ASN 45 1HB ASN 45 -12.397 -9.789 4.674 354 2HB ASN 45 2HB ASN 45 -11.944 -8.409 3.690 355 1HD2 ASN 45 1HD2 ASN 45 -13.810 -7.454 2.927 356 2HD2 ASN 45 2HD2 ASN 45 -15.090 -8.240 2.066 357 H ARG 46 H ARG 46 -12.786 -8.949 1.333 358 HA ARG 46 HA ARG 46 -11.018 -9.151 -1.062 359 1HB ARG 46 1HB ARG 46 -13.970 -8.531 -1.174 360 2HB ARG 46 2HB ARG 46 -12.895 -9.162 -2.418 361 1HG ARG 46 1HG ARG 46 -12.760 -11.281 -1.227 362 2HG ARG 46 2HG ARG 46 -13.721 -10.638 0.085 363 1HD ARG 46 1HD ARG 46 -14.740 -12.019 -1.840 364 2HD ARG 46 2HD ARG 46 -15.674 -10.748 -0.991 365 HE ARG 46 HE ARG 46 -14.449 -10.661 -3.761 366 1HH1 ARG 46 1HH1 ARG 46 -15.459 -9.541 -5.265 367 2HH1 ARG 46 2HH1 ARG 46 -16.853 -8.537 -4.979 368 1HH2 ARG 46 1HH2 ARG 46 -16.685 -9.183 -1.440 369 2HH2 ARG 46 2HH2 ARG 46 -17.581 -8.319 -2.584 370 H GLU 47 H GLU 47 -13.431 -6.910 0.408 371 HA GLU 47 HA GLU 47 -12.882 -4.668 -1.012 372 1HB GLU 47 1HB GLU 47 -13.618 -4.704 1.927 373 2HB GLU 47 2HB GLU 47 -13.634 -3.298 0.869 374 1HG GLU 47 1HG GLU 47 -15.814 -3.933 0.699 375 2HG GLU 47 2HG GLU 47 -15.128 -4.733 -0.707 376 H THR 48 H THR 48 -10.971 -5.574 1.974 377 HA THR 48 HA THR 48 -9.377 -3.267 1.916 378 HB THR 48 HB THR 48 -8.391 -5.999 2.773 379 HG1 THR 48 HG1 THR 48 -9.975 -6.075 4.077 380 1HG2 THR 48 1HG2 THR 48 -7.901 -3.176 3.792 381 2HG2 THR 48 2HG2 THR 48 -7.380 -4.634 4.657 382 3HG2 THR 48 3HG2 THR 48 -6.716 -4.261 3.059 383 H GLY 49 H GLY 49 -8.952 -6.315 0.072 384 1HA GLY 49 1HA GLY 49 -7.452 -6.842 -1.575 385 2HA GLY 49 2HA GLY 49 -6.317 -5.621 -0.956 386 H CYS 50 H CYS 50 -9.728 -5.097 -1.876 387 HA CYS 50 HA CYS 50 -9.167 -3.801 -4.358 388 1HB CYS 50 1HB CYS 50 -11.506 -4.483 -2.920 389 2HB CYS 50 2HB CYS 50 -11.543 -2.742 -3.119 390 H ALA 51 H ALA 51 -9.465 -2.564 -0.987 391 HA ALA 51 HA ALA 51 -9.152 0.149 -1.625 392 1HB ALA 51 1HB ALA 51 -8.301 0.461 0.724 393 2HB ALA 51 2HB ALA 51 -8.212 -1.287 0.904 394 3HB ALA 51 3HB ALA 51 -9.777 -0.503 0.658 395 H ILE 52 H ILE 52 -6.552 -2.319 -0.907 396 HA ILE 52 HA ILE 52 -4.355 -0.611 -1.371 397 HB ILE 52 HB ILE 52 -4.695 -3.592 -1.841 398 1HG1 ILE 52 1HG1 ILE 52 -3.447 -2.030 0.466 399 2HG1 ILE 52 2HG1 ILE 52 -5.020 -2.810 0.508 400 1HG2 ILE 52 1HG2 ILE 52 -2.746 -2.640 -3.148 401 2HG2 ILE 52 2HG2 ILE 52 -2.084 -2.043 -1.617 402 3HG2 ILE 52 3HG2 ILE 52 -2.274 -3.781 -1.908 403 1HD1 ILE 52 1HD1 ILE 52 -3.910 -5.016 0.099 404 2HD1 ILE 52 2HD1 ILE 52 -2.345 -4.190 0.319 405 3HD1 ILE 52 3HD1 ILE 52 -3.513 -4.236 1.646 406 H MET 53 H MET 53 -6.072 -2.740 -3.763 407 HA MET 53 HA MET 53 -4.585 -1.995 -6.006 408 1HB MET 53 1HB MET 53 -6.142 -3.915 -5.788 409 2HB MET 53 2HB MET 53 -7.483 -2.834 -5.697 410 1HG MET 53 1HG MET 53 -5.826 -2.395 -8.100 411 2HG MET 53 2HG MET 53 -6.352 -4.044 -7.931 412 1HE MET 53 1HE MET 53 -8.957 -4.733 -7.615 413 2HE MET 53 2HE MET 53 -9.388 -3.425 -6.486 414 3HE MET 53 3HE MET 53 -10.322 -3.645 -7.970 415 H CYS 54 H CYS 54 -7.510 -0.394 -4.715 416 HA CYS 54 HA CYS 54 -7.798 1.519 -6.868 417 1HB CYS 54 1HB CYS 54 -9.535 0.785 -5.300 418 2HB CYS 54 2HB CYS 54 -8.599 1.400 -3.936 419 H LEU 55 H LEU 55 -6.194 1.468 -3.663 420 HA LEU 55 HA LEU 55 -5.326 4.162 -3.804 421 1HB LEU 55 1HB LEU 55 -4.489 1.804 -2.094 422 2HB LEU 55 2HB LEU 55 -3.824 3.401 -1.854 423 HG LEU 55 HG LEU 55 -6.818 2.903 -1.877 424 1HD1 LEU 55 1HD1 LEU 55 -5.798 1.519 -0.095 425 2HD1 LEU 55 2HD1 LEU 55 -5.004 2.948 0.558 426 3HD1 LEU 55 3HD1 LEU 55 -6.769 2.838 0.555 427 1HD2 LEU 55 1HD2 LEU 55 -6.139 5.235 -2.173 428 2HD2 LEU 55 2HD2 LEU 55 -7.049 4.954 -0.685 429 3HD2 LEU 55 3HD2 LEU 55 -5.283 5.167 -0.616 430 H SER 56 H SER 56 -4.013 1.186 -5.132 431 HA SER 56 HA SER 56 -1.420 2.205 -5.555 432 1HB SER 56 1HB SER 56 -0.978 0.198 -6.708 433 2HB SER 56 2HB SER 56 -2.093 -0.219 -5.428 434 HG SER 56 HG SER 56 -2.172 -0.737 -7.938 435 H THR 57 H THR 57 -4.136 3.572 -6.749 436 HA THR 57 HA THR 57 -2.427 4.854 -8.738 437 HB THR 57 HB THR 57 -3.839 3.177 -9.900 438 HG1 THR 57 HG1 THR 57 -4.359 4.508 -11.547 439 1HG2 THR 57 1HG2 THR 57 -6.156 4.991 -9.102 440 2HG2 THR 57 2HG2 THR 57 -6.227 3.713 -10.325 441 3HG2 THR 57 3HG2 THR 57 -5.914 3.284 -8.651 442 H LYS 58 H LYS 58 -3.568 5.294 -5.970 443 HA LYS 58 HA LYS 58 -4.662 8.067 -6.362 444 1HB LYS 58 1HB LYS 58 -5.075 6.047 -4.188 445 2HB LYS 58 2HB LYS 58 -5.385 7.738 -3.884 446 1HG LYS 58 1HG LYS 58 -6.706 6.633 -6.298 447 2HG LYS 58 2HG LYS 58 -7.358 6.073 -4.730 448 1HD LYS 58 1HD LYS 58 -7.700 8.261 -3.942 449 2HD LYS 58 2HD LYS 58 -6.951 8.943 -5.408 450 1HE LYS 58 1HE LYS 58 -9.336 7.056 -5.505 451 2HE LYS 58 2HE LYS 58 -9.508 8.762 -5.243 452 1HZ LYS 58 1HZ LYS 58 -8.236 9.106 -7.378 453 2HZ LYS 58 2HZ LYS 58 -8.290 7.464 -7.587 454 3HZ LYS 58 3HZ LYS 58 -9.685 8.285 -7.570 455 H LEU 59 H LEU 59 -1.798 7.240 -6.562 456 HA LEU 59 HA LEU 59 -0.431 7.785 -4.073 457 1HB LEU 59 1HB LEU 59 0.634 8.367 -6.845 458 2HB LEU 59 2HB LEU 59 1.544 7.950 -5.407 459 HG LEU 59 HG LEU 59 -0.263 6.101 -7.021 460 1HD1 LEU 59 1HD1 LEU 59 1.904 6.761 -8.100 461 2HD1 LEU 59 2HD1 LEU 59 2.765 6.001 -6.741 462 3HD1 LEU 59 3HD1 LEU 59 1.708 5.060 -7.808 463 1HD2 LEU 59 1HD2 LEU 59 1.486 5.415 -4.614 464 2HD2 LEU 59 2HD2 LEU 59 -0.300 5.401 -4.658 465 3HD2 LEU 59 3HD2 LEU 59 0.617 4.271 -5.656 466 H ASN 60 H ASN 60 -1.733 9.822 -6.630 467 HA ASN 60 HA ASN 60 -0.552 12.315 -6.018 468 1HB ASN 60 1HB ASN 60 -2.445 13.267 -7.153 469 2HB ASN 60 2HB ASN 60 -2.004 11.817 -8.013 470 1HD2 ASN 60 1HD2 ASN 60 -4.670 13.520 -6.670 471 2HD2 ASN 60 2HD2 ASN 60 -5.787 12.167 -6.665 472 H MET 61 H MET 61 -3.092 10.493 -4.329 473 HA MET 61 HA MET 61 -3.929 12.793 -2.714 474 1HB MET 61 1HB MET 61 -4.542 9.819 -2.441 475 2HB MET 61 2HB MET 61 -5.326 11.117 -1.558 476 1HG MET 61 1HG MET 61 -5.380 10.799 -4.579 477 2HG MET 61 2HG MET 61 -6.642 10.247 -3.487 478 1HE MET 61 1HE MET 61 -8.367 11.512 -2.404 479 2HE MET 61 2HE MET 61 -7.254 12.463 -1.385 480 3HE MET 61 3HE MET 61 -8.532 13.276 -2.317 481 H LEU 62 H LEU 62 -1.446 10.174 -2.504 482 HA LEU 62 HA LEU 62 -1.315 10.295 0.386 483 1HB LEU 62 1HB LEU 62 0.379 8.963 -1.768 484 2HB LEU 62 2HB LEU 62 0.494 8.597 -0.081 485 HG LEU 62 HG LEU 62 -1.954 8.182 -1.783 486 1HD1 LEU 62 1HD1 LEU 62 0.076 6.843 -2.365 487 2HD1 LEU 62 2HD1 LEU 62 -0.098 6.014 -0.804 488 3HD1 LEU 62 3HD1 LEU 62 -1.390 5.926 -2.019 489 1HD2 LEU 62 1HD2 LEU 62 -1.353 7.326 1.080 490 2HD2 LEU 62 2HD2 LEU 62 -2.637 8.433 0.539 491 3HD2 LEU 62 3HD2 LEU 62 -2.699 6.699 0.153 492 H ASP 63 H ASP 63 0.887 10.992 -2.363 493 HA ASP 63 HA ASP 63 2.400 12.790 -0.515 494 1HB ASP 63 1HB ASP 63 3.818 10.971 -1.241 495 2HB ASP 63 2HB ASP 63 3.546 11.399 -2.932 496 HA PRO 64 HA PRO 64 0.165 15.449 -3.397 497 1HB PRO 64 1HB PRO 64 0.467 17.833 -2.065 498 2HB PRO 64 2HB PRO 64 -0.697 16.567 -1.530 499 1HG PRO 64 1HG PRO 64 2.130 17.092 -0.570 500 2HG PRO 64 2HG PRO 64 0.659 16.860 0.437 501 1HD PRO 64 1HD PRO 64 2.439 14.877 -0.060 502 2HD PRO 64 2HD PRO 64 0.686 14.528 0.004 503 H GLU 65 H GLU 65 3.402 15.997 -2.180 504 HA GLU 65 HA GLU 65 4.271 18.031 -3.984 505 1HB GLU 65 1HB GLU 65 5.848 15.896 -2.502 506 2HB GLU 65 2HB GLU 65 6.562 17.266 -3.361 507 1HG GLU 65 1HG GLU 65 5.392 18.825 -1.864 508 2HG GLU 65 2HG GLU 65 4.656 17.460 -1.013 509 H GLY 66 H GLY 66 3.772 14.589 -4.373 510 1HA GLY 66 1HA GLY 66 4.256 14.867 -7.219 511 2HA GLY 66 2HA GLY 66 3.489 13.525 -6.372 512 H ASN 67 H ASN 67 5.921 13.425 -4.446 513 HA ASN 67 HA ASN 67 8.187 12.600 -6.133 514 1HB ASN 67 1HB ASN 67 7.429 12.228 -3.176 515 2HB ASN 67 2HB ASN 67 8.717 11.285 -3.892 516 1HD2 ASN 67 1HD2 ASN 67 7.763 14.753 -3.636 517 2HD2 ASN 67 2HD2 ASN 67 9.430 15.272 -3.347 518 H LEU 68 H LEU 68 5.309 11.047 -4.766 519 HA LEU 68 HA LEU 68 6.426 8.373 -5.161 520 1HB LEU 68 1HB LEU 68 5.113 8.909 -3.180 521 2HB LEU 68 2HB LEU 68 3.693 9.271 -4.158 522 HG LEU 68 HG LEU 68 3.505 6.955 -4.858 523 1HD1 LEU 68 1HD1 LEU 68 6.150 6.512 -3.442 524 2HD1 LEU 68 2HD1 LEU 68 5.059 5.204 -3.914 525 3HD1 LEU 68 3HD1 LEU 68 5.764 6.216 -5.155 526 1HD2 LEU 68 1HD2 LEU 68 2.555 7.585 -2.666 527 2HD2 LEU 68 2HD2 LEU 68 3.069 5.888 -2.700 528 3HD2 LEU 68 3HD2 LEU 68 4.070 7.096 -1.872 529 H HIS 69 H HIS 69 6.737 8.142 -7.377 530 HA HIS 69 HA HIS 69 4.498 8.513 -9.247 531 1HB HIS 69 1HB HIS 69 7.345 7.578 -9.562 532 2HB HIS 69 2HB HIS 69 6.274 7.715 -10.916 533 HD1 HIS 69 HD1 HIS 69 5.257 10.367 -11.313 534 HD2 HIS 69 HD2 HIS 69 8.622 9.738 -8.826 535 HE1 HIS 69 HE1 HIS 69 6.359 12.663 -10.955 536 H HIS 70 H HIS 70 4.191 6.878 -10.825 537 HA HIS 70 HA HIS 70 3.342 4.294 -9.745 538 1HB HIS 70 1HB HIS 70 1.966 5.638 -11.265 539 2HB HIS 70 2HB HIS 70 3.218 5.575 -12.502 540 HD1 HIS 70 HD1 HIS 70 3.700 2.540 -13.001 541 HD2 HIS 70 HD2 HIS 70 0.028 4.282 -11.927 542 HE1 HIS 70 HE1 HIS 70 1.910 1.038 -13.937 543 H GLY 71 H GLY 71 4.615 2.539 -9.878 544 1HA GLY 71 1HA GLY 71 6.399 1.821 -11.910 545 2HA GLY 71 2HA GLY 71 6.396 1.156 -10.275 546 H ASN 72 H ASN 72 7.030 4.111 -9.295 547 HA ASN 72 HA ASN 72 9.918 3.820 -9.515 548 1HB ASN 72 1HB ASN 72 9.176 4.966 -11.671 549 2HB ASN 72 2HB ASN 72 8.685 6.331 -10.716 550 1HD2 ASN 72 1HD2 ASN 72 10.367 7.148 -12.366 551 2HD2 ASN 72 2HD2 ASN 72 11.978 7.390 -11.703 552 H ALA 73 H ALA 73 8.913 3.563 -7.236 553 HA ALA 73 HA ALA 73 8.243 6.038 -5.811 554 1HB ALA 73 1HB ALA 73 7.818 4.483 -3.948 555 2HB ALA 73 2HB ALA 73 8.559 3.151 -4.856 556 3HB ALA 73 3HB ALA 73 7.047 3.900 -5.424 557 H MET 74 H MET 74 11.223 5.384 -6.805 558 HA MET 74 HA MET 74 12.549 4.341 -4.449 559 1HB MET 74 1HB MET 74 13.470 5.355 -7.167 560 2HB MET 74 2HB MET 74 14.616 5.019 -5.875 561 1HG MET 74 1HG MET 74 13.702 2.724 -5.652 562 2HG MET 74 2HG MET 74 12.675 3.013 -7.063 563 1HE MET 74 1HE MET 74 14.923 0.643 -6.493 564 2HE MET 74 2HE MET 74 13.881 0.621 -7.936 565 3HE MET 74 3HE MET 74 15.649 0.475 -8.103 566 H GLU 75 H GLU 75 12.082 7.541 -5.893 567 HA GLU 75 HA GLU 75 14.047 8.743 -4.055 568 1HB GLU 75 1HB GLU 75 12.153 9.857 -6.120 569 2HB GLU 75 2HB GLU 75 12.637 10.902 -4.797 570 1HG GLU 75 1HG GLU 75 15.069 10.235 -5.335 571 2HG GLU 75 2HG GLU 75 14.431 9.567 -6.839 572 H PHE 76 H PHE 76 10.550 8.184 -4.027 573 HA PHE 76 HA PHE 76 9.998 9.598 -1.549 574 1HB PHE 76 1HB PHE 76 8.146 9.103 -2.940 575 2HB PHE 76 2HB PHE 76 8.660 7.471 -3.256 576 HD1 PHE 76 HD1 PHE 76 8.165 5.630 -1.757 577 HD2 PHE 76 HD2 PHE 76 6.987 9.663 -0.827 578 HE1 PHE 76 HE1 PHE 76 6.561 4.773 -0.042 579 HE2 PHE 76 HE2 PHE 76 5.504 8.819 0.976 580 HZ PHE 76 HZ PHE 76 5.254 6.368 1.334 581 H ALA 77 H ALA 77 10.898 6.186 -2.317 582 HA ALA 77 HA ALA 77 10.842 5.232 0.326 583 1HB ALA 77 1HB ALA 77 10.941 3.830 -1.717 584 2HB ALA 77 2HB ALA 77 12.202 3.400 -0.551 585 3HB ALA 77 3HB ALA 77 12.628 4.339 -1.988 586 H LYS 78 H LYS 78 13.568 6.652 -1.521 587 HA LYS 78 HA LYS 78 15.569 6.391 0.362 588 1HB LYS 78 1HB LYS 78 15.095 8.596 -1.677 589 2HB LYS 78 2HB LYS 78 16.518 8.571 -0.638 590 1HG LYS 78 1HG LYS 78 16.236 5.932 -1.746 591 2HG LYS 78 2HG LYS 78 16.003 7.044 -3.061 592 1HD LYS 78 1HD LYS 78 18.381 7.584 -1.320 593 2HD LYS 78 2HD LYS 78 18.379 6.111 -2.280 594 1HE LYS 78 1HE LYS 78 19.523 8.073 -3.373 595 2HE LYS 78 2HE LYS 78 18.371 7.149 -4.318 596 1HZ LYS 78 1HZ LYS 78 16.729 8.836 -3.981 597 2HZ LYS 78 2HZ LYS 78 17.846 9.820 -3.141 598 3HZ LYS 78 3HZ LYS 78 18.047 9.429 -4.720 599 H LYS 79 H LYS 79 13.240 9.155 0.245 600 HA LYS 79 HA LYS 79 14.194 10.574 2.374 601 1HB LYS 79 1HB LYS 79 11.343 10.206 1.510 602 2HB LYS 79 2HB LYS 79 11.905 11.364 2.734 603 1HG LYS 79 1HG LYS 79 12.844 12.790 1.261 604 2HG LYS 79 2HG LYS 79 13.631 11.516 0.384 605 1HD LYS 79 1HD LYS 79 12.297 12.246 -1.254 606 2HD LYS 79 2HD LYS 79 11.382 10.930 -0.530 607 1HE LYS 79 1HE LYS 79 10.970 13.918 0.050 608 2HE LYS 79 2HE LYS 79 10.105 13.060 -1.217 609 1HZ LYS 79 1HZ LYS 79 9.089 11.657 0.496 610 2HZ LYS 79 2HZ LYS 79 9.825 12.536 1.682 611 3HZ LYS 79 3HZ LYS 79 8.738 13.209 0.645 612 H HIS 80 H HIS 80 12.529 7.437 2.544 613 HA HIS 80 HA HIS 80 12.008 7.720 5.442 614 1HB HIS 80 1HB HIS 80 10.875 5.935 3.292 615 2HB HIS 80 2HB HIS 80 10.311 6.011 4.972 616 HD1 HIS 80 HD1 HIS 80 8.986 7.065 1.865 617 HD2 HIS 80 HD2 HIS 80 10.262 9.245 5.205 618 HE1 HIS 80 HE1 HIS 80 7.883 9.334 1.719 619 H GLY 81 H GLY 81 14.580 6.991 3.831 620 1HA GLY 81 1HA GLY 81 15.307 4.979 5.826 621 2HA GLY 81 2HA GLY 81 16.419 6.079 4.981 622 H ALA 82 H ALA 82 14.276 4.669 2.845 623 HA ALA 82 HA ALA 82 15.845 2.156 2.489 624 1HB ALA 82 1HB ALA 82 13.068 2.899 1.486 625 2HB ALA 82 2HB ALA 82 13.939 1.342 1.251 626 3HB ALA 82 3HB ALA 82 13.455 1.843 2.896 627 H ASP 83 H ASP 83 17.499 2.444 1.167 628 HA ASP 83 HA ASP 83 17.551 4.469 -0.911 629 1HB ASP 83 1HB ASP 83 19.823 3.411 -1.357 630 2HB ASP 83 2HB ASP 83 19.562 4.135 0.182 631 H GLU 84 H GLU 84 18.809 3.452 -3.002 632 HA GLU 84 HA GLU 84 16.693 2.585 -4.616 633 1HB GLU 84 1HB GLU 84 19.660 2.237 -5.158 634 2HB GLU 84 2HB GLU 84 18.382 2.385 -6.378 635 1HG GLU 84 1HG GLU 84 19.400 4.490 -4.450 636 2HG GLU 84 2HG GLU 84 19.795 4.386 -6.149 637 H THR 85 H THR 85 19.432 0.773 -3.252 638 HA THR 85 HA THR 85 18.651 -1.749 -4.406 639 HB THR 85 HB THR 85 20.487 -1.125 -2.088 640 HG1 THR 85 HG1 THR 85 20.662 -1.065 -4.822 641 1HG2 THR 85 1HG2 THR 85 20.140 -3.729 -3.620 642 2HG2 THR 85 2HG2 THR 85 21.470 -3.354 -2.470 643 3HG2 THR 85 3HG2 THR 85 19.813 -3.464 -1.900 644 H MET 86 H MET 86 17.957 -0.248 -1.175 645 HA MET 86 HA MET 86 16.564 -2.517 -0.114 646 1HB MET 86 1HB MET 86 16.610 0.478 0.356 647 2HB MET 86 2HB MET 86 15.399 -0.491 1.111 648 1HG MET 86 1HG MET 86 17.292 -1.940 2.058 649 2HG MET 86 2HG MET 86 18.384 -0.657 1.495 650 1HE MET 86 1HE MET 86 18.594 -1.341 4.447 651 2HE MET 86 2HE MET 86 19.313 0.199 3.871 652 3HE MET 86 3HE MET 86 18.310 0.176 5.332 653 H ALA 87 H ALA 87 15.449 0.245 -2.163 654 HA ALA 87 HA ALA 87 12.746 -0.708 -2.330 655 1HB ALA 87 1HB ALA 87 13.447 1.590 -2.975 656 2HB ALA 87 2HB ALA 87 12.629 0.774 -4.305 657 3HB ALA 87 3HB ALA 87 14.403 0.931 -4.314 658 H GLN 88 H GLN 88 15.547 -1.218 -4.514 659 HA GLN 88 HA GLN 88 14.210 -2.838 -6.334 660 1HB GLN 88 1HB GLN 88 16.508 -1.874 -6.659 661 2HB GLN 88 2HB GLN 88 17.136 -2.971 -5.437 662 1HG GLN 88 1HG GLN 88 17.785 -3.825 -7.557 663 2HG GLN 88 2HG GLN 88 16.579 -4.917 -6.920 664 1HE2 GLN 88 1HE2 GLN 88 14.371 -4.769 -7.797 665 2HE2 GLN 88 2HE2 GLN 88 14.095 -3.963 -9.355 666 H GLN 89 H GLN 89 15.662 -3.842 -3.281 667 HA GLN 89 HA GLN 89 15.359 -6.647 -3.371 668 1HB GLN 89 1HB GLN 89 15.280 -4.491 -1.283 669 2HB GLN 89 2HB GLN 89 14.681 -6.039 -0.800 670 1HG GLN 89 1HG GLN 89 17.406 -5.591 -2.041 671 2HG GLN 89 2HG GLN 89 17.103 -5.513 -0.308 672 1HE2 GLN 89 1HE2 GLN 89 18.899 -7.279 -0.700 673 2HE2 GLN 89 2HE2 GLN 89 18.302 -8.931 -0.696 674 H LEU 90 H LEU 90 13.009 -4.171 -2.229 675 HA LEU 90 HA LEU 90 10.919 -6.056 -1.732 676 1HB LEU 90 1HB LEU 90 10.874 -3.041 -2.163 677 2HB LEU 90 2HB LEU 90 9.574 -3.979 -1.467 678 HG LEU 90 HG LEU 90 12.368 -3.923 -0.188 679 1HD1 LEU 90 1HD1 LEU 90 9.996 -2.104 0.149 680 2HD1 LEU 90 2HD1 LEU 90 11.349 -2.211 1.345 681 3HD1 LEU 90 3HD1 LEU 90 11.647 -1.699 -0.315 682 1HD2 LEU 90 1HD2 LEU 90 10.734 -5.740 0.510 683 2HD2 LEU 90 2HD2 LEU 90 11.307 -4.682 1.810 684 3HD2 LEU 90 3HD2 LEU 90 9.695 -4.435 1.165 685 H ILE 91 H ILE 91 11.724 -4.050 -4.479 686 HA ILE 91 HA ILE 91 9.233 -4.424 -5.904 687 HB ILE 91 HB ILE 91 12.010 -3.537 -6.717 688 1HG1 ILE 91 1HG1 ILE 91 9.509 -1.822 -6.442 689 2HG1 ILE 91 2HG1 ILE 91 10.445 -2.222 -5.038 690 1HG2 ILE 91 1HG2 ILE 91 9.486 -3.631 -8.388 691 2HG2 ILE 91 2HG2 ILE 91 10.825 -2.552 -8.762 692 3HG2 ILE 91 3HG2 ILE 91 11.042 -4.337 -8.752 693 1HD1 ILE 91 1HD1 ILE 91 12.451 -1.223 -6.114 694 2HD1 ILE 91 2HD1 ILE 91 11.403 -0.634 -7.424 695 3HD1 ILE 91 3HD1 ILE 91 11.123 -0.112 -5.743 696 H ASP 92 H ASP 92 12.327 -6.189 -5.903 697 HA ASP 92 HA ASP 92 11.668 -8.082 -7.984 698 1HB ASP 92 1HB ASP 92 13.846 -7.564 -6.247 699 2HB ASP 92 2HB ASP 92 13.251 -9.068 -5.625 700 H ILE 93 H ILE 93 11.023 -7.832 -4.568 701 HA ILE 93 HA ILE 93 9.581 -10.318 -4.325 702 HB ILE 93 HB ILE 93 9.493 -7.888 -2.490 703 1HG1 ILE 93 1HG1 ILE 93 11.082 -10.484 -2.374 704 2HG1 ILE 93 2HG1 ILE 93 11.780 -8.941 -2.736 705 1HG2 ILE 93 1HG2 ILE 93 7.528 -9.425 -2.349 706 2HG2 ILE 93 2HG2 ILE 93 8.675 -10.727 -1.993 707 3HG2 ILE 93 3HG2 ILE 93 8.495 -9.295 -0.909 708 1HD1 ILE 93 1HD1 ILE 93 11.131 -8.070 -0.508 709 2HD1 ILE 93 2HD1 ILE 93 10.503 -9.675 -0.093 710 3HD1 ILE 93 3HD1 ILE 93 12.228 -9.468 -0.427 711 H VAL 94 H VAL 94 8.414 -6.879 -4.978 712 HA VAL 94 HA VAL 94 5.700 -7.628 -4.877 713 HB VAL 94 HB VAL 94 7.061 -5.360 -6.348 714 1HG1 VAL 94 1HG1 VAL 94 4.111 -6.104 -6.647 715 2HG1 VAL 94 2HG1 VAL 94 4.642 -4.435 -6.745 716 3HG1 VAL 94 3HG1 VAL 94 5.305 -5.572 -7.864 717 1HG2 VAL 94 1HG2 VAL 94 5.170 -5.555 -3.942 718 2HG2 VAL 94 2HG2 VAL 94 6.844 -4.917 -4.039 719 3HG2 VAL 94 3HG2 VAL 94 5.547 -4.043 -4.801 720 H HIS 95 H HIS 95 7.916 -7.640 -7.749 721 HA HIS 95 HA HIS 95 5.773 -8.681 -9.421 722 1HB HIS 95 1HB HIS 95 8.777 -8.711 -9.857 723 2HB HIS 95 2HB HIS 95 7.516 -8.954 -11.083 724 HD1 HIS 95 HD1 HIS 95 9.751 -6.490 -11.004 725 HD2 HIS 95 HD2 HIS 95 5.718 -6.354 -9.759 726 HE1 HIS 95 HE1 HIS 95 9.023 -4.054 -10.989 727 H GLY 96 H GLY 96 8.254 -10.055 -7.338 728 1HA GLY 96 1HA GLY 96 8.616 -12.184 -6.569 729 2HA GLY 96 2HA GLY 96 8.017 -12.793 -8.139 730 H CYS 97 H CYS 97 6.059 -10.721 -6.198 731 HA CYS 97 HA CYS 97 4.678 -12.945 -4.912 732 1HB CYS 97 1HB CYS 97 4.643 -9.920 -4.561 733 2HB CYS 97 2HB CYS 97 3.379 -10.924 -3.875 734 H GLU 98 H GLU 98 4.124 -10.501 -7.432 735 HA GLU 98 HA GLU 98 1.477 -11.164 -8.007 736 1HB GLU 98 1HB GLU 98 3.760 -10.704 -9.891 737 2HB GLU 98 2HB GLU 98 2.089 -10.863 -10.397 738 1HG GLU 98 1HG GLU 98 1.587 -8.889 -8.859 739 2HG GLU 98 2HG GLU 98 3.278 -8.780 -8.594 740 H LYS 99 H LYS 99 4.638 -12.683 -8.854 741 HA LYS 99 HA LYS 99 3.616 -14.774 -10.499 742 1HB LYS 99 1HB LYS 99 6.209 -14.261 -9.058 743 2HB LYS 99 2HB LYS 99 5.950 -15.830 -9.802 744 1HG LYS 99 1HG LYS 99 5.998 -15.012 -11.962 745 2HG LYS 99 2HG LYS 99 5.325 -13.442 -11.507 746 1HD LYS 99 1HD LYS 99 7.588 -13.116 -12.209 747 2HD LYS 99 2HD LYS 99 7.430 -12.798 -10.470 748 1HE LYS 99 1HE LYS 99 8.354 -15.059 -9.983 749 2HE LYS 99 2HE LYS 99 8.553 -15.316 -11.725 750 1HZ LYS 99 1HZ LYS 99 9.895 -13.137 -10.215 751 2HZ LYS 99 2HZ LYS 99 10.608 -14.563 -10.576 752 3HZ LYS 99 3HZ LYS 99 10.178 -13.528 -11.773 753 H SER 100 H SER 100 4.101 -14.594 -6.994 754 HA SER 100 HA SER 100 3.495 -17.358 -6.521 755 1HB SER 100 1HB SER 100 3.527 -16.816 -4.246 756 2HB SER 100 2HB SER 100 4.783 -15.815 -5.011 757 HG SER 100 HG SER 100 2.972 -14.149 -5.022 758 H THR 101 H THR 101 1.429 -14.763 -7.422 759 HA THR 101 HA THR 101 -0.821 -15.804 -5.799 760 HB THR 101 HB THR 101 -0.482 -12.985 -6.841 761 HG1 THR 101 HG1 THR 101 0.977 -13.270 -5.250 762 1HG2 THR 101 1HG2 THR 101 -2.836 -13.783 -6.440 763 2HG2 THR 101 2HG2 THR 101 -2.366 -14.287 -4.809 764 3HG2 THR 101 3HG2 THR 101 -2.306 -12.557 -5.269 765 HA PRO 102 HA PRO 102 -1.818 -16.975 -10.009 766 1HB PRO 102 1HB PRO 102 -3.984 -18.560 -9.549 767 2HB PRO 102 2HB PRO 102 -2.319 -19.073 -9.120 768 1HG PRO 102 1HG PRO 102 -4.403 -17.858 -7.296 769 2HG PRO 102 2HG PRO 102 -3.384 -19.304 -7.009 770 1HD PRO 102 1HD PRO 102 -2.798 -16.773 -6.084 771 2HD PRO 102 2HD PRO 102 -1.509 -17.941 -6.485 772 H ALA 103 H ALA 103 -3.090 -15.988 -11.473 773 HA ALA 103 HA ALA 103 -4.494 -13.689 -11.108 774 1HB ALA 103 1HB ALA 103 -4.845 -15.797 -13.272 775 2HB ALA 103 2HB ALA 103 -3.682 -14.450 -13.271 776 3HB ALA 103 3HB ALA 103 -5.433 -14.120 -13.374 777 H ASN 104 H ASN 104 -5.848 -13.689 -9.453 778 HA ASN 104 HA ASN 104 -7.977 -15.617 -9.034 779 1HB ASN 104 1HB ASN 104 -6.786 -14.306 -7.214 780 2HB ASN 104 2HB ASN 104 -7.734 -12.909 -7.676 781 1HD2 ASN 104 1HD2 ASN 104 -7.702 -15.429 -5.574 782 2HD2 ASN 104 2HD2 ASN 104 -9.437 -15.432 -5.237 783 H ASP 105 H ASP 105 -10.094 -15.372 -9.233 784 HA ASP 105 HA ASP 105 -11.577 -14.269 -11.220 785 1HB ASP 105 1HB ASP 105 -12.210 -15.809 -9.354 786 2HB ASP 105 2HB ASP 105 -12.278 -14.439 -8.246 787 H ASP 106 H ASP 106 -10.332 -12.652 -8.300 788 HA ASP 106 HA ASP 106 -11.828 -10.142 -8.984 789 1HB ASP 106 1HB ASP 106 -12.510 -11.922 -7.058 790 2HB ASP 106 2HB ASP 106 -11.275 -11.097 -6.199 791 H LYS 107 H LYS 107 -10.171 -8.541 -9.435 792 HA LYS 107 HA LYS 107 -7.493 -8.939 -8.798 793 1HB LYS 107 1HB LYS 107 -8.888 -7.438 -10.570 794 2HB LYS 107 2HB LYS 107 -8.555 -6.193 -9.380 795 1HG LYS 107 1HG LYS 107 -6.456 -8.055 -10.587 796 2HG LYS 107 2HG LYS 107 -6.770 -6.375 -11.149 797 1HD LYS 107 1HD LYS 107 -6.495 -6.018 -8.508 798 2HD LYS 107 2HD LYS 107 -5.584 -7.485 -8.684 799 1HE LYS 107 1HE LYS 107 -5.128 -4.793 -10.139 800 2HE LYS 107 2HE LYS 107 -4.290 -5.255 -8.670 801 1HZ LYS 107 1HZ LYS 107 -3.250 -7.076 -9.963 802 2HZ LYS 107 2HZ LYS 107 -3.916 -6.457 -11.350 803 3HZ LYS 107 3HZ LYS 107 -2.877 -5.575 -10.485 804 H CYS 108 H CYS 108 -10.214 -7.334 -7.093 805 HA CYS 108 HA CYS 108 -8.819 -6.088 -5.005 806 1HB CYS 108 1HB CYS 108 -11.248 -7.880 -4.633 807 2HB CYS 108 2HB CYS 108 -10.746 -6.547 -3.643 808 H ILE 109 H ILE 109 -9.840 -9.569 -5.160 809 HA ILE 109 HA ILE 109 -8.497 -10.324 -2.728 810 HB ILE 109 HB ILE 109 -9.661 -11.971 -5.027 811 1HG1 ILE 109 1HG1 ILE 109 -10.809 -11.169 -2.313 812 2HG1 ILE 109 2HG1 ILE 109 -11.332 -10.483 -3.846 813 1HG2 ILE 109 1HG2 ILE 109 -8.843 -12.829 -2.206 814 2HG2 ILE 109 2HG2 ILE 109 -9.694 -13.838 -3.405 815 3HG2 ILE 109 3HG2 ILE 109 -8.055 -13.294 -3.730 816 1HD1 ILE 109 1HD1 ILE 109 -11.984 -12.826 -4.596 817 2HD1 ILE 109 2HD1 ILE 109 -11.838 -13.281 -2.873 818 3HD1 ILE 109 3HD1 ILE 109 -12.971 -12.023 -3.378 819 H TRP 110 H TRP 110 -7.584 -10.682 -6.208 820 HA TRP 110 HA TRP 110 -5.136 -12.057 -5.773 821 1HB TRP 110 1HB TRP 110 -6.019 -11.703 -8.019 822 2HB TRP 110 2HB TRP 110 -5.812 -9.973 -7.866 823 HD1 TRP 110 HD1 TRP 110 -3.849 -13.166 -8.550 824 HE1 TRP 110 HE1 TRP 110 -1.520 -12.600 -9.418 825 HE3 TRP 110 HE3 TRP 110 -3.893 -8.166 -7.603 826 HZ2 TRP 110 HZ2 TRP 110 0.051 -10.156 -9.868 827 HZ3 TRP 110 HZ3 TRP 110 -1.983 -6.770 -8.153 828 HH2 TRP 110 HH2 TRP 110 -0.059 -7.674 -9.375 829 H THR 111 H THR 111 -5.639 -8.471 -5.984 830 HA THR 111 HA THR 111 -3.100 -7.700 -5.259 831 HB THR 111 HB THR 111 -5.686 -6.335 -4.418 832 HG1 THR 111 HG1 THR 111 -5.808 -6.636 -6.511 833 1HG2 THR 111 1HG2 THR 111 -2.865 -5.278 -4.829 834 2HG2 THR 111 2HG2 THR 111 -4.305 -4.247 -4.819 835 3HG2 THR 111 3HG2 THR 111 -3.863 -5.178 -3.371 836 H LEU 112 H LEU 112 -5.723 -8.601 -2.859 837 HA LEU 112 HA LEU 112 -4.168 -8.046 -0.584 838 1HB LEU 112 1HB LEU 112 -6.544 -8.531 -0.659 839 2HB LEU 112 2HB LEU 112 -6.190 -10.238 -0.871 840 HG LEU 112 HG LEU 112 -5.254 -10.480 1.283 841 1HD1 LEU 112 1HD1 LEU 112 -5.060 -7.436 1.612 842 2HD1 LEU 112 2HD1 LEU 112 -4.741 -8.661 2.867 843 3HD1 LEU 112 3HD1 LEU 112 -3.677 -8.546 1.489 844 1HD2 LEU 112 1HD2 LEU 112 -7.342 -8.299 1.308 845 2HD2 LEU 112 2HD2 LEU 112 -7.614 -10.065 1.207 846 3HD2 LEU 112 3HD2 LEU 112 -6.988 -9.336 2.709 847 H GLY 113 H GLY 113 -4.530 -11.026 -2.534 848 1HA GLY 113 1HA GLY 113 -3.085 -12.734 -3.002 849 2HA GLY 113 2HA GLY 113 -2.852 -12.835 -1.255 850 H VAL 114 H VAL 114 -1.865 -10.498 -3.853 851 HA VAL 114 HA VAL 114 0.882 -11.010 -3.786 852 HB VAL 114 HB VAL 114 -0.526 -8.398 -4.451 853 1HG1 VAL 114 1HG1 VAL 114 1.973 -8.148 -4.142 854 2HG1 VAL 114 2HG1 VAL 114 2.207 -9.441 -5.330 855 3HG1 VAL 114 3HG1 VAL 114 1.452 -7.917 -5.813 856 1HG2 VAL 114 1HG2 VAL 114 0.278 -10.839 -6.108 857 2HG2 VAL 114 2HG2 VAL 114 -1.365 -10.226 -5.860 858 3HG2 VAL 114 3HG2 VAL 114 -0.211 -9.284 -6.788 859 H ALA 115 H ALA 115 -0.954 -8.475 -1.895 860 HA ALA 115 HA ALA 115 1.314 -7.517 -0.454 861 1HB ALA 115 1HB ALA 115 -0.849 -6.332 -0.641 862 2HB ALA 115 2HB ALA 115 -0.373 -6.525 1.050 863 3HB ALA 115 3HB ALA 115 -1.625 -7.576 0.366 864 H THR 116 H THR 116 -0.748 -10.311 0.135 865 HA THR 116 HA THR 116 0.313 -10.840 2.799 866 HB THR 116 HB THR 116 -1.557 -12.476 0.998 867 HG1 THR 116 HG1 THR 116 -2.463 -10.523 1.325 868 1HG2 THR 116 1HG2 THR 116 -1.116 -12.499 4.019 869 2HG2 THR 116 2HG2 THR 116 -2.476 -13.293 3.179 870 3HG2 THR 116 3HG2 THR 116 -0.832 -13.841 2.889 871 H CYS 117 H CYS 117 1.176 -11.694 -0.489 872 HA CYS 117 HA CYS 117 3.252 -13.562 0.441 873 1HB CYS 117 1HB CYS 117 2.665 -13.800 -1.835 874 2HB CYS 117 2HB CYS 117 2.756 -12.092 -2.148 875 H PHE 118 H PHE 118 3.201 -9.967 -0.572 876 HA PHE 118 HA PHE 118 5.770 -9.527 -0.323 877 1HB PHE 118 1HB PHE 118 4.035 -7.986 -1.126 878 2HB PHE 118 2HB PHE 118 3.522 -7.661 0.526 879 HD1 PHE 118 HD1 PHE 118 7.052 -7.892 0.529 880 HD2 PHE 118 HD2 PHE 118 3.989 -5.253 -0.878 881 HE1 PHE 118 HE1 PHE 118 8.624 -6.082 0.450 882 HE2 PHE 118 HE2 PHE 118 5.530 -3.329 -0.586 883 HZ PHE 118 HZ PHE 118 7.852 -3.711 0.001 884 H LYS 119 H LYS 119 3.639 -8.852 2.443 885 HA LYS 119 HA LYS 119 5.456 -8.070 4.272 886 1HB LYS 119 1HB LYS 119 2.685 -8.759 4.214 887 2HB LYS 119 2HB LYS 119 3.378 -9.823 5.347 888 1HG LYS 119 1HG LYS 119 4.539 -7.779 6.473 889 2HG LYS 119 2HG LYS 119 3.425 -6.817 5.490 890 1HD LYS 119 1HD LYS 119 2.149 -6.989 7.356 891 2HD LYS 119 2HD LYS 119 1.591 -8.445 6.561 892 1HE LYS 119 1HE LYS 119 3.913 -8.438 8.560 893 2HE LYS 119 2HE LYS 119 2.230 -8.462 9.078 894 1HZ LYS 119 1HZ LYS 119 1.982 -10.509 7.697 895 2HZ LYS 119 2HZ LYS 119 3.639 -10.577 7.587 896 3HZ LYS 119 3HZ LYS 119 2.903 -10.654 9.040 897 H ALA 120 H ALA 120 4.483 -11.470 3.743 898 HA ALA 120 HA ALA 120 6.051 -12.666 5.766 899 1HB ALA 120 1HB ALA 120 5.678 -14.755 4.490 900 2HB ALA 120 2HB ALA 120 4.178 -13.811 4.645 901 3HB ALA 120 3HB ALA 120 5.085 -13.815 3.106 902 H GLU 121 H GLU 121 6.827 -11.605 2.479 903 HA GLU 121 HA GLU 121 9.441 -12.853 2.426 904 1HB GLU 121 1HB GLU 121 8.340 -10.629 0.726 905 2HB GLU 121 2HB GLU 121 9.750 -11.606 0.373 906 1HG GLU 121 1HG GLU 121 6.999 -12.908 0.603 907 2HG GLU 121 2HG GLU 121 7.538 -12.070 -0.850 908 H ILE 122 H ILE 122 8.118 -9.547 3.273 909 HA ILE 122 HA ILE 122 10.673 -8.440 3.800 910 HB ILE 122 HB ILE 122 8.080 -7.811 5.234 911 1HG1 ILE 122 1HG1 ILE 122 9.276 -6.529 2.789 912 2HG1 ILE 122 2HG1 ILE 122 7.820 -7.510 2.860 913 1HG2 ILE 122 1HG2 ILE 122 10.126 -7.015 6.461 914 2HG2 ILE 122 2HG2 ILE 122 10.576 -6.105 5.009 915 3HG2 ILE 122 3HG2 ILE 122 9.085 -5.727 5.907 916 1HD1 ILE 122 1HD1 ILE 122 6.802 -5.832 4.457 917 2HD1 ILE 122 2HD1 ILE 122 8.168 -4.754 4.078 918 3HD1 ILE 122 3HD1 ILE 122 7.057 -5.249 2.808 919 H HIS 123 H HIS 123 8.605 -10.634 5.707 920 HA HIS 123 HA HIS 123 10.333 -10.777 7.996 921 1HB HIS 123 1HB HIS 123 7.897 -11.905 7.206 922 2HB HIS 123 2HB HIS 123 8.973 -13.292 7.321 923 HD1 HIS 123 HD1 HIS 123 8.497 -14.360 9.677 924 HD2 HIS 123 HD2 HIS 123 8.467 -10.136 9.635 925 HE1 HIS 123 HE1 HIS 123 7.871 -13.619 12.001 926 H LYS 124 H LYS 124 10.912 -11.827 4.755 927 HA LYS 124 HA LYS 124 13.044 -13.737 5.509 928 1HB LYS 124 1HB LYS 124 12.580 -14.800 3.666 929 2HB LYS 124 2HB LYS 124 11.198 -13.757 3.413 930 1HG LYS 124 1HG LYS 124 12.973 -12.172 2.346 931 2HG LYS 124 2HG LYS 124 13.969 -13.608 2.210 932 1HD LYS 124 1HD LYS 124 11.165 -13.415 1.030 933 2HD LYS 124 2HD LYS 124 12.594 -12.839 0.199 934 1HE LYS 124 1HE LYS 124 12.736 -14.835 -0.716 935 2HE LYS 124 2HE LYS 124 13.461 -15.339 0.811 936 1HZ LYS 124 1HZ LYS 124 10.577 -15.560 0.175 937 2HZ LYS 124 2HZ LYS 124 11.667 -16.770 -0.038 938 3HZ LYS 124 3HZ LYS 124 11.319 -16.226 1.474 939 H LEU 125 H LEU 125 12.650 -10.361 5.008 940 HA LEU 125 HA LEU 125 15.350 -9.986 3.916 941 1HB LEU 125 1HB LEU 125 13.294 -8.038 5.034 942 2HB LEU 125 2HB LEU 125 14.870 -7.541 4.551 943 HG LEU 125 HG LEU 125 13.032 -8.971 2.580 944 1HD1 LEU 125 1HD1 LEU 125 11.969 -6.841 3.331 945 2HD1 LEU 125 2HD1 LEU 125 13.434 -5.964 2.897 946 3HD1 LEU 125 3HD1 LEU 125 12.491 -6.811 1.644 947 1HD2 LEU 125 1HD2 LEU 125 15.628 -7.379 2.463 948 2HD2 LEU 125 2HD2 LEU 125 15.316 -9.043 1.882 949 3HD2 LEU 125 3HD2 LEU 125 14.636 -7.679 1.002 950 H ASN 126 H ASN 126 16.921 -8.773 5.125 951 HA ASN 126 HA ASN 126 17.097 -9.503 7.933 952 1HB ASN 126 1HB ASN 126 19.396 -8.980 7.610 953 2HB ASN 126 2HB ASN 126 18.887 -10.100 6.375 954 1HD2 ASN 126 1HD2 ASN 126 20.765 -9.523 5.126 955 2HD2 ASN 126 2HD2 ASN 126 20.799 -8.010 4.240 956 H TRP 127 H TRP 127 15.895 -6.886 6.227 957 HA TRP 127 HA TRP 127 16.412 -5.084 8.553 958 1HB TRP 127 1HB TRP 127 16.365 -3.173 7.073 959 2HB TRP 127 2HB TRP 127 17.642 -4.276 6.638 960 HD1 TRP 127 HD1 TRP 127 17.046 -5.921 4.419 961 HE1 TRP 127 HE1 TRP 127 15.897 -5.264 2.234 962 HE3 TRP 127 HE3 TRP 127 14.842 -1.544 5.911 963 HZ2 TRP 127 HZ2 TRP 127 14.122 -3.219 1.290 964 HZ3 TRP 127 HZ3 TRP 127 13.538 -0.191 4.273 965 HH2 TRP 127 HH2 TRP 127 13.151 -1.055 1.962 966 H ALA 128 H ALA 128 14.626 -3.168 8.300 967 HA ALA 128 HA ALA 128 11.950 -4.451 8.050 968 1HB ALA 128 1HB ALA 128 12.939 -3.017 10.533 969 2HB ALA 128 2HB ALA 128 12.537 -4.742 10.370 970 3HB ALA 128 3HB ALA 128 11.269 -3.513 10.201 971 HA PRO 129 HA PRO 129 11.963 -0.375 5.814 972 1HB PRO 129 1HB PRO 129 9.424 -1.452 4.772 973 2HB PRO 129 2HB PRO 129 10.848 -0.859 3.885 974 1HG PRO 129 1HG PRO 129 10.144 -3.553 4.062 975 2HG PRO 129 2HG PRO 129 11.816 -2.995 3.847 976 1HD PRO 129 1HD PRO 129 10.439 -3.938 6.323 977 2HD PRO 129 2HD PRO 129 12.143 -4.139 5.810 978 H SER 130 H SER 130 10.749 1.529 6.410 979 HA SER 130 HA SER 130 8.818 1.290 8.553 980 1HB SER 130 1HB SER 130 9.021 3.556 6.569 981 2HB SER 130 2HB SER 130 8.458 3.609 8.229 982 HG SER 130 HG SER 130 10.414 3.439 9.021 983 H MET 131 H MET 131 6.534 1.578 8.338 984 HA MET 131 HA MET 131 5.443 0.059 6.338 985 1HB MET 131 1HB MET 131 4.656 1.139 8.796 986 2HB MET 131 2HB MET 131 3.594 1.981 7.657 987 1HG MET 131 1HG MET 131 3.912 -0.833 7.167 988 2HG MET 131 2HG MET 131 3.164 -0.476 8.685 989 1HE MET 131 1HE MET 131 2.349 -1.900 5.817 990 2HE MET 131 2HE MET 131 1.310 -2.174 7.228 991 3HE MET 131 3HE MET 131 0.610 -1.584 5.704 992 H ASP 132 H ASP 132 5.652 3.628 6.490 993 HA ASP 132 HA ASP 132 3.918 4.191 4.340 994 1HB ASP 132 1HB ASP 132 6.387 5.598 5.394 995 2HB ASP 132 2HB ASP 132 5.502 6.203 3.997 996 H VAL 133 H VAL 133 7.209 2.892 4.313 997 HA VAL 133 HA VAL 133 7.576 3.253 1.436 998 HB VAL 133 HB VAL 133 9.143 1.659 3.511 999 1HG1 VAL 133 1HG1 VAL 133 9.739 2.175 0.574 1000 2HG1 VAL 133 2HG1 VAL 133 10.902 1.534 1.795 1001 3HG1 VAL 133 3HG1 VAL 133 9.468 0.618 1.380 1002 1HG2 VAL 133 1HG2 VAL 133 9.708 4.322 2.144 1003 2HG2 VAL 133 2HG2 VAL 133 9.332 4.078 3.865 1004 3HG2 VAL 133 3HG2 VAL 133 10.843 3.460 3.185 1005 H ALA 134 H ALA 134 7.169 0.318 3.587 1006 HA ALA 134 HA ALA 134 6.866 -1.449 1.443 1007 1HB ALA 134 1HB ALA 134 7.113 -2.089 3.905 1008 2HB ALA 134 2HB ALA 134 5.921 -3.011 2.962 1009 3HB ALA 134 3HB ALA 134 5.396 -1.724 4.107 1010 H VAL 135 H VAL 135 4.399 0.786 2.684 1011 HA VAL 135 HA VAL 135 2.283 -0.512 1.064 1012 HB VAL 135 HB VAL 135 2.179 2.064 2.676 1013 1HG1 VAL 135 1HG1 VAL 135 0.017 0.367 1.322 1014 2HG1 VAL 135 2HG1 VAL 135 -0.264 1.810 2.309 1015 3HG1 VAL 135 3HG1 VAL 135 0.578 1.958 0.781 1016 1HG2 VAL 135 1HG2 VAL 135 2.443 0.037 4.164 1017 2HG2 VAL 135 2HG2 VAL 135 0.869 0.796 4.303 1018 3HG2 VAL 135 3HG2 VAL 135 1.034 -0.690 3.365 1019 H GLY 136 H GLY 136 4.119 2.656 1.154 1020 1HA GLY 136 1HA GLY 136 4.446 4.197 -0.431 1021 2HA GLY 136 2HA GLY 136 2.848 3.816 -1.025 1022 H GLU 137 H GLU 137 5.535 1.436 -0.964 1023 HA GLU 137 HA GLU 137 6.218 1.820 -3.743 1024 1HB GLU 137 1HB GLU 137 7.005 -0.327 -1.749 1025 2HB GLU 137 2HB GLU 137 7.660 -0.112 -3.378 1026 1HG GLU 137 1HG GLU 137 8.299 2.334 -2.550 1027 2HG GLU 137 2HG GLU 137 7.932 1.749 -0.979 1028 H ILE 138 H ILE 138 4.622 -0.960 -1.935 1029 HA ILE 138 HA ILE 138 4.082 -2.255 -4.387 1030 HB ILE 138 HB ILE 138 3.985 -3.428 -2.266 1031 1HG1 ILE 138 1HG1 ILE 138 1.305 -3.724 -3.665 1032 2HG1 ILE 138 2HG1 ILE 138 2.825 -4.313 -4.333 1033 1HG2 ILE 138 1HG2 ILE 138 2.768 -1.676 -0.949 1034 2HG2 ILE 138 2HG2 ILE 138 1.265 -2.121 -1.773 1035 3HG2 ILE 138 3HG2 ILE 138 2.095 -3.283 -0.712 1036 1HD1 ILE 138 1HD1 ILE 138 1.761 -5.293 -1.643 1037 2HD1 ILE 138 2HD1 ILE 138 1.376 -6.056 -3.186 1038 3HD1 ILE 138 3HD1 ILE 138 3.044 -6.020 -2.635 1039 H LEU 139 H LEU 139 2.414 0.430 -2.895 1040 HA LEU 139 HA LEU 139 0.058 0.334 -4.617 1041 1HB LEU 139 1HB LEU 139 1.377 2.582 -3.040 1042 2HB LEU 139 2HB LEU 139 -0.061 2.778 -3.971 1043 HG LEU 139 HG LEU 139 0.293 1.078 -1.482 1044 1HD1 LEU 139 1HD1 LEU 139 -0.020 3.495 -1.212 1045 2HD1 LEU 139 2HD1 LEU 139 -1.514 3.424 -2.161 1046 3HD1 LEU 139 3HD1 LEU 139 -1.408 2.566 -0.604 1047 1HD2 LEU 139 1HD2 LEU 139 -2.189 1.168 -3.175 1048 2HD2 LEU 139 2HD2 LEU 139 -1.164 -0.247 -2.907 1049 3HD2 LEU 139 3HD2 LEU 139 -2.059 0.461 -1.562 1050 H ALA 140 H ALA 140 3.159 2.147 -4.718 1051 HA ALA 140 HA ALA 140 2.758 3.403 -7.225 1052 1HB ALA 140 1HB ALA 140 4.732 3.907 -5.948 1053 2HB ALA 140 2HB ALA 140 5.324 2.232 -6.077 1054 3HB ALA 140 3HB ALA 140 5.231 3.234 -7.521 1055 H GLU 141 H GLU 141 3.569 0.020 -6.542 1056 HA GLU 141 HA GLU 141 4.254 -0.476 -9.298 1057 1HB GLU 141 1HB GLU 141 4.158 -2.140 -6.756 1058 2HB GLU 141 2HB GLU 141 4.828 -2.698 -8.325 1059 1HG GLU 141 1HG GLU 141 6.423 -0.848 -8.337 1060 2HG GLU 141 2HG GLU 141 5.831 -0.202 -6.832 1061 H VAL 142 H VAL 142 1.596 -1.676 -7.167 1062 HA VAL 142 HA VAL 142 1.062 -3.761 -9.084 1063 HB VAL 142 HB VAL 142 0.221 -3.054 -6.298 1064 1HG1 VAL 142 1HG1 VAL 142 -1.404 -4.824 -8.063 1065 2HG1 VAL 142 2HG1 VAL 142 -1.289 -5.103 -6.310 1066 3HG1 VAL 142 3HG1 VAL 142 -1.951 -3.567 -6.935 1067 1HG2 VAL 142 1HG2 VAL 142 2.219 -4.401 -6.787 1068 2HG2 VAL 142 2HG2 VAL 142 1.019 -5.333 -5.886 1069 3HG2 VAL 142 3HG2 VAL 142 1.224 -5.600 -7.633 No H/Q in entry = 1069 Start of MODEL 17 1 H SER 1 H SER 1 3.147 19.469 19.207 2 HA SER 1 HA SER 1 3.352 18.647 21.513 3 1HB SER 1 1HB SER 1 0.323 18.703 21.370 4 2HB SER 1 2HB SER 1 1.291 17.888 22.617 5 HG SER 1 HG SER 1 1.049 19.790 23.515 6 H GLN 2 H GLN 2 4.445 17.052 20.370 7 HA GLN 2 HA GLN 2 5.041 15.658 18.971 8 1HB GLN 2 1HB GLN 2 3.929 13.888 18.397 9 2HB GLN 2 2HB GLN 2 2.906 14.302 19.721 10 1HG GLN 2 1HG GLN 2 1.684 15.712 17.700 11 2HG GLN 2 2HG GLN 2 2.292 14.333 16.786 12 1HE2 GLN 2 1HE2 GLN 2 -0.417 14.608 16.707 13 2HE2 GLN 2 2HE2 GLN 2 -1.232 13.698 17.944 14 H GLU 3 H GLU 3 4.793 15.518 16.395 15 HA GLU 3 HA GLU 3 3.633 17.910 15.200 16 1HB GLU 3 1HB GLU 3 6.533 17.268 15.326 17 2HB GLU 3 2HB GLU 3 5.897 18.002 13.858 18 1HG GLU 3 1HG GLU 3 5.691 19.190 16.653 19 2HG GLU 3 2HG GLU 3 6.877 19.629 15.432 20 H VAL 4 H VAL 4 2.195 16.373 14.599 21 HA VAL 4 HA VAL 4 1.259 14.395 13.849 22 HB VAL 4 HB VAL 4 2.419 15.996 11.606 23 1HG1 VAL 4 1HG1 VAL 4 0.118 13.947 11.672 24 2HG1 VAL 4 2HG1 VAL 4 0.188 15.190 10.422 25 3HG1 VAL 4 3HG1 VAL 4 1.470 14.001 10.524 26 1HG2 VAL 4 1HG2 VAL 4 1.109 17.348 13.167 27 2HG2 VAL 4 2HG2 VAL 4 0.328 17.216 11.620 28 3HG2 VAL 4 3HG2 VAL 4 -0.273 16.234 12.977 29 H MET 5 H MET 5 3.143 13.305 15.002 30 HA MET 5 HA MET 5 4.674 11.559 13.146 31 1HB MET 5 1HB MET 5 6.495 11.628 14.696 32 2HB MET 5 2HB MET 5 6.021 13.271 14.266 33 1HG MET 5 1HG MET 5 4.605 13.221 16.440 34 2HG MET 5 2HG MET 5 5.570 11.816 16.876 35 1HE MET 5 1HE MET 5 8.335 11.961 16.711 36 2HE MET 5 2HE MET 5 8.366 13.018 15.287 37 3HE MET 5 3HE MET 5 9.218 13.503 16.751 38 H LYS 6 H LYS 6 1.997 11.219 14.341 39 HA LYS 6 HA LYS 6 2.006 8.850 16.028 40 1HB LYS 6 1HB LYS 6 0.097 10.061 13.962 41 2HB LYS 6 2HB LYS 6 -0.322 8.660 14.935 42 1HG LYS 6 1HG LYS 6 0.485 11.301 16.229 43 2HG LYS 6 2HG LYS 6 -1.153 10.941 15.712 44 1HD LYS 6 1HD LYS 6 -1.118 8.857 17.132 45 2HD LYS 6 2HD LYS 6 0.495 9.326 17.719 46 1HE LYS 6 1HE LYS 6 -0.417 11.415 18.636 47 2HE LYS 6 2HE LYS 6 -2.009 11.038 17.956 48 1HZ LYS 6 1HZ LYS 6 -2.025 9.058 19.395 49 2HZ LYS 6 2HZ LYS 6 -0.642 9.538 20.118 50 3HZ LYS 6 3HZ LYS 6 -1.993 10.463 20.238 51 H ASN 7 H ASN 7 0.655 6.958 14.532 52 HA ASN 7 HA ASN 7 2.463 5.695 12.819 53 1HB ASN 7 1HB ASN 7 0.763 4.265 12.317 54 2HB ASN 7 2HB ASN 7 0.195 4.906 13.830 55 1HD2 ASN 7 1HD2 ASN 7 -0.742 7.477 12.330 56 2HD2 ASN 7 2HD2 ASN 7 -2.288 6.963 11.695 57 H LEU 8 H LEU 8 2.337 5.449 10.555 58 HA LEU 8 HA LEU 8 2.270 5.984 8.410 59 1HB LEU 8 1HB LEU 8 0.102 5.060 9.060 60 2HB LEU 8 2HB LEU 8 -0.563 6.659 9.308 61 HG LEU 8 HG LEU 8 -1.003 5.193 7.156 62 1HD1 LEU 8 1HD1 LEU 8 -0.792 8.169 7.458 63 2HD1 LEU 8 2HD1 LEU 8 -1.220 7.503 5.904 64 3HD1 LEU 8 3HD1 LEU 8 -2.219 7.145 7.333 65 1HD2 LEU 8 1HD2 LEU 8 1.485 5.125 6.652 66 2HD2 LEU 8 2HD2 LEU 8 0.447 5.499 5.331 67 3HD2 LEU 8 3HD2 LEU 8 1.324 6.811 6.118 68 H SER 9 H SER 9 3.532 7.458 7.501 69 HA SER 9 HA SER 9 3.334 10.317 8.082 70 1HB SER 9 1HB SER 9 5.152 8.610 6.324 71 2HB SER 9 2HB SER 9 5.231 10.370 6.385 72 HG SER 9 HG SER 9 5.796 10.358 8.427 73 H LEU 10 H LEU 10 2.763 8.153 5.287 74 HA LEU 10 HA LEU 10 1.839 10.149 3.452 75 1HB LEU 10 1HB LEU 10 1.264 7.188 3.755 76 2HB LEU 10 2HB LEU 10 0.517 8.135 2.479 77 HG LEU 10 HG LEU 10 3.448 7.459 2.781 78 1HD1 LEU 10 1HD1 LEU 10 1.354 6.671 0.784 79 2HD1 LEU 10 2HD1 LEU 10 3.079 6.659 0.383 80 3HD1 LEU 10 3HD1 LEU 10 2.508 5.683 1.709 81 1HD2 LEU 10 1HD2 LEU 10 2.087 9.543 1.005 82 2HD2 LEU 10 2HD2 LEU 10 3.510 9.753 2.036 83 3HD2 LEU 10 3HD2 LEU 10 3.620 8.816 0.545 84 H ASN 11 H ASN 11 -0.612 10.051 2.657 85 HA ASN 11 HA ASN 11 -2.254 10.496 5.118 86 1HB ASN 11 1HB ASN 11 -1.629 12.473 3.592 87 2HB ASN 11 2HB ASN 11 -2.836 11.856 2.488 88 1HD2 ASN 11 1HD2 ASN 11 -2.749 14.276 4.501 89 2HD2 ASN 11 2HD2 ASN 11 -4.286 14.097 5.333 90 H PHE 12 H PHE 12 -2.644 8.068 4.977 91 HA PHE 12 HA PHE 12 -4.080 7.149 2.658 92 1HB PHE 12 1HB PHE 12 -3.306 5.960 5.303 93 2HB PHE 12 2HB PHE 12 -4.560 5.196 4.364 94 HD1 PHE 12 HD1 PHE 12 -3.978 3.787 2.410 95 HD2 PHE 12 HD2 PHE 12 -1.045 6.403 4.169 96 HE1 PHE 12 HE1 PHE 12 -2.228 2.727 1.081 97 HE2 PHE 12 HE2 PHE 12 0.736 5.305 2.841 98 HZ PHE 12 HZ PHE 12 0.148 3.485 1.256 99 H GLY 13 H GLY 13 -5.120 8.570 5.790 100 1HA GLY 13 1HA GLY 13 -7.210 9.151 6.529 101 2HA GLY 13 2HA GLY 13 -7.767 7.626 5.835 102 H LYS 14 H LYS 14 -6.475 10.539 4.149 103 HA LYS 14 HA LYS 14 -8.984 11.418 3.104 104 1HB LYS 14 1HB LYS 14 -6.063 11.918 2.605 105 2HB LYS 14 2HB LYS 14 -7.139 12.374 1.300 106 1HG LYS 14 1HG LYS 14 -7.721 13.232 4.127 107 2HG LYS 14 2HG LYS 14 -6.498 14.090 3.222 108 1HD LYS 14 1HD LYS 14 -9.358 13.668 2.310 109 2HD LYS 14 2HD LYS 14 -8.780 15.112 3.125 110 1HE LYS 14 1HE LYS 14 -7.836 14.154 0.390 111 2HE LYS 14 2HE LYS 14 -9.006 15.442 0.685 112 1HZ LYS 14 1HZ LYS 14 -7.196 16.637 1.884 113 2HZ LYS 14 2HZ LYS 14 -6.146 15.472 1.433 114 3HZ LYS 14 3HZ LYS 14 -6.853 16.411 0.311 115 H ALA 15 H ALA 15 -6.368 9.732 1.209 116 HA ALA 15 HA ALA 15 -7.847 9.234 -1.056 117 1HB ALA 15 1HB ALA 15 -5.700 7.530 0.286 118 2HB ALA 15 2HB ALA 15 -5.470 8.797 -0.926 119 3HB ALA 15 3HB ALA 15 -6.293 7.296 -1.374 120 H LEU 16 H LEU 16 -7.985 7.289 2.013 121 HA LEU 16 HA LEU 16 -9.617 5.181 0.854 122 1HB LEU 16 1HB LEU 16 -8.910 6.080 3.661 123 2HB LEU 16 2HB LEU 16 -10.272 4.997 3.454 124 HG LEU 16 HG LEU 16 -7.787 4.263 1.980 125 1HD1 LEU 16 1HD1 LEU 16 -6.918 4.841 4.260 126 2HD1 LEU 16 2HD1 LEU 16 -8.057 3.657 4.945 127 3HD1 LEU 16 3HD1 LEU 16 -6.789 3.116 3.817 128 1HD2 LEU 16 1HD2 LEU 16 -9.909 2.894 1.957 129 2HD2 LEU 16 2HD2 LEU 16 -8.405 2.023 2.369 130 3HD2 LEU 16 3HD2 LEU 16 -9.525 2.462 3.647 131 H ASP 17 H ASP 17 -10.392 8.345 2.388 132 HA ASP 17 HA ASP 17 -13.251 7.970 2.526 133 1HB ASP 17 1HB ASP 17 -11.602 9.772 3.621 134 2HB ASP 17 2HB ASP 17 -11.837 10.635 2.116 135 H GLU 18 H GLU 18 -11.155 8.457 -0.190 136 HA GLU 18 HA GLU 18 -13.475 9.296 -1.848 137 1HB GLU 18 1HB GLU 18 -10.513 9.477 -2.529 138 2HB GLU 18 2HB GLU 18 -11.883 10.133 -3.425 139 1HG GLU 18 1HG GLU 18 -12.563 11.361 -1.253 140 2HG GLU 18 2HG GLU 18 -10.903 11.024 -0.759 141 H CYS 19 H CYS 19 -10.775 6.884 -1.782 142 HA CYS 19 HA CYS 19 -11.733 5.309 -3.928 143 1HB CYS 19 1HB CYS 19 -9.897 4.917 -1.601 144 2HB CYS 19 2HB CYS 19 -10.596 3.477 -2.297 145 H LYS 20 H LYS 20 -12.738 5.322 -0.490 146 HA LYS 20 HA LYS 20 -14.516 3.046 -0.704 147 1HB LYS 20 1HB LYS 20 -15.423 3.797 1.369 148 2HB LYS 20 2HB LYS 20 -13.709 4.189 1.405 149 1HG LYS 20 1HG LYS 20 -14.401 6.168 2.160 150 2HG LYS 20 2HG LYS 20 -14.540 6.539 0.451 151 1HD LYS 20 1HD LYS 20 -16.433 7.361 1.579 152 2HD LYS 20 2HD LYS 20 -17.033 5.989 0.603 153 1HE LYS 20 1HE LYS 20 -16.983 4.526 2.616 154 2HE LYS 20 2HE LYS 20 -16.033 5.713 3.497 155 1HZ LYS 20 1HZ LYS 20 -17.961 7.170 3.516 156 2HZ LYS 20 2HZ LYS 20 -18.893 5.959 2.868 157 3HZ LYS 20 3HZ LYS 20 -18.182 5.795 4.340 158 H LYS 21 H LYS 21 -14.805 6.147 -2.263 159 HA LYS 21 HA LYS 21 -17.663 5.693 -2.513 160 1HB LYS 21 1HB LYS 21 -15.965 7.957 -3.624 161 2HB LYS 21 2HB LYS 21 -17.731 7.814 -3.674 162 1HG LYS 21 1HG LYS 21 -17.795 7.680 -1.193 163 2HG LYS 21 2HG LYS 21 -16.044 7.892 -1.127 164 1HD LYS 21 1HD LYS 21 -16.218 10.136 -2.080 165 2HD LYS 21 2HD LYS 21 -18.002 9.958 -2.185 166 1HE LYS 21 1HE LYS 21 -18.084 9.452 0.241 167 2HE LYS 21 2HE LYS 21 -16.329 9.628 0.358 168 1HZ LYS 21 1HZ LYS 21 -18.176 11.799 -0.408 169 2HZ LYS 21 2HZ LYS 21 -17.577 11.549 1.089 170 3HZ LYS 21 3HZ LYS 21 -16.570 11.951 -0.179 171 H GLU 22 H GLU 22 -14.631 5.733 -4.497 172 HA GLU 22 HA GLU 22 -15.815 5.541 -7.005 173 1HB GLU 22 1HB GLU 22 -13.050 4.456 -6.320 174 2HB GLU 22 2HB GLU 22 -13.633 5.029 -7.887 175 1HG GLU 22 1HG GLU 22 -14.024 7.300 -6.593 176 2HG GLU 22 2HG GLU 22 -12.868 6.611 -5.452 177 H MET 23 H MET 23 -15.441 2.839 -4.826 178 HA MET 23 HA MET 23 -15.990 0.865 -6.936 179 1HB MET 23 1HB MET 23 -15.237 -0.118 -4.270 180 2HB MET 23 2HB MET 23 -14.691 -0.573 -5.835 181 1HG MET 23 1HG MET 23 -13.202 1.589 -5.703 182 2HG MET 23 2HG MET 23 -13.604 1.464 -3.973 183 1HE MET 23 1HE MET 23 -11.805 0.100 -6.964 184 2HE MET 23 2HE MET 23 -10.844 -1.249 -6.342 185 3HE MET 23 3HE MET 23 -12.586 -1.468 -6.639 186 H THR 24 H THR 24 -17.658 2.743 -4.863 187 HA THR 24 HA THR 24 -18.835 2.608 -2.996 188 HB THR 24 HB THR 24 -20.559 0.794 -4.713 189 HG1 THR 24 HG1 THR 24 -20.018 2.712 -5.826 190 1HG2 THR 24 1HG2 THR 24 -21.313 1.083 -2.329 191 2HG2 THR 24 2HG2 THR 24 -21.253 2.838 -2.568 192 3HG2 THR 24 3HG2 THR 24 -22.404 1.849 -3.507 193 H LEU 25 H LEU 25 -17.009 1.512 -1.979 194 HA LEU 25 HA LEU 25 -17.237 -1.268 -1.097 195 1HB LEU 25 1HB LEU 25 -15.618 0.986 0.137 196 2HB LEU 25 2HB LEU 25 -15.444 -0.725 0.456 197 HG LEU 25 HG LEU 25 -14.758 0.516 -2.223 198 1HD1 LEU 25 1HD1 LEU 25 -13.092 -0.059 0.212 199 2HD1 LEU 25 2HD1 LEU 25 -12.381 -0.008 -1.428 200 3HD1 LEU 25 3HD1 LEU 25 -13.172 1.405 -0.753 201 1HD2 LEU 25 1HD2 LEU 25 -15.345 -1.870 -2.394 202 2HD2 LEU 25 2HD2 LEU 25 -13.648 -1.562 -2.733 203 3HD2 LEU 25 3HD2 LEU 25 -14.133 -2.256 -1.156 204 H THR 26 H THR 26 -17.026 -1.242 1.628 205 HA THR 26 HA THR 26 -19.622 -0.249 2.584 206 HB THR 26 HB THR 26 -18.993 -1.220 4.725 207 HG1 THR 26 HG1 THR 26 -16.575 -2.019 3.529 208 1HG2 THR 26 1HG2 THR 26 -18.473 -3.124 2.413 209 2HG2 THR 26 2HG2 THR 26 -18.656 -3.614 4.104 210 3HG2 THR 26 3HG2 THR 26 -19.996 -2.813 3.274 211 H ASP 27 H ASP 27 -19.293 0.898 4.976 212 HA ASP 27 HA ASP 27 -17.435 3.213 4.677 213 1HB ASP 27 1HB ASP 27 -19.808 3.401 5.595 214 2HB ASP 27 2HB ASP 27 -19.245 2.472 6.994 215 H ALA 28 H ALA 28 -17.672 0.088 6.012 216 HA ALA 28 HA ALA 28 -15.769 0.347 8.198 217 1HB ALA 28 1HB ALA 28 -17.644 -1.166 8.455 218 2HB ALA 28 2HB ALA 28 -16.139 -2.107 8.419 219 3HB ALA 28 3HB ALA 28 -17.181 -2.070 6.985 220 H ILE 29 H ILE 29 -14.477 1.329 6.336 221 HA ILE 29 HA ILE 29 -12.365 -0.563 5.370 222 HB ILE 29 HB ILE 29 -12.272 0.547 3.354 223 1HG1 ILE 29 1HG1 ILE 29 -14.314 2.247 2.836 224 2HG1 ILE 29 2HG1 ILE 29 -14.125 2.594 4.559 225 1HG2 ILE 29 1HG2 ILE 29 -13.981 -1.227 3.558 226 2HG2 ILE 29 2HG2 ILE 29 -15.218 0.040 3.774 227 3HG2 ILE 29 3HG2 ILE 29 -14.298 -0.062 2.271 228 1HD1 ILE 29 1HD1 ILE 29 -11.615 2.768 4.060 229 2HD1 ILE 29 2HD1 ILE 29 -12.048 2.719 2.354 230 3HD1 ILE 29 3HD1 ILE 29 -12.620 4.072 3.386 231 H ASN 30 H ASN 30 -13.105 2.714 6.659 232 HA ASN 30 HA ASN 30 -10.412 3.562 6.317 233 1HB ASN 30 1HB ASN 30 -12.616 4.822 7.241 234 2HB ASN 30 2HB ASN 30 -11.769 4.564 8.742 235 1HD2 ASN 30 1HD2 ASN 30 -9.733 5.637 9.197 236 2HD2 ASN 30 2HD2 ASN 30 -9.015 6.722 8.041 237 H GLU 31 H GLU 31 -12.058 2.193 9.019 238 HA GLU 31 HA GLU 31 -9.641 1.867 10.660 239 1HB GLU 31 1HB GLU 31 -12.443 0.727 10.914 240 2HB GLU 31 2HB GLU 31 -11.167 0.430 12.094 241 1HG GLU 31 1HG GLU 31 -12.162 3.220 11.329 242 2HG GLU 31 2HG GLU 31 -12.758 2.291 12.700 243 H ASP 32 H ASP 32 -11.739 -0.489 8.923 244 HA ASP 32 HA ASP 32 -10.417 -2.798 9.603 245 1HB ASP 32 1HB ASP 32 -12.448 -2.027 7.747 246 2HB ASP 32 2HB ASP 32 -11.345 -3.083 6.879 247 H PHE 33 H PHE 33 -9.541 -0.546 7.013 248 HA PHE 33 HA PHE 33 -7.585 -2.122 5.688 249 1HB PHE 33 1HB PHE 33 -8.720 -0.107 4.827 250 2HB PHE 33 2HB PHE 33 -7.858 0.896 5.984 251 HD1 PHE 33 HD1 PHE 33 -5.537 1.552 5.637 252 HD2 PHE 33 HD2 PHE 33 -7.441 -1.284 3.012 253 HE1 PHE 33 HE1 PHE 33 -3.678 1.805 4.030 254 HE2 PHE 33 HE2 PHE 33 -5.564 -1.026 1.391 255 HZ PHE 33 HZ PHE 33 -3.672 0.509 1.907 256 H TYR 34 H TYR 34 -7.291 0.185 8.354 257 HA TYR 34 HA TYR 34 -4.357 -0.067 8.519 258 1HB TYR 34 1HB TYR 34 -6.416 1.194 10.360 259 2HB TYR 34 2HB TYR 34 -4.712 1.101 10.742 260 HD1 TYR 34 HD1 TYR 34 -3.491 3.107 10.379 261 HD2 TYR 34 HD2 TYR 34 -6.819 2.189 7.794 262 HE1 TYR 34 HE1 TYR 34 -3.251 5.295 9.276 263 HE2 TYR 34 HE2 TYR 34 -6.619 4.344 6.700 264 HH TYR 34 HH TYR 34 -5.695 6.547 7.071 265 H ASN 35 H ASN 35 -7.232 -1.365 10.095 266 HA ASN 35 HA ASN 35 -5.964 -2.832 12.178 267 1HB ASN 35 1HB ASN 35 -8.641 -3.298 10.812 268 2HB ASN 35 2HB ASN 35 -8.109 -4.067 12.305 269 1HD2 ASN 35 1HD2 ASN 35 -10.425 -2.728 12.573 270 2HD2 ASN 35 2HD2 ASN 35 -10.148 -1.216 13.446 271 H PHE 36 H PHE 36 -6.413 -3.651 8.725 272 HA PHE 36 HA PHE 36 -6.239 -6.391 8.706 273 1HB PHE 36 1HB PHE 36 -6.379 -5.198 6.630 274 2HB PHE 36 2HB PHE 36 -4.924 -4.277 6.962 275 HD1 PHE 36 HD1 PHE 36 -3.440 -4.623 5.206 276 HD2 PHE 36 HD2 PHE 36 -5.408 -8.030 6.944 277 HE1 PHE 36 HE1 PHE 36 -2.134 -6.140 3.725 278 HE2 PHE 36 HE2 PHE 36 -4.119 -9.517 5.440 279 HZ PHE 36 HZ PHE 36 -2.504 -8.550 3.780 280 H TRP 37 H TRP 37 -3.700 -3.987 9.369 281 HA TRP 37 HA TRP 37 -1.404 -5.688 9.252 282 1HB TRP 37 1HB TRP 37 -1.614 -3.016 10.643 283 2HB TRP 37 2HB TRP 37 -0.214 -3.731 9.869 284 HD1 TRP 37 HD1 TRP 37 -1.826 -4.352 7.065 285 HE1 TRP 37 HE1 TRP 37 -2.488 -2.419 5.518 286 HE3 TRP 37 HE3 TRP 37 -1.283 -0.438 10.337 287 HZ2 TRP 37 HZ2 TRP 37 -2.604 0.434 5.625 288 HZ3 TRP 37 HZ3 TRP 37 -1.635 1.887 9.571 289 HH2 TRP 37 HH2 TRP 37 -2.355 2.348 7.242 290 H LYS 38 H LYS 38 -3.775 -5.225 11.769 291 HA LYS 38 HA LYS 38 -1.942 -5.072 13.965 292 1HB LYS 38 1HB LYS 38 -4.964 -5.484 13.792 293 2HB LYS 38 2HB LYS 38 -4.092 -5.334 15.314 294 1HG LYS 38 1HG LYS 38 -3.220 -3.142 14.661 295 2HG LYS 38 2HG LYS 38 -3.999 -3.244 13.086 296 1HD LYS 38 1HD LYS 38 -6.227 -3.121 14.091 297 2HD LYS 38 2HD LYS 38 -5.593 -3.386 15.634 298 1HE LYS 38 1HE LYS 38 -4.485 -1.231 15.738 299 2HE LYS 38 2HE LYS 38 -4.790 -0.950 14.020 300 1HZ LYS 38 1HZ LYS 38 -7.016 -1.215 15.952 301 2HZ LYS 38 2HZ LYS 38 -6.344 0.248 15.525 302 3HZ LYS 38 3HZ LYS 38 -7.073 -0.714 14.426 303 H GLU 39 H GLU 39 -1.383 -6.623 15.516 304 HA GLU 39 HA GLU 39 -1.279 -9.346 14.692 305 1HB GLU 39 1HB GLU 39 -0.739 -7.889 17.297 306 2HB GLU 39 2HB GLU 39 -0.856 -9.651 17.285 307 1HG GLU 39 1HG GLU 39 1.395 -9.373 17.018 308 2HG GLU 39 2HG GLU 39 0.867 -9.609 15.357 309 H GLY 40 H GLY 40 -2.423 -11.170 15.392 310 1HA GLY 40 1HA GLY 40 -4.629 -11.065 17.237 311 2HA GLY 40 2HA GLY 40 -4.203 -12.389 16.142 312 H TYR 41 H TYR 41 -4.427 -9.940 13.960 313 HA TYR 41 HA TYR 41 -7.318 -10.347 13.465 314 1HB TYR 41 1HB TYR 41 -5.505 -8.026 13.320 315 2HB TYR 41 2HB TYR 41 -6.519 -8.247 11.944 316 HD1 TYR 41 HD1 TYR 41 -6.268 -6.738 15.067 317 HD2 TYR 41 HD2 TYR 41 -9.131 -8.640 12.472 318 HE1 TYR 41 HE1 TYR 41 -7.980 -5.211 15.890 319 HE2 TYR 41 HE2 TYR 41 -10.914 -7.195 13.370 320 HH TYR 41 HH TYR 41 -10.400 -4.631 15.817 321 H GLU 42 H GLU 42 -7.827 -11.154 11.401 322 HA GLU 42 HA GLU 42 -5.706 -11.484 9.398 323 1HB GLU 42 1HB GLU 42 -6.298 -13.510 10.805 324 2HB GLU 42 2HB GLU 42 -7.952 -13.418 10.181 325 1HG GLU 42 1HG GLU 42 -6.971 -13.587 7.852 326 2HG GLU 42 2HG GLU 42 -5.387 -13.696 8.635 327 H ILE 43 H ILE 43 -6.872 -9.206 8.900 328 HA ILE 43 HA ILE 43 -9.498 -9.557 7.696 329 HB ILE 43 HB ILE 43 -7.807 -7.069 7.479 330 1HG1 ILE 43 1HG1 ILE 43 -9.927 -6.564 9.188 331 2HG1 ILE 43 2HG1 ILE 43 -9.460 -8.223 9.647 332 1HG2 ILE 43 1HG2 ILE 43 -9.738 -7.502 5.860 333 2HG2 ILE 43 2HG2 ILE 43 -10.814 -7.518 7.243 334 3HG2 ILE 43 3HG2 ILE 43 -9.897 -6.044 6.856 335 1HD1 ILE 43 1HD1 ILE 43 -7.272 -7.406 10.145 336 2HD1 ILE 43 2HD1 ILE 43 -7.952 -5.749 9.819 337 3HD1 ILE 43 3HD1 ILE 43 -8.579 -6.696 11.132 338 H LYS 44 H LYS 44 -8.993 -11.291 6.222 339 HA LYS 44 HA LYS 44 -7.093 -10.610 3.996 340 1HB LYS 44 1HB LYS 44 -7.564 -13.256 5.438 341 2HB LYS 44 2HB LYS 44 -6.699 -13.104 3.909 342 1HG LYS 44 1HG LYS 44 -5.090 -11.508 5.002 343 2HG LYS 44 2HG LYS 44 -5.897 -11.817 6.539 344 1HD LYS 44 1HD LYS 44 -4.075 -13.264 6.626 345 2HD LYS 44 2HD LYS 44 -5.375 -14.338 6.072 346 1HE LYS 44 1HE LYS 44 -4.571 -13.930 3.700 347 2HE LYS 44 2HE LYS 44 -3.238 -12.977 4.372 348 1HZ LYS 44 1HZ LYS 44 -2.580 -15.043 5.603 349 2HZ LYS 44 2HZ LYS 44 -3.740 -15.856 4.721 350 3HZ LYS 44 3HZ LYS 44 -2.468 -15.191 3.983 351 H ASN 45 H ASN 45 -9.456 -9.630 3.568 352 HA ASN 45 HA ASN 45 -11.004 -11.695 2.060 353 1HB ASN 45 1HB ASN 45 -12.959 -10.793 2.731 354 2HB ASN 45 2HB ASN 45 -12.026 -10.288 4.123 355 1HD2 ASN 45 1HD2 ASN 45 -14.315 -9.373 2.043 356 2HD2 ASN 45 2HD2 ASN 45 -14.160 -7.695 2.227 357 H ARG 46 H ARG 46 -12.506 -10.394 0.438 358 HA ARG 46 HA ARG 46 -10.909 -9.625 -1.692 359 1HB ARG 46 1HB ARG 46 -13.653 -8.685 -1.967 360 2HB ARG 46 2HB ARG 46 -12.669 -9.633 -3.042 361 1HG ARG 46 1HG ARG 46 -13.133 -11.621 -1.684 362 2HG ARG 46 2HG ARG 46 -13.855 -10.596 -0.503 363 1HD ARG 46 1HD ARG 46 -15.155 -11.927 -2.564 364 2HD ARG 46 2HD ARG 46 -15.826 -10.818 -1.357 365 HE ARG 46 HE ARG 46 -14.844 -10.001 -4.091 366 1HH1 ARG 46 1HH1 ARG 46 -16.503 -8.947 -5.349 367 2HH1 ARG 46 2HH1 ARG 46 -17.831 -8.146 -4.550 368 1HH2 ARG 46 1HH2 ARG 46 -16.632 -8.870 -1.384 369 2HH2 ARG 46 2HH2 ARG 46 -18.048 -8.362 -2.184 370 H GLU 47 H GLU 47 -13.150 -7.622 0.290 371 HA GLU 47 HA GLU 47 -12.636 -5.221 -1.008 372 1HB GLU 47 1HB GLU 47 -13.609 -5.697 1.827 373 2HB GLU 47 2HB GLU 47 -13.511 -4.114 1.052 374 1HG GLU 47 1HG GLU 47 -15.678 -4.686 0.577 375 2HG GLU 47 2HG GLU 47 -14.856 -5.118 -0.901 376 H THR 48 H THR 48 -10.730 -6.663 1.611 377 HA THR 48 HA THR 48 -9.100 -4.426 2.233 378 HB THR 48 HB THR 48 -8.246 -7.348 2.071 379 HG1 THR 48 HG1 THR 48 -10.197 -7.077 3.287 380 1HG2 THR 48 1HG2 THR 48 -6.400 -5.698 2.550 381 2HG2 THR 48 2HG2 THR 48 -7.330 -5.119 3.947 382 3HG2 THR 48 3HG2 THR 48 -6.732 -6.786 3.908 383 H GLY 49 H GLY 49 -8.701 -6.968 -0.260 384 1HA GLY 49 1HA GLY 49 -7.404 -7.039 -2.134 385 2HA GLY 49 2HA GLY 49 -6.363 -5.786 -1.466 386 H CYS 50 H CYS 50 -9.939 -5.348 -1.947 387 HA CYS 50 HA CYS 50 -9.648 -3.876 -4.370 388 1HB CYS 50 1HB CYS 50 -11.777 -3.492 -2.241 389 2HB CYS 50 2HB CYS 50 -11.805 -2.949 -3.890 390 H ALA 51 H ALA 51 -9.595 -2.876 -0.881 391 HA ALA 51 HA ALA 51 -9.401 -0.095 -1.493 392 1HB ALA 51 1HB ALA 51 -8.284 0.102 0.844 393 2HB ALA 51 2HB ALA 51 -8.542 -1.649 0.993 394 3HB ALA 51 3HB ALA 51 -9.919 -0.530 0.809 395 H ILE 52 H ILE 52 -6.838 -2.595 -0.899 396 HA ILE 52 HA ILE 52 -4.609 -0.949 -1.384 397 HB ILE 52 HB ILE 52 -5.089 -3.891 -1.923 398 1HG1 ILE 52 1HG1 ILE 52 -3.627 -2.437 0.342 399 2HG1 ILE 52 2HG1 ILE 52 -5.264 -3.068 0.455 400 1HG2 ILE 52 1HG2 ILE 52 -3.172 -3.065 -3.315 401 2HG2 ILE 52 2HG2 ILE 52 -2.399 -2.450 -1.843 402 3HG2 ILE 52 3HG2 ILE 52 -2.668 -4.195 -2.074 403 1HD1 ILE 52 1HD1 ILE 52 -4.395 -5.372 0.000 404 2HD1 ILE 52 2HD1 ILE 52 -2.750 -4.697 0.145 405 3HD1 ILE 52 3HD1 ILE 52 -3.852 -4.632 1.524 406 H MET 53 H MET 53 -6.497 -2.871 -3.807 407 HA MET 53 HA MET 53 -5.103 -2.098 -6.077 408 1HB MET 53 1HB MET 53 -6.687 -3.961 -5.916 409 2HB MET 53 2HB MET 53 -8.008 -2.870 -5.667 410 1HG MET 53 1HG MET 53 -6.431 -2.415 -8.155 411 2HG MET 53 2HG MET 53 -7.175 -3.995 -8.012 412 1HE MET 53 1HE MET 53 -9.711 -4.456 -7.796 413 2HE MET 53 2HE MET 53 -10.067 -3.330 -6.447 414 3HE MET 53 3HE MET 53 -11.005 -3.242 -7.934 415 H CYS 54 H CYS 54 -8.081 -0.448 -4.748 416 HA CYS 54 HA CYS 54 -8.049 1.602 -6.781 417 1HB CYS 54 1HB CYS 54 -10.011 1.043 -5.529 418 2HB CYS 54 2HB CYS 54 -9.276 1.537 -4.002 419 H LEU 55 H LEU 55 -6.516 1.305 -3.568 420 HA LEU 55 HA LEU 55 -5.500 4.003 -3.532 421 1HB LEU 55 1HB LEU 55 -4.765 1.462 -2.051 422 2HB LEU 55 2HB LEU 55 -3.968 2.984 -1.736 423 HG LEU 55 HG LEU 55 -6.995 2.637 -1.525 424 1HD1 LEU 55 1HD1 LEU 55 -5.826 1.213 0.100 425 2HD1 LEU 55 2HD1 LEU 55 -4.873 2.606 0.636 426 3HD1 LEU 55 3HD1 LEU 55 -6.620 2.575 0.917 427 1HD2 LEU 55 1HD2 LEU 55 -6.324 4.966 -1.908 428 2HD2 LEU 55 2HD2 LEU 55 -6.994 4.708 -0.301 429 3HD2 LEU 55 3HD2 LEU 55 -5.210 4.828 -0.530 430 H SER 56 H SER 56 -4.434 1.192 -5.334 431 HA SER 56 HA SER 56 -1.772 2.190 -5.693 432 1HB SER 56 1HB SER 56 -1.379 0.331 -6.861 433 2HB SER 56 2HB SER 56 -2.814 -0.235 -6.090 434 HG SER 56 HG SER 56 -2.325 -0.495 -8.424 435 H THR 57 H THR 57 -4.744 3.519 -6.700 436 HA THR 57 HA THR 57 -3.342 5.230 -8.654 437 HB THR 57 HB THR 57 -4.640 3.672 -9.903 438 HG1 THR 57 HG1 THR 57 -4.640 5.856 -10.556 439 1HG2 THR 57 1HG2 THR 57 -7.030 4.526 -8.241 440 2HG2 THR 57 2HG2 THR 57 -7.101 3.493 -9.700 441 3HG2 THR 57 3HG2 THR 57 -6.256 2.926 -8.268 442 H LYS 58 H LYS 58 -3.568 5.516 -5.894 443 HA LYS 58 HA LYS 58 -4.719 8.269 -5.837 444 1HB LYS 58 1HB LYS 58 -4.881 6.018 -3.826 445 2HB LYS 58 2HB LYS 58 -5.086 7.659 -3.272 446 1HG LYS 58 1HG LYS 58 -6.727 6.429 -5.479 447 2HG LYS 58 2HG LYS 58 -7.194 6.365 -3.798 448 1HD LYS 58 1HD LYS 58 -7.502 8.682 -3.648 449 2HD LYS 58 2HD LYS 58 -6.784 8.909 -5.255 450 1HE LYS 58 1HE LYS 58 -9.237 7.191 -4.724 451 2HE LYS 58 2HE LYS 58 -9.320 8.865 -5.139 452 1HZ LYS 58 1HZ LYS 58 -7.766 7.157 -6.951 453 2HZ LYS 58 2HZ LYS 58 -9.420 7.077 -7.014 454 3HZ LYS 58 3HZ LYS 58 -8.674 8.491 -7.289 455 H LEU 59 H LEU 59 -1.867 7.273 -6.362 456 HA LEU 59 HA LEU 59 -0.224 7.663 -3.986 457 1HB LEU 59 1HB LEU 59 0.503 8.312 -6.878 458 2HB LEU 59 2HB LEU 59 1.612 7.914 -5.576 459 HG LEU 59 HG LEU 59 -0.378 6.015 -6.891 460 1HD1 LEU 59 1HD1 LEU 59 1.510 6.787 -8.343 461 2HD1 LEU 59 2HD1 LEU 59 2.648 6.076 -7.173 462 3HD1 LEU 59 3HD1 LEU 59 1.475 5.056 -8.049 463 1HD2 LEU 59 1HD2 LEU 59 0.096 5.359 -4.541 464 2HD2 LEU 59 2HD2 LEU 59 0.741 4.215 -5.714 465 3HD2 LEU 59 3HD2 LEU 59 1.837 5.355 -4.909 466 H ASN 60 H ASN 60 -1.601 9.892 -6.336 467 HA ASN 60 HA ASN 60 -0.159 12.270 -5.680 468 1HB ASN 60 1HB ASN 60 -1.949 13.307 -6.985 469 2HB ASN 60 2HB ASN 60 -1.487 11.805 -7.792 470 1HD2 ASN 60 1HD2 ASN 60 -4.172 13.388 -7.626 471 2HD2 ASN 60 2HD2 ASN 60 -5.315 12.187 -7.132 472 H MET 61 H MET 61 -2.839 10.628 -4.150 473 HA MET 61 HA MET 61 -3.741 13.004 -2.648 474 1HB MET 61 1HB MET 61 -4.539 10.053 -2.755 475 2HB MET 61 2HB MET 61 -5.295 11.211 -1.692 476 1HG MET 61 1HG MET 61 -5.205 11.636 -4.671 477 2HG MET 61 2HG MET 61 -6.512 10.813 -3.836 478 1HE MET 61 1HE MET 61 -8.115 11.741 -2.213 479 2HE MET 61 2HE MET 61 -6.965 12.511 -1.086 480 3HE MET 61 3HE MET 61 -8.323 13.438 -1.765 481 H LEU 62 H LEU 62 -1.797 10.076 -2.248 482 HA LEU 62 HA LEU 62 -1.495 10.220 0.629 483 1HB LEU 62 1HB LEU 62 0.108 8.882 -1.586 484 2HB LEU 62 2HB LEU 62 0.304 8.503 0.076 485 HG LEU 62 HG LEU 62 -2.256 8.073 -1.466 486 1HD1 LEU 62 1HD1 LEU 62 0.289 6.608 -1.357 487 2HD1 LEU 62 2HD1 LEU 62 -1.077 5.593 -0.922 488 3HD1 LEU 62 3HD1 LEU 62 -1.063 6.493 -2.474 489 1HD2 LEU 62 1HD2 LEU 62 -1.371 7.107 1.267 490 2HD2 LEU 62 2HD2 LEU 62 -2.685 8.251 0.905 491 3HD2 LEU 62 3HD2 LEU 62 -2.835 6.563 0.420 492 H ASP 63 H ASP 63 0.518 10.945 -2.205 493 HA ASP 63 HA ASP 63 2.320 12.550 -0.452 494 1HB ASP 63 1HB ASP 63 3.410 10.596 -1.506 495 2HB ASP 63 2HB ASP 63 3.118 11.333 -3.089 496 HA PRO 64 HA PRO 64 0.131 15.595 -3.107 497 1HB PRO 64 1HB PRO 64 0.388 17.726 -1.369 498 2HB PRO 64 2HB PRO 64 -0.933 16.504 -1.239 499 1HG PRO 64 1HG PRO 64 1.730 16.627 0.212 500 2HG PRO 64 2HG PRO 64 0.115 16.355 0.935 501 1HD PRO 64 1HD PRO 64 1.753 14.308 0.420 502 2HD PRO 64 2HD PRO 64 0.015 14.147 0.030 503 H GLU 65 H GLU 65 3.243 15.781 -1.444 504 HA GLU 65 HA GLU 65 4.270 18.076 -2.799 505 1HB GLU 65 1HB GLU 65 5.685 15.670 -1.582 506 2HB GLU 65 2HB GLU 65 6.514 17.063 -2.275 507 1HG GLU 65 1HG GLU 65 5.235 18.532 -0.672 508 2HG GLU 65 2HG GLU 65 4.722 17.066 0.165 509 H GLY 66 H GLY 66 3.822 14.753 -3.838 510 1HA GLY 66 1HA GLY 66 4.374 15.502 -6.579 511 2HA GLY 66 2HA GLY 66 3.709 13.972 -5.986 512 H ASN 67 H ASN 67 5.655 13.186 -4.203 513 HA ASN 67 HA ASN 67 8.223 12.876 -5.658 514 1HB ASN 67 1HB ASN 67 7.348 12.484 -2.783 515 2HB ASN 67 2HB ASN 67 8.871 11.870 -3.372 516 1HD2 ASN 67 1HD2 ASN 67 6.983 14.713 -2.935 517 2HD2 ASN 67 2HD2 ASN 67 8.286 15.910 -2.859 518 H LEU 68 H LEU 68 5.298 11.184 -4.975 519 HA LEU 68 HA LEU 68 6.567 8.516 -5.317 520 1HB LEU 68 1HB LEU 68 5.296 8.930 -3.222 521 2HB LEU 68 2HB LEU 68 3.872 9.363 -4.168 522 HG LEU 68 HG LEU 68 3.714 7.078 -5.059 523 1HD1 LEU 68 1HD1 LEU 68 6.177 6.517 -3.350 524 2HD1 LEU 68 2HD1 LEU 68 5.131 5.268 -4.057 525 3HD1 LEU 68 3HD1 LEU 68 6.026 6.347 -5.119 526 1HD2 LEU 68 1HD2 LEU 68 4.028 7.235 -2.022 527 2HD2 LEU 68 2HD2 LEU 68 2.562 7.623 -2.957 528 3HD2 LEU 68 3HD2 LEU 68 3.174 5.963 -2.905 529 H HIS 69 H HIS 69 6.272 7.598 -7.308 530 HA HIS 69 HA HIS 69 4.242 8.718 -9.166 531 1HB HIS 69 1HB HIS 69 7.085 7.864 -9.813 532 2HB HIS 69 2HB HIS 69 6.009 8.621 -10.909 533 HD1 HIS 69 HD1 HIS 69 5.886 11.407 -10.758 534 HD2 HIS 69 HD2 HIS 69 8.222 9.416 -7.839 535 HE1 HIS 69 HE1 HIS 69 7.180 13.183 -9.529 536 H HIS 70 H HIS 70 3.911 7.137 -10.993 537 HA HIS 70 HA HIS 70 3.404 4.447 -9.872 538 1HB HIS 70 1HB HIS 70 1.662 5.529 -11.065 539 2HB HIS 70 2HB HIS 70 2.653 5.752 -12.511 540 HD1 HIS 70 HD1 HIS 70 -0.069 4.384 -12.887 541 HD2 HIS 70 HD2 HIS 70 3.369 2.303 -11.669 542 HE1 HIS 70 HE1 HIS 70 -0.466 1.949 -13.467 543 H GLY 71 H GLY 71 5.104 3.189 -9.850 544 1HA GLY 71 1HA GLY 71 6.881 2.832 -12.159 545 2HA GLY 71 2HA GLY 71 6.932 1.956 -10.625 546 H ASN 72 H ASN 72 6.985 4.940 -9.325 547 HA ASN 72 HA ASN 72 9.813 4.652 -9.027 548 1HB ASN 72 1HB ASN 72 9.467 6.473 -10.949 549 2HB ASN 72 2HB ASN 72 9.150 7.534 -9.597 550 1HD2 ASN 72 1HD2 ASN 72 11.422 7.713 -11.234 551 2HD2 ASN 72 2HD2 ASN 72 12.867 7.388 -10.309 552 H ALA 73 H ALA 73 9.630 4.256 -6.922 553 HA ALA 73 HA ALA 73 8.529 6.445 -5.228 554 1HB ALA 73 1HB ALA 73 7.286 4.259 -5.105 555 2HB ALA 73 2HB ALA 73 8.037 4.747 -3.568 556 3HB ALA 73 3HB ALA 73 8.782 3.497 -4.570 557 H MET 74 H MET 74 11.521 5.759 -6.484 558 HA MET 74 HA MET 74 12.857 4.700 -4.168 559 1HB MET 74 1HB MET 74 13.848 5.861 -6.812 560 2HB MET 74 2HB MET 74 14.877 5.167 -5.551 561 1HG MET 74 1HG MET 74 13.605 3.038 -5.705 562 2HG MET 74 2HG MET 74 12.769 3.681 -7.122 563 1HE MET 74 1HE MET 74 13.707 1.252 -8.015 564 2HE MET 74 2HE MET 74 15.432 0.923 -8.293 565 3HE MET 74 3HE MET 74 14.800 0.987 -6.640 566 H GLU 75 H GLU 75 12.368 7.904 -5.548 567 HA GLU 75 HA GLU 75 14.290 9.241 -3.769 568 1HB GLU 75 1HB GLU 75 11.921 10.130 -5.480 569 2HB GLU 75 2HB GLU 75 12.660 11.266 -4.370 570 1HG GLU 75 1HG GLU 75 14.388 9.796 -6.379 571 2HG GLU 75 2HG GLU 75 13.417 11.174 -6.874 572 H PHE 76 H PHE 76 10.805 8.602 -3.651 573 HA PHE 76 HA PHE 76 10.235 9.751 -1.099 574 1HB PHE 76 1HB PHE 76 8.446 9.345 -2.535 575 2HB PHE 76 2HB PHE 76 8.977 7.741 -2.966 576 HD1 PHE 76 HD1 PHE 76 8.511 5.794 -1.586 577 HD2 PHE 76 HD2 PHE 76 7.252 9.744 -0.414 578 HE1 PHE 76 HE1 PHE 76 6.927 4.798 0.039 579 HE2 PHE 76 HE2 PHE 76 5.724 8.742 1.279 580 HZ PHE 76 HZ PHE 76 5.518 6.258 1.461 581 H ALA 77 H ALA 77 11.309 6.461 -2.070 582 HA ALA 77 HA ALA 77 11.328 5.247 0.451 583 1HB ALA 77 1HB ALA 77 11.542 4.082 -1.760 584 2HB ALA 77 2HB ALA 77 13.201 4.718 -1.897 585 3HB ALA 77 3HB ALA 77 12.784 3.594 -0.616 586 H LYS 78 H LYS 78 13.969 7.051 -1.274 587 HA LYS 78 HA LYS 78 15.800 6.875 0.876 588 1HB LYS 78 1HB LYS 78 15.516 8.701 -1.520 589 2HB LYS 78 2HB LYS 78 16.671 9.126 -0.237 590 1HG LYS 78 1HG LYS 78 17.598 6.773 -0.364 591 2HG LYS 78 2HG LYS 78 16.607 6.510 -1.799 592 1HD LYS 78 1HD LYS 78 18.812 8.626 -1.509 593 2HD LYS 78 2HD LYS 78 18.962 7.037 -2.266 594 1HE LYS 78 1HE LYS 78 18.473 8.077 -4.192 595 2HE LYS 78 2HE LYS 78 16.823 7.879 -3.619 596 1HZ LYS 78 1HZ LYS 78 17.069 10.200 -2.673 597 2HZ LYS 78 2HZ LYS 78 18.457 10.346 -3.555 598 3HZ LYS 78 3HZ LYS 78 17.026 10.111 -4.283 599 H LYS 79 H LYS 79 12.951 8.937 0.655 600 HA LYS 79 HA LYS 79 13.817 10.750 2.718 601 1HB LYS 79 1HB LYS 79 10.948 9.991 2.194 602 2HB LYS 79 2HB LYS 79 11.576 11.417 3.032 603 1HG LYS 79 1HG LYS 79 12.854 11.979 0.851 604 2HG LYS 79 2HG LYS 79 11.867 10.721 0.103 605 1HD LYS 79 1HD LYS 79 9.833 11.882 0.865 606 2HD LYS 79 2HD LYS 79 10.849 13.200 1.494 607 1HE LYS 79 1HE LYS 79 10.978 12.222 -1.403 608 2HE LYS 79 2HE LYS 79 9.843 13.487 -0.887 609 1HZ LYS 79 1HZ LYS 79 12.772 13.714 -0.508 610 2HZ LYS 79 2HZ LYS 79 11.961 14.337 -1.782 611 3HZ LYS 79 3HZ LYS 79 11.606 14.860 -0.258 612 H HIS 80 H HIS 80 12.612 7.433 2.823 613 HA HIS 80 HA HIS 80 12.252 7.560 5.752 614 1HB HIS 80 1HB HIS 80 11.496 5.574 3.590 615 2HB HIS 80 2HB HIS 80 11.112 5.383 5.298 616 HD1 HIS 80 HD1 HIS 80 8.984 5.887 2.697 617 HD2 HIS 80 HD2 HIS 80 10.167 8.509 5.775 618 HE1 HIS 80 HE1 HIS 80 7.077 7.537 3.032 619 H GLY 81 H GLY 81 14.672 7.026 3.603 620 1HA GLY 81 1HA GLY 81 16.251 5.492 5.569 621 2HA GLY 81 2HA GLY 81 16.825 6.316 4.122 622 H ALA 82 H ALA 82 14.507 4.712 2.700 623 HA ALA 82 HA ALA 82 15.956 2.119 2.410 624 1HB ALA 82 1HB ALA 82 14.112 1.778 0.616 625 2HB ALA 82 2HB ALA 82 13.669 1.633 2.320 626 3HB ALA 82 3HB ALA 82 13.281 3.122 1.433 627 H ASP 83 H ASP 83 17.668 2.110 0.917 628 HA ASP 83 HA ASP 83 18.006 4.389 -0.883 629 1HB ASP 83 1HB ASP 83 20.084 3.079 -1.532 630 2HB ASP 83 2HB ASP 83 20.021 3.580 0.106 631 H GLU 84 H GLU 84 19.059 3.253 -3.064 632 HA GLU 84 HA GLU 84 16.829 2.664 -4.642 633 1HB GLU 84 1HB GLU 84 19.694 2.112 -5.333 634 2HB GLU 84 2HB GLU 84 18.410 2.582 -6.441 635 1HG GLU 84 1HG GLU 84 19.778 4.254 -4.297 636 2HG GLU 84 2HG GLU 84 20.048 4.363 -6.037 637 H THR 85 H THR 85 19.279 0.640 -3.068 638 HA THR 85 HA THR 85 18.703 -1.784 -4.644 639 HB THR 85 HB THR 85 20.374 -1.432 -2.109 640 HG1 THR 85 HG1 THR 85 21.102 -0.164 -3.865 641 1HG2 THR 85 1HG2 THR 85 20.328 -3.636 -4.213 642 2HG2 THR 85 2HG2 THR 85 21.533 -3.483 -2.909 643 3HG2 THR 85 3HG2 THR 85 19.843 -3.780 -2.513 644 H MET 86 H MET 86 17.928 -0.357 -1.465 645 HA MET 86 HA MET 86 16.422 -2.550 -0.400 646 1HB MET 86 1HB MET 86 16.627 0.452 0.034 647 2HB MET 86 2HB MET 86 15.432 -0.476 0.888 648 1HG MET 86 1HG MET 86 17.236 -1.943 1.795 649 2HG MET 86 2HG MET 86 18.434 -0.958 0.957 650 1HE MET 86 1HE MET 86 18.352 -1.719 4.073 651 2HE MET 86 2HE MET 86 19.660 -0.787 3.298 652 3HE MET 86 3HE MET 86 18.896 -0.177 4.790 653 H ALA 87 H ALA 87 15.392 0.401 -2.240 654 HA ALA 87 HA ALA 87 12.675 -0.345 -2.442 655 1HB ALA 87 1HB ALA 87 14.491 1.097 -4.415 656 2HB ALA 87 2HB ALA 87 13.530 1.856 -3.116 657 3HB ALA 87 3HB ALA 87 12.708 1.075 -4.485 658 H GLN 88 H GLN 88 15.390 -1.078 -4.678 659 HA GLN 88 HA GLN 88 13.983 -2.539 -6.578 660 1HB GLN 88 1HB GLN 88 16.492 -1.806 -6.411 661 2HB GLN 88 2HB GLN 88 16.772 -3.346 -5.626 662 1HG GLN 88 1HG GLN 88 15.808 -2.745 -8.427 663 2HG GLN 88 2HG GLN 88 17.335 -3.482 -7.906 664 1HE2 GLN 88 1HE2 GLN 88 14.038 -4.097 -8.822 665 2HE2 GLN 88 2HE2 GLN 88 13.925 -5.722 -8.200 666 H GLN 89 H GLN 89 15.589 -3.807 -3.726 667 HA GLN 89 HA GLN 89 14.843 -6.528 -3.856 668 1HB GLN 89 1HB GLN 89 15.401 -4.605 -1.629 669 2HB GLN 89 2HB GLN 89 14.548 -6.054 -1.160 670 1HG GLN 89 1HG GLN 89 17.106 -6.096 -2.805 671 2HG GLN 89 2HG GLN 89 17.087 -6.081 -1.051 672 1HE2 GLN 89 1HE2 GLN 89 18.383 -8.221 -2.009 673 2HE2 GLN 89 2HE2 GLN 89 17.384 -9.649 -2.082 674 H LEU 90 H LEU 90 12.791 -3.812 -2.610 675 HA LEU 90 HA LEU 90 10.619 -5.615 -1.955 676 1HB LEU 90 1HB LEU 90 10.687 -2.599 -2.397 677 2HB LEU 90 2HB LEU 90 9.325 -3.478 -1.738 678 HG LEU 90 HG LEU 90 12.086 -3.236 -0.465 679 1HD1 LEU 90 1HD1 LEU 90 9.434 -1.934 0.266 680 2HD1 LEU 90 2HD1 LEU 90 10.945 -1.806 1.200 681 3HD1 LEU 90 3HD1 LEU 90 10.852 -1.143 -0.434 682 1HD2 LEU 90 1HD2 LEU 90 10.805 -5.386 0.127 683 2HD2 LEU 90 2HD2 LEU 90 11.383 -4.390 1.442 684 3HD2 LEU 90 3HD2 LEU 90 9.677 -4.318 1.001 685 H ILE 91 H ILE 91 11.373 -3.606 -4.811 686 HA ILE 91 HA ILE 91 8.857 -4.058 -6.102 687 HB ILE 91 HB ILE 91 11.637 -3.367 -7.104 688 1HG1 ILE 91 1HG1 ILE 91 9.337 -1.419 -7.124 689 2HG1 ILE 91 2HG1 ILE 91 9.997 -1.827 -5.550 690 1HG2 ILE 91 1HG2 ILE 91 9.054 -3.238 -8.681 691 2HG2 ILE 91 2HG2 ILE 91 10.596 -2.511 -9.190 692 3HG2 ILE 91 3HG2 ILE 91 10.457 -4.272 -9.036 693 1HD1 ILE 91 1HD1 ILE 91 12.287 -1.261 -6.458 694 2HD1 ILE 91 2HD1 ILE 91 11.463 -0.553 -7.863 695 3HD1 ILE 91 3HD1 ILE 91 11.166 0.062 -6.207 696 H ASP 92 H ASP 92 11.938 -5.804 -6.137 697 HA ASP 92 HA ASP 92 11.273 -7.712 -8.145 698 1HB ASP 92 1HB ASP 92 13.508 -7.191 -6.658 699 2HB ASP 92 2HB ASP 92 12.961 -8.586 -5.800 700 H ILE 93 H ILE 93 10.963 -7.774 -4.623 701 HA ILE 93 HA ILE 93 9.548 -10.179 -4.344 702 HB ILE 93 HB ILE 93 9.721 -7.592 -2.746 703 1HG1 ILE 93 1HG1 ILE 93 10.783 -10.375 -2.348 704 2HG1 ILE 93 2HG1 ILE 93 11.727 -9.087 -2.990 705 1HG2 ILE 93 1HG2 ILE 93 8.172 -10.083 -2.018 706 2HG2 ILE 93 2HG2 ILE 93 8.625 -8.778 -0.885 707 3HG2 ILE 93 3HG2 ILE 93 7.535 -8.444 -2.220 708 1HD1 ILE 93 1HD1 ILE 93 11.521 -7.787 -0.893 709 2HD1 ILE 93 2HD1 ILE 93 10.607 -9.127 -0.167 710 3HD1 ILE 93 3HD1 ILE 93 12.284 -9.373 -0.648 711 H VAL 94 H VAL 94 8.086 -6.861 -4.909 712 HA VAL 94 HA VAL 94 5.385 -7.689 -4.687 713 HB VAL 94 HB VAL 94 6.741 -5.541 -6.335 714 1HG1 VAL 94 1HG1 VAL 94 3.705 -5.953 -6.143 715 2HG1 VAL 94 2HG1 VAL 94 4.494 -4.451 -6.684 716 3HG1 VAL 94 3HG1 VAL 94 4.697 -5.900 -7.617 717 1HG2 VAL 94 1HG2 VAL 94 6.662 -5.279 -3.858 718 2HG2 VAL 94 2HG2 VAL 94 5.761 -4.034 -4.724 719 3HG2 VAL 94 3HG2 VAL 94 4.888 -5.374 -3.919 720 H HIS 95 H HIS 95 7.581 -7.722 -7.505 721 HA HIS 95 HA HIS 95 5.580 -8.782 -9.296 722 1HB HIS 95 1HB HIS 95 8.622 -8.548 -9.404 723 2HB HIS 95 2HB HIS 95 7.588 -8.975 -10.758 724 HD1 HIS 95 HD1 HIS 95 9.385 -6.255 -10.604 725 HD2 HIS 95 HD2 HIS 95 5.310 -6.593 -9.583 726 HE1 HIS 95 HE1 HIS 95 8.335 -3.924 -10.823 727 H GLY 96 H GLY 96 8.215 -10.115 -7.402 728 1HA GLY 96 1HA GLY 96 8.575 -12.172 -6.490 729 2HA GLY 96 2HA GLY 96 8.092 -12.866 -8.063 730 H CYS 97 H CYS 97 5.878 -10.875 -6.325 731 HA CYS 97 HA CYS 97 4.444 -13.142 -5.095 732 1HB CYS 97 1HB CYS 97 4.645 -10.193 -4.505 733 2HB CYS 97 2HB CYS 97 3.274 -11.136 -3.928 734 H GLU 98 H GLU 98 3.960 -10.537 -7.532 735 HA GLU 98 HA GLU 98 1.266 -11.196 -8.087 736 1HB GLU 98 1HB GLU 98 3.501 -10.400 -9.924 737 2HB GLU 98 2HB GLU 98 1.904 -10.764 -10.492 738 1HG GLU 98 1HG GLU 98 1.056 -9.014 -8.812 739 2HG GLU 98 2HG GLU 98 2.718 -8.575 -8.576 740 H LYS 99 H LYS 99 4.392 -12.705 -9.005 741 HA LYS 99 HA LYS 99 3.353 -14.825 -10.594 742 1HB LYS 99 1HB LYS 99 5.955 -14.342 -9.137 743 2HB LYS 99 2HB LYS 99 5.652 -15.903 -9.916 744 1HG LYS 99 1HG LYS 99 5.656 -15.053 -12.048 745 2HG LYS 99 2HG LYS 99 5.038 -13.480 -11.543 746 1HD LYS 99 1HD LYS 99 7.260 -13.193 -12.339 747 2HD LYS 99 2HD LYS 99 7.191 -12.867 -10.602 748 1HE LYS 99 1HE LYS 99 8.173 -15.063 -10.112 749 2HE LYS 99 2HE LYS 99 8.140 -15.491 -11.834 750 1HZ LYS 99 1HZ LYS 99 9.642 -13.212 -10.710 751 2HZ LYS 99 2HZ LYS 99 10.335 -14.652 -11.070 752 3HZ LYS 99 3HZ LYS 99 9.679 -13.696 -12.259 753 H SER 100 H SER 100 4.569 -15.029 -7.190 754 HA SER 100 HA SER 100 3.737 -17.767 -7.065 755 1HB SER 100 1HB SER 100 4.269 -17.507 -4.602 756 2HB SER 100 2HB SER 100 5.576 -17.257 -5.763 757 HG SER 100 HG SER 100 5.503 -15.076 -5.438 758 H THR 101 H THR 101 1.881 -14.830 -6.474 759 HA THR 101 HA THR 101 -0.206 -16.215 -5.019 760 HB THR 101 HB THR 101 -0.227 -13.583 -6.549 761 HG1 THR 101 HG1 THR 101 1.109 -13.319 -4.958 762 1HG2 THR 101 1HG2 THR 101 -2.150 -14.657 -4.436 763 2HG2 THR 101 2HG2 THR 101 -2.144 -13.012 -5.129 764 3HG2 THR 101 3HG2 THR 101 -2.512 -14.397 -6.155 765 HA PRO 102 HA PRO 102 -1.649 -18.147 -8.861 766 1HB PRO 102 1HB PRO 102 -4.059 -19.128 -7.992 767 2HB PRO 102 2HB PRO 102 -2.491 -19.901 -7.633 768 1HG PRO 102 1HG PRO 102 -4.116 -18.096 -5.845 769 2HG PRO 102 2HG PRO 102 -3.259 -19.604 -5.417 770 1HD PRO 102 1HD PRO 102 -2.239 -17.091 -4.969 771 2HD PRO 102 2HD PRO 102 -1.189 -18.493 -5.321 772 H ALA 103 H ALA 103 -2.811 -17.280 -10.515 773 HA ALA 103 HA ALA 103 -3.886 -14.648 -10.294 774 1HB ALA 103 1HB ALA 103 -3.914 -16.701 -12.534 775 2HB ALA 103 2HB ALA 103 -2.796 -15.340 -12.290 776 3HB ALA 103 3HB ALA 103 -4.492 -15.023 -12.698 777 H ASN 104 H ASN 104 -5.508 -14.725 -8.766 778 HA ASN 104 HA ASN 104 -7.845 -16.356 -8.928 779 1HB ASN 104 1HB ASN 104 -6.901 -14.976 -6.945 780 2HB ASN 104 2HB ASN 104 -7.752 -13.617 -7.603 781 1HD2 ASN 104 1HD2 ASN 104 -7.974 -15.862 -5.255 782 2HD2 ASN 104 2HD2 ASN 104 -9.723 -15.973 -5.185 783 H ASP 105 H ASP 105 -9.751 -16.025 -9.999 784 HA ASP 105 HA ASP 105 -10.382 -14.248 -12.005 785 1HB ASP 105 1HB ASP 105 -11.743 -16.156 -11.562 786 2HB ASP 105 2HB ASP 105 -12.006 -15.674 -9.881 787 H ASP 106 H ASP 106 -10.448 -13.694 -8.463 788 HA ASP 106 HA ASP 106 -11.872 -11.098 -8.900 789 1HB ASP 106 1HB ASP 106 -12.430 -12.875 -7.001 790 2HB ASP 106 2HB ASP 106 -11.065 -12.181 -6.234 791 H LYS 107 H LYS 107 -10.370 -9.502 -9.549 792 HA LYS 107 HA LYS 107 -7.631 -9.657 -9.126 793 1HB LYS 107 1HB LYS 107 -9.329 -8.062 -10.647 794 2HB LYS 107 2HB LYS 107 -8.856 -6.923 -9.400 795 1HG LYS 107 1HG LYS 107 -7.164 -6.674 -11.029 796 2HG LYS 107 2HG LYS 107 -6.414 -7.728 -9.822 797 1HD LYS 107 1HD LYS 107 -6.060 -9.185 -11.540 798 2HD LYS 107 2HD LYS 107 -7.729 -9.586 -11.408 799 1HE LYS 107 1HE LYS 107 -7.586 -9.092 -13.664 800 2HE LYS 107 2HE LYS 107 -8.266 -7.624 -12.930 801 1HZ LYS 107 1HZ LYS 107 -5.407 -7.958 -13.683 802 2HZ LYS 107 2HZ LYS 107 -6.547 -7.149 -14.558 803 3HZ LYS 107 3HZ LYS 107 -6.076 -6.595 -13.098 804 H CYS 108 H CYS 108 -10.207 -8.226 -7.151 805 HA CYS 108 HA CYS 108 -8.488 -6.854 -5.308 806 1HB CYS 108 1HB CYS 108 -11.172 -8.187 -4.787 807 2HB CYS 108 2HB CYS 108 -10.294 -7.109 -3.742 808 H ILE 109 H ILE 109 -9.796 -10.259 -5.281 809 HA ILE 109 HA ILE 109 -8.578 -10.878 -2.748 810 HB ILE 109 HB ILE 109 -9.581 -12.740 -4.962 811 1HG1 ILE 109 1HG1 ILE 109 -10.916 -11.699 -2.424 812 2HG1 ILE 109 2HG1 ILE 109 -11.292 -11.155 -4.047 813 1HG2 ILE 109 1HG2 ILE 109 -8.899 -13.292 -2.042 814 2HG2 ILE 109 2HG2 ILE 109 -9.684 -14.440 -3.153 815 3HG2 ILE 109 3HG2 ILE 109 -8.036 -13.892 -3.478 816 1HD1 ILE 109 1HD1 ILE 109 -11.918 -13.605 -4.569 817 2HD1 ILE 109 2HD1 ILE 109 -11.971 -13.795 -2.799 818 3HD1 ILE 109 3HD1 ILE 109 -13.000 -12.585 -3.599 819 H TRP 110 H TRP 110 -7.595 -11.418 -6.126 820 HA TRP 110 HA TRP 110 -5.056 -12.555 -5.696 821 1HB TRP 110 1HB TRP 110 -6.048 -12.313 -7.910 822 2HB TRP 110 2HB TRP 110 -5.973 -10.576 -7.816 823 HD1 TRP 110 HD1 TRP 110 -3.766 -13.633 -8.022 824 HE1 TRP 110 HE1 TRP 110 -1.500 -13.055 -9.174 825 HE3 TRP 110 HE3 TRP 110 -4.341 -8.580 -8.342 826 HZ2 TRP 110 HZ2 TRP 110 -0.226 -10.655 -10.255 827 HZ3 TRP 110 HZ3 TRP 110 -2.611 -7.182 -9.472 828 HH2 TRP 110 HH2 TRP 110 -0.679 -8.218 -10.517 829 H THR 111 H THR 111 -5.817 -9.022 -5.946 830 HA THR 111 HA THR 111 -3.288 -8.040 -5.370 831 HB THR 111 HB THR 111 -6.062 -6.900 -4.855 832 HG1 THR 111 HG1 THR 111 -5.771 -7.254 -6.963 833 1HG2 THR 111 1HG2 THR 111 -3.384 -5.485 -4.828 834 2HG2 THR 111 2HG2 THR 111 -4.929 -4.664 -5.149 835 3HG2 THR 111 3HG2 THR 111 -4.652 -5.465 -3.589 836 H LEU 112 H LEU 112 -5.841 -9.020 -2.967 837 HA LEU 112 HA LEU 112 -4.377 -8.175 -0.650 838 1HB LEU 112 1HB LEU 112 -6.773 -8.573 -0.650 839 2HB LEU 112 2HB LEU 112 -6.573 -10.232 -1.138 840 HG LEU 112 HG LEU 112 -7.180 -9.789 1.257 841 1HD1 LEU 112 1HD1 LEU 112 -6.204 -11.908 0.384 842 2HD1 LEU 112 2HD1 LEU 112 -4.631 -11.389 1.007 843 3HD1 LEU 112 3HD1 LEU 112 -5.976 -11.619 2.125 844 1HD2 LEU 112 1HD2 LEU 112 -5.653 -7.853 1.617 845 2HD2 LEU 112 2HD2 LEU 112 -5.568 -9.087 2.879 846 3HD2 LEU 112 3HD2 LEU 112 -4.283 -8.973 1.663 847 H GLY 113 H GLY 113 -4.564 -11.213 -2.527 848 1HA GLY 113 1HA GLY 113 -3.085 -12.896 -2.834 849 2HA GLY 113 2HA GLY 113 -2.806 -12.854 -1.086 850 H VAL 114 H VAL 114 -1.990 -10.702 -3.879 851 HA VAL 114 HA VAL 114 0.786 -11.066 -3.855 852 HB VAL 114 HB VAL 114 -0.829 -8.636 -4.720 853 1HG1 VAL 114 1HG1 VAL 114 2.012 -9.478 -5.465 854 2HG1 VAL 114 2HG1 VAL 114 1.104 -8.146 -6.198 855 3HG1 VAL 114 3HG1 VAL 114 1.574 -8.053 -4.502 856 1HG2 VAL 114 1HG2 VAL 114 0.154 -11.102 -6.223 857 2HG2 VAL 114 2HG2 VAL 114 -1.527 -10.650 -5.952 858 3HG2 VAL 114 3HG2 VAL 114 -0.533 -9.655 -6.999 859 H ALA 115 H ALA 115 -1.171 -8.500 -2.187 860 HA ALA 115 HA ALA 115 1.054 -7.243 -0.998 861 1HB ALA 115 1HB ALA 115 -1.329 -6.334 -1.207 862 2HB ALA 115 2HB ALA 115 -0.599 -6.097 0.388 863 3HB ALA 115 3HB ALA 115 -1.785 -7.389 0.164 864 H THR 116 H THR 116 -0.940 -9.878 0.231 865 HA THR 116 HA THR 116 0.186 -10.126 2.847 866 HB THR 116 HB THR 116 -1.153 -12.059 0.906 867 HG1 THR 116 HG1 THR 116 -2.495 -10.512 1.552 868 1HG2 THR 116 1HG2 THR 116 -0.586 -12.563 3.833 869 2HG2 THR 116 2HG2 THR 116 -1.660 -13.516 2.798 870 3HG2 THR 116 3HG2 THR 116 0.073 -13.455 2.454 871 H CYS 117 H CYS 117 0.935 -11.736 -0.329 872 HA CYS 117 HA CYS 117 3.138 -13.273 0.531 873 1HB CYS 117 1HB CYS 117 2.028 -13.678 -1.571 874 2HB CYS 117 2HB CYS 117 2.391 -12.068 -2.152 875 H PHE 118 H PHE 118 3.067 -9.828 -0.740 876 HA PHE 118 HA PHE 118 5.807 -9.438 -0.763 877 1HB PHE 118 1HB PHE 118 4.213 -7.894 -1.714 878 2HB PHE 118 2HB PHE 118 3.467 -7.581 -0.166 879 HD1 PHE 118 HD1 PHE 118 7.047 -7.699 0.009 880 HD2 PHE 118 HD2 PHE 118 3.763 -5.113 -0.869 881 HE1 PHE 118 HE1 PHE 118 8.580 -5.822 -0.057 882 HE2 PHE 118 HE2 PHE 118 5.274 -3.158 -0.708 883 HZ PHE 118 HZ PHE 118 7.673 -3.476 -0.329 884 H LYS 119 H LYS 119 3.592 -8.647 1.842 885 HA LYS 119 HA LYS 119 5.069 -7.831 3.938 886 1HB LYS 119 1HB LYS 119 2.471 -8.467 3.644 887 2HB LYS 119 2HB LYS 119 2.973 -9.961 4.425 888 1HG LYS 119 1HG LYS 119 2.378 -8.719 6.241 889 2HG LYS 119 2HG LYS 119 4.125 -8.395 6.136 890 1HD LYS 119 1HD LYS 119 3.629 -6.242 4.983 891 2HD LYS 119 2HD LYS 119 1.889 -6.614 5.073 892 1HE LYS 119 1HE LYS 119 2.041 -6.776 7.529 893 2HE LYS 119 2HE LYS 119 3.769 -6.407 7.473 894 1HZ LYS 119 1HZ LYS 119 1.637 -4.589 6.538 895 2HZ LYS 119 2HZ LYS 119 2.325 -4.535 8.019 896 3HZ LYS 119 3HZ LYS 119 3.245 -4.221 6.670 897 H ALA 120 H ALA 120 4.404 -11.345 3.398 898 HA ALA 120 HA ALA 120 6.110 -12.237 5.430 899 1HB ALA 120 1HB ALA 120 5.997 -14.435 4.292 900 2HB ALA 120 2HB ALA 120 4.410 -13.653 4.410 901 3HB ALA 120 3HB ALA 120 5.285 -13.653 2.863 902 H GLU 121 H GLU 121 7.003 -11.442 2.014 903 HA GLU 121 HA GLU 121 9.643 -12.619 2.256 904 1HB GLU 121 1HB GLU 121 8.590 -10.511 0.396 905 2HB GLU 121 2HB GLU 121 10.214 -11.187 0.294 906 1HG GLU 121 1HG GLU 121 7.972 -13.154 0.182 907 2HG GLU 121 2HG GLU 121 8.146 -12.034 -1.162 908 H ILE 122 H ILE 122 8.337 -9.413 3.197 909 HA ILE 122 HA ILE 122 10.918 -8.291 3.608 910 HB ILE 122 HB ILE 122 8.303 -7.644 5.004 911 1HG1 ILE 122 1HG1 ILE 122 9.582 -6.464 2.538 912 2HG1 ILE 122 2HG1 ILE 122 8.137 -7.447 2.570 913 1HG2 ILE 122 1HG2 ILE 122 10.311 -6.820 6.251 914 2HG2 ILE 122 2HG2 ILE 122 10.822 -5.972 4.783 915 3HG2 ILE 122 3HG2 ILE 122 9.321 -5.520 5.634 916 1HD1 ILE 122 1HD1 ILE 122 8.315 -4.702 3.862 917 2HD1 ILE 122 2HD1 ILE 122 7.532 -5.105 2.342 918 3HD1 ILE 122 3HD1 ILE 122 6.898 -5.783 3.833 919 H HIS 123 H HIS 123 9.028 -10.621 5.484 920 HA HIS 123 HA HIS 123 10.760 -10.503 7.815 921 1HB HIS 123 1HB HIS 123 8.295 -11.387 7.536 922 2HB HIS 123 2HB HIS 123 9.081 -12.886 7.044 923 HD1 HIS 123 HD1 HIS 123 9.487 -14.456 9.054 924 HD2 HIS 123 HD2 HIS 123 9.437 -10.361 10.006 925 HE1 HIS 123 HE1 HIS 123 9.657 -14.325 11.592 926 H LYS 124 H LYS 124 11.035 -11.857 4.637 927 HA LYS 124 HA LYS 124 13.156 -13.791 5.386 928 1HB LYS 124 1HB LYS 124 11.794 -13.218 2.714 929 2HB LYS 124 2HB LYS 124 13.029 -14.434 2.972 930 1HG LYS 124 1HG LYS 124 11.627 -15.791 4.329 931 2HG LYS 124 2HG LYS 124 10.454 -14.500 4.565 932 1HD LYS 124 1HD LYS 124 9.499 -16.118 3.070 933 2HD LYS 124 2HD LYS 124 9.754 -14.624 2.222 934 1HE LYS 124 1HE LYS 124 10.483 -16.023 0.622 935 2HE LYS 124 2HE LYS 124 12.024 -15.738 1.427 936 1HZ LYS 124 1HZ LYS 124 10.231 -18.025 1.995 937 2HZ LYS 124 2HZ LYS 124 11.482 -18.072 0.931 938 3HZ LYS 124 3HZ LYS 124 11.779 -17.834 2.534 939 H LEU 125 H LEU 125 13.110 -10.473 4.921 940 HA LEU 125 HA LEU 125 15.539 -10.295 3.268 941 1HB LEU 125 1HB LEU 125 13.812 -8.274 4.753 942 2HB LEU 125 2HB LEU 125 15.326 -7.816 4.069 943 HG LEU 125 HG LEU 125 13.124 -9.027 2.363 944 1HD1 LEU 125 1HD1 LEU 125 13.886 -6.113 2.811 945 2HD1 LEU 125 2HD1 LEU 125 12.726 -6.712 1.597 946 3HD1 LEU 125 3HD1 LEU 125 12.407 -6.866 3.334 947 1HD2 LEU 125 1HD2 LEU 125 15.887 -7.853 1.890 948 2HD2 LEU 125 2HD2 LEU 125 15.195 -9.343 1.267 949 3HD2 LEU 125 3HD2 LEU 125 14.643 -7.811 0.607 950 H ASN 126 H ASN 126 17.354 -9.070 4.091 951 HA ASN 126 HA ASN 126 18.120 -9.767 6.862 952 1HB ASN 126 1HB ASN 126 19.518 -10.052 4.713 953 2HB ASN 126 2HB ASN 126 19.976 -8.377 4.941 954 1HD2 ASN 126 1HD2 ASN 126 20.714 -8.033 7.214 955 2HD2 ASN 126 2HD2 ASN 126 21.741 -9.246 8.022 956 H TRP 127 H TRP 127 16.284 -7.303 5.621 957 HA TRP 127 HA TRP 127 17.222 -5.363 7.597 958 1HB TRP 127 1HB TRP 127 17.209 -3.512 5.997 959 2HB TRP 127 2HB TRP 127 18.429 -4.677 5.565 960 HD1 TRP 127 HD1 TRP 127 17.566 -6.423 3.498 961 HE1 TRP 127 HE1 TRP 127 16.205 -5.932 1.423 962 HE3 TRP 127 HE3 TRP 127 15.553 -1.932 4.926 963 HZ2 TRP 127 HZ2 TRP 127 14.272 -3.943 0.557 964 HZ3 TRP 127 HZ3 TRP 127 13.956 -0.764 3.441 965 HH2 TRP 127 HH2 TRP 127 13.283 -1.786 1.268 966 H ALA 128 H ALA 128 15.658 -3.500 7.598 967 HA ALA 128 HA ALA 128 12.845 -4.459 7.246 968 1HB ALA 128 1HB ALA 128 14.007 -2.829 9.529 969 2HB ALA 128 2HB ALA 128 13.435 -4.517 9.586 970 3HB ALA 128 3HB ALA 128 12.289 -3.197 9.285 971 HA PRO 129 HA PRO 129 12.646 -0.332 5.197 972 1HB PRO 129 1HB PRO 129 10.000 -1.067 4.248 973 2HB PRO 129 2HB PRO 129 11.478 -0.840 3.291 974 1HG PRO 129 1HG PRO 129 10.168 -3.307 3.745 975 2HG PRO 129 2HG PRO 129 11.842 -3.099 3.179 976 1HD PRO 129 1HD PRO 129 10.883 -3.727 5.935 977 2HD PRO 129 2HD PRO 129 12.384 -4.229 5.085 978 H SER 130 H SER 130 11.275 1.498 5.862 979 HA SER 130 HA SER 130 9.585 1.264 8.156 980 1HB SER 130 1HB SER 130 9.339 3.289 5.936 981 2HB SER 130 2HB SER 130 8.813 3.433 7.606 982 HG SER 130 HG SER 130 10.706 4.542 7.389 983 H MET 131 H MET 131 7.169 1.388 8.133 984 HA MET 131 HA MET 131 5.915 -0.362 6.239 985 1HB MET 131 1HB MET 131 4.746 1.752 8.100 986 2HB MET 131 2HB MET 131 3.826 0.619 7.110 987 1HG MET 131 1HG MET 131 3.909 -0.724 8.897 988 2HG MET 131 2HG MET 131 5.494 -1.145 8.304 989 1HE MET 131 1HE MET 131 3.231 0.583 10.650 990 2HE MET 131 2HE MET 131 4.208 1.294 11.958 991 3HE MET 131 3HE MET 131 4.106 2.091 10.376 992 H ASP 132 H ASP 132 5.837 3.226 6.474 993 HA ASP 132 HA ASP 132 4.314 3.656 4.258 994 1HB ASP 132 1HB ASP 132 6.504 5.311 5.505 995 2HB ASP 132 2HB ASP 132 5.622 5.883 4.079 996 H VAL 133 H VAL 133 7.716 2.681 4.123 997 HA VAL 133 HA VAL 133 7.920 3.168 1.246 998 HB VAL 133 HB VAL 133 9.559 1.395 3.110 999 1HG1 VAL 133 1HG1 VAL 133 9.731 0.691 0.722 1000 2HG1 VAL 133 2HG1 VAL 133 10.168 2.336 0.269 1001 3HG1 VAL 133 3HG1 VAL 133 11.239 1.380 1.319 1002 1HG2 VAL 133 1HG2 VAL 133 10.056 4.204 2.023 1003 2HG2 VAL 133 2HG2 VAL 133 9.789 3.757 3.725 1004 3HG2 VAL 133 3HG2 VAL 133 11.248 3.233 2.890 1005 H ALA 134 H ALA 134 7.540 0.183 3.285 1006 HA ALA 134 HA ALA 134 6.943 -1.494 1.071 1007 1HB ALA 134 1HB ALA 134 7.800 -2.265 3.261 1008 2HB ALA 134 2HB ALA 134 6.227 -1.823 3.994 1009 3HB ALA 134 3HB ALA 134 6.321 -3.122 2.780 1010 H VAL 135 H VAL 135 4.779 0.764 2.560 1011 HA VAL 135 HA VAL 135 2.536 -0.554 1.096 1012 HB VAL 135 HB VAL 135 2.176 1.873 2.880 1013 1HG1 VAL 135 1HG1 VAL 135 0.358 1.137 1.384 1014 2HG1 VAL 135 2HG1 VAL 135 0.383 -0.468 2.133 1015 3HG1 VAL 135 3HG1 VAL 135 -0.098 0.956 3.081 1016 1HG2 VAL 135 1HG2 VAL 135 2.695 -0.898 3.921 1017 2HG2 VAL 135 2HG2 VAL 135 2.953 0.675 4.680 1018 3HG2 VAL 135 3HG2 VAL 135 1.349 0.008 4.639 1019 H GLY 136 H GLY 136 4.595 2.356 1.122 1020 1HA GLY 136 1HA GLY 136 4.879 3.980 -0.395 1021 2HA GLY 136 2HA GLY 136 3.176 3.902 -0.742 1022 H GLU 137 H GLU 137 5.745 1.387 -1.135 1023 HA GLU 137 HA GLU 137 6.168 1.900 -3.907 1024 1HB GLU 137 1HB GLU 137 7.092 -0.357 -2.085 1025 2HB GLU 137 2HB GLU 137 7.667 -0.078 -3.722 1026 1HG GLU 137 1HG GLU 137 8.030 2.433 -2.508 1027 2HG GLU 137 2HG GLU 137 8.351 1.319 -1.216 1028 H ILE 138 H ILE 138 4.594 -0.874 -2.174 1029 HA ILE 138 HA ILE 138 4.119 -2.273 -4.597 1030 HB ILE 138 HB ILE 138 4.025 -3.447 -2.566 1031 1HG1 ILE 138 1HG1 ILE 138 1.207 -3.545 -3.695 1032 2HG1 ILE 138 2HG1 ILE 138 2.626 -4.226 -4.490 1033 1HG2 ILE 138 1HG2 ILE 138 3.101 -1.650 -1.073 1034 2HG2 ILE 138 2HG2 ILE 138 1.494 -1.932 -1.769 1035 3HG2 ILE 138 3HG2 ILE 138 2.328 -3.200 -0.825 1036 1HD1 ILE 138 1HD1 ILE 138 1.613 -5.128 -1.768 1037 2HD1 ILE 138 2HD1 ILE 138 1.244 -5.913 -3.307 1038 3HD1 ILE 138 3HD1 ILE 138 2.908 -5.883 -2.731 1039 H LEU 139 H LEU 139 2.387 0.437 -3.314 1040 HA LEU 139 HA LEU 139 -0.008 0.081 -4.999 1041 1HB LEU 139 1HB LEU 139 1.142 2.281 -3.278 1042 2HB LEU 139 2HB LEU 139 -0.286 2.517 -4.187 1043 HG LEU 139 HG LEU 139 0.161 0.495 -1.913 1044 1HD1 LEU 139 1HD1 LEU 139 -1.572 2.983 -2.123 1045 2HD1 LEU 139 2HD1 LEU 139 -1.709 1.784 -0.816 1046 3HD1 LEU 139 3HD1 LEU 139 -0.213 2.695 -1.023 1047 1HD2 LEU 139 1HD2 LEU 139 -2.359 0.872 -3.518 1048 2HD2 LEU 139 2HD2 LEU 139 -1.338 -0.585 -3.485 1049 3HD2 LEU 139 3HD2 LEU 139 -2.227 -0.085 -2.046 1050 H ALA 140 H ALA 140 2.948 1.999 -4.990 1051 HA ALA 140 HA ALA 140 2.569 3.297 -7.518 1052 1HB ALA 140 1HB ALA 140 4.395 3.956 -6.021 1053 2HB ALA 140 2HB ALA 140 5.191 2.381 -6.267 1054 3HB ALA 140 3HB ALA 140 5.017 3.483 -7.616 1055 H GLU 141 H GLU 141 2.950 -0.110 -6.879 1056 HA GLU 141 HA GLU 141 3.927 -0.627 -9.587 1057 1HB GLU 141 1HB GLU 141 3.997 -2.093 -6.942 1058 2HB GLU 141 2HB GLU 141 4.463 -2.836 -8.481 1059 1HG GLU 141 1HG GLU 141 6.223 -1.228 -8.835 1060 2HG GLU 141 2HG GLU 141 5.661 -0.207 -7.531 1061 H VAL 142 H VAL 142 1.706 -2.268 -7.279 1062 HA VAL 142 HA VAL 142 0.717 -4.167 -9.067 1063 HB VAL 142 HB VAL 142 -0.125 -3.113 -6.375 1064 1HG1 VAL 142 1HG1 VAL 142 -1.649 -5.224 -7.949 1065 2HG1 VAL 142 2HG1 VAL 142 -1.731 -5.007 -6.190 1066 3HG1 VAL 142 3HG1 VAL 142 -2.279 -3.700 -7.245 1067 1HG2 VAL 142 1HG2 VAL 142 1.851 -4.594 -6.652 1068 2HG2 VAL 142 2HG2 VAL 142 0.577 -5.385 -5.714 1069 3HG2 VAL 142 3HG2 VAL 142 0.833 -5.828 -7.417 No H/Q in entry = 1069 Start of MODEL 18 1 H SER 1 H SER 1 3.921 26.355 14.625 2 HA SER 1 HA SER 1 4.440 24.254 15.536 3 1HB SER 1 1HB SER 1 2.982 23.279 17.332 4 2HB SER 1 2HB SER 1 3.814 24.765 17.802 5 HG SER 1 HG SER 1 1.628 24.806 18.413 6 H GLN 2 H GLN 2 3.621 22.215 14.652 7 HA GLN 2 HA GLN 2 1.440 22.718 12.687 8 1HB GLN 2 1HB GLN 2 4.099 21.257 12.428 9 2HB GLN 2 2HB GLN 2 2.860 21.348 11.167 10 1HG GLN 2 1HG GLN 2 3.129 23.755 10.961 11 2HG GLN 2 2HG GLN 2 4.160 23.829 12.382 12 1HE2 GLN 2 1HE2 GLN 2 5.626 25.066 10.866 13 2HE2 GLN 2 2HE2 GLN 2 6.757 24.091 9.987 14 H GLU 3 H GLU 3 0.032 21.050 12.290 15 HA GLU 3 HA GLU 3 0.263 18.514 13.837 16 1HB GLU 3 1HB GLU 3 -2.177 20.176 13.448 17 2HB GLU 3 2HB GLU 3 -2.212 18.465 13.885 18 1HG GLU 3 1HG GLU 3 -0.672 19.122 15.855 19 2HG GLU 3 2HG GLU 3 -1.174 20.776 15.518 20 H VAL 4 H VAL 4 1.498 18.204 11.722 21 HA VAL 4 HA VAL 4 -0.347 16.829 9.886 22 HB VAL 4 HB VAL 4 2.023 18.347 8.784 23 1HG1 VAL 4 1HG1 VAL 4 -0.587 17.329 7.540 24 2HG1 VAL 4 2HG1 VAL 4 0.682 18.209 6.661 25 3HG1 VAL 4 3HG1 VAL 4 1.023 16.629 7.342 26 1HG2 VAL 4 1HG2 VAL 4 -0.771 19.540 8.970 27 2HG2 VAL 4 2HG2 VAL 4 0.718 20.171 9.716 28 3HG2 VAL 4 3HG2 VAL 4 0.563 20.161 7.969 29 H MET 5 H MET 5 1.077 15.908 12.119 30 HA MET 5 HA MET 5 3.065 14.051 10.912 31 1HB MET 5 1HB MET 5 3.445 15.611 13.509 32 2HB MET 5 2HB MET 5 4.532 14.393 12.831 33 1HG MET 5 1HG MET 5 4.620 15.939 10.743 34 2HG MET 5 2HG MET 5 3.967 17.180 11.806 35 1HE MET 5 1HE MET 5 5.209 17.883 14.156 36 2HE MET 5 2HE MET 5 5.508 16.189 14.624 37 3HE MET 5 3HE MET 5 6.848 17.344 14.578 38 H LYS 6 H LYS 6 0.306 13.657 11.479 39 HA LYS 6 HA LYS 6 -0.063 12.320 14.034 40 1HB LYS 6 1HB LYS 6 -1.714 12.152 11.458 41 2HB LYS 6 2HB LYS 6 -2.165 11.529 13.014 42 1HG LYS 6 1HG LYS 6 -3.288 13.421 13.191 43 2HG LYS 6 2HG LYS 6 -1.755 14.116 13.729 44 1HD LYS 6 1HD LYS 6 -2.574 15.642 12.093 45 2HD LYS 6 2HD LYS 6 -1.396 14.673 11.187 46 1HE LYS 6 1HE LYS 6 -3.530 13.127 10.714 47 2HE LYS 6 2HE LYS 6 -4.440 14.584 11.143 48 1HZ LYS 6 1HZ LYS 6 -2.422 14.327 8.997 49 2HZ LYS 6 2HZ LYS 6 -4.035 14.356 8.782 50 3HZ LYS 6 3HZ LYS 6 -3.270 15.713 9.325 51 H ASN 7 H ASN 7 -0.994 9.820 13.683 52 HA ASN 7 HA ASN 7 1.014 8.068 12.897 53 1HB ASN 7 1HB ASN 7 -0.628 6.425 12.954 54 2HB ASN 7 2HB ASN 7 -1.165 7.593 14.120 55 1HD2 ASN 7 1HD2 ASN 7 -2.238 9.348 11.778 56 2HD2 ASN 7 2HD2 ASN 7 -3.816 8.617 11.528 57 H LEU 8 H LEU 8 1.181 6.768 11.045 58 HA LEU 8 HA LEU 8 1.746 6.524 8.895 59 1HB LEU 8 1HB LEU 8 -0.289 5.449 9.011 60 2HB LEU 8 2HB LEU 8 -1.235 6.899 9.000 61 HG LEU 8 HG LEU 8 -1.192 5.329 6.957 62 1HD1 LEU 8 1HD1 LEU 8 -1.228 8.320 7.077 63 2HD1 LEU 8 2HD1 LEU 8 -1.385 7.561 5.529 64 3HD1 LEU 8 3HD1 LEU 8 -2.543 7.184 6.839 65 1HD2 LEU 8 1HD2 LEU 8 1.396 5.458 6.771 66 2HD2 LEU 8 2HD2 LEU 8 0.434 5.493 5.316 67 3HD2 LEU 8 3HD2 LEU 8 1.091 7.013 5.944 68 H SER 9 H SER 9 3.190 7.722 7.904 69 HA SER 9 HA SER 9 3.201 10.505 7.769 70 1HB SER 9 1HB SER 9 5.184 9.011 7.669 71 2HB SER 9 2HB SER 9 4.725 8.546 6.022 72 HG SER 9 HG SER 9 5.615 11.077 6.987 73 H LEU 10 H LEU 10 2.523 8.234 5.049 74 HA LEU 10 HA LEU 10 1.728 10.239 3.189 75 1HB LEU 10 1HB LEU 10 1.125 7.282 3.359 76 2HB LEU 10 2HB LEU 10 0.565 8.276 2.028 77 HG LEU 10 HG LEU 10 3.412 7.458 2.668 78 1HD1 LEU 10 1HD1 LEU 10 1.701 7.076 0.198 79 2HD1 LEU 10 2HD1 LEU 10 3.417 6.674 0.348 80 3HD1 LEU 10 3HD1 LEU 10 2.265 5.834 1.343 81 1HD2 LEU 10 1HD2 LEU 10 2.471 9.612 0.693 82 2HD2 LEU 10 2HD2 LEU 10 3.593 9.838 2.062 83 3HD2 LEU 10 3HD2 LEU 10 4.083 8.877 0.677 84 H ASN 11 H ASN 11 -0.540 10.435 2.200 85 HA ASN 11 HA ASN 11 -2.441 10.806 4.467 86 1HB ASN 11 1HB ASN 11 -1.848 12.706 3.022 87 2HB ASN 11 2HB ASN 11 -2.604 11.918 1.664 88 1HD2 ASN 11 1HD2 ASN 11 -3.633 14.269 2.178 89 2HD2 ASN 11 2HD2 ASN 11 -5.181 14.197 2.997 90 H PHE 12 H PHE 12 -2.575 8.250 4.310 91 HA PHE 12 HA PHE 12 -4.158 7.183 2.160 92 1HB PHE 12 1HB PHE 12 -3.388 6.234 4.923 93 2HB PHE 12 2HB PHE 12 -4.593 5.400 3.978 94 HD1 PHE 12 HD1 PHE 12 -0.992 6.475 3.918 95 HD2 PHE 12 HD2 PHE 12 -4.023 4.062 2.058 96 HE1 PHE 12 HE1 PHE 12 0.757 5.253 2.717 97 HE2 PHE 12 HE2 PHE 12 -2.237 2.809 0.861 98 HZ PHE 12 HZ PHE 12 0.159 3.428 1.166 99 H GLY 13 H GLY 13 -5.018 8.906 5.099 100 1HA GLY 13 1HA GLY 13 -7.028 9.769 5.790 101 2HA GLY 13 2HA GLY 13 -7.632 8.143 5.509 102 H LYS 14 H LYS 14 -6.836 11.146 3.584 103 HA LYS 14 HA LYS 14 -9.467 11.364 2.542 104 1HB LYS 14 1HB LYS 14 -6.924 12.724 2.228 105 2HB LYS 14 2HB LYS 14 -7.611 12.476 0.635 106 1HG LYS 14 1HG LYS 14 -9.145 13.759 2.923 107 2HG LYS 14 2HG LYS 14 -8.212 14.625 1.709 108 1HD LYS 14 1HD LYS 14 -9.885 12.918 0.182 109 2HD LYS 14 2HD LYS 14 -10.907 13.447 1.522 110 1HE LYS 14 1HE LYS 14 -10.288 15.828 0.992 111 2HE LYS 14 2HE LYS 14 -9.325 15.248 -0.372 112 1HZ LYS 14 1HZ LYS 14 -11.375 14.341 -1.346 113 2HZ LYS 14 2HZ LYS 14 -12.260 14.967 -0.099 114 3HZ LYS 14 3HZ LYS 14 -11.469 15.949 -1.131 115 H ALA 15 H ALA 15 -6.564 10.064 0.888 116 HA ALA 15 HA ALA 15 -7.678 9.270 -1.485 117 1HB ALA 15 1HB ALA 15 -5.664 7.612 0.109 118 2HB ALA 15 2HB ALA 15 -5.253 9.077 -0.804 119 3HB ALA 15 3HB ALA 15 -5.873 7.656 -1.661 120 H LEU 16 H LEU 16 -7.792 7.284 1.567 121 HA LEU 16 HA LEU 16 -9.280 5.092 0.433 122 1HB LEU 16 1HB LEU 16 -8.983 6.211 3.248 123 2HB LEU 16 2HB LEU 16 -10.058 4.863 2.909 124 HG LEU 16 HG LEU 16 -7.114 4.768 2.164 125 1HD1 LEU 16 1HD1 LEU 16 -7.500 5.150 4.646 126 2HD1 LEU 16 2HD1 LEU 16 -8.423 3.606 4.654 127 3HD1 LEU 16 3HD1 LEU 16 -6.704 3.639 4.190 128 1HD2 LEU 16 1HD2 LEU 16 -9.215 2.601 2.648 129 2HD2 LEU 16 2HD2 LEU 16 -8.568 3.065 1.060 130 3HD2 LEU 16 3HD2 LEU 16 -7.516 2.315 2.282 131 H ASP 17 H ASP 17 -10.165 8.164 2.031 132 HA ASP 17 HA ASP 17 -12.942 7.621 2.249 133 1HB ASP 17 1HB ASP 17 -11.348 9.482 3.322 134 2HB ASP 17 2HB ASP 17 -11.905 10.445 1.956 135 H GLU 18 H GLU 18 -11.012 8.843 -0.493 136 HA GLU 18 HA GLU 18 -13.404 9.319 -2.096 137 1HB GLU 18 1HB GLU 18 -10.489 8.973 -2.962 138 2HB GLU 18 2HB GLU 18 -11.775 9.772 -3.859 139 1HG GLU 18 1HG GLU 18 -10.958 10.850 -1.244 140 2HG GLU 18 2HG GLU 18 -9.996 11.162 -2.645 141 H CYS 19 H CYS 19 -10.806 6.834 -1.942 142 HA CYS 19 HA CYS 19 -11.565 5.182 -4.036 143 1HB CYS 19 1HB CYS 19 -9.511 4.965 -2.665 144 2HB CYS 19 2HB CYS 19 -10.483 4.418 -1.294 145 H LYS 20 H LYS 20 -12.658 5.020 -0.660 146 HA LYS 20 HA LYS 20 -14.399 2.792 -0.870 147 1HB LYS 20 1HB LYS 20 -15.349 3.541 1.234 148 2HB LYS 20 2HB LYS 20 -13.608 3.829 1.259 149 1HG LYS 20 1HG LYS 20 -14.071 5.837 2.010 150 2HG LYS 20 2HG LYS 20 -14.396 6.242 0.342 151 1HD LYS 20 1HD LYS 20 -16.186 7.143 1.545 152 2HD LYS 20 2HD LYS 20 -16.890 5.675 0.854 153 1HE LYS 20 1HE LYS 20 -16.502 4.476 2.980 154 2HE LYS 20 2HE LYS 20 -15.516 5.793 3.601 155 1HZ LYS 20 1HZ LYS 20 -17.468 7.172 3.748 156 2HZ LYS 20 2HZ LYS 20 -18.449 5.918 3.233 157 3HZ LYS 20 3HZ LYS 20 -17.626 5.780 4.611 158 H LYS 21 H LYS 21 -14.897 6.207 -1.875 159 HA LYS 21 HA LYS 21 -17.742 5.767 -2.227 160 1HB LYS 21 1HB LYS 21 -15.969 8.093 -3.126 161 2HB LYS 21 2HB LYS 21 -17.729 8.043 -3.188 162 1HG LYS 21 1HG LYS 21 -17.806 7.768 -0.693 163 2HG LYS 21 2HG LYS 21 -16.067 7.808 -0.657 164 1HD LYS 21 1HD LYS 21 -15.932 10.061 -1.449 165 2HD LYS 21 2HD LYS 21 -17.678 10.148 -1.746 166 1HE LYS 21 1HE LYS 21 -16.541 9.505 1.003 167 2HE LYS 21 2HE LYS 21 -16.685 11.178 0.465 168 1HZ LYS 21 1HZ LYS 21 -19.083 9.579 0.150 169 2HZ LYS 21 2HZ LYS 21 -18.668 9.942 1.707 170 3HZ LYS 21 3HZ LYS 21 -18.907 11.142 0.618 171 H GLU 22 H GLU 22 -14.742 5.950 -4.209 172 HA GLU 22 HA GLU 22 -15.828 5.882 -6.768 173 1HB GLU 22 1HB GLU 22 -13.210 4.751 -5.715 174 2HB GLU 22 2HB GLU 22 -13.662 4.742 -7.422 175 1HG GLU 22 1HG GLU 22 -13.858 7.202 -7.421 176 2HG GLU 22 2HG GLU 22 -13.335 7.243 -5.730 177 H MET 23 H MET 23 -14.546 3.031 -4.953 178 HA MET 23 HA MET 23 -15.703 1.221 -6.926 179 1HB MET 23 1HB MET 23 -14.915 0.210 -4.236 180 2HB MET 23 2HB MET 23 -14.700 -0.483 -5.810 181 1HG MET 23 1HG MET 23 -12.975 1.736 -5.794 182 2HG MET 23 2HG MET 23 -12.851 1.044 -4.185 183 1HE MET 23 1HE MET 23 -13.329 -0.246 -7.891 184 2HE MET 23 2HE MET 23 -11.958 0.885 -7.867 185 3HE MET 23 3HE MET 23 -11.684 -0.828 -8.223 186 H THR 24 H THR 24 -16.970 2.943 -4.347 187 HA THR 24 HA THR 24 -18.549 2.771 -2.817 188 HB THR 24 HB THR 24 -20.062 0.944 -4.715 189 HG1 THR 24 HG1 THR 24 -19.257 3.583 -5.019 190 1HG2 THR 24 1HG2 THR 24 -20.834 3.039 -2.642 191 2HG2 THR 24 2HG2 THR 24 -21.986 2.259 -3.754 192 3HG2 THR 24 3HG2 THR 24 -21.099 1.287 -2.555 193 H LEU 25 H LEU 25 -16.776 1.673 -1.722 194 HA LEU 25 HA LEU 25 -17.053 -1.226 -1.176 195 1HB LEU 25 1HB LEU 25 -15.183 0.748 0.187 196 2HB LEU 25 2HB LEU 25 -15.160 -0.994 0.325 197 HG LEU 25 HG LEU 25 -14.493 0.528 -2.213 198 1HD1 LEU 25 1HD1 LEU 25 -12.799 0.773 -0.463 199 2HD1 LEU 25 2HD1 LEU 25 -12.699 -1.019 -0.304 200 3HD1 LEU 25 3HD1 LEU 25 -12.207 -0.232 -1.819 201 1HD2 LEU 25 1HD2 LEU 25 -14.329 -2.460 -1.578 202 2HD2 LEU 25 2HD2 LEU 25 -15.452 -1.724 -2.725 203 3HD2 LEU 25 3HD2 LEU 25 -13.721 -1.698 -3.049 204 H THR 26 H THR 26 -16.766 -1.556 1.355 205 HA THR 26 HA THR 26 -19.142 -0.680 2.728 206 HB THR 26 HB THR 26 -18.048 -2.231 4.482 207 HG1 THR 26 HG1 THR 26 -16.333 -3.553 3.480 208 1HG2 THR 26 1HG2 THR 26 -18.467 -3.365 1.676 209 2HG2 THR 26 2HG2 THR 26 -18.484 -4.295 3.177 210 3HG2 THR 26 3HG2 THR 26 -19.742 -3.082 2.878 211 H ASP 27 H ASP 27 -18.456 -0.155 5.285 212 HA ASP 27 HA ASP 27 -16.623 2.211 5.090 213 1HB ASP 27 1HB ASP 27 -19.138 2.257 6.014 214 2HB ASP 27 2HB ASP 27 -18.332 1.723 7.489 215 H ALA 28 H ALA 28 -17.068 -0.853 6.584 216 HA ALA 28 HA ALA 28 -15.359 -0.881 8.732 217 1HB ALA 28 1HB ALA 28 -15.593 -3.052 6.604 218 2HB ALA 28 2HB ALA 28 -14.975 -3.261 8.258 219 3HB ALA 28 3HB ALA 28 -16.674 -2.828 8.002 220 H ILE 29 H ILE 29 -14.361 -0.891 5.320 221 HA ILE 29 HA ILE 29 -11.635 -1.431 5.467 222 HB ILE 29 HB ILE 29 -11.375 -0.473 3.412 223 1HG1 ILE 29 1HG1 ILE 29 -13.492 0.912 2.458 224 2HG1 ILE 29 2HG1 ILE 29 -13.642 1.367 4.164 225 1HG2 ILE 29 1HG2 ILE 29 -12.867 -2.473 3.517 226 2HG2 ILE 29 2HG2 ILE 29 -14.263 -1.373 3.408 227 3HG2 ILE 29 3HG2 ILE 29 -13.098 -1.447 2.090 228 1HD1 ILE 29 1HD1 ILE 29 -11.096 1.870 4.010 229 2HD1 ILE 29 2HD1 ILE 29 -11.309 1.730 2.263 230 3HD1 ILE 29 3HD1 ILE 29 -12.195 2.995 3.159 231 H ASN 30 H ASN 30 -13.194 1.482 6.643 232 HA ASN 30 HA ASN 30 -10.920 3.202 6.679 233 1HB ASN 30 1HB ASN 30 -13.415 3.711 6.984 234 2HB ASN 30 2HB ASN 30 -13.289 3.067 8.607 235 1HD2 ASN 30 1HD2 ASN 30 -12.129 5.768 6.453 236 2HD2 ASN 30 2HD2 ASN 30 -12.177 6.834 7.800 237 H GLU 31 H GLU 31 -11.925 0.630 8.782 238 HA GLU 31 HA GLU 31 -9.658 1.123 10.703 239 1HB GLU 31 1HB GLU 31 -12.313 -0.328 10.974 240 2HB GLU 31 2HB GLU 31 -10.956 -0.717 12.027 241 1HG GLU 31 1HG GLU 31 -11.762 2.179 11.768 242 2HG GLU 31 2HG GLU 31 -12.754 1.088 12.736 243 H ASP 32 H ASP 32 -11.424 -1.422 8.924 244 HA ASP 32 HA ASP 32 -9.957 -3.629 9.573 245 1HB ASP 32 1HB ASP 32 -12.171 -3.489 8.441 246 2HB ASP 32 2HB ASP 32 -11.342 -3.110 6.928 247 H PHE 33 H PHE 33 -9.205 -1.242 7.089 248 HA PHE 33 HA PHE 33 -7.083 -2.679 5.760 249 1HB PHE 33 1HB PHE 33 -8.306 -0.796 4.769 250 2HB PHE 33 2HB PHE 33 -7.762 0.260 6.065 251 HD1 PHE 33 HD1 PHE 33 -5.868 -2.161 3.819 252 HD2 PHE 33 HD2 PHE 33 -6.384 1.853 5.273 253 HE1 PHE 33 HE1 PHE 33 -3.948 -1.415 2.475 254 HE2 PHE 33 HE2 PHE 33 -4.550 2.632 3.791 255 HZ PHE 33 HZ PHE 33 -3.321 0.991 2.373 256 H TYR 34 H TYR 34 -7.077 -0.187 8.317 257 HA TYR 34 HA TYR 34 -4.208 -0.179 8.657 258 1HB TYR 34 1HB TYR 34 -6.433 0.761 10.476 259 2HB TYR 34 2HB TYR 34 -4.720 0.922 10.815 260 HD1 TYR 34 HD1 TYR 34 -7.254 1.839 8.164 261 HD2 TYR 34 HD2 TYR 34 -3.574 2.916 10.152 262 HE1 TYR 34 HE1 TYR 34 -7.163 3.911 6.850 263 HE2 TYR 34 HE2 TYR 34 -3.500 5.023 8.877 264 HH TYR 34 HH TYR 34 -5.787 6.473 7.499 265 H ASN 35 H ASN 35 -6.906 -1.871 10.198 266 HA ASN 35 HA ASN 35 -5.651 -3.277 12.237 267 1HB ASN 35 1HB ASN 35 -8.043 -3.694 10.462 268 2HB ASN 35 2HB ASN 35 -7.540 -5.010 11.444 269 1HD2 ASN 35 1HD2 ASN 35 -7.037 -4.192 13.885 270 2HD2 ASN 35 2HD2 ASN 35 -8.318 -3.154 14.529 271 H PHE 36 H PHE 36 -5.865 -4.222 8.746 272 HA PHE 36 HA PHE 36 -5.019 -6.846 8.922 273 1HB PHE 36 1HB PHE 36 -5.794 -5.801 6.845 274 2HB PHE 36 2HB PHE 36 -4.425 -4.710 6.854 275 HD1 PHE 36 HD1 PHE 36 -4.065 -8.435 7.390 276 HD2 PHE 36 HD2 PHE 36 -3.629 -5.093 4.689 277 HE1 PHE 36 HE1 PHE 36 -2.735 -9.837 5.865 278 HE2 PHE 36 HE2 PHE 36 -2.335 -6.516 3.141 279 HZ PHE 36 HZ PHE 36 -1.886 -8.893 3.698 280 H TRP 37 H TRP 37 -2.933 -3.936 9.052 281 HA TRP 37 HA TRP 37 -0.494 -5.374 8.554 282 1HB TRP 37 1HB TRP 37 -0.652 -2.718 9.973 283 2HB TRP 37 2HB TRP 37 0.560 -3.288 8.828 284 HD1 TRP 37 HD1 TRP 37 -1.517 -4.043 6.443 285 HE1 TRP 37 HE1 TRP 37 -2.743 -2.185 5.187 286 HE3 TRP 37 HE3 TRP 37 -0.917 -0.255 9.831 287 HZ2 TRP 37 HZ2 TRP 37 -3.331 0.598 5.574 288 HZ3 TRP 37 HZ3 TRP 37 -1.763 1.999 9.345 289 HH2 TRP 37 HH2 TRP 37 -2.972 2.467 7.200 290 H LYS 38 H LYS 38 -2.392 -5.032 11.433 291 HA LYS 38 HA LYS 38 -0.226 -5.080 13.363 292 1HB LYS 38 1HB LYS 38 -3.207 -5.743 13.506 293 2HB LYS 38 2HB LYS 38 -2.141 -5.651 14.919 294 1HG LYS 38 1HG LYS 38 -1.732 -3.298 14.527 295 2HG LYS 38 2HG LYS 38 -2.632 -3.301 13.017 296 1HD LYS 38 1HD LYS 38 -4.644 -3.163 14.014 297 2HD LYS 38 2HD LYS 38 -4.257 -4.320 15.266 298 1HE LYS 38 1HE LYS 38 -2.955 -2.560 16.458 299 2HE LYS 38 2HE LYS 38 -3.376 -1.414 15.173 300 1HZ LYS 38 1HZ LYS 38 -5.402 -2.761 16.877 301 2HZ LYS 38 2HZ LYS 38 -4.806 -1.271 17.178 302 3HZ LYS 38 3HZ LYS 38 -5.645 -1.516 15.803 303 H GLU 39 H GLU 39 0.295 -6.939 14.713 304 HA GLU 39 HA GLU 39 0.453 -9.367 13.229 305 1HB GLU 39 1HB GLU 39 1.056 -8.659 16.148 306 2HB GLU 39 2HB GLU 39 1.272 -10.292 15.454 307 1HG GLU 39 1HG GLU 39 3.401 -9.224 15.235 308 2HG GLU 39 2HG GLU 39 2.640 -9.348 13.633 309 H GLY 40 H GLY 40 -0.609 -11.208 13.357 310 1HA GLY 40 1HA GLY 40 -2.672 -11.798 15.355 311 2HA GLY 40 2HA GLY 40 -2.121 -12.832 14.033 312 H TYR 41 H TYR 41 -2.895 -9.751 12.743 313 HA TYR 41 HA TYR 41 -5.783 -10.134 12.624 314 1HB TYR 41 1HB TYR 41 -3.828 -8.008 12.035 315 2HB TYR 41 2HB TYR 41 -5.236 -8.045 11.029 316 HD1 TYR 41 HD1 TYR 41 -7.421 -7.519 11.870 317 HD2 TYR 41 HD2 TYR 41 -4.069 -7.719 14.545 318 HE1 TYR 41 HE1 TYR 41 -8.771 -6.386 13.546 319 HE2 TYR 41 HE2 TYR 41 -5.390 -6.517 16.267 320 HH TYR 41 HH TYR 41 -8.828 -5.915 16.030 321 H GLU 42 H GLU 42 -6.187 -11.981 11.394 322 HA GLU 42 HA GLU 42 -4.928 -12.278 8.762 323 1HB GLU 42 1HB GLU 42 -5.263 -14.173 10.351 324 2HB GLU 42 2HB GLU 42 -7.009 -14.055 10.072 325 1HG GLU 42 1HG GLU 42 -6.605 -14.400 7.635 326 2HG GLU 42 2HG GLU 42 -4.864 -14.411 7.937 327 H ILE 43 H ILE 43 -5.948 -10.006 8.530 328 HA ILE 43 HA ILE 43 -8.766 -9.899 7.790 329 HB ILE 43 HB ILE 43 -6.582 -7.880 7.427 330 1HG1 ILE 43 1HG1 ILE 43 -6.950 -8.060 9.717 331 2HG1 ILE 43 2HG1 ILE 43 -8.010 -6.757 9.247 332 1HG2 ILE 43 1HG2 ILE 43 -9.573 -7.766 6.924 333 2HG2 ILE 43 2HG2 ILE 43 -8.544 -6.334 7.084 334 3HG2 ILE 43 3HG2 ILE 43 -8.280 -7.460 5.751 335 1HD1 ILE 43 1HD1 ILE 43 -9.910 -8.468 9.206 336 2HD1 ILE 43 2HD1 ILE 43 -8.778 -9.508 10.117 337 3HD1 ILE 43 3HD1 ILE 43 -9.277 -7.923 10.753 338 H LYS 44 H LYS 44 -8.890 -11.635 6.217 339 HA LYS 44 HA LYS 44 -7.659 -11.005 3.596 340 1HB LYS 44 1HB LYS 44 -7.491 -13.235 3.133 341 2HB LYS 44 2HB LYS 44 -6.552 -12.804 4.556 342 1HG LYS 44 1HG LYS 44 -8.177 -13.788 6.013 343 2HG LYS 44 2HG LYS 44 -9.241 -14.198 4.661 344 1HD LYS 44 1HD LYS 44 -6.415 -15.249 5.135 345 2HD LYS 44 2HD LYS 44 -7.892 -16.174 5.426 346 1HE LYS 44 1HE LYS 44 -6.993 -15.064 2.723 347 2HE LYS 44 2HE LYS 44 -6.720 -16.728 3.258 348 1HZ LYS 44 1HZ LYS 44 -9.441 -15.592 3.065 349 2HZ LYS 44 2HZ LYS 44 -8.712 -16.305 1.812 350 3HZ LYS 44 3HZ LYS 44 -8.989 -17.183 3.169 351 H ASN 45 H ASN 45 -9.919 -9.723 4.270 352 HA ASN 45 HA ASN 45 -12.155 -10.985 2.870 353 1HB ASN 45 1HB ASN 45 -12.529 -9.295 4.717 354 2HB ASN 45 2HB ASN 45 -11.931 -8.055 3.605 355 1HD2 ASN 45 1HD2 ASN 45 -14.143 -7.017 3.363 356 2HD2 ASN 45 2HD2 ASN 45 -15.335 -7.903 2.391 357 H ARG 46 H ARG 46 -12.822 -8.693 1.340 358 HA ARG 46 HA ARG 46 -11.060 -9.065 -1.029 359 1HB ARG 46 1HB ARG 46 -13.977 -8.245 -1.060 360 2HB ARG 46 2HB ARG 46 -13.025 -8.897 -2.390 361 1HG ARG 46 1HG ARG 46 -13.085 -11.111 -1.275 362 2HG ARG 46 2HG ARG 46 -13.805 -10.428 0.127 363 1HD ARG 46 1HD ARG 46 -15.130 -11.560 -1.923 364 2HD ARG 46 2HD ARG 46 -15.799 -10.583 -0.553 365 HE ARG 46 HE ARG 46 -15.057 -9.354 -3.190 366 1HH1 ARG 46 1HH1 ARG 46 -16.352 -7.497 -3.679 367 2HH1 ARG 46 2HH1 ARG 46 -17.937 -7.341 -3.000 368 1HH2 ARG 46 1HH2 ARG 46 -17.721 -10.346 -1.139 369 2HH2 ARG 46 2HH2 ARG 46 -18.549 -8.813 -1.190 370 H GLU 47 H GLU 47 -13.463 -6.738 0.256 371 HA GLU 47 HA GLU 47 -12.894 -4.506 -1.098 372 1HB GLU 47 1HB GLU 47 -13.657 -4.546 1.806 373 2HB GLU 47 2HB GLU 47 -13.850 -3.225 0.649 374 1HG GLU 47 1HG GLU 47 -15.404 -5.776 0.876 375 2HG GLU 47 2HG GLU 47 -15.887 -4.088 0.663 376 H THR 48 H THR 48 -11.150 -5.554 1.869 377 HA THR 48 HA THR 48 -9.592 -3.277 2.227 378 HB THR 48 HB THR 48 -8.766 -6.095 3.016 379 HG1 THR 48 HG1 THR 48 -10.385 -5.483 4.864 380 1HG2 THR 48 1HG2 THR 48 -7.369 -4.157 3.692 381 2HG2 THR 48 2HG2 THR 48 -8.790 -3.425 4.478 382 3HG2 THR 48 3HG2 THR 48 -8.108 -4.948 5.098 383 H GLY 49 H GLY 49 -9.053 -6.184 0.234 384 1HA GLY 49 1HA GLY 49 -7.397 -6.709 -1.286 385 2HA GLY 49 2HA GLY 49 -6.338 -5.463 -0.592 386 H CYS 50 H CYS 50 -9.718 -5.033 -1.720 387 HA CYS 50 HA CYS 50 -8.987 -3.804 -4.179 388 1HB CYS 50 1HB CYS 50 -11.445 -4.379 -2.900 389 2HB CYS 50 2HB CYS 50 -11.473 -2.693 -3.320 390 H ALA 51 H ALA 51 -9.447 -2.407 -0.885 391 HA ALA 51 HA ALA 51 -9.061 0.291 -1.606 392 1HB ALA 51 1HB ALA 51 -8.200 0.671 0.694 393 2HB ALA 51 2HB ALA 51 -7.993 -1.059 0.935 394 3HB ALA 51 3HB ALA 51 -9.620 -0.378 0.737 395 H ILE 52 H ILE 52 -6.524 -2.249 -1.014 396 HA ILE 52 HA ILE 52 -4.337 -0.507 -1.558 397 HB ILE 52 HB ILE 52 -4.681 -3.512 -1.698 398 1HG1 ILE 52 1HG1 ILE 52 -3.363 -1.663 0.330 399 2HG1 ILE 52 2HG1 ILE 52 -4.965 -2.377 0.532 400 1HG2 ILE 52 1HG2 ILE 52 -2.749 -2.770 -3.168 401 2HG2 ILE 52 2HG2 ILE 52 -2.027 -2.004 -1.736 402 3HG2 ILE 52 3HG2 ILE 52 -2.242 -3.743 -1.792 403 1HD1 ILE 52 1HD1 ILE 52 -2.400 -3.991 0.434 404 2HD1 ILE 52 2HD1 ILE 52 -3.303 -3.534 1.882 405 3HD1 ILE 52 3HD1 ILE 52 -4.058 -4.600 0.705 406 H MET 53 H MET 53 -5.999 -2.865 -3.726 407 HA MET 53 HA MET 53 -4.685 -2.311 -6.126 408 1HB MET 53 1HB MET 53 -6.168 -4.224 -5.514 409 2HB MET 53 2HB MET 53 -7.508 -3.175 -5.462 410 1HG MET 53 1HG MET 53 -6.308 -2.979 -8.024 411 2HG MET 53 2HG MET 53 -6.286 -4.658 -7.621 412 1HE MET 53 1HE MET 53 -8.659 -1.562 -7.440 413 2HE MET 53 2HE MET 53 -10.285 -2.303 -7.543 414 3HE MET 53 3HE MET 53 -9.330 -2.491 -6.069 415 H CYS 54 H CYS 54 -7.145 -0.398 -4.580 416 HA CYS 54 HA CYS 54 -7.783 1.293 -6.928 417 1HB CYS 54 1HB CYS 54 -9.539 0.607 -5.402 418 2HB CYS 54 2HB CYS 54 -8.563 1.042 -4.017 419 H LEU 55 H LEU 55 -6.128 1.439 -3.754 420 HA LEU 55 HA LEU 55 -5.384 4.177 -3.939 421 1HB LEU 55 1HB LEU 55 -4.402 1.842 -2.285 422 2HB LEU 55 2HB LEU 55 -3.659 3.424 -2.162 423 HG LEU 55 HG LEU 55 -6.664 3.058 -1.743 424 1HD1 LEU 55 1HD1 LEU 55 -4.337 2.918 0.190 425 2HD1 LEU 55 2HD1 LEU 55 -6.005 3.235 0.712 426 3HD1 LEU 55 3HD1 LEU 55 -5.581 1.703 -0.068 427 1HD2 LEU 55 1HD2 LEU 55 -4.692 5.269 -1.134 428 2HD2 LEU 55 2HD2 LEU 55 -6.024 5.309 -2.292 429 3HD2 LEU 55 3HD2 LEU 55 -6.376 5.226 -0.554 430 H SER 56 H SER 56 -4.020 1.290 -5.417 431 HA SER 56 HA SER 56 -1.423 2.371 -5.757 432 1HB SER 56 1HB SER 56 -1.067 0.498 -7.227 433 2HB SER 56 2HB SER 56 -1.928 -0.037 -5.809 434 HG SER 56 HG SER 56 -2.601 -0.678 -8.028 435 H THR 57 H THR 57 -4.270 3.566 -7.003 436 HA THR 57 HA THR 57 -2.713 5.098 -9.002 437 HB THR 57 HB THR 57 -3.974 3.363 -10.157 438 HG1 THR 57 HG1 THR 57 -3.596 5.439 -11.086 439 1HG2 THR 57 1HG2 THR 57 -6.464 4.700 -9.050 440 2HG2 THR 57 2HG2 THR 57 -6.418 3.490 -10.357 441 3HG2 THR 57 3HG2 THR 57 -5.891 3.043 -8.734 442 H LYS 58 H LYS 58 -3.272 5.462 -6.226 443 HA LYS 58 HA LYS 58 -4.564 8.164 -6.325 444 1HB LYS 58 1HB LYS 58 -4.568 6.094 -4.074 445 2HB LYS 58 2HB LYS 58 -5.138 7.725 -3.873 446 1HG LYS 58 1HG LYS 58 -6.397 6.112 -6.072 447 2HG LYS 58 2HG LYS 58 -6.925 5.823 -4.402 448 1HD LYS 58 1HD LYS 58 -7.513 8.085 -4.074 449 2HD LYS 58 2HD LYS 58 -6.880 8.514 -5.679 450 1HE LYS 58 1HE LYS 58 -8.979 6.345 -5.273 451 2HE LYS 58 2HE LYS 58 -9.415 8.033 -5.415 452 1HZ LYS 58 1HZ LYS 58 -7.943 6.496 -7.462 453 2HZ LYS 58 2HZ LYS 58 -9.553 6.850 -7.462 454 3HZ LYS 58 3HZ LYS 58 -8.452 8.072 -7.610 455 H LEU 59 H LEU 59 -1.605 7.089 -6.554 456 HA LEU 59 HA LEU 59 -0.230 7.701 -4.167 457 1HB LEU 59 1HB LEU 59 0.805 8.306 -6.949 458 2HB LEU 59 2HB LEU 59 1.761 7.960 -5.519 459 HG LEU 59 HG LEU 59 -0.080 6.002 -6.951 460 1HD1 LEU 59 1HD1 LEU 59 1.976 6.772 -8.225 461 2HD1 LEU 59 2HD1 LEU 59 2.950 5.965 -6.980 462 3HD1 LEU 59 3HD1 LEU 59 1.804 5.037 -7.981 463 1HD2 LEU 59 1HD2 LEU 59 0.182 5.390 -4.580 464 2HD2 LEU 59 2HD2 LEU 59 0.963 4.240 -5.662 465 3HD2 LEU 59 3HD2 LEU 59 1.953 5.409 -4.782 466 H ASN 60 H ASN 60 -1.460 9.886 -6.677 467 HA ASN 60 HA ASN 60 -0.187 12.287 -5.713 468 1HB ASN 60 1HB ASN 60 -1.601 13.358 -7.312 469 2HB ASN 60 2HB ASN 60 -1.004 11.875 -8.061 470 1HD2 ASN 60 1HD2 ASN 60 -3.573 13.647 -8.299 471 2HD2 ASN 60 2HD2 ASN 60 -4.842 12.436 -8.368 472 H MET 61 H MET 61 -2.839 10.493 -4.495 473 HA MET 61 HA MET 61 -4.071 12.830 -3.144 474 1HB MET 61 1HB MET 61 -4.636 9.836 -2.962 475 2HB MET 61 2HB MET 61 -5.508 11.075 -2.107 476 1HG MET 61 1HG MET 61 -5.344 10.880 -5.137 477 2HG MET 61 2HG MET 61 -6.650 10.242 -4.142 478 1HE MET 61 1HE MET 61 -7.887 11.667 -2.369 479 2HE MET 61 2HE MET 61 -6.811 13.011 -1.928 480 3HE MET 61 3HE MET 61 -8.397 13.339 -2.657 481 H LEU 62 H LEU 62 -2.048 9.929 -2.555 482 HA LEU 62 HA LEU 62 -1.888 10.158 0.302 483 1HB LEU 62 1HB LEU 62 -0.115 8.737 -1.753 484 2HB LEU 62 2HB LEU 62 -0.151 8.371 -0.058 485 HG LEU 62 HG LEU 62 -2.535 8.061 -1.878 486 1HD1 LEU 62 1HD1 LEU 62 -0.688 6.543 -2.530 487 2HD1 LEU 62 2HD1 LEU 62 -0.705 5.853 -0.898 488 3HD1 LEU 62 3HD1 LEU 62 -2.129 5.694 -1.973 489 1HD2 LEU 62 1HD2 LEU 62 -1.945 7.156 0.947 490 2HD2 LEU 62 2HD2 LEU 62 -3.224 8.255 0.369 491 3HD2 LEU 62 3HD2 LEU 62 -3.300 6.535 -0.013 492 H ASP 63 H ASP 63 0.105 11.115 -2.399 493 HA ASP 63 HA ASP 63 2.108 12.385 -0.586 494 1HB ASP 63 1HB ASP 63 2.834 10.425 -1.885 495 2HB ASP 63 2HB ASP 63 2.525 11.289 -3.390 496 HA PRO 64 HA PRO 64 0.003 15.864 -2.703 497 1HB PRO 64 1HB PRO 64 0.478 17.813 -0.807 498 2HB PRO 64 2HB PRO 64 -0.841 16.606 -0.670 499 1HG PRO 64 1HG PRO 64 1.952 16.473 0.537 500 2HG PRO 64 2HG PRO 64 0.395 16.235 1.362 501 1HD PRO 64 1HD PRO 64 1.760 14.102 0.530 502 2HD PRO 64 2HD PRO 64 0.019 14.156 0.229 503 H GLU 65 H GLU 65 3.279 15.866 -1.271 504 HA GLU 65 HA GLU 65 4.306 18.099 -2.775 505 1HB GLU 65 1HB GLU 65 5.747 15.577 -1.849 506 2HB GLU 65 2HB GLU 65 6.526 16.998 -2.537 507 1HG GLU 65 1HG GLU 65 5.651 18.378 -0.660 508 2HG GLU 65 2HG GLU 65 4.964 16.930 0.070 509 H GLY 66 H GLY 66 3.562 14.717 -3.640 510 1HA GLY 66 1HA GLY 66 3.897 15.192 -6.474 511 2HA GLY 66 2HA GLY 66 3.555 13.649 -5.649 512 H ASN 67 H ASN 67 5.417 13.158 -3.992 513 HA ASN 67 HA ASN 67 8.001 13.095 -5.510 514 1HB ASN 67 1HB ASN 67 7.191 12.686 -2.618 515 2HB ASN 67 2HB ASN 67 8.400 11.554 -3.198 516 1HD2 ASN 67 1HD2 ASN 67 7.676 14.990 -2.606 517 2HD2 ASN 67 2HD2 ASN 67 9.303 15.574 -2.892 518 H LEU 68 H LEU 68 5.680 10.955 -3.842 519 HA LEU 68 HA LEU 68 6.588 8.590 -5.089 520 1HB LEU 68 1HB LEU 68 5.277 8.832 -2.920 521 2HB LEU 68 2HB LEU 68 3.854 9.230 -3.880 522 HG LEU 68 HG LEU 68 3.851 7.028 -4.943 523 1HD1 LEU 68 1HD1 LEU 68 6.412 6.561 -3.381 524 2HD1 LEU 68 2HD1 LEU 68 5.445 5.249 -4.076 525 3HD1 LEU 68 3HD1 LEU 68 6.157 6.452 -5.140 526 1HD2 LEU 68 1HD2 LEU 68 4.175 6.953 -1.919 527 2HD2 LEU 68 2HD2 LEU 68 2.670 7.215 -2.850 528 3HD2 LEU 68 3HD2 LEU 68 3.523 5.636 -2.910 529 H HIS 69 H HIS 69 6.274 7.856 -7.132 530 HA HIS 69 HA HIS 69 3.821 8.553 -8.628 531 1HB HIS 69 1HB HIS 69 6.705 8.776 -9.426 532 2HB HIS 69 2HB HIS 69 5.483 8.754 -10.637 533 HD1 HIS 69 HD1 HIS 69 3.451 10.855 -9.058 534 HD2 HIS 69 HD2 HIS 69 7.646 11.218 -9.446 535 HE1 HIS 69 HE1 HIS 69 4.021 13.317 -8.771 536 H HIS 70 H HIS 70 3.849 7.188 -10.611 537 HA HIS 70 HA HIS 70 3.736 4.394 -9.660 538 1HB HIS 70 1HB HIS 70 1.814 5.241 -10.830 539 2HB HIS 70 2HB HIS 70 2.806 5.805 -12.167 540 HD1 HIS 70 HD1 HIS 70 0.734 4.396 -13.394 541 HD2 HIS 70 HD2 HIS 70 3.826 2.248 -11.536 542 HE1 HIS 70 HE1 HIS 70 0.773 2.062 -14.477 543 H GLY 71 H GLY 71 5.409 3.059 -9.918 544 1HA GLY 71 1HA GLY 71 7.063 2.924 -12.268 545 2HA GLY 71 2HA GLY 71 7.265 2.044 -10.743 546 H ASN 72 H ASN 72 7.182 4.975 -9.450 547 HA ASN 72 HA ASN 72 10.061 5.541 -9.731 548 1HB ASN 72 1HB ASN 72 8.871 6.721 -11.624 549 2HB ASN 72 2HB ASN 72 7.896 7.528 -10.466 550 1HD2 ASN 72 1HD2 ASN 72 9.069 9.245 -11.938 551 2HD2 ASN 72 2HD2 ASN 72 10.599 9.866 -11.346 552 H ALA 73 H ALA 73 9.826 4.716 -7.482 553 HA ALA 73 HA ALA 73 8.748 6.763 -5.626 554 1HB ALA 73 1HB ALA 73 7.427 4.628 -5.699 555 2HB ALA 73 2HB ALA 73 8.194 4.933 -4.112 556 3HB ALA 73 3HB ALA 73 8.872 3.748 -5.218 557 H MET 74 H MET 74 11.597 6.155 -6.868 558 HA MET 74 HA MET 74 13.168 4.830 -4.866 559 1HB MET 74 1HB MET 74 13.758 6.534 -7.332 560 2HB MET 74 2HB MET 74 15.053 5.972 -6.280 561 1HG MET 74 1HG MET 74 13.084 4.131 -7.688 562 2HG MET 74 2HG MET 74 14.712 4.530 -8.245 563 1HE MET 74 1HE MET 74 14.558 1.687 -8.345 564 2HE MET 74 2HE MET 74 16.169 2.430 -8.240 565 3HE MET 74 3HE MET 74 15.770 1.025 -7.222 566 H GLU 75 H GLU 75 12.320 8.158 -5.576 567 HA GLU 75 HA GLU 75 14.231 9.261 -3.640 568 1HB GLU 75 1HB GLU 75 12.065 10.436 -5.387 569 2HB GLU 75 2HB GLU 75 12.933 11.405 -4.204 570 1HG GLU 75 1HG GLU 75 14.342 9.773 -6.361 571 2HG GLU 75 2HG GLU 75 13.816 11.425 -6.610 572 H PHE 76 H PHE 76 10.711 8.462 -3.685 573 HA PHE 76 HA PHE 76 10.137 9.653 -1.120 574 1HB PHE 76 1HB PHE 76 8.252 9.193 -2.431 575 2HB PHE 76 2HB PHE 76 8.825 7.601 -2.904 576 HD1 PHE 76 HD1 PHE 76 8.151 5.703 -1.798 577 HD2 PHE 76 HD2 PHE 76 7.695 9.482 0.176 578 HE1 PHE 76 HE1 PHE 76 6.805 4.593 -0.012 579 HE2 PHE 76 HE2 PHE 76 6.318 8.352 1.996 580 HZ PHE 76 HZ PHE 76 5.883 5.979 1.878 581 H ALA 77 H ALA 77 11.013 6.238 -2.120 582 HA ALA 77 HA ALA 77 11.187 5.201 0.466 583 1HB ALA 77 1HB ALA 77 12.868 4.602 -2.009 584 2HB ALA 77 2HB ALA 77 12.758 3.539 -0.594 585 3HB ALA 77 3HB ALA 77 11.324 3.849 -1.588 586 H LYS 78 H LYS 78 13.783 6.913 -1.345 587 HA LYS 78 HA LYS 78 15.714 6.839 0.711 588 1HB LYS 78 1HB LYS 78 15.222 8.510 -1.729 589 2HB LYS 78 2HB LYS 78 16.309 9.187 -0.526 590 1HG LYS 78 1HG LYS 78 17.690 7.193 -0.528 591 2HG LYS 78 2HG LYS 78 16.615 6.394 -1.680 592 1HD LYS 78 1HD LYS 78 17.122 8.044 -3.397 593 2HD LYS 78 2HD LYS 78 18.016 9.054 -2.239 594 1HE LYS 78 1HE LYS 78 19.703 7.347 -1.919 595 2HE LYS 78 2HE LYS 78 18.787 6.188 -2.907 596 1HZ LYS 78 1HZ LYS 78 19.651 8.752 -4.056 597 2HZ LYS 78 2HZ LYS 78 20.699 7.458 -3.997 598 3HZ LYS 78 3HZ LYS 78 19.267 7.364 -4.812 599 H LYS 79 H LYS 79 12.826 8.925 0.560 600 HA LYS 79 HA LYS 79 13.706 10.856 2.504 601 1HB LYS 79 1HB LYS 79 10.914 9.879 1.844 602 2HB LYS 79 2HB LYS 79 11.271 11.103 2.982 603 1HG LYS 79 1HG LYS 79 12.695 12.156 0.970 604 2HG LYS 79 2HG LYS 79 11.663 11.116 -0.017 605 1HD LYS 79 1HD LYS 79 9.665 12.204 0.925 606 2HD LYS 79 2HD LYS 79 10.709 13.211 1.949 607 1HE LYS 79 1HE LYS 79 11.893 13.884 -0.257 608 2HE LYS 79 2HE LYS 79 10.474 13.251 -1.087 609 1HZ LYS 79 1HZ LYS 79 10.398 15.335 1.021 610 2HZ LYS 79 2HZ LYS 79 10.511 15.667 -0.566 611 3HZ LYS 79 3HZ LYS 79 9.147 14.953 0.020 612 H HIS 80 H HIS 80 12.688 7.451 2.799 613 HA HIS 80 HA HIS 80 12.730 7.752 5.749 614 1HB HIS 80 1HB HIS 80 11.577 5.566 4.078 615 2HB HIS 80 2HB HIS 80 11.211 5.929 5.780 616 HD1 HIS 80 HD1 HIS 80 9.674 8.350 6.080 617 HD2 HIS 80 HD2 HIS 80 10.278 6.839 2.220 618 HE1 HIS 80 HE1 HIS 80 8.220 9.736 4.453 619 H GLY 81 H GLY 81 14.967 7.405 3.606 620 1HA GLY 81 1HA GLY 81 16.738 5.981 5.309 621 2HA GLY 81 2HA GLY 81 17.059 6.701 3.719 622 H ALA 82 H ALA 82 14.675 4.804 2.890 623 HA ALA 82 HA ALA 82 16.089 2.212 2.670 624 1HB ALA 82 1HB ALA 82 13.460 3.259 1.529 625 2HB ALA 82 2HB ALA 82 14.137 1.659 1.156 626 3HB ALA 82 3HB ALA 82 13.674 2.066 2.825 627 H ASP 83 H ASP 83 17.736 2.060 1.190 628 HA ASP 83 HA ASP 83 18.190 4.212 -0.722 629 1HB ASP 83 1HB ASP 83 20.172 2.736 -1.338 630 2HB ASP 83 2HB ASP 83 20.150 3.359 0.265 631 H GLU 84 H GLU 84 19.185 2.940 -2.903 632 HA GLU 84 HA GLU 84 16.822 2.415 -4.435 633 1HB GLU 84 1HB GLU 84 18.346 3.429 -5.764 634 2HB GLU 84 2HB GLU 84 19.724 2.853 -4.826 635 1HG GLU 84 1HG GLU 84 19.647 0.705 -5.855 636 2HG GLU 84 2HG GLU 84 18.182 1.128 -6.773 637 H THR 85 H THR 85 19.482 0.356 -3.051 638 HA THR 85 HA THR 85 18.532 -2.005 -4.361 639 HB THR 85 HB THR 85 20.297 -1.629 -1.898 640 HG1 THR 85 HG1 THR 85 21.727 -1.201 -3.354 641 1HG2 THR 85 1HG2 THR 85 19.806 -4.078 -3.619 642 2HG2 THR 85 2HG2 THR 85 21.014 -3.932 -2.314 643 3HG2 THR 85 3HG2 THR 85 19.304 -3.887 -1.926 644 H MET 86 H MET 86 17.862 -0.553 -1.064 645 HA MET 86 HA MET 86 16.245 -2.641 -0.174 646 1HB MET 86 1HB MET 86 16.350 0.406 0.283 647 2HB MET 86 2HB MET 86 15.282 -0.608 1.191 648 1HG MET 86 1HG MET 86 17.420 -2.019 1.665 649 2HG MET 86 2HG MET 86 18.282 -0.586 1.203 650 1HE MET 86 1HE MET 86 19.383 -0.821 3.652 651 2HE MET 86 2HE MET 86 18.458 -0.646 5.166 652 3HE MET 86 3HE MET 86 18.264 -2.108 4.172 653 H ALA 87 H ALA 87 15.413 0.167 -2.190 654 HA ALA 87 HA ALA 87 12.582 -0.497 -2.276 655 1HB ALA 87 1HB ALA 87 14.342 0.979 -4.290 656 2HB ALA 87 2HB ALA 87 12.569 0.847 -4.379 657 3HB ALA 87 3HB ALA 87 13.295 1.679 -3.011 658 H GLN 88 H GLN 88 15.353 -1.351 -4.460 659 HA GLN 88 HA GLN 88 13.916 -2.752 -6.355 660 1HB GLN 88 1HB GLN 88 16.600 -2.097 -5.685 661 2HB GLN 88 2HB GLN 88 16.601 -3.817 -5.646 662 1HG GLN 88 1HG GLN 88 15.689 -1.975 -7.849 663 2HG GLN 88 2HG GLN 88 17.227 -2.873 -7.746 664 1HE2 GLN 88 1HE2 GLN 88 13.735 -3.163 -8.608 665 2HE2 GLN 88 2HE2 GLN 88 13.813 -4.889 -8.921 666 H GLN 89 H GLN 89 15.493 -3.886 -3.548 667 HA GLN 89 HA GLN 89 14.864 -6.667 -3.510 668 1HB GLN 89 1HB GLN 89 15.147 -4.613 -1.304 669 2HB GLN 89 2HB GLN 89 14.653 -6.243 -0.891 670 1HG GLN 89 1HG GLN 89 17.128 -5.725 -2.590 671 2HG GLN 89 2HG GLN 89 17.171 -5.633 -0.832 672 1HE2 GLN 89 1HE2 GLN 89 18.854 -7.449 -1.458 673 2HE2 GLN 89 2HE2 GLN 89 18.182 -9.066 -1.574 674 H LEU 90 H LEU 90 12.746 -3.968 -2.326 675 HA LEU 90 HA LEU 90 10.589 -5.793 -1.613 676 1HB LEU 90 1HB LEU 90 10.644 -2.799 -2.138 677 2HB LEU 90 2HB LEU 90 9.282 -3.663 -1.509 678 HG LEU 90 HG LEU 90 11.989 -3.361 -0.150 679 1HD1 LEU 90 1HD1 LEU 90 10.754 -1.254 -0.342 680 2HD1 LEU 90 2HD1 LEU 90 9.332 -1.985 0.418 681 3HD1 LEU 90 3HD1 LEU 90 10.835 -1.760 1.340 682 1HD2 LEU 90 1HD2 LEU 90 10.661 -5.471 0.506 683 2HD2 LEU 90 2HD2 LEU 90 11.285 -4.431 1.772 684 3HD2 LEU 90 3HD2 LEU 90 9.581 -4.335 1.357 685 H ILE 91 H ILE 91 11.463 -3.956 -4.482 686 HA ILE 91 HA ILE 91 8.947 -4.333 -5.832 687 HB ILE 91 HB ILE 91 11.734 -3.517 -6.732 688 1HG1 ILE 91 1HG1 ILE 91 9.297 -1.763 -6.498 689 2HG1 ILE 91 2HG1 ILE 91 10.191 -2.109 -5.042 690 1HG2 ILE 91 1HG2 ILE 91 9.109 -3.370 -8.245 691 2HG2 ILE 91 2HG2 ILE 91 10.604 -2.564 -8.746 692 3HG2 ILE 91 3HG2 ILE 91 10.535 -4.335 -8.704 693 1HD1 ILE 91 1HD1 ILE 91 12.247 -1.231 -6.177 694 2HD1 ILE 91 2HD1 ILE 91 11.183 -0.696 -7.506 695 3HD1 ILE 91 3HD1 ILE 91 10.966 -0.059 -5.848 696 H ASP 92 H ASP 92 12.036 -6.129 -5.865 697 HA ASP 92 HA ASP 92 11.394 -8.144 -7.777 698 1HB ASP 92 1HB ASP 92 13.522 -7.667 -6.152 699 2HB ASP 92 2HB ASP 92 12.807 -8.944 -5.229 700 H ILE 93 H ILE 93 10.799 -7.947 -4.295 701 HA ILE 93 HA ILE 93 9.186 -10.254 -4.045 702 HB ILE 93 HB ILE 93 9.317 -7.686 -2.416 703 1HG1 ILE 93 1HG1 ILE 93 10.424 -10.448 -1.936 704 2HG1 ILE 93 2HG1 ILE 93 11.362 -9.171 -2.625 705 1HG2 ILE 93 1HG2 ILE 93 7.824 -10.231 -1.774 706 2HG2 ILE 93 2HG2 ILE 93 8.144 -8.889 -0.645 707 3HG2 ILE 93 3HG2 ILE 93 7.125 -8.619 -2.045 708 1HD1 ILE 93 1HD1 ILE 93 10.197 -8.993 0.160 709 2HD1 ILE 93 2HD1 ILE 93 11.873 -9.361 -0.272 710 3HD1 ILE 93 3HD1 ILE 93 11.183 -7.778 -0.666 711 H VAL 94 H VAL 94 8.047 -6.841 -4.846 712 HA VAL 94 HA VAL 94 5.308 -7.581 -4.924 713 HB VAL 94 HB VAL 94 6.813 -5.388 -6.320 714 1HG1 VAL 94 1HG1 VAL 94 3.758 -5.735 -6.365 715 2HG1 VAL 94 2HG1 VAL 94 4.658 -4.272 -6.827 716 3HG1 VAL 94 3HG1 VAL 94 4.835 -5.716 -7.755 717 1HG2 VAL 94 1HG2 VAL 94 6.599 -5.263 -3.860 718 2HG2 VAL 94 2HG2 VAL 94 5.667 -4.012 -4.652 719 3HG2 VAL 94 3HG2 VAL 94 4.838 -5.433 -3.963 720 H HIS 95 H HIS 95 7.683 -7.552 -7.602 721 HA HIS 95 HA HIS 95 5.778 -8.685 -9.475 722 1HB HIS 95 1HB HIS 95 8.798 -8.460 -9.603 723 2HB HIS 95 2HB HIS 95 7.690 -8.682 -10.973 724 HD1 HIS 95 HD1 HIS 95 9.719 -6.162 -10.638 725 HD2 HIS 95 HD2 HIS 95 5.600 -6.265 -9.684 726 HE1 HIS 95 HE1 HIS 95 8.867 -3.732 -10.530 727 H GLY 96 H GLY 96 7.797 -9.973 -7.082 728 1HA GLY 96 1HA GLY 96 8.439 -12.056 -6.439 729 2HA GLY 96 2HA GLY 96 7.942 -12.704 -8.032 730 H CYS 97 H CYS 97 5.712 -10.839 -6.175 731 HA CYS 97 HA CYS 97 4.520 -13.183 -4.802 732 1HB CYS 97 1HB CYS 97 4.329 -10.192 -4.567 733 2HB CYS 97 2HB CYS 97 3.118 -11.219 -3.806 734 H GLU 98 H GLU 98 3.813 -10.948 -7.426 735 HA GLU 98 HA GLU 98 1.111 -11.688 -7.909 736 1HB GLU 98 1HB GLU 98 3.370 -11.081 -9.820 737 2HB GLU 98 2HB GLU 98 1.706 -11.237 -10.290 738 1HG GLU 98 1HG GLU 98 1.094 -9.317 -8.847 739 2HG GLU 98 2HG GLU 98 2.770 -9.189 -8.355 740 H LYS 99 H LYS 99 4.008 -13.573 -7.923 741 HA LYS 99 HA LYS 99 3.310 -15.363 -10.091 742 1HB LYS 99 1HB LYS 99 5.637 -15.710 -8.260 743 2HB LYS 99 2HB LYS 99 5.354 -16.310 -9.918 744 1HG LYS 99 1HG LYS 99 5.761 -13.437 -9.135 745 2HG LYS 99 2HG LYS 99 6.925 -14.515 -9.886 746 1HD LYS 99 1HD LYS 99 4.309 -13.779 -11.178 747 2HD LYS 99 2HD LYS 99 5.808 -12.847 -11.394 748 1HE LYS 99 1HE LYS 99 6.837 -15.137 -12.102 749 2HE LYS 99 2HE LYS 99 5.153 -15.647 -12.312 750 1HZ LYS 99 1HZ LYS 99 5.013 -13.480 -13.687 751 2HZ LYS 99 2HZ LYS 99 6.655 -13.549 -13.713 752 3HZ LYS 99 3HZ LYS 99 5.790 -14.786 -14.369 753 H SER 100 H SER 100 3.929 -15.730 -6.539 754 HA SER 100 HA SER 100 2.993 -18.419 -6.307 755 1HB SER 100 1HB SER 100 2.898 -17.719 -3.873 756 2HB SER 100 2HB SER 100 4.467 -17.599 -4.685 757 HG SER 100 HG SER 100 4.500 -15.629 -4.142 758 H THR 101 H THR 101 1.466 -15.231 -5.884 759 HA THR 101 HA THR 101 -1.062 -16.206 -5.040 760 HB THR 101 HB THR 101 -0.488 -13.593 -6.486 761 HG1 THR 101 HG1 THR 101 0.839 -13.520 -4.816 762 1HG2 THR 101 1HG2 THR 101 -2.892 -14.157 -6.139 763 2HG2 THR 101 2HG2 THR 101 -2.565 -14.317 -4.401 764 3HG2 THR 101 3HG2 THR 101 -2.356 -12.750 -5.212 765 HA PRO 102 HA PRO 102 -2.146 -17.644 -9.226 766 1HB PRO 102 1HB PRO 102 -4.548 -18.805 -8.692 767 2HB PRO 102 2HB PRO 102 -2.995 -19.564 -8.210 768 1HG PRO 102 1HG PRO 102 -4.919 -17.968 -6.512 769 2HG PRO 102 2HG PRO 102 -4.049 -19.475 -6.093 770 1HD PRO 102 1HD PRO 102 -3.215 -16.910 -5.390 771 2HD PRO 102 2HD PRO 102 -2.097 -18.288 -5.571 772 H ALA 103 H ALA 103 -3.172 -16.529 -10.778 773 HA ALA 103 HA ALA 103 -4.515 -14.122 -10.604 774 1HB ALA 103 1HB ALA 103 -4.646 -16.293 -12.745 775 2HB ALA 103 2HB ALA 103 -3.531 -14.916 -12.679 776 3HB ALA 103 3HB ALA 103 -5.265 -14.641 -12.920 777 H ASN 104 H ASN 104 -6.063 -14.015 -9.238 778 HA ASN 104 HA ASN 104 -8.273 -15.911 -8.957 779 1HB ASN 104 1HB ASN 104 -7.114 -14.474 -7.157 780 2HB ASN 104 2HB ASN 104 -8.059 -13.128 -7.717 781 1HD2 ASN 104 1HD2 ASN 104 -7.926 -15.492 -5.472 782 2HD2 ASN 104 2HD2 ASN 104 -9.656 -15.571 -5.109 783 H ASP 105 H ASP 105 -10.549 -15.354 -9.394 784 HA ASP 105 HA ASP 105 -11.063 -13.920 -11.711 785 1HB ASP 105 1HB ASP 105 -12.365 -15.850 -10.852 786 2HB ASP 105 2HB ASP 105 -13.034 -14.811 -9.592 787 H ASP 106 H ASP 106 -10.627 -12.928 -8.444 788 HA ASP 106 HA ASP 106 -11.981 -10.296 -8.932 789 1HB ASP 106 1HB ASP 106 -12.791 -11.810 -6.951 790 2HB ASP 106 2HB ASP 106 -11.272 -11.493 -6.262 791 H LYS 107 H LYS 107 -10.502 -8.738 -9.405 792 HA LYS 107 HA LYS 107 -7.703 -9.058 -8.899 793 1HB LYS 107 1HB LYS 107 -9.289 -7.301 -10.441 794 2HB LYS 107 2HB LYS 107 -8.589 -6.257 -9.236 795 1HG LYS 107 1HG LYS 107 -6.934 -6.200 -10.837 796 2HG LYS 107 2HG LYS 107 -6.316 -7.454 -9.775 797 1HD LYS 107 1HD LYS 107 -6.296 -8.867 -11.581 798 2HD LYS 107 2HD LYS 107 -8.043 -8.835 -11.535 799 1HE LYS 107 1HE LYS 107 -7.781 -8.078 -13.677 800 2HE LYS 107 2HE LYS 107 -7.772 -6.537 -12.794 801 1HZ LYS 107 1HZ LYS 107 -5.306 -6.669 -12.860 802 2HZ LYS 107 2HZ LYS 107 -5.384 -8.041 -13.727 803 3HZ LYS 107 3HZ LYS 107 -5.940 -6.610 -14.355 804 H CYS 108 H CYS 108 -10.379 -7.744 -6.912 805 HA CYS 108 HA CYS 108 -8.811 -6.314 -5.020 806 1HB CYS 108 1HB CYS 108 -11.222 -8.071 -4.422 807 2HB CYS 108 2HB CYS 108 -10.597 -6.751 -3.472 808 H ILE 109 H ILE 109 -9.931 -9.714 -5.054 809 HA ILE 109 HA ILE 109 -8.612 -10.489 -2.641 810 HB ILE 109 HB ILE 109 -9.945 -12.059 -4.912 811 1HG1 ILE 109 1HG1 ILE 109 -10.992 -11.190 -2.180 812 2HG1 ILE 109 2HG1 ILE 109 -11.434 -10.417 -3.668 813 1HG2 ILE 109 1HG2 ILE 109 -8.431 -13.503 -3.646 814 2HG2 ILE 109 2HG2 ILE 109 -9.210 -13.006 -2.121 815 3HG2 ILE 109 3HG2 ILE 109 -10.108 -13.917 -3.362 816 1HD1 ILE 109 1HD1 ILE 109 -12.287 -12.726 -4.481 817 2HD1 ILE 109 2HD1 ILE 109 -12.277 -13.138 -2.745 818 3HD1 ILE 109 3HD1 ILE 109 -13.238 -11.766 -3.344 819 H TRP 110 H TRP 110 -7.773 -10.893 -6.087 820 HA TRP 110 HA TRP 110 -5.344 -12.335 -5.733 821 1HB TRP 110 1HB TRP 110 -6.314 -11.925 -7.954 822 2HB TRP 110 2HB TRP 110 -6.086 -10.206 -7.778 823 HD1 TRP 110 HD1 TRP 110 -4.076 -13.439 -8.038 824 HE1 TRP 110 HE1 TRP 110 -1.838 -13.001 -9.280 825 HE3 TRP 110 HE3 TRP 110 -4.346 -8.352 -8.325 826 HZ2 TRP 110 HZ2 TRP 110 -0.338 -10.662 -10.177 827 HZ3 TRP 110 HZ3 TRP 110 -2.476 -7.038 -9.314 828 HH2 TRP 110 HH2 TRP 110 -0.536 -8.181 -10.277 829 H THR 111 H THR 111 -5.842 -8.734 -5.928 830 HA THR 111 HA THR 111 -3.218 -8.035 -5.348 831 HB THR 111 HB THR 111 -5.819 -6.552 -4.793 832 HG1 THR 111 HG1 THR 111 -5.788 -6.900 -6.856 833 1HG2 THR 111 1HG2 THR 111 -2.991 -5.617 -4.566 834 2HG2 THR 111 2HG2 THR 111 -4.078 -4.604 -5.547 835 3HG2 THR 111 3HG2 THR 111 -4.505 -4.948 -3.880 836 H LEU 112 H LEU 112 -5.904 -8.765 -2.945 837 HA LEU 112 HA LEU 112 -4.356 -8.108 -0.702 838 1HB LEU 112 1HB LEU 112 -6.786 -8.644 -0.817 839 2HB LEU 112 2HB LEU 112 -6.356 -10.341 -0.739 840 HG LEU 112 HG LEU 112 -5.532 -10.201 1.458 841 1HD1 LEU 112 1HD1 LEU 112 -5.230 -7.160 1.216 842 2HD1 LEU 112 2HD1 LEU 112 -5.099 -8.074 2.734 843 3HD1 LEU 112 3HD1 LEU 112 -3.925 -8.346 1.457 844 1HD2 LEU 112 1HD2 LEU 112 -7.904 -9.747 1.233 845 2HD2 LEU 112 2HD2 LEU 112 -7.279 -8.873 2.657 846 3HD2 LEU 112 3HD2 LEU 112 -7.578 -8.004 1.116 847 H GLY 113 H GLY 113 -4.630 -11.184 -2.506 848 1HA GLY 113 1HA GLY 113 -3.160 -12.935 -2.738 849 2HA GLY 113 2HA GLY 113 -2.915 -12.847 -0.984 850 H VAL 114 H VAL 114 -2.060 -10.695 -3.767 851 HA VAL 114 HA VAL 114 0.715 -11.014 -3.721 852 HB VAL 114 HB VAL 114 -0.954 -8.600 -4.513 853 1HG1 VAL 114 1HG1 VAL 114 1.414 -7.943 -4.265 854 2HG1 VAL 114 2HG1 VAL 114 1.904 -9.293 -5.321 855 3HG1 VAL 114 3HG1 VAL 114 0.921 -7.945 -5.958 856 1HG2 VAL 114 1HG2 VAL 114 0.138 -10.975 -6.086 857 2HG2 VAL 114 2HG2 VAL 114 -1.566 -10.595 -5.816 858 3HG2 VAL 114 3HG2 VAL 114 -0.603 -9.534 -6.824 859 H ALA 115 H ALA 115 -1.184 -8.405 -2.039 860 HA ALA 115 HA ALA 115 1.064 -7.392 -0.607 861 1HB ALA 115 1HB ALA 115 -1.012 -6.118 -1.022 862 2HB ALA 115 2HB ALA 115 -0.592 -6.146 0.698 863 3HB ALA 115 3HB ALA 115 -1.891 -7.191 0.101 864 H THR 116 H THR 116 -0.647 -10.337 0.039 865 HA THR 116 HA THR 116 0.022 -10.378 2.922 866 HB THR 116 HB THR 116 -0.937 -12.591 1.032 867 HG1 THR 116 HG1 THR 116 -2.405 -10.871 1.213 868 1HG2 THR 116 1HG2 THR 116 -0.977 -12.432 4.066 869 2HG2 THR 116 2HG2 THR 116 -1.659 -13.738 3.069 870 3HG2 THR 116 3HG2 THR 116 0.081 -13.479 3.096 871 H CYS 117 H CYS 117 1.050 -11.855 -0.180 872 HA CYS 117 HA CYS 117 3.285 -13.277 0.773 873 1HB CYS 117 1HB CYS 117 2.389 -13.735 -1.374 874 2HB CYS 117 2HB CYS 117 2.552 -12.075 -1.903 875 H PHE 118 H PHE 118 3.084 -9.755 -0.422 876 HA PHE 118 HA PHE 118 5.677 -9.178 -0.267 877 1HB PHE 118 1HB PHE 118 3.722 -7.700 -0.849 878 2HB PHE 118 2HB PHE 118 3.473 -7.394 0.846 879 HD1 PHE 118 HD1 PHE 118 6.921 -7.596 0.614 880 HD2 PHE 118 HD2 PHE 118 3.790 -5.053 -0.844 881 HE1 PHE 118 HE1 PHE 118 8.499 -5.825 0.373 882 HE2 PHE 118 HE2 PHE 118 5.394 -3.120 -0.763 883 HZ PHE 118 HZ PHE 118 7.691 -3.464 -0.146 884 H LYS 119 H LYS 119 3.583 -8.688 2.571 885 HA LYS 119 HA LYS 119 5.357 -8.091 4.503 886 1HB LYS 119 1HB LYS 119 2.654 -8.726 4.385 887 2HB LYS 119 2HB LYS 119 3.242 -10.060 5.279 888 1HG LYS 119 1HG LYS 119 4.579 -8.120 6.633 889 2HG LYS 119 2HG LYS 119 3.271 -7.123 6.017 890 1HD LYS 119 1HD LYS 119 1.619 -8.548 7.146 891 2HD LYS 119 2HD LYS 119 2.889 -9.666 7.687 892 1HE LYS 119 1HE LYS 119 2.789 -6.702 8.410 893 2HE LYS 119 2HE LYS 119 2.111 -7.977 9.429 894 1HZ LYS 119 1HZ LYS 119 4.977 -7.943 8.662 895 2HZ LYS 119 2HZ LYS 119 4.369 -7.232 10.022 896 3HZ LYS 119 3HZ LYS 119 4.256 -8.852 9.814 897 H ALA 120 H ALA 120 4.440 -11.350 3.513 898 HA ALA 120 HA ALA 120 5.936 -12.814 5.444 899 1HB ALA 120 1HB ALA 120 5.725 -14.735 3.950 900 2HB ALA 120 2HB ALA 120 4.192 -13.845 4.006 901 3HB ALA 120 3HB ALA 120 5.271 -13.693 2.598 902 H GLU 121 H GLU 121 6.965 -11.617 2.156 903 HA GLU 121 HA GLU 121 9.579 -12.794 2.420 904 1HB GLU 121 1HB GLU 121 8.555 -10.566 0.637 905 2HB GLU 121 2HB GLU 121 10.108 -11.370 0.443 906 1HG GLU 121 1HG GLU 121 7.381 -12.737 0.203 907 2HG GLU 121 2HG GLU 121 8.437 -12.291 -1.119 908 H ILE 122 H ILE 122 8.371 -9.442 3.152 909 HA ILE 122 HA ILE 122 10.860 -8.429 3.977 910 HB ILE 122 HB ILE 122 8.089 -7.945 5.101 911 1HG1 ILE 122 1HG1 ILE 122 9.666 -6.440 3.038 912 2HG1 ILE 122 2HG1 ILE 122 8.256 -7.428 2.753 913 1HG2 ILE 122 1HG2 ILE 122 9.793 -7.320 6.784 914 2HG2 ILE 122 2HG2 ILE 122 10.640 -6.354 5.560 915 3HG2 ILE 122 3HG2 ILE 122 9.006 -5.906 6.135 916 1HD1 ILE 122 1HD1 ILE 122 6.856 -5.958 4.178 917 2HD1 ILE 122 2HD1 ILE 122 8.233 -4.853 4.367 918 3HD1 ILE 122 3HD1 ILE 122 7.537 -5.118 2.780 919 H HIS 123 H HIS 123 8.797 -10.852 5.560 920 HA HIS 123 HA HIS 123 10.298 -10.882 8.030 921 1HB HIS 123 1HB HIS 123 7.870 -11.844 7.220 922 2HB HIS 123 2HB HIS 123 8.816 -13.326 7.173 923 HD1 HIS 123 HD1 HIS 123 10.053 -13.980 9.592 924 HD2 HIS 123 HD2 HIS 123 7.165 -10.905 9.604 925 HE1 HIS 123 HE1 HIS 123 9.316 -13.675 12.003 926 H LYS 124 H LYS 124 11.233 -11.876 4.960 927 HA LYS 124 HA LYS 124 13.262 -13.802 6.037 928 1HB LYS 124 1HB LYS 124 12.500 -13.267 3.129 929 2HB LYS 124 2HB LYS 124 13.706 -14.411 3.714 930 1HG LYS 124 1HG LYS 124 11.859 -15.648 4.934 931 2HG LYS 124 2HG LYS 124 10.692 -14.576 4.135 932 1HD LYS 124 1HD LYS 124 11.499 -15.353 1.915 933 2HD LYS 124 2HD LYS 124 12.716 -16.347 2.702 934 1HE LYS 124 1HE LYS 124 10.993 -17.809 2.029 935 2HE LYS 124 2HE LYS 124 10.897 -17.693 3.793 936 1HZ LYS 124 1HZ LYS 124 9.201 -16.120 1.943 937 2HZ LYS 124 2HZ LYS 124 8.751 -17.586 2.560 938 3HZ LYS 124 3HZ LYS 124 8.988 -16.303 3.562 939 H LEU 125 H LEU 125 12.812 -10.569 4.599 940 HA LEU 125 HA LEU 125 15.507 -10.125 3.842 941 1HB LEU 125 1HB LEU 125 13.218 -8.311 4.629 942 2HB LEU 125 2HB LEU 125 14.777 -7.620 4.428 943 HG LEU 125 HG LEU 125 13.502 -9.227 2.185 944 1HD1 LEU 125 1HD1 LEU 125 13.433 -6.216 2.724 945 2HD1 LEU 125 2HD1 LEU 125 13.009 -6.983 1.172 946 3HD1 LEU 125 3HD1 LEU 125 12.050 -7.313 2.609 947 1HD2 LEU 125 1HD2 LEU 125 15.857 -7.292 2.425 948 2HD2 LEU 125 2HD2 LEU 125 15.917 -9.011 1.976 949 3HD2 LEU 125 3HD2 LEU 125 15.196 -7.839 0.873 950 H ASN 126 H ASN 126 16.900 -8.677 4.769 951 HA ASN 126 HA ASN 126 17.660 -9.247 7.547 952 1HB ASN 126 1HB ASN 126 19.346 -9.112 5.710 953 2HB ASN 126 2HB ASN 126 18.890 -7.427 5.412 954 1HD2 ASN 126 1HD2 ASN 126 20.534 -6.070 6.156 955 2HD2 ASN 126 2HD2 ASN 126 21.383 -6.341 7.652 956 H TRP 127 H TRP 127 15.517 -7.033 6.218 957 HA TRP 127 HA TRP 127 15.719 -5.247 8.517 958 1HB TRP 127 1HB TRP 127 15.810 -3.231 7.155 959 2HB TRP 127 2HB TRP 127 17.227 -4.194 6.865 960 HD1 TRP 127 HD1 TRP 127 16.840 -5.887 4.503 961 HE1 TRP 127 HE1 TRP 127 15.744 -5.278 2.263 962 HE3 TRP 127 HE3 TRP 127 14.473 -1.560 5.890 963 HZ2 TRP 127 HZ2 TRP 127 13.992 -3.309 1.254 964 HZ3 TRP 127 HZ3 TRP 127 13.146 -0.281 4.239 965 HH2 TRP 127 HH2 TRP 127 12.905 -1.136 1.898 966 H ALA 128 H ALA 128 13.950 -3.649 8.353 967 HA ALA 128 HA ALA 128 11.477 -4.807 7.124 968 1HB ALA 128 1HB ALA 128 11.556 -5.639 9.356 969 2HB ALA 128 2HB ALA 128 11.852 -4.015 10.016 970 3HB ALA 128 3HB ALA 128 10.288 -4.402 9.248 971 HA PRO 129 HA PRO 129 11.474 -0.337 6.064 972 1HB PRO 129 1HB PRO 129 9.166 -0.799 4.360 973 2HB PRO 129 2HB PRO 129 10.832 -0.447 3.866 974 1HG PRO 129 1HG PRO 129 9.447 -2.932 3.601 975 2HG PRO 129 2HG PRO 129 11.175 -2.643 3.322 976 1HD PRO 129 1HD PRO 129 9.885 -3.918 5.615 977 2HD PRO 129 2HD PRO 129 11.587 -3.991 5.066 978 H SER 130 H SER 130 9.985 1.355 6.598 979 HA SER 130 HA SER 130 7.871 0.789 8.501 980 1HB SER 130 1HB SER 130 8.511 3.240 6.820 981 2HB SER 130 2HB SER 130 7.298 3.186 8.088 982 HG SER 130 HG SER 130 10.044 2.581 8.571 983 H MET 131 H MET 131 5.607 1.478 8.100 984 HA MET 131 HA MET 131 4.412 -0.040 6.036 985 1HB MET 131 1HB MET 131 3.402 2.067 7.991 986 2HB MET 131 2HB MET 131 2.366 1.336 6.788 987 1HG MET 131 1HG MET 131 1.963 -0.015 8.473 988 2HG MET 131 2HG MET 131 3.205 -0.956 7.707 989 1HE MET 131 1HE MET 131 5.371 -1.151 8.272 990 2HE MET 131 2HE MET 131 6.241 -0.534 9.704 991 3HE MET 131 3HE MET 131 5.271 -2.019 9.815 992 H ASP 132 H ASP 132 4.909 3.441 6.371 993 HA ASP 132 HA ASP 132 3.714 4.422 4.040 994 1HB ASP 132 1HB ASP 132 4.531 6.359 4.694 995 2HB ASP 132 2HB ASP 132 4.939 5.393 6.146 996 H VAL 133 H VAL 133 7.092 3.613 4.456 997 HA VAL 133 HA VAL 133 7.750 3.571 1.707 998 HB VAL 133 HB VAL 133 8.963 1.844 3.901 999 1HG1 VAL 133 1HG1 VAL 133 9.861 2.435 1.053 1000 2HG1 VAL 133 2HG1 VAL 133 10.930 1.762 2.313 1001 3HG1 VAL 133 3HG1 VAL 133 9.516 0.851 1.766 1002 1HG2 VAL 133 1HG2 VAL 133 9.189 4.307 4.261 1003 2HG2 VAL 133 2HG2 VAL 133 10.734 3.530 3.898 1004 3HG2 VAL 133 3HG2 VAL 133 9.897 4.474 2.649 1005 H ALA 134 H ALA 134 6.759 0.636 3.613 1006 HA ALA 134 HA ALA 134 7.067 -1.117 1.328 1007 1HB ALA 134 1HB ALA 134 7.164 -1.942 3.636 1008 2HB ALA 134 2HB ALA 134 5.866 -2.749 2.741 1009 3HB ALA 134 3HB ALA 134 5.479 -1.456 3.909 1010 H VAL 135 H VAL 135 4.036 0.244 2.777 1011 HA VAL 135 HA VAL 135 2.457 -0.889 0.644 1012 HB VAL 135 HB VAL 135 1.722 1.403 2.475 1013 1HG1 VAL 135 1HG1 VAL 135 0.183 1.103 0.566 1014 2HG1 VAL 135 2HG1 VAL 135 -0.007 -0.603 0.968 1015 3HG1 VAL 135 3HG1 VAL 135 -0.595 0.667 2.086 1016 1HG2 VAL 135 1HG2 VAL 135 1.459 -1.621 2.839 1017 2HG2 VAL 135 2HG2 VAL 135 2.371 -0.525 3.887 1018 3HG2 VAL 135 3HG2 VAL 135 0.621 -0.420 3.836 1019 H GLY 136 H GLY 136 4.309 2.167 1.061 1020 1HA GLY 136 1HA GLY 136 4.778 3.832 -0.374 1021 2HA GLY 136 2HA GLY 136 3.137 3.684 -0.955 1022 H GLU 137 H GLU 137 5.764 1.212 -1.100 1023 HA GLU 137 HA GLU 137 6.509 1.692 -3.794 1024 1HB GLU 137 1HB GLU 137 7.086 -0.566 -1.915 1025 2HB GLU 137 2HB GLU 137 7.787 -0.399 -3.523 1026 1HG GLU 137 1HG GLU 137 7.986 2.091 -1.867 1027 2HG GLU 137 2HG GLU 137 8.681 0.696 -1.151 1028 H ILE 138 H ILE 138 4.787 -1.085 -2.227 1029 HA ILE 138 HA ILE 138 4.178 -2.397 -4.646 1030 HB ILE 138 HB ILE 138 3.997 -3.516 -2.525 1031 1HG1 ILE 138 1HG1 ILE 138 1.273 -3.621 -3.861 1032 2HG1 ILE 138 2HG1 ILE 138 2.717 -4.427 -4.472 1033 1HG2 ILE 138 1HG2 ILE 138 2.954 -1.603 -1.268 1034 2HG2 ILE 138 2HG2 ILE 138 1.394 -2.001 -2.000 1035 3HG2 ILE 138 3HG2 ILE 138 2.202 -3.152 -0.908 1036 1HD1 ILE 138 1HD1 ILE 138 1.427 -5.051 -1.765 1037 2HD1 ILE 138 2HD1 ILE 138 1.168 -5.950 -3.255 1038 3HD1 ILE 138 3HD1 ILE 138 2.768 -5.941 -2.524 1039 H LEU 139 H LEU 139 2.467 0.310 -3.211 1040 HA LEU 139 HA LEU 139 0.173 0.149 -5.020 1041 1HB LEU 139 1HB LEU 139 1.363 2.294 -3.268 1042 2HB LEU 139 2HB LEU 139 0.013 2.601 -4.242 1043 HG LEU 139 HG LEU 139 0.152 0.602 -1.916 1044 1HD1 LEU 139 1HD1 LEU 139 -1.327 3.225 -2.352 1045 2HD1 LEU 139 2HD1 LEU 139 -1.672 2.090 -1.018 1046 3HD1 LEU 139 3HD1 LEU 139 -0.084 2.866 -1.140 1047 1HD2 LEU 139 1HD2 LEU 139 -2.209 1.104 -3.659 1048 2HD2 LEU 139 2HD2 LEU 139 -1.293 -0.415 -3.542 1049 3HD2 LEU 139 3HD2 LEU 139 -2.208 0.191 -2.166 1050 H ALA 140 H ALA 140 3.234 1.895 -4.948 1051 HA ALA 140 HA ALA 140 2.889 3.359 -7.376 1052 1HB ALA 140 1HB ALA 140 4.720 3.816 -5.783 1053 2HB ALA 140 2HB ALA 140 5.503 2.292 -6.254 1054 3HB ALA 140 3HB ALA 140 5.311 3.572 -7.433 1055 H GLU 141 H GLU 141 2.974 -0.050 -7.033 1056 HA GLU 141 HA GLU 141 3.932 -0.463 -9.804 1057 1HB GLU 141 1HB GLU 141 4.107 -2.009 -7.204 1058 2HB GLU 141 2HB GLU 141 4.402 -2.773 -8.744 1059 1HG GLU 141 1HG GLU 141 6.445 -1.704 -9.085 1060 2HG GLU 141 2HG GLU 141 5.869 -0.223 -8.396 1061 H VAL 142 H VAL 142 1.708 -1.976 -7.400 1062 HA VAL 142 HA VAL 142 0.783 -3.924 -9.150 1063 HB VAL 142 HB VAL 142 -0.040 -2.922 -6.463 1064 1HG1 VAL 142 1HG1 VAL 142 -1.659 -4.943 -8.043 1065 2HG1 VAL 142 2HG1 VAL 142 -1.638 -4.829 -6.273 1066 3HG1 VAL 142 3HG1 VAL 142 -2.226 -3.457 -7.215 1067 1HG2 VAL 142 1HG2 VAL 142 1.918 -4.351 -6.791 1068 2HG2 VAL 142 2HG2 VAL 142 0.675 -5.183 -5.849 1069 3HG2 VAL 142 3HG2 VAL 142 0.910 -5.595 -7.561 No H/Q in entry = 1069 Start of MODEL 19 1 H SER 1 H SER 1 15.910 2.510 26.727 2 HA SER 1 HA SER 1 13.474 2.843 26.644 3 1HB SER 1 1HB SER 1 14.262 5.155 24.834 4 2HB SER 1 2HB SER 1 12.609 4.679 25.273 5 HG SER 1 HG SER 1 12.968 5.306 27.360 6 H GLN 2 H GLN 2 12.406 3.071 23.954 7 HA GLN 2 HA GLN 2 14.194 1.473 22.244 8 1HB GLN 2 1HB GLN 2 11.173 1.179 22.559 9 2HB GLN 2 2HB GLN 2 12.208 0.268 21.479 10 1HG GLN 2 1HG GLN 2 13.385 -0.708 23.482 11 2HG GLN 2 2HG GLN 2 12.199 0.113 24.516 12 1HE2 GLN 2 1HE2 GLN 2 12.804 -2.895 23.417 13 2HE2 GLN 2 2HE2 GLN 2 11.207 -3.425 22.970 14 H GLU 3 H GLU 3 13.339 1.776 19.905 15 HA GLU 3 HA GLU 3 11.891 4.345 19.453 16 1HB GLU 3 1HB GLU 3 14.506 3.463 18.349 17 2HB GLU 3 2HB GLU 3 13.521 4.681 17.537 18 1HG GLU 3 1HG GLU 3 13.769 6.264 19.290 19 2HG GLU 3 2HG GLU 3 14.259 5.043 20.459 20 H VAL 4 H VAL 4 10.226 2.533 19.385 21 HA VAL 4 HA VAL 4 9.757 1.958 16.549 22 HB VAL 4 HB VAL 4 9.276 -0.201 18.606 23 1HG1 VAL 4 1HG1 VAL 4 7.822 -0.156 16.517 24 2HG1 VAL 4 2HG1 VAL 4 9.300 -0.362 15.556 25 3HG1 VAL 4 3HG1 VAL 4 8.792 -1.625 16.684 26 1HG2 VAL 4 1HG2 VAL 4 11.541 -0.118 16.582 27 2HG2 VAL 4 2HG2 VAL 4 11.683 -0.109 18.354 28 3HG2 VAL 4 3HG2 VAL 4 11.055 -1.540 17.540 29 H MET 5 H MET 5 8.751 4.083 17.412 30 HA MET 5 HA MET 5 6.018 3.483 18.390 31 1HB MET 5 1HB MET 5 6.008 5.514 19.627 32 2HB MET 5 2HB MET 5 7.454 4.606 20.055 33 1HG MET 5 1HG MET 5 8.770 6.061 18.473 34 2HG MET 5 2HG MET 5 7.308 7.036 18.237 35 1HE MET 5 1HE MET 5 9.881 8.356 18.953 36 2HE MET 5 2HE MET 5 8.441 9.383 19.146 37 3HE MET 5 3HE MET 5 9.658 9.292 20.442 38 H LYS 6 H LYS 6 7.466 3.876 15.730 39 HA LYS 6 HA LYS 6 6.334 6.006 14.311 40 1HB LYS 6 1HB LYS 6 6.668 4.609 12.285 41 2HB LYS 6 2HB LYS 6 8.074 4.858 13.292 42 1HG LYS 6 1HG LYS 6 7.539 2.657 14.391 43 2HG LYS 6 2HG LYS 6 6.314 2.372 13.151 44 1HD LYS 6 1HD LYS 6 7.965 2.145 11.437 45 2HD LYS 6 2HD LYS 6 9.218 2.917 12.444 46 1HE LYS 6 1HE LYS 6 9.034 1.057 14.085 47 2HE LYS 6 2HE LYS 6 7.871 0.241 13.025 48 1HZ LYS 6 1HZ LYS 6 10.666 0.872 12.298 49 2HZ LYS 6 2HZ LYS 6 10.128 -0.600 12.807 50 3HZ LYS 6 3HZ LYS 6 9.573 0.016 11.390 51 H ASN 7 H ASN 7 4.734 6.074 12.918 52 HA ASN 7 HA ASN 7 2.503 4.152 13.082 53 1HB ASN 7 1HB ASN 7 2.004 6.010 14.710 54 2HB ASN 7 2HB ASN 7 2.068 7.155 13.364 55 1HD2 ASN 7 1HD2 ASN 7 -0.230 7.568 14.286 56 2HD2 ASN 7 2HD2 ASN 7 -1.504 6.565 13.618 57 H LEU 8 H LEU 8 0.971 4.691 11.260 58 HA LEU 8 HA LEU 8 2.171 5.012 8.660 59 1HB LEU 8 1HB LEU 8 0.236 3.698 8.908 60 2HB LEU 8 2HB LEU 8 -0.619 4.907 9.842 61 HG LEU 8 HG LEU 8 -1.439 4.585 7.614 62 1HD1 LEU 8 1HD1 LEU 8 -1.626 6.812 8.889 63 2HD1 LEU 8 2HD1 LEU 8 -0.567 7.436 7.592 64 3HD1 LEU 8 3HD1 LEU 8 -2.116 6.702 7.190 65 1HD2 LEU 8 1HD2 LEU 8 1.311 4.980 6.727 66 2HD2 LEU 8 2HD2 LEU 8 -0.079 4.229 5.952 67 3HD2 LEU 8 3HD2 LEU 8 0.154 5.985 5.870 68 H SER 9 H SER 9 2.594 6.913 7.586 69 HA SER 9 HA SER 9 1.512 9.458 8.664 70 1HB SER 9 1HB SER 9 3.988 9.005 8.916 71 2HB SER 9 2HB SER 9 4.111 9.042 7.154 72 HG SER 9 HG SER 9 3.292 11.202 7.238 73 H LEU 10 H LEU 10 1.975 7.479 5.679 74 HA LEU 10 HA LEU 10 1.209 9.485 3.849 75 1HB LEU 10 1HB LEU 10 0.544 6.539 3.761 76 2HB LEU 10 2HB LEU 10 0.251 7.625 2.426 77 HG LEU 10 HG LEU 10 2.932 6.675 3.477 78 1HD1 LEU 10 1HD1 LEU 10 1.544 6.365 0.798 79 2HD1 LEU 10 2HD1 LEU 10 3.188 5.836 1.184 80 3HD1 LEU 10 3HD1 LEU 10 1.827 5.100 2.018 81 1HD2 LEU 10 1HD2 LEU 10 2.321 8.797 1.345 82 2HD2 LEU 10 2HD2 LEU 10 3.133 9.095 2.887 83 3HD2 LEU 10 3HD2 LEU 10 3.920 8.094 1.669 84 H ASN 11 H ASN 11 -0.808 10.130 2.848 85 HA ASN 11 HA ASN 11 -2.953 10.184 4.837 86 1HB ASN 11 1HB ASN 11 -2.221 12.167 3.466 87 2HB ASN 11 2HB ASN 11 -3.072 11.451 2.104 88 1HD2 ASN 11 1HD2 ASN 11 -3.778 13.961 3.347 89 2HD2 ASN 11 2HD2 ASN 11 -5.348 13.793 4.068 90 H PHE 12 H PHE 12 -2.992 7.667 4.466 91 HA PHE 12 HA PHE 12 -4.509 6.609 2.314 92 1HB PHE 12 1HB PHE 12 -3.975 5.766 5.168 93 2HB PHE 12 2HB PHE 12 -5.129 4.899 4.177 94 HD1 PHE 12 HD1 PHE 12 -4.420 3.686 2.116 95 HD2 PHE 12 HD2 PHE 12 -1.609 5.668 4.688 96 HE1 PHE 12 HE1 PHE 12 -2.545 2.466 1.025 97 HE2 PHE 12 HE2 PHE 12 0.285 4.459 3.546 98 HZ PHE 12 HZ PHE 12 -0.199 2.941 1.677 99 H GLY 13 H GLY 13 -5.548 8.220 5.349 100 1HA GLY 13 1HA GLY 13 -7.562 9.216 5.862 101 2HA GLY 13 2HA GLY 13 -8.212 7.631 5.427 102 H LYS 14 H LYS 14 -6.945 10.530 3.665 103 HA LYS 14 HA LYS 14 -9.462 11.181 2.495 104 1HB LYS 14 1HB LYS 14 -6.588 11.937 2.025 105 2HB LYS 14 2HB LYS 14 -7.764 12.392 0.822 106 1HG LYS 14 1HG LYS 14 -8.289 12.984 3.754 107 2HG LYS 14 2HG LYS 14 -7.242 14.046 2.820 108 1HD LYS 14 1HD LYS 14 -9.951 13.345 1.652 109 2HD LYS 14 2HD LYS 14 -9.860 14.501 3.006 110 1HE LYS 14 1HE LYS 14 -8.132 15.804 1.721 111 2HE LYS 14 2HE LYS 14 -8.383 14.720 0.350 112 1HZ LYS 14 1HZ LYS 14 -10.717 15.455 0.321 113 2HZ LYS 14 2HZ LYS 14 -10.417 16.545 1.503 114 3HZ LYS 14 3HZ LYS 14 -9.647 16.671 0.065 115 H ALA 15 H ALA 15 -6.655 9.496 1.112 116 HA ALA 15 HA ALA 15 -7.713 9.073 -1.489 117 1HB ALA 15 1HB ALA 15 -5.799 7.285 0.096 118 2HB ALA 15 2HB ALA 15 -5.961 7.401 -1.672 119 3HB ALA 15 3HB ALA 15 -5.326 8.768 -0.747 120 H LEU 16 H LEU 16 -8.004 6.958 1.458 121 HA LEU 16 HA LEU 16 -9.512 4.829 0.255 122 1HB LEU 16 1HB LEU 16 -9.309 5.895 3.091 123 2HB LEU 16 2HB LEU 16 -10.376 4.575 2.673 124 HG LEU 16 HG LEU 16 -7.365 4.470 2.223 125 1HD1 LEU 16 1HD1 LEU 16 -7.971 4.642 4.620 126 2HD1 LEU 16 2HD1 LEU 16 -9.076 3.253 4.434 127 3HD1 LEU 16 3HD1 LEU 16 -7.333 3.028 4.207 128 1HD2 LEU 16 1HD2 LEU 16 -9.501 2.289 2.146 129 2HD2 LEU 16 2HD2 LEU 16 -8.552 2.882 0.773 130 3HD2 LEU 16 3HD2 LEU 16 -7.757 2.030 2.121 131 H ASP 17 H ASP 17 -10.427 7.898 1.844 132 HA ASP 17 HA ASP 17 -13.196 7.482 1.840 133 1HB ASP 17 1HB ASP 17 -11.562 9.456 2.737 134 2HB ASP 17 2HB ASP 17 -12.128 10.259 1.298 135 H GLU 18 H GLU 18 -11.055 8.244 -0.832 136 HA GLU 18 HA GLU 18 -13.375 8.855 -2.578 137 1HB GLU 18 1HB GLU 18 -10.370 8.971 -3.050 138 2HB GLU 18 2HB GLU 18 -11.624 9.338 -4.231 139 1HG GLU 18 1HG GLU 18 -12.538 10.903 -2.207 140 2HG GLU 18 2HG GLU 18 -10.831 10.855 -1.799 141 H CYS 19 H CYS 19 -10.921 6.325 -1.969 142 HA CYS 19 HA CYS 19 -11.643 4.788 -4.175 143 1HB CYS 19 1HB CYS 19 -10.153 4.283 -1.600 144 2HB CYS 19 2HB CYS 19 -10.587 2.926 -2.589 145 H LYS 20 H LYS 20 -13.365 4.836 -1.001 146 HA LYS 20 HA LYS 20 -14.578 2.387 -1.686 147 1HB LYS 20 1HB LYS 20 -15.047 2.499 0.533 148 2HB LYS 20 2HB LYS 20 -13.803 3.742 0.623 149 1HG LYS 20 1HG LYS 20 -16.611 4.251 0.073 150 2HG LYS 20 2HG LYS 20 -15.959 4.193 1.723 151 1HD LYS 20 1HD LYS 20 -14.557 6.139 0.157 152 2HD LYS 20 2HD LYS 20 -16.294 6.341 -0.198 153 1HE LYS 20 1HE LYS 20 -14.939 6.288 2.549 154 2HE LYS 20 2HE LYS 20 -15.575 7.734 1.757 155 1HZ LYS 20 1HZ LYS 20 -17.211 5.415 2.674 156 2HZ LYS 20 2HZ LYS 20 -17.067 6.848 3.440 157 3HZ LYS 20 3HZ LYS 20 -17.792 6.769 1.965 158 H LYS 21 H LYS 21 -14.759 5.747 -2.677 159 HA LYS 21 HA LYS 21 -17.611 5.704 -3.052 160 1HB LYS 21 1HB LYS 21 -15.595 7.668 -4.197 161 2HB LYS 21 2HB LYS 21 -17.350 7.789 -4.348 162 1HG LYS 21 1HG LYS 21 -17.553 7.706 -1.866 163 2HG LYS 21 2HG LYS 21 -15.792 7.685 -1.769 164 1HD LYS 21 1HD LYS 21 -15.628 9.918 -2.671 165 2HD LYS 21 2HD LYS 21 -17.381 9.989 -2.928 166 1HE LYS 21 1HE LYS 21 -16.113 9.429 -0.198 167 2HE LYS 21 2HE LYS 21 -16.455 11.080 -0.756 168 1HZ LYS 21 1HZ LYS 21 -18.784 10.446 -0.928 169 2HZ LYS 21 2HZ LYS 21 -18.444 8.931 -0.344 170 3HZ LYS 21 3HZ LYS 21 -18.243 10.216 0.611 171 H GLU 22 H GLU 22 -14.690 4.960 -4.925 172 HA GLU 22 HA GLU 22 -15.621 4.780 -7.535 173 1HB GLU 22 1HB GLU 22 -13.620 3.050 -6.052 174 2HB GLU 22 2HB GLU 22 -13.938 2.937 -7.764 175 1HG GLU 22 1HG GLU 22 -13.463 5.723 -7.030 176 2HG GLU 22 2HG GLU 22 -12.161 4.703 -6.434 177 H MET 23 H MET 23 -15.408 2.082 -5.211 178 HA MET 23 HA MET 23 -17.232 0.502 -6.895 179 1HB MET 23 1HB MET 23 -15.853 -0.938 -4.749 180 2HB MET 23 2HB MET 23 -16.000 -1.276 -6.416 181 1HG MET 23 1HG MET 23 -14.199 0.656 -6.702 182 2HG MET 23 2HG MET 23 -13.868 0.314 -5.011 183 1HE MET 23 1HE MET 23 -11.954 0.408 -7.303 184 2HE MET 23 2HE MET 23 -11.183 -0.348 -5.886 185 3HE MET 23 3HE MET 23 -11.059 -1.103 -7.490 186 H THR 24 H THR 24 -17.942 2.558 -4.745 187 HA THR 24 HA THR 24 -19.119 2.922 -2.902 188 HB THR 24 HB THR 24 -20.615 2.323 -4.927 189 HG1 THR 24 HG1 THR 24 -21.501 3.722 -3.779 190 1HG2 THR 24 1HG2 THR 24 -20.698 -0.150 -4.182 191 2HG2 THR 24 2HG2 THR 24 -21.869 0.392 -2.986 192 3HG2 THR 24 3HG2 THR 24 -22.208 0.642 -4.714 193 H LEU 25 H LEU 25 -17.094 1.097 -2.505 194 HA LEU 25 HA LEU 25 -17.696 -1.204 -0.939 195 1HB LEU 25 1HB LEU 25 -15.254 0.453 -0.277 196 2HB LEU 25 2HB LEU 25 -15.471 -1.243 -0.086 197 HG LEU 25 HG LEU 25 -15.391 -0.082 -2.893 198 1HD1 LEU 25 1HD1 LEU 25 -13.306 0.642 -1.751 199 2HD1 LEU 25 2HD1 LEU 25 -12.984 -1.041 -1.309 200 3HD1 LEU 25 3HD1 LEU 25 -13.006 -0.549 -3.012 201 1HD2 LEU 25 1HD2 LEU 25 -16.130 -2.436 -2.615 202 2HD2 LEU 25 2HD2 LEU 25 -14.544 -2.346 -3.438 203 3HD2 LEU 25 3HD2 LEU 25 -14.616 -2.807 -1.730 204 H THR 26 H THR 26 -16.945 -1.318 1.519 205 HA THR 26 HA THR 26 -19.097 0.110 2.770 206 HB THR 26 HB THR 26 -18.349 -1.435 4.725 207 HG1 THR 26 HG1 THR 26 -16.209 -1.846 3.840 208 1HG2 THR 26 1HG2 THR 26 -20.226 -1.945 3.164 209 2HG2 THR 26 2HG2 THR 26 -19.076 -2.671 2.027 210 3HG2 THR 26 3HG2 THR 26 -19.332 -3.414 3.605 211 H ASP 27 H ASP 27 -18.939 1.133 4.954 212 HA ASP 27 HA ASP 27 -16.890 3.139 5.060 213 1HB ASP 27 1HB ASP 27 -19.295 3.301 5.864 214 2HB ASP 27 2HB ASP 27 -18.831 2.332 7.266 215 H ALA 28 H ALA 28 -17.311 0.064 6.584 216 HA ALA 28 HA ALA 28 -15.450 0.202 8.736 217 1HB ALA 28 1HB ALA 28 -17.415 -1.287 8.551 218 2HB ALA 28 2HB ALA 28 -15.930 -2.169 8.925 219 3HB ALA 28 3HB ALA 28 -16.589 -2.211 7.273 220 H ILE 29 H ILE 29 -14.238 0.991 6.131 221 HA ILE 29 HA ILE 29 -12.126 -1.099 5.694 222 HB ILE 29 HB ILE 29 -11.928 -0.347 3.499 223 1HG1 ILE 29 1HG1 ILE 29 -13.634 1.251 2.480 224 2HG1 ILE 29 2HG1 ILE 29 -13.989 1.793 4.142 225 1HG2 ILE 29 1HG2 ILE 29 -13.547 -2.083 3.881 226 2HG2 ILE 29 2HG2 ILE 29 -14.830 -0.874 4.154 227 3HG2 ILE 29 3HG2 ILE 29 -14.088 -1.029 2.554 228 1HD1 ILE 29 1HD1 ILE 29 -11.138 1.681 3.350 229 2HD1 ILE 29 2HD1 ILE 29 -12.141 2.983 2.625 230 3HD1 ILE 29 3HD1 ILE 29 -11.982 2.833 4.387 231 H ASN 30 H ASN 30 -12.533 1.872 7.213 232 HA ASN 30 HA ASN 30 -9.777 2.730 6.603 233 1HB ASN 30 1HB ASN 30 -11.464 4.434 7.252 234 2HB ASN 30 2HB ASN 30 -11.675 3.626 8.813 235 1HD2 ASN 30 1HD2 ASN 30 -9.192 5.201 6.752 236 2HD2 ASN 30 2HD2 ASN 30 -8.298 5.815 8.121 237 H GLU 31 H GLU 31 -11.552 1.461 9.459 238 HA GLU 31 HA GLU 31 -9.114 1.151 10.937 239 1HB GLU 31 1HB GLU 31 -11.920 -0.032 11.264 240 2HB GLU 31 2HB GLU 31 -10.642 -0.363 12.427 241 1HG GLU 31 1HG GLU 31 -11.422 2.499 11.795 242 2HG GLU 31 2HG GLU 31 -12.406 1.516 12.873 243 H ASP 32 H ASP 32 -11.113 -1.201 9.164 244 HA ASP 32 HA ASP 32 -9.733 -3.602 9.739 245 1HB ASP 32 1HB ASP 32 -11.856 -3.751 8.729 246 2HB ASP 32 2HB ASP 32 -11.427 -2.574 7.483 247 H PHE 33 H PHE 33 -9.224 -1.240 7.086 248 HA PHE 33 HA PHE 33 -7.153 -2.745 5.810 249 1HB PHE 33 1HB PHE 33 -8.528 -0.950 4.785 250 2HB PHE 33 2HB PHE 33 -7.717 0.251 5.792 251 HD1 PHE 33 HD1 PHE 33 -7.862 -0.855 2.570 252 HD2 PHE 33 HD2 PHE 33 -4.922 -0.013 5.612 253 HE1 PHE 33 HE1 PHE 33 -6.157 -0.375 0.831 254 HE2 PHE 33 HE2 PHE 33 -3.193 0.230 3.819 255 HZ PHE 33 HZ PHE 33 -3.775 0.254 1.584 256 H TYR 34 H TYR 34 -7.124 -0.036 8.173 257 HA TYR 34 HA TYR 34 -4.292 0.154 8.331 258 1HB TYR 34 1HB TYR 34 -6.605 0.997 10.123 259 2HB TYR 34 2HB TYR 34 -4.956 1.180 10.652 260 HD1 TYR 34 HD1 TYR 34 -4.481 3.489 10.654 261 HD2 TYR 34 HD2 TYR 34 -6.583 1.831 7.297 262 HE1 TYR 34 HE1 TYR 34 -4.430 5.697 9.527 263 HE2 TYR 34 HE2 TYR 34 -6.475 3.961 6.126 264 HH TYR 34 HH TYR 34 -6.279 6.786 7.559 265 H ASN 35 H ASN 35 -6.680 -1.891 9.920 266 HA ASN 35 HA ASN 35 -5.026 -3.055 11.972 267 1HB ASN 35 1HB ASN 35 -7.657 -3.962 10.733 268 2HB ASN 35 2HB ASN 35 -6.784 -4.945 11.891 269 1HD2 ASN 35 1HD2 ASN 35 -9.507 -3.245 12.045 270 2HD2 ASN 35 2HD2 ASN 35 -9.210 -2.381 13.542 271 H PHE 36 H PHE 36 -5.497 -3.905 8.515 272 HA PHE 36 HA PHE 36 -4.468 -6.513 8.642 273 1HB PHE 36 1HB PHE 36 -5.381 -5.526 6.574 274 2HB PHE 36 2HB PHE 36 -4.076 -4.350 6.526 275 HD1 PHE 36 HD1 PHE 36 -5.061 -7.706 5.540 276 HD2 PHE 36 HD2 PHE 36 -1.698 -5.045 6.002 277 HE1 PHE 36 HE1 PHE 36 -3.672 -9.202 4.142 278 HE2 PHE 36 HE2 PHE 36 -0.341 -6.506 4.561 279 HZ PHE 36 HZ PHE 36 -1.315 -8.601 3.636 280 H TRP 37 H TRP 37 -2.776 -3.373 8.715 281 HA TRP 37 HA TRP 37 -0.121 -4.300 8.294 282 1HB TRP 37 1HB TRP 37 -0.977 -1.892 9.943 283 2HB TRP 37 2HB TRP 37 0.522 -2.091 9.069 284 HD1 TRP 37 HD1 TRP 37 -1.033 -2.993 6.259 285 HE1 TRP 37 HE1 TRP 37 -2.061 -1.212 4.866 286 HE3 TRP 37 HE3 TRP 37 -1.271 0.639 9.835 287 HZ2 TRP 37 HZ2 TRP 37 -3.200 1.531 5.349 288 HZ3 TRP 37 HZ3 TRP 37 -2.267 2.849 9.321 289 HH2 TRP 37 HH2 TRP 37 -3.248 3.285 7.075 290 H LYS 38 H LYS 38 -2.118 -4.076 11.170 291 HA LYS 38 HA LYS 38 -0.074 -4.077 13.180 292 1HB LYS 38 1HB LYS 38 -2.996 -4.945 13.133 293 2HB LYS 38 2HB LYS 38 -2.020 -4.977 14.574 294 1HG LYS 38 1HG LYS 38 -1.595 -2.570 14.398 295 2HG LYS 38 2HG LYS 38 -2.565 -2.483 12.920 296 1HD LYS 38 1HD LYS 38 -4.530 -2.628 14.023 297 2HD LYS 38 2HD LYS 38 -3.943 -3.794 15.193 298 1HE LYS 38 1HE LYS 38 -2.594 -1.615 16.056 299 2HE LYS 38 2HE LYS 38 -3.962 -0.799 15.277 300 1HZ LYS 38 1HZ LYS 38 -5.423 -2.225 16.653 301 2HZ LYS 38 2HZ LYS 38 -4.097 -2.812 17.445 302 3HZ LYS 38 3HZ LYS 38 -4.538 -1.216 17.537 303 H GLU 39 H GLU 39 1.312 -5.781 13.722 304 HA GLU 39 HA GLU 39 1.215 -8.150 12.239 305 1HB GLU 39 1HB GLU 39 2.562 -7.527 14.894 306 2HB GLU 39 2HB GLU 39 2.714 -9.077 14.063 307 1HG GLU 39 1HG GLU 39 4.479 -8.141 13.080 308 2HG GLU 39 2HG GLU 39 3.269 -7.523 11.966 309 H GLY 40 H GLY 40 0.772 -10.212 12.742 310 1HA GLY 40 1HA GLY 40 -0.990 -10.998 14.966 311 2HA GLY 40 2HA GLY 40 -0.282 -12.052 13.739 312 H TYR 41 H TYR 41 -2.172 -9.100 13.216 313 HA TYR 41 HA TYR 41 -4.772 -10.077 12.905 314 1HB TYR 41 1HB TYR 41 -3.297 -7.639 12.389 315 2HB TYR 41 2HB TYR 41 -4.478 -7.905 11.157 316 HD1 TYR 41 HD1 TYR 41 -3.932 -6.495 14.319 317 HD2 TYR 41 HD2 TYR 41 -6.849 -8.788 12.168 318 HE1 TYR 41 HE1 TYR 41 -5.694 -5.447 15.648 319 HE2 TYR 41 HE2 TYR 41 -8.660 -7.728 13.418 320 HH TYR 41 HH TYR 41 -8.013 -5.592 16.227 321 H GLU 42 H GLU 42 -5.241 -11.843 11.753 322 HA GLU 42 HA GLU 42 -4.168 -12.268 9.104 323 1HB GLU 42 1HB GLU 42 -4.822 -13.890 11.197 324 2HB GLU 42 2HB GLU 42 -6.273 -14.099 10.207 325 1HG GLU 42 1HG GLU 42 -4.824 -14.675 8.291 326 2HG GLU 42 2HG GLU 42 -3.388 -14.335 9.257 327 H ILE 43 H ILE 43 -5.224 -10.018 8.683 328 HA ILE 43 HA ILE 43 -8.060 -9.894 8.155 329 HB ILE 43 HB ILE 43 -5.831 -7.993 7.582 330 1HG1 ILE 43 1HG1 ILE 43 -6.169 -8.199 9.899 331 2HG1 ILE 43 2HG1 ILE 43 -7.015 -6.757 9.430 332 1HG2 ILE 43 1HG2 ILE 43 -8.832 -7.645 7.165 333 2HG2 ILE 43 2HG2 ILE 43 -7.705 -6.298 7.352 334 3HG2 ILE 43 3HG2 ILE 43 -7.519 -7.387 5.993 335 1HD1 ILE 43 1HD1 ILE 43 -9.157 -8.177 9.408 336 2HD1 ILE 43 2HD1 ILE 43 -8.162 -9.313 10.386 337 3HD1 ILE 43 3HD1 ILE 43 -8.433 -7.647 10.929 338 H LYS 44 H LYS 44 -8.668 -11.479 6.669 339 HA LYS 44 HA LYS 44 -7.170 -11.651 4.085 340 1HB LYS 44 1HB LYS 44 -8.724 -13.690 5.610 341 2HB LYS 44 2HB LYS 44 -8.133 -13.954 3.968 342 1HG LYS 44 1HG LYS 44 -5.830 -13.677 4.550 343 2HG LYS 44 2HG LYS 44 -6.214 -13.161 6.193 344 1HD LYS 44 1HD LYS 44 -6.759 -15.928 5.043 345 2HD LYS 44 2HD LYS 44 -5.456 -15.487 6.177 346 1HE LYS 44 1HE LYS 44 -7.307 -14.542 7.696 347 2HE LYS 44 2HE LYS 44 -8.465 -15.314 6.618 348 1HZ LYS 44 1HZ LYS 44 -7.266 -17.449 7.116 349 2HZ LYS 44 2HZ LYS 44 -6.479 -16.667 8.324 350 3HZ LYS 44 3HZ LYS 44 -8.098 -16.787 8.369 351 H ASN 45 H ASN 45 -9.849 -10.119 5.100 352 HA ASN 45 HA ASN 45 -11.873 -11.111 3.343 353 1HB ASN 45 1HB ASN 45 -12.231 -9.648 5.399 354 2HB ASN 45 2HB ASN 45 -11.616 -8.290 4.433 355 1HD2 ASN 45 1HD2 ASN 45 -13.587 -7.123 4.245 356 2HD2 ASN 45 2HD2 ASN 45 -14.764 -7.727 3.058 357 H ARG 46 H ARG 46 -12.905 -9.441 1.685 358 HA ARG 46 HA ARG 46 -11.032 -9.339 -0.506 359 1HB ARG 46 1HB ARG 46 -13.747 -8.087 -0.681 360 2HB ARG 46 2HB ARG 46 -12.816 -8.886 -1.899 361 1HG ARG 46 1HG ARG 46 -13.448 -11.045 -1.125 362 2HG ARG 46 2HG ARG 46 -13.991 -10.440 0.441 363 1HD ARG 46 1HD ARG 46 -15.929 -9.527 -0.327 364 2HD ARG 46 2HD ARG 46 -15.237 -9.146 -1.918 365 HE ARG 46 HE ARG 46 -15.747 -11.090 -2.844 366 1HH1 ARG 46 1HH1 ARG 46 -16.552 -13.239 -2.987 367 2HH1 ARG 46 2HH1 ARG 46 -17.469 -13.895 -1.663 368 1HH2 ARG 46 1HH2 ARG 46 -16.915 -11.169 0.511 369 2HH2 ARG 46 2HH2 ARG 46 -17.623 -12.745 0.337 370 H GLU 47 H GLU 47 -13.137 -6.917 1.082 371 HA GLU 47 HA GLU 47 -12.735 -4.858 -0.595 372 1HB GLU 47 1HB GLU 47 -13.348 -4.641 2.372 373 2HB GLU 47 2HB GLU 47 -13.506 -3.340 1.190 374 1HG GLU 47 1HG GLU 47 -15.635 -4.061 1.151 375 2HG GLU 47 2HG GLU 47 -15.009 -5.052 -0.144 376 H THR 48 H THR 48 -10.476 -5.622 2.054 377 HA THR 48 HA THR 48 -8.868 -3.398 2.116 378 HB THR 48 HB THR 48 -7.761 -6.209 2.083 379 HG1 THR 48 HG1 THR 48 -8.753 -6.786 3.877 380 1HG2 THR 48 1HG2 THR 48 -6.304 -4.328 2.782 381 2HG2 THR 48 2HG2 THR 48 -7.479 -3.907 4.046 382 3HG2 THR 48 3HG2 THR 48 -6.603 -5.451 4.129 383 H GLY 49 H GLY 49 -8.784 -6.177 -0.167 384 1HA GLY 49 1HA GLY 49 -7.689 -6.543 -2.122 385 2HA GLY 49 2HA GLY 49 -6.448 -5.366 -1.650 386 H CYS 50 H CYS 50 -9.995 -5.126 -2.241 387 HA CYS 50 HA CYS 50 -10.049 -3.740 -4.603 388 1HB CYS 50 1HB CYS 50 -11.779 -3.236 -2.171 389 2HB CYS 50 2HB CYS 50 -12.216 -2.885 -3.797 390 H ALA 51 H ALA 51 -9.900 -2.336 -1.284 391 HA ALA 51 HA ALA 51 -9.519 0.332 -2.091 392 1HB ALA 51 1HB ALA 51 -8.258 0.573 0.146 393 2HB ALA 51 2HB ALA 51 -9.917 0.018 0.244 394 3HB ALA 51 3HB ALA 51 -8.598 -1.144 0.412 395 H ILE 52 H ILE 52 -6.888 -2.062 -1.280 396 HA ILE 52 HA ILE 52 -4.701 -0.448 -1.868 397 HB ILE 52 HB ILE 52 -5.170 -3.406 -2.200 398 1HG1 ILE 52 1HG1 ILE 52 -3.612 -1.879 -0.070 399 2HG1 ILE 52 2HG1 ILE 52 -5.292 -2.318 0.110 400 1HG2 ILE 52 1HG2 ILE 52 -3.214 -2.675 -3.641 401 2HG2 ILE 52 2HG2 ILE 52 -2.454 -2.030 -2.173 402 3HG2 ILE 52 3HG2 ILE 52 -2.799 -3.761 -2.329 403 1HD1 ILE 52 1HD1 ILE 52 -4.725 -4.722 -0.170 404 2HD1 ILE 52 2HD1 ILE 52 -3.003 -4.270 -0.151 405 3HD1 ILE 52 3HD1 ILE 52 -4.016 -3.953 1.262 406 H MET 53 H MET 53 -6.523 -2.525 -4.143 407 HA MET 53 HA MET 53 -5.068 -1.997 -6.477 408 1HB MET 53 1HB MET 53 -6.575 -3.899 -6.011 409 2HB MET 53 2HB MET 53 -7.941 -2.843 -5.941 410 1HG MET 53 1HG MET 53 -6.357 -2.765 -8.463 411 2HG MET 53 2HG MET 53 -7.068 -4.318 -8.051 412 1HE MET 53 1HE MET 53 -9.643 -4.548 -7.348 413 2HE MET 53 2HE MET 53 -10.059 -2.970 -6.606 414 3HE MET 53 3HE MET 53 -10.938 -3.535 -8.031 415 H CYS 54 H CYS 54 -7.775 -0.167 -5.033 416 HA CYS 54 HA CYS 54 -7.959 1.683 -7.322 417 1HB CYS 54 1HB CYS 54 -9.936 1.367 -6.095 418 2HB CYS 54 2HB CYS 54 -9.136 1.531 -4.532 419 H LEU 55 H LEU 55 -6.491 1.595 -4.074 420 HA LEU 55 HA LEU 55 -5.545 4.239 -4.036 421 1HB LEU 55 1HB LEU 55 -4.651 1.705 -2.632 422 2HB LEU 55 2HB LEU 55 -3.825 3.222 -2.359 423 HG LEU 55 HG LEU 55 -6.821 2.891 -1.896 424 1HD1 LEU 55 1HD1 LEU 55 -4.454 2.705 -0.009 425 2HD1 LEU 55 2HD1 LEU 55 -6.147 2.806 0.512 426 3HD1 LEU 55 3HD1 LEU 55 -5.582 1.407 -0.422 427 1HD2 LEU 55 1HD2 LEU 55 -4.790 5.032 -1.177 428 2HD2 LEU 55 2HD2 LEU 55 -6.149 5.178 -2.306 429 3HD2 LEU 55 3HD2 LEU 55 -6.466 4.967 -0.567 430 H SER 56 H SER 56 -4.190 1.486 -5.769 431 HA SER 56 HA SER 56 -1.600 2.600 -6.007 432 1HB SER 56 1HB SER 56 -1.214 0.780 -7.477 433 2HB SER 56 2HB SER 56 -2.185 0.232 -6.165 434 HG SER 56 HG SER 56 -2.641 -0.376 -8.409 435 H THR 57 H THR 57 -4.485 3.864 -7.193 436 HA THR 57 HA THR 57 -2.917 5.494 -9.111 437 HB THR 57 HB THR 57 -4.453 4.057 -10.313 438 HG1 THR 57 HG1 THR 57 -4.238 5.553 -11.639 439 1HG2 THR 57 1HG2 THR 57 -6.615 5.680 -8.942 440 2HG2 THR 57 2HG2 THR 57 -6.844 4.792 -10.459 441 3HG2 THR 57 3HG2 THR 57 -6.418 3.913 -8.984 442 H LYS 58 H LYS 58 -3.461 5.631 -6.173 443 HA LYS 58 HA LYS 58 -4.528 8.428 -6.045 444 1HB LYS 58 1HB LYS 58 -4.683 6.236 -3.948 445 2HB LYS 58 2HB LYS 58 -5.278 7.869 -3.752 446 1HG LYS 58 1HG LYS 58 -6.382 6.223 -6.029 447 2HG LYS 58 2HG LYS 58 -6.977 5.957 -4.391 448 1HD LYS 58 1HD LYS 58 -7.644 8.221 -4.140 449 2HD LYS 58 2HD LYS 58 -7.045 8.596 -5.754 450 1HE LYS 58 1HE LYS 58 -9.174 6.511 -5.053 451 2HE LYS 58 2HE LYS 58 -9.477 8.125 -5.648 452 1HZ LYS 58 1HZ LYS 58 -8.171 7.398 -7.708 453 2HZ LYS 58 2HZ LYS 58 -8.380 5.848 -7.184 454 3HZ LYS 58 3HZ LYS 58 -9.660 6.805 -7.489 455 H LEU 59 H LEU 59 -1.675 7.167 -6.357 456 HA LEU 59 HA LEU 59 -0.200 7.497 -3.960 457 1HB LEU 59 1HB LEU 59 0.836 8.299 -6.702 458 2HB LEU 59 2HB LEU 59 1.732 7.572 -5.381 459 HG LEU 59 HG LEU 59 -0.352 6.198 -7.124 460 1HD1 LEU 59 1HD1 LEU 59 1.716 6.766 -8.361 461 2HD1 LEU 59 2HD1 LEU 59 2.666 5.839 -7.183 462 3HD1 LEU 59 3HD1 LEU 59 1.466 5.029 -8.217 463 1HD2 LEU 59 1HD2 LEU 59 -0.213 5.215 -4.834 464 2HD2 LEU 59 2HD2 LEU 59 0.279 4.132 -6.134 465 3HD2 LEU 59 3HD2 LEU 59 1.515 4.898 -5.122 466 H ASN 60 H ASN 60 -1.321 9.857 -6.327 467 HA ASN 60 HA ASN 60 0.109 12.129 -5.333 468 1HB ASN 60 1HB ASN 60 -1.327 13.377 -6.838 469 2HB ASN 60 2HB ASN 60 -0.877 11.883 -7.655 470 1HD2 ASN 60 1HD2 ASN 60 -2.606 10.051 -7.711 471 2HD2 ASN 60 2HD2 ASN 60 -4.262 10.545 -7.412 472 H MET 61 H MET 61 -2.638 10.468 -4.096 473 HA MET 61 HA MET 61 -3.754 12.766 -2.605 474 1HB MET 61 1HB MET 61 -4.551 9.828 -2.806 475 2HB MET 61 2HB MET 61 -5.308 10.974 -1.746 476 1HG MET 61 1HG MET 61 -5.063 11.390 -4.754 477 2HG MET 61 2HG MET 61 -6.451 10.612 -3.986 478 1HE MET 61 1HE MET 61 -7.975 11.619 -2.255 479 2HE MET 61 2HE MET 61 -6.787 12.435 -1.196 480 3HE MET 61 3HE MET 61 -8.135 13.340 -1.880 481 H LEU 62 H LEU 62 -1.963 9.689 -2.186 482 HA LEU 62 HA LEU 62 -1.786 9.761 0.674 483 1HB LEU 62 1HB LEU 62 -0.080 8.498 -1.499 484 2HB LEU 62 2HB LEU 62 0.004 8.031 0.173 485 HG LEU 62 HG LEU 62 -2.428 7.759 -1.598 486 1HD1 LEU 62 1HD1 LEU 62 -0.510 6.341 -2.294 487 2HD1 LEU 62 2HD1 LEU 62 -0.554 5.552 -0.715 488 3HD1 LEU 62 3HD1 LEU 62 -1.957 5.447 -1.826 489 1HD2 LEU 62 1HD2 LEU 62 -1.858 6.653 1.170 490 2HD2 LEU 62 2HD2 LEU 62 -3.094 7.853 0.708 491 3HD2 LEU 62 3HD2 LEU 62 -3.235 6.182 0.152 492 H ASP 63 H ASP 63 0.234 10.801 -2.025 493 HA ASP 63 HA ASP 63 1.983 12.372 -0.198 494 1HB ASP 63 1HB ASP 63 2.965 10.434 -1.202 495 2HB ASP 63 2HB ASP 63 2.786 11.068 -2.822 496 HA PRO 64 HA PRO 64 0.055 15.550 -2.837 497 1HB PRO 64 1HB PRO 64 0.483 17.679 -1.190 498 2HB PRO 64 2HB PRO 64 -0.884 16.556 -0.968 499 1HG PRO 64 1HG PRO 64 1.775 16.625 0.480 500 2HG PRO 64 2HG PRO 64 0.140 16.365 1.166 501 1HD PRO 64 1HD PRO 64 1.860 14.318 0.613 502 2HD PRO 64 2HD PRO 64 0.093 14.126 0.415 503 H GLU 65 H GLU 65 3.273 15.642 -1.341 504 HA GLU 65 HA GLU 65 4.421 17.731 -2.932 505 1HB GLU 65 1HB GLU 65 5.664 15.243 -1.701 506 2HB GLU 65 2HB GLU 65 6.570 16.592 -2.414 507 1HG GLU 65 1HG GLU 65 5.675 18.115 -0.720 508 2HG GLU 65 2HG GLU 65 4.700 16.807 -0.038 509 H GLY 66 H GLY 66 3.633 14.347 -3.622 510 1HA GLY 66 1HA GLY 66 3.945 14.796 -6.468 511 2HA GLY 66 2HA GLY 66 3.243 13.391 -5.650 512 H ASN 67 H ASN 67 5.631 13.081 -3.882 513 HA ASN 67 HA ASN 67 7.939 12.554 -5.606 514 1HB ASN 67 1HB ASN 67 7.255 11.961 -2.693 515 2HB ASN 67 2HB ASN 67 8.652 11.233 -3.467 516 1HD2 ASN 67 1HD2 ASN 67 7.174 14.367 -2.718 517 2HD2 ASN 67 2HD2 ASN 67 8.626 15.333 -2.936 518 H LEU 68 H LEU 68 5.290 10.608 -4.206 519 HA LEU 68 HA LEU 68 6.503 8.127 -5.117 520 1HB LEU 68 1HB LEU 68 5.170 8.228 -3.052 521 2HB LEU 68 2HB LEU 68 3.731 8.667 -3.988 522 HG LEU 68 HG LEU 68 3.932 6.482 -5.259 523 1HD1 LEU 68 1HD1 LEU 68 6.225 6.066 -3.327 524 2HD1 LEU 68 2HD1 LEU 68 5.403 4.715 -4.105 525 3HD1 LEU 68 3HD1 LEU 68 6.238 5.917 -5.100 526 1HD2 LEU 68 1HD2 LEU 68 2.454 6.676 -3.287 527 2HD2 LEU 68 2HD2 LEU 68 3.110 5.059 -3.495 528 3HD2 LEU 68 3HD2 LEU 68 3.792 6.122 -2.251 529 H HIS 69 H HIS 69 6.729 8.109 -7.353 530 HA HIS 69 HA HIS 69 4.380 8.730 -9.053 531 1HB HIS 69 1HB HIS 69 7.195 7.911 -9.754 532 2HB HIS 69 2HB HIS 69 6.012 8.355 -10.907 533 HD1 HIS 69 HD1 HIS 69 4.872 11.008 -10.255 534 HD2 HIS 69 HD2 HIS 69 8.742 9.939 -9.006 535 HE1 HIS 69 HE1 HIS 69 6.091 13.184 -9.724 536 H HIS 70 H HIS 70 3.938 7.163 -10.721 537 HA HIS 70 HA HIS 70 3.589 4.434 -9.612 538 1HB HIS 70 1HB HIS 70 1.654 5.355 -10.631 539 2HB HIS 70 2HB HIS 70 2.494 5.746 -12.121 540 HD1 HIS 70 HD1 HIS 70 -0.226 3.753 -11.829 541 HD2 HIS 70 HD2 HIS 70 3.762 2.625 -12.005 542 HE1 HIS 70 HE1 HIS 70 -0.182 1.500 -12.958 543 H GLY 71 H GLY 71 5.144 3.052 -9.932 544 1HA GLY 71 1HA GLY 71 6.720 2.909 -12.355 545 2HA GLY 71 2HA GLY 71 6.738 1.815 -10.963 546 H ASN 72 H ASN 72 7.136 4.769 -9.468 547 HA ASN 72 HA ASN 72 9.966 4.309 -9.319 548 1HB ASN 72 1HB ASN 72 9.298 6.011 -11.360 549 2HB ASN 72 2HB ASN 72 9.528 7.156 -10.059 550 1HD2 ASN 72 1HD2 ASN 72 11.506 7.980 -10.700 551 2HD2 ASN 72 2HD2 ASN 72 12.985 7.037 -10.833 552 H ALA 73 H ALA 73 9.893 4.041 -7.223 553 HA ALA 73 HA ALA 73 8.708 6.154 -5.494 554 1HB ALA 73 1HB ALA 73 7.570 3.913 -5.625 555 2HB ALA 73 2HB ALA 73 8.150 4.343 -4.011 556 3HB ALA 73 3HB ALA 73 9.056 3.170 -4.983 557 H MET 74 H MET 74 11.793 5.360 -6.459 558 HA MET 74 HA MET 74 12.932 4.359 -4.019 559 1HB MET 74 1HB MET 74 14.111 5.461 -6.610 560 2HB MET 74 2HB MET 74 15.071 4.771 -5.298 561 1HG MET 74 1HG MET 74 13.742 2.647 -5.535 562 2HG MET 74 2HG MET 74 12.994 3.319 -6.979 563 1HE MET 74 1HE MET 74 13.816 0.909 -7.990 564 2HE MET 74 2HE MET 74 15.525 0.436 -8.106 565 3HE MET 74 3HE MET 74 14.737 0.527 -6.519 566 H GLU 75 H GLU 75 12.561 7.518 -5.498 567 HA GLU 75 HA GLU 75 14.520 8.818 -3.740 568 1HB GLU 75 1HB GLU 75 12.553 9.721 -5.840 569 2HB GLU 75 2HB GLU 75 13.142 10.925 -4.691 570 1HG GLU 75 1HG GLU 75 15.078 9.170 -6.223 571 2HG GLU 75 2HG GLU 75 14.338 10.589 -6.960 572 H PHE 76 H PHE 76 10.963 8.518 -3.798 573 HA PHE 76 HA PHE 76 10.356 9.760 -1.277 574 1HB PHE 76 1HB PHE 76 8.490 9.171 -2.574 575 2HB PHE 76 2HB PHE 76 9.168 7.666 -3.111 576 HD1 PHE 76 HD1 PHE 76 7.797 9.303 -0.049 577 HD2 PHE 76 HD2 PHE 76 8.372 5.650 -2.203 578 HE1 PHE 76 HE1 PHE 76 6.369 8.109 1.606 579 HE2 PHE 76 HE2 PHE 76 6.724 4.497 -0.694 580 HZ PHE 76 HZ PHE 76 5.783 5.745 1.234 581 H ALA 77 H ALA 77 11.035 6.271 -1.983 582 HA ALA 77 HA ALA 77 11.050 5.481 0.620 583 1HB ALA 77 1HB ALA 77 11.109 4.020 -1.406 584 2HB ALA 77 2HB ALA 77 12.205 3.493 -0.134 585 3HB ALA 77 3HB ALA 77 12.851 4.336 -1.557 586 H LYS 78 H LYS 78 13.894 6.842 -1.133 587 HA LYS 78 HA LYS 78 15.830 6.568 0.870 588 1HB LYS 78 1HB LYS 78 15.391 8.401 -1.439 589 2HB LYS 78 2HB LYS 78 16.393 9.064 -0.142 590 1HG LYS 78 1HG LYS 78 17.786 6.996 -0.216 591 2HG LYS 78 2HG LYS 78 16.891 6.474 -1.652 592 1HD LYS 78 1HD LYS 78 18.247 9.194 -1.492 593 2HD LYS 78 2HD LYS 78 19.149 7.748 -1.946 594 1HE LYS 78 1HE LYS 78 17.533 7.331 -3.804 595 2HE LYS 78 2HE LYS 78 16.721 8.851 -3.398 596 1HZ LYS 78 1HZ LYS 78 18.782 10.004 -3.876 597 2HZ LYS 78 2HZ LYS 78 19.539 8.563 -4.252 598 3HZ LYS 78 3HZ LYS 78 18.296 9.108 -5.171 599 H LYS 79 H LYS 79 13.244 9.025 0.748 600 HA LYS 79 HA LYS 79 14.276 10.691 2.826 601 1HB LYS 79 1HB LYS 79 11.448 10.161 1.920 602 2HB LYS 79 2HB LYS 79 11.926 11.348 3.145 603 1HG LYS 79 1HG LYS 79 13.570 12.210 1.252 604 2HG LYS 79 2HG LYS 79 12.460 11.356 0.184 605 1HD LYS 79 1HD LYS 79 10.894 12.917 2.075 606 2HD LYS 79 2HD LYS 79 12.216 13.915 1.521 607 1HE LYS 79 1HE LYS 79 10.206 12.429 -0.249 608 2HE LYS 79 2HE LYS 79 10.024 14.115 0.253 609 1HZ LYS 79 1HZ LYS 79 12.083 14.618 -0.971 610 2HZ LYS 79 2HZ LYS 79 12.216 13.073 -1.449 611 3HZ LYS 79 3HZ LYS 79 10.964 13.946 -1.969 612 H HIS 80 H HIS 80 12.821 7.467 2.996 613 HA HIS 80 HA HIS 80 12.322 7.848 5.908 614 1HB HIS 80 1HB HIS 80 11.434 5.613 4.133 615 2HB HIS 80 2HB HIS 80 10.860 5.949 5.761 616 HD1 HIS 80 HD1 HIS 80 8.768 7.746 5.901 617 HD2 HIS 80 HD2 HIS 80 10.622 7.252 2.160 618 HE1 HIS 80 HE1 HIS 80 7.449 9.141 4.231 619 H GLY 81 H GLY 81 14.785 6.965 3.955 620 1HA GLY 81 1HA GLY 81 15.824 4.952 5.892 621 2HA GLY 81 2HA GLY 81 16.763 6.283 5.219 622 H ALA 82 H ALA 82 14.669 4.699 2.966 623 HA ALA 82 HA ALA 82 16.134 2.250 2.638 624 1HB ALA 82 1HB ALA 82 14.690 1.820 0.761 625 2HB ALA 82 2HB ALA 82 13.646 2.713 1.892 626 3HB ALA 82 3HB ALA 82 14.383 3.533 0.508 627 H ASP 83 H ASP 83 18.058 1.719 1.236 628 HA ASP 83 HA ASP 83 18.925 3.859 -0.539 629 1HB ASP 83 1HB ASP 83 20.610 2.188 -1.234 630 2HB ASP 83 2HB ASP 83 20.720 2.735 0.377 631 H GLU 84 H GLU 84 19.624 2.604 -2.781 632 HA GLU 84 HA GLU 84 17.064 2.323 -4.166 633 1HB GLU 84 1HB GLU 84 19.854 1.685 -5.209 634 2HB GLU 84 2HB GLU 84 18.372 1.866 -6.181 635 1HG GLU 84 1HG GLU 84 18.278 4.242 -5.051 636 2HG GLU 84 2HG GLU 84 19.964 3.865 -4.640 637 H THR 85 H THR 85 19.750 0.122 -3.486 638 HA THR 85 HA THR 85 18.498 -2.193 -4.561 639 HB THR 85 HB THR 85 20.570 -2.025 -2.345 640 HG1 THR 85 HG1 THR 85 20.603 -1.486 -4.884 641 1HG2 THR 85 1HG2 THR 85 19.677 -4.435 -3.995 642 2HG2 THR 85 2HG2 THR 85 21.129 -4.375 -2.971 643 3HG2 THR 85 3HG2 THR 85 19.533 -4.253 -2.231 644 H MET 86 H MET 86 18.100 -0.785 -1.277 645 HA MET 86 HA MET 86 16.434 -2.879 -0.210 646 1HB MET 86 1HB MET 86 16.924 0.099 0.255 647 2HB MET 86 2HB MET 86 15.518 -0.617 0.969 648 1HG MET 86 1HG MET 86 17.002 -2.285 2.115 649 2HG MET 86 2HG MET 86 18.397 -1.412 1.479 650 1HE MET 86 1HE MET 86 17.562 -2.054 4.561 651 2HE MET 86 2HE MET 86 19.089 -1.289 4.072 652 3HE MET 86 3HE MET 86 18.089 -0.541 5.351 653 H ALA 87 H ALA 87 15.606 0.143 -2.057 654 HA ALA 87 HA ALA 87 12.774 -0.481 -2.093 655 1HB ALA 87 1HB ALA 87 13.598 1.766 -2.678 656 2HB ALA 87 2HB ALA 87 12.722 1.058 -4.045 657 3HB ALA 87 3HB ALA 87 14.498 1.101 -4.061 658 H GLN 88 H GLN 88 15.404 -1.179 -4.400 659 HA GLN 88 HA GLN 88 13.820 -2.469 -6.275 660 1HB GLN 88 1HB GLN 88 16.151 -1.608 -6.617 661 2HB GLN 88 2HB GLN 88 16.769 -2.977 -5.688 662 1HG GLN 88 1HG GLN 88 16.998 -3.308 -8.114 663 2HG GLN 88 2HG GLN 88 15.974 -4.546 -7.391 664 1HE2 GLN 88 1HE2 GLN 88 13.656 -4.445 -7.773 665 2HE2 GLN 88 2HE2 GLN 88 12.975 -3.362 -8.991 666 H GLN 89 H GLN 89 15.302 -3.799 -3.367 667 HA GLN 89 HA GLN 89 14.792 -6.580 -3.690 668 1HB GLN 89 1HB GLN 89 14.915 -4.700 -1.303 669 2HB GLN 89 2HB GLN 89 14.459 -6.331 -1.055 670 1HG GLN 89 1HG GLN 89 16.792 -6.465 -2.633 671 2HG GLN 89 2HG GLN 89 17.084 -5.180 -1.449 672 1HE2 GLN 89 1HE2 GLN 89 17.073 -8.546 -2.048 673 2HE2 GLN 89 2HE2 GLN 89 17.325 -9.057 -0.390 674 H LEU 90 H LEU 90 12.729 -3.948 -2.330 675 HA LEU 90 HA LEU 90 10.549 -5.745 -1.795 676 1HB LEU 90 1HB LEU 90 10.674 -2.709 -2.034 677 2HB LEU 90 2HB LEU 90 9.332 -3.611 -1.342 678 HG LEU 90 HG LEU 90 12.168 -3.798 -0.222 679 1HD1 LEU 90 1HD1 LEU 90 11.244 -1.469 -0.116 680 2HD1 LEU 90 2HD1 LEU 90 10.011 -2.091 1.014 681 3HD1 LEU 90 3HD1 LEU 90 11.710 -2.208 1.404 682 1HD2 LEU 90 1HD2 LEU 90 10.611 -5.616 0.433 683 2HD2 LEU 90 2HD2 LEU 90 11.203 -4.668 1.792 684 3HD2 LEU 90 3HD2 LEU 90 9.565 -4.392 1.213 685 H ILE 91 H ILE 91 11.265 -3.503 -4.433 686 HA ILE 91 HA ILE 91 8.885 -3.825 -5.965 687 HB ILE 91 HB ILE 91 11.751 -3.066 -6.491 688 1HG1 ILE 91 1HG1 ILE 91 9.354 -1.259 -6.861 689 2HG1 ILE 91 2HG1 ILE 91 9.862 -1.664 -5.239 690 1HG2 ILE 91 1HG2 ILE 91 9.645 -3.116 -8.666 691 2HG2 ILE 91 2HG2 ILE 91 11.171 -2.237 -8.763 692 3HG2 ILE 91 3HG2 ILE 91 11.141 -4.017 -8.632 693 1HD1 ILE 91 1HD1 ILE 91 12.074 -0.749 -5.695 694 2HD1 ILE 91 2HD1 ILE 91 11.570 -0.319 -7.351 695 3HD1 ILE 91 3HD1 ILE 91 10.792 0.430 -5.929 696 H ASP 92 H ASP 92 11.937 -5.743 -6.004 697 HA ASP 92 HA ASP 92 11.208 -7.536 -8.116 698 1HB ASP 92 1HB ASP 92 13.444 -7.208 -6.685 699 2HB ASP 92 2HB ASP 92 12.791 -8.434 -5.677 700 H ILE 93 H ILE 93 10.865 -7.651 -4.652 701 HA ILE 93 HA ILE 93 9.403 -10.081 -4.437 702 HB ILE 93 HB ILE 93 9.574 -7.670 -2.608 703 1HG1 ILE 93 1HG1 ILE 93 10.825 -10.440 -2.620 704 2HG1 ILE 93 2HG1 ILE 93 11.657 -9.033 -3.115 705 1HG2 ILE 93 1HG2 ILE 93 8.308 -10.368 -2.028 706 2HG2 ILE 93 2HG2 ILE 93 8.623 -9.084 -0.827 707 3HG2 ILE 93 3HG2 ILE 93 7.460 -8.812 -2.105 708 1HD1 ILE 93 1HD1 ILE 93 11.414 -8.046 -0.821 709 2HD1 ILE 93 2HD1 ILE 93 10.743 -9.609 -0.296 710 3HD1 ILE 93 3HD1 ILE 93 12.397 -9.517 -0.891 711 H VAL 94 H VAL 94 8.024 -6.724 -4.855 712 HA VAL 94 HA VAL 94 5.303 -7.531 -4.744 713 HB VAL 94 HB VAL 94 6.672 -5.296 -6.292 714 1HG1 VAL 94 1HG1 VAL 94 3.643 -5.721 -6.036 715 2HG1 VAL 94 2HG1 VAL 94 4.442 -4.235 -6.611 716 3HG1 VAL 94 3HG1 VAL 94 4.572 -5.696 -7.532 717 1HG2 VAL 94 1HG2 VAL 94 4.975 -5.391 -3.749 718 2HG2 VAL 94 2HG2 VAL 94 6.708 -5.073 -3.857 719 3HG2 VAL 94 3HG2 VAL 94 5.581 -3.921 -4.544 720 H HIS 95 H HIS 95 7.487 -7.340 -7.595 721 HA HIS 95 HA HIS 95 5.477 -8.459 -9.362 722 1HB HIS 95 1HB HIS 95 8.486 -8.119 -9.705 723 2HB HIS 95 2HB HIS 95 7.318 -8.429 -10.998 724 HD1 HIS 95 HD1 HIS 95 9.157 -5.706 -10.745 725 HD2 HIS 95 HD2 HIS 95 5.156 -6.179 -9.534 726 HE1 HIS 95 HE1 HIS 95 8.099 -3.387 -10.726 727 H GLY 96 H GLY 96 7.820 -9.767 -7.211 728 1HA GLY 96 1HA GLY 96 8.516 -11.897 -6.728 729 2HA GLY 96 2HA GLY 96 7.811 -12.472 -8.244 730 H CYS 97 H CYS 97 5.747 -10.611 -6.197 731 HA CYS 97 HA CYS 97 4.749 -12.954 -4.721 732 1HB CYS 97 1HB CYS 97 4.510 -9.984 -4.415 733 2HB CYS 97 2HB CYS 97 3.180 -10.979 -3.830 734 H GLU 98 H GLU 98 3.681 -10.716 -7.273 735 HA GLU 98 HA GLU 98 1.118 -11.542 -7.763 736 1HB GLU 98 1HB GLU 98 3.338 -11.176 -9.750 737 2HB GLU 98 2HB GLU 98 1.687 -11.559 -10.156 738 1HG GLU 98 1HG GLU 98 1.034 -9.471 -8.788 739 2HG GLU 98 2HG GLU 98 2.720 -9.136 -8.727 740 H LYS 99 H LYS 99 4.163 -13.231 -8.236 741 HA LYS 99 HA LYS 99 3.384 -15.236 -10.054 742 1HB LYS 99 1HB LYS 99 5.671 -15.464 -8.145 743 2HB LYS 99 2HB LYS 99 5.435 -16.191 -9.750 744 1HG LYS 99 1HG LYS 99 5.835 -13.271 -9.171 745 2HG LYS 99 2HG LYS 99 7.004 -14.392 -9.864 746 1HD LYS 99 1HD LYS 99 4.371 -13.681 -11.106 747 2HD LYS 99 2HD LYS 99 5.899 -12.904 -11.552 748 1HE LYS 99 1HE LYS 99 6.624 -14.737 -12.752 749 2HE LYS 99 2HE LYS 99 5.944 -15.861 -11.586 750 1HZ LYS 99 1HZ LYS 99 3.702 -15.016 -12.612 751 2HZ LYS 99 2HZ LYS 99 4.658 -14.702 -13.903 752 3HZ LYS 99 3HZ LYS 99 4.582 -16.226 -13.301 753 H SER 100 H SER 100 3.854 -15.261 -6.554 754 HA SER 100 HA SER 100 3.072 -17.993 -6.157 755 1HB SER 100 1HB SER 100 3.249 -17.499 -3.819 756 2HB SER 100 2HB SER 100 4.564 -16.656 -4.644 757 HG SER 100 HG SER 100 3.122 -14.739 -4.563 758 H THR 101 H THR 101 1.344 -14.841 -6.046 759 HA THR 101 HA THR 101 -1.013 -16.047 -4.853 760 HB THR 101 HB THR 101 -0.629 -13.247 -5.984 761 HG1 THR 101 HG1 THR 101 0.097 -14.494 -3.577 762 1HG2 THR 101 1HG2 THR 101 -2.620 -14.420 -3.993 763 2HG2 THR 101 2HG2 THR 101 -2.491 -12.709 -4.503 764 3HG2 THR 101 3HG2 THR 101 -2.971 -13.938 -5.668 765 HA PRO 102 HA PRO 102 -1.768 -17.351 -9.000 766 1HB PRO 102 1HB PRO 102 -4.000 -18.862 -8.758 767 2HB PRO 102 2HB PRO 102 -2.410 -19.391 -8.124 768 1HG PRO 102 1HG PRO 102 -4.665 -18.107 -6.574 769 2HG PRO 102 2HG PRO 102 -3.661 -19.531 -6.138 770 1HD PRO 102 1HD PRO 102 -3.164 -16.979 -5.214 771 2HD PRO 102 2HD PRO 102 -1.861 -18.161 -5.485 772 H ALA 103 H ALA 103 -2.712 -16.344 -10.636 773 HA ALA 103 HA ALA 103 -4.134 -14.032 -10.561 774 1HB ALA 103 1HB ALA 103 -4.062 -16.130 -12.765 775 2HB ALA 103 2HB ALA 103 -2.895 -14.812 -12.503 776 3HB ALA 103 3HB ALA 103 -4.571 -14.437 -12.946 777 H ASN 104 H ASN 104 -5.807 -13.865 -9.464 778 HA ASN 104 HA ASN 104 -7.995 -15.802 -9.157 779 1HB ASN 104 1HB ASN 104 -6.944 -14.040 -7.490 780 2HB ASN 104 2HB ASN 104 -8.010 -12.903 -8.277 781 1HD2 ASN 104 1HD2 ASN 104 -7.730 -14.733 -5.603 782 2HD2 ASN 104 2HD2 ASN 104 -9.464 -14.994 -5.317 783 H ASP 105 H ASP 105 -10.265 -15.355 -9.879 784 HA ASP 105 HA ASP 105 -10.699 -13.954 -12.228 785 1HB ASP 105 1HB ASP 105 -12.155 -15.675 -11.283 786 2HB ASP 105 2HB ASP 105 -12.565 -14.607 -9.926 787 H ASP 106 H ASP 106 -10.602 -12.999 -8.821 788 HA ASP 106 HA ASP 106 -11.788 -10.367 -9.419 789 1HB ASP 106 1HB ASP 106 -12.537 -12.178 -7.593 790 2HB ASP 106 2HB ASP 106 -11.283 -11.481 -6.671 791 H LYS 107 H LYS 107 -10.235 -8.795 -9.834 792 HA LYS 107 HA LYS 107 -7.522 -9.251 -9.163 793 1HB LYS 107 1HB LYS 107 -8.880 -7.487 -10.898 794 2HB LYS 107 2HB LYS 107 -8.152 -6.411 -9.731 795 1HG LYS 107 1HG LYS 107 -6.434 -6.632 -11.262 796 2HG LYS 107 2HG LYS 107 -5.974 -7.820 -10.051 797 1HD LYS 107 1HD LYS 107 -5.933 -9.367 -11.714 798 2HD LYS 107 2HD LYS 107 -7.687 -9.274 -11.781 799 1HE LYS 107 1HE LYS 107 -7.300 -8.664 -13.959 800 2HE LYS 107 2HE LYS 107 -7.133 -7.066 -13.191 801 1HZ LYS 107 1HZ LYS 107 -4.629 -8.090 -13.019 802 2HZ LYS 107 2HZ LYS 107 -5.127 -8.736 -14.435 803 3HZ LYS 107 3HZ LYS 107 -5.147 -7.110 -14.234 804 H CYS 108 H CYS 108 -10.026 -7.502 -7.472 805 HA CYS 108 HA CYS 108 -8.572 -6.200 -5.431 806 1HB CYS 108 1HB CYS 108 -10.800 -5.721 -5.536 807 2HB CYS 108 2HB CYS 108 -11.334 -7.378 -5.759 808 H ILE 109 H ILE 109 -10.142 -9.348 -5.190 809 HA ILE 109 HA ILE 109 -8.886 -10.184 -2.775 810 HB ILE 109 HB ILE 109 -10.152 -11.808 -5.052 811 1HG1 ILE 109 1HG1 ILE 109 -11.240 -10.791 -2.372 812 2HG1 ILE 109 2HG1 ILE 109 -11.652 -10.120 -3.942 813 1HG2 ILE 109 1HG2 ILE 109 -8.692 -13.258 -3.698 814 2HG2 ILE 109 2HG2 ILE 109 -9.559 -12.766 -2.230 815 3HG2 ILE 109 3HG2 ILE 109 -10.399 -13.666 -3.512 816 1HD1 ILE 109 1HD1 ILE 109 -12.619 -12.386 -4.567 817 2HD1 ILE 109 2HD1 ILE 109 -12.474 -12.794 -2.832 818 3HD1 ILE 109 3HD1 ILE 109 -13.465 -11.416 -3.339 819 H TRP 110 H TRP 110 -7.805 -10.720 -6.132 820 HA TRP 110 HA TRP 110 -5.416 -12.135 -5.505 821 1HB TRP 110 1HB TRP 110 -6.275 -11.850 -7.762 822 2HB TRP 110 2HB TRP 110 -6.016 -10.129 -7.700 823 HD1 TRP 110 HD1 TRP 110 -4.059 -13.425 -7.847 824 HE1 TRP 110 HE1 TRP 110 -1.759 -13.014 -8.879 825 HE3 TRP 110 HE3 TRP 110 -4.328 -8.344 -8.234 826 HZ2 TRP 110 HZ2 TRP 110 -0.369 -10.731 -10.083 827 HZ3 TRP 110 HZ3 TRP 110 -2.503 -7.054 -9.306 828 HH2 TRP 110 HH2 TRP 110 -0.568 -8.211 -10.256 829 H THR 111 H THR 111 -5.864 -8.568 -5.912 830 HA THR 111 HA THR 111 -3.283 -7.766 -5.350 831 HB THR 111 HB THR 111 -5.998 -6.452 -4.969 832 HG1 THR 111 HG1 THR 111 -5.624 -6.791 -7.020 833 1HG2 THR 111 1HG2 THR 111 -3.280 -5.201 -4.639 834 2HG2 THR 111 2HG2 THR 111 -4.701 -4.286 -5.189 835 3HG2 THR 111 3HG2 THR 111 -4.711 -5.083 -3.602 836 H LEU 112 H LEU 112 -5.897 -8.521 -2.936 837 HA LEU 112 HA LEU 112 -4.359 -7.623 -0.683 838 1HB LEU 112 1HB LEU 112 -6.802 -7.808 -0.735 839 2HB LEU 112 2HB LEU 112 -6.730 -9.525 -0.997 840 HG LEU 112 HG LEU 112 -7.327 -8.636 1.287 841 1HD1 LEU 112 1HD1 LEU 112 -6.597 -10.953 0.728 842 2HD1 LEU 112 2HD1 LEU 112 -4.986 -10.541 1.298 843 3HD1 LEU 112 3HD1 LEU 112 -6.340 -10.477 2.427 844 1HD2 LEU 112 1HD2 LEU 112 -5.574 -6.870 1.463 845 2HD2 LEU 112 2HD2 LEU 112 -5.629 -7.966 2.856 846 3HD2 LEU 112 3HD2 LEU 112 -4.347 -8.141 1.653 847 H GLY 113 H GLY 113 -4.911 -10.792 -2.294 848 1HA GLY 113 1HA GLY 113 -3.517 -12.623 -2.447 849 2HA GLY 113 2HA GLY 113 -3.236 -12.431 -0.716 850 H VAL 114 H VAL 114 -2.294 -10.412 -3.581 851 HA VAL 114 HA VAL 114 0.462 -10.974 -3.590 852 HB VAL 114 HB VAL 114 -1.043 -8.483 -4.474 853 1HG1 VAL 114 1HG1 VAL 114 1.422 -8.017 -4.197 854 2HG1 VAL 114 2HG1 VAL 114 1.755 -9.333 -5.332 855 3HG1 VAL 114 3HG1 VAL 114 0.849 -7.891 -5.855 856 1HG2 VAL 114 1HG2 VAL 114 -0.036 -10.926 -5.990 857 2HG2 VAL 114 2HG2 VAL 114 -1.730 -10.529 -5.693 858 3HG2 VAL 114 3HG2 VAL 114 -0.767 -9.490 -6.740 859 H ALA 115 H ALA 115 -1.318 -8.306 -1.876 860 HA ALA 115 HA ALA 115 0.929 -7.197 -0.578 861 1HB ALA 115 1HB ALA 115 -1.341 -6.154 -0.700 862 2HB ALA 115 2HB ALA 115 -0.680 -6.184 0.947 863 3HB ALA 115 3HB ALA 115 -1.933 -7.343 0.476 864 H THR 116 H THR 116 -1.137 -9.923 0.385 865 HA THR 116 HA THR 116 -0.056 -10.301 3.033 866 HB THR 116 HB THR 116 -1.314 -12.391 1.197 867 HG1 THR 116 HG1 THR 116 -2.642 -10.532 1.375 868 1HG2 THR 116 1HG2 THR 116 -0.357 -13.290 3.315 869 2HG2 THR 116 2HG2 THR 116 -1.380 -12.161 4.228 870 3HG2 THR 116 3HG2 THR 116 -2.122 -13.439 3.240 871 H CYS 117 H CYS 117 0.781 -11.649 -0.190 872 HA CYS 117 HA CYS 117 2.958 -13.273 0.707 873 1HB CYS 117 1HB CYS 117 2.076 -13.654 -1.466 874 2HB CYS 117 2HB CYS 117 2.298 -11.983 -1.958 875 H PHE 118 H PHE 118 2.881 -9.787 -0.511 876 HA PHE 118 HA PHE 118 5.583 -9.429 -0.450 877 1HB PHE 118 1HB PHE 118 3.995 -7.897 -1.463 878 2HB PHE 118 2HB PHE 118 3.307 -7.484 0.105 879 HD1 PHE 118 HD1 PHE 118 6.902 -7.818 0.157 880 HD2 PHE 118 HD2 PHE 118 3.743 -5.059 -0.740 881 HE1 PHE 118 HE1 PHE 118 8.481 -5.992 0.269 882 HE2 PHE 118 HE2 PHE 118 5.325 -3.195 -0.479 883 HZ PHE 118 HZ PHE 118 7.674 -3.614 0.074 884 H LYS 119 H LYS 119 3.425 -8.365 2.113 885 HA LYS 119 HA LYS 119 5.090 -7.678 4.165 886 1HB LYS 119 1HB LYS 119 2.406 -8.094 3.933 887 2HB LYS 119 2HB LYS 119 2.797 -9.481 4.878 888 1HG LYS 119 1HG LYS 119 4.045 -7.947 6.498 889 2HG LYS 119 2HG LYS 119 3.395 -6.577 5.620 890 1HD LYS 119 1HD LYS 119 1.320 -6.779 6.541 891 2HD LYS 119 2HD LYS 119 1.305 -8.530 6.452 892 1HE LYS 119 1HE LYS 119 2.870 -6.931 8.524 893 2HE LYS 119 2HE LYS 119 1.266 -7.643 8.792 894 1HZ LYS 119 1HZ LYS 119 2.220 -9.808 8.335 895 2HZ LYS 119 2HZ LYS 119 3.726 -9.169 8.153 896 3HZ LYS 119 3HZ LYS 119 3.006 -9.118 9.606 897 H ALA 120 H ALA 120 3.992 -10.955 3.501 898 HA ALA 120 HA ALA 120 5.508 -12.240 5.546 899 1HB ALA 120 1HB ALA 120 5.129 -14.346 4.361 900 2HB ALA 120 2HB ALA 120 3.650 -13.372 4.450 901 3HB ALA 120 3HB ALA 120 4.564 -13.457 2.929 902 H GLU 121 H GLU 121 6.528 -11.582 2.112 903 HA GLU 121 HA GLU 121 9.153 -12.715 2.436 904 1HB GLU 121 1HB GLU 121 7.725 -10.913 0.511 905 2HB GLU 121 2HB GLU 121 9.467 -10.867 0.536 906 1HG GLU 121 1HG GLU 121 8.195 -13.555 0.311 907 2HG GLU 121 2HG GLU 121 8.148 -12.425 -1.057 908 H ILE 122 H ILE 122 8.009 -9.238 2.871 909 HA ILE 122 HA ILE 122 10.357 -8.272 3.854 910 HB ILE 122 HB ILE 122 7.622 -7.718 5.040 911 1HG1 ILE 122 1HG1 ILE 122 9.137 -6.173 2.976 912 2HG1 ILE 122 2HG1 ILE 122 7.745 -7.204 2.690 913 1HG2 ILE 122 1HG2 ILE 122 10.193 -6.186 5.460 914 2HG2 ILE 122 2HG2 ILE 122 8.576 -5.643 5.988 915 3HG2 ILE 122 3HG2 ILE 122 9.279 -7.068 6.704 916 1HD1 ILE 122 1HD1 ILE 122 6.388 -5.740 4.243 917 2HD1 ILE 122 2HD1 ILE 122 7.744 -4.592 4.230 918 3HD1 ILE 122 3HD1 ILE 122 6.909 -4.981 2.730 919 H HIS 123 H HIS 123 8.310 -10.650 5.515 920 HA HIS 123 HA HIS 123 9.965 -10.711 7.936 921 1HB HIS 123 1HB HIS 123 7.390 -11.312 7.440 922 2HB HIS 123 2HB HIS 123 8.067 -12.917 7.249 923 HD1 HIS 123 HD1 HIS 123 9.674 -13.707 9.445 924 HD2 HIS 123 HD2 HIS 123 6.993 -10.514 9.906 925 HE1 HIS 123 HE1 HIS 123 9.303 -13.449 11.965 926 H LYS 124 H LYS 124 10.535 -11.692 4.894 927 HA LYS 124 HA LYS 124 12.458 -13.803 5.775 928 1HB LYS 124 1HB LYS 124 11.553 -13.115 2.958 929 2HB LYS 124 2HB LYS 124 12.888 -14.184 3.360 930 1HG LYS 124 1HG LYS 124 11.323 -15.662 4.626 931 2HG LYS 124 2HG LYS 124 9.981 -14.624 4.137 932 1HD LYS 124 1HD LYS 124 9.875 -15.528 2.080 933 2HD LYS 124 2HD LYS 124 11.617 -15.423 1.831 934 1HE LYS 124 1HE LYS 124 10.401 -17.630 3.512 935 2HE LYS 124 2HE LYS 124 10.559 -17.733 1.753 936 1HZ LYS 124 1HZ LYS 124 12.949 -17.288 2.024 937 2HZ LYS 124 2HZ LYS 124 12.803 -17.430 3.650 938 3HZ LYS 124 3HZ LYS 124 12.454 -18.711 2.631 939 H LEU 125 H LEU 125 12.194 -10.437 4.735 940 HA LEU 125 HA LEU 125 15.030 -10.147 4.153 941 1HB LEU 125 1HB LEU 125 13.000 -8.082 5.075 942 2HB LEU 125 2HB LEU 125 14.636 -7.713 4.663 943 HG LEU 125 HG LEU 125 12.732 -8.943 2.627 944 1HD1 LEU 125 1HD1 LEU 125 13.418 -6.025 3.166 945 2HD1 LEU 125 2HD1 LEU 125 12.634 -6.620 1.694 946 3HD1 LEU 125 3HD1 LEU 125 11.827 -6.774 3.261 947 1HD2 LEU 125 1HD2 LEU 125 15.499 -7.683 2.536 948 2HD2 LEU 125 2HD2 LEU 125 15.001 -9.289 1.981 949 3HD2 LEU 125 3HD2 LEU 125 14.517 -7.866 1.059 950 H ASN 126 H ASN 126 16.515 -9.136 5.501 951 HA ASN 126 HA ASN 126 16.261 -9.739 8.405 952 1HB ASN 126 1HB ASN 126 18.234 -10.699 7.401 953 2HB ASN 126 2HB ASN 126 18.664 -9.166 6.631 954 1HD2 ASN 126 1HD2 ASN 126 20.614 -8.603 7.660 955 2HD2 ASN 126 2HD2 ASN 126 20.727 -8.466 9.406 956 H TRP 127 H TRP 127 15.892 -7.170 6.271 957 HA TRP 127 HA TRP 127 16.206 -5.211 8.511 958 1HB TRP 127 1HB TRP 127 16.287 -3.448 6.959 959 2HB TRP 127 2HB TRP 127 17.511 -4.618 6.580 960 HD1 TRP 127 HD1 TRP 127 16.909 -6.264 4.368 961 HE1 TRP 127 HE1 TRP 127 15.992 -5.498 2.121 962 HE3 TRP 127 HE3 TRP 127 14.736 -1.905 5.889 963 HZ2 TRP 127 HZ2 TRP 127 14.290 -3.360 1.157 964 HZ3 TRP 127 HZ3 TRP 127 13.659 -0.424 4.264 965 HH2 TRP 127 HH2 TRP 127 13.440 -1.110 1.879 966 H ALA 128 H ALA 128 14.362 -3.317 7.820 967 HA ALA 128 HA ALA 128 11.758 -4.608 7.391 968 1HB ALA 128 1HB ALA 128 12.433 -3.115 9.947 969 2HB ALA 128 2HB ALA 128 12.027 -4.844 9.806 970 3HB ALA 128 3HB ALA 128 10.808 -3.608 9.442 971 HA PRO 129 HA PRO 129 11.765 -0.414 5.430 972 1HB PRO 129 1HB PRO 129 9.144 -1.237 4.367 973 2HB PRO 129 2HB PRO 129 10.604 -0.745 3.480 974 1HG PRO 129 1HG PRO 129 9.714 -3.352 3.502 975 2HG PRO 129 2HG PRO 129 11.451 -2.919 3.426 976 1HD PRO 129 1HD PRO 129 9.883 -3.770 5.832 977 2HD PRO 129 2HD PRO 129 11.525 -4.259 5.281 978 H SER 130 H SER 130 10.545 1.461 6.013 979 HA SER 130 HA SER 130 8.779 1.465 8.259 980 1HB SER 130 1HB SER 130 8.688 3.450 5.969 981 2HB SER 130 2HB SER 130 8.376 3.739 7.683 982 HG SER 130 HG SER 130 10.559 3.499 8.107 983 H MET 131 H MET 131 6.384 1.737 8.157 984 HA MET 131 HA MET 131 5.060 0.026 6.276 985 1HB MET 131 1HB MET 131 4.094 2.274 8.089 986 2HB MET 131 2HB MET 131 3.033 1.250 7.155 987 1HG MET 131 1HG MET 131 3.029 -0.234 8.803 988 2HG MET 131 2HG MET 131 4.709 -0.579 8.478 989 1HE MET 131 1HE MET 131 2.045 1.389 10.168 990 2HE MET 131 2HE MET 131 2.788 2.241 11.559 991 3HE MET 131 3HE MET 131 3.062 2.801 9.893 992 H ASP 132 H ASP 132 5.379 3.569 6.562 993 HA ASP 132 HA ASP 132 3.873 4.450 4.454 994 1HB ASP 132 1HB ASP 132 6.624 5.478 5.214 995 2HB ASP 132 2HB ASP 132 5.420 6.333 4.256 996 H VAL 133 H VAL 133 7.298 3.411 4.266 997 HA VAL 133 HA VAL 133 7.481 3.570 1.421 998 HB VAL 133 HB VAL 133 9.178 2.027 3.431 999 1HG1 VAL 133 1HG1 VAL 133 9.590 2.611 0.469 1000 2HG1 VAL 133 2HG1 VAL 133 10.968 2.342 1.558 1001 3HG1 VAL 133 3HG1 VAL 133 9.742 1.070 1.333 1002 1HG2 VAL 133 1HG2 VAL 133 9.457 4.775 2.158 1003 2HG2 VAL 133 2HG2 VAL 133 9.201 4.424 3.879 1004 3HG2 VAL 133 3HG2 VAL 133 10.718 3.945 3.096 1005 H ALA 134 H ALA 134 7.044 0.642 3.571 1006 HA ALA 134 HA ALA 134 6.964 -1.210 1.479 1007 1HB ALA 134 1HB ALA 134 7.085 -1.910 3.820 1008 2HB ALA 134 2HB ALA 134 5.720 -2.678 2.990 1009 3HB ALA 134 3HB ALA 134 5.427 -1.321 4.106 1010 H VAL 135 H VAL 135 4.117 0.427 2.983 1011 HA VAL 135 HA VAL 135 2.354 -0.836 1.042 1012 HB VAL 135 HB VAL 135 1.635 1.529 2.817 1013 1HG1 VAL 135 1HG1 VAL 135 -0.001 0.805 1.058 1014 2HG1 VAL 135 2HG1 VAL 135 0.022 -0.829 1.716 1015 3HG1 VAL 135 3HG1 VAL 135 -0.622 0.509 2.692 1016 1HG2 VAL 135 1HG2 VAL 135 1.665 -1.425 3.617 1017 2HG2 VAL 135 2HG2 VAL 135 2.533 -0.112 4.429 1018 3HG2 VAL 135 3HG2 VAL 135 0.788 -0.151 4.487 1019 H GLY 136 H GLY 136 4.150 2.236 1.206 1020 1HA GLY 136 1HA GLY 136 4.490 3.871 -0.265 1021 2HA GLY 136 2HA GLY 136 2.839 3.732 -0.792 1022 H GLU 137 H GLU 137 5.693 1.499 -1.036 1023 HA GLU 137 HA GLU 137 6.055 2.112 -3.806 1024 1HB GLU 137 1HB GLU 137 7.112 -0.181 -2.166 1025 2HB GLU 137 2HB GLU 137 7.687 0.285 -3.760 1026 1HG GLU 137 1HG GLU 137 8.173 2.642 -2.636 1027 2HG GLU 137 2HG GLU 137 7.966 1.829 -1.139 1028 H ILE 138 H ILE 138 4.576 -0.752 -2.118 1029 HA ILE 138 HA ILE 138 4.218 -2.115 -4.567 1030 HB ILE 138 HB ILE 138 4.103 -3.284 -2.455 1031 1HG1 ILE 138 1HG1 ILE 138 1.392 -3.597 -3.792 1032 2HG1 ILE 138 2HG1 ILE 138 2.890 -4.183 -4.491 1033 1HG2 ILE 138 1HG2 ILE 138 2.900 -1.505 -1.151 1034 2HG2 ILE 138 2HG2 ILE 138 1.406 -1.943 -1.960 1035 3HG2 ILE 138 3HG2 ILE 138 2.235 -3.109 -0.885 1036 1HD1 ILE 138 1HD1 ILE 138 1.749 -5.155 -1.830 1037 2HD1 ILE 138 2HD1 ILE 138 1.587 -5.971 -3.385 1038 3HD1 ILE 138 3HD1 ILE 138 3.164 -5.822 -2.661 1039 H LEU 139 H LEU 139 2.307 0.508 -3.218 1040 HA LEU 139 HA LEU 139 0.043 0.186 -5.056 1041 1HB LEU 139 1HB LEU 139 1.103 2.477 -3.404 1042 2HB LEU 139 2HB LEU 139 -0.292 2.608 -4.343 1043 HG LEU 139 HG LEU 139 0.051 0.625 -2.031 1044 1HD1 LEU 139 1HD1 LEU 139 -1.511 3.230 -2.216 1045 2HD1 LEU 139 2HD1 LEU 139 -1.524 2.098 -0.835 1046 3HD1 LEU 139 3HD1 LEU 139 -0.039 2.958 -1.262 1047 1HD2 LEU 139 1HD2 LEU 139 -2.369 1.233 -3.702 1048 2HD2 LEU 139 2HD2 LEU 139 -1.481 -0.297 -3.593 1049 3HD2 LEU 139 3HD2 LEU 139 -2.380 0.305 -2.188 1050 H ALA 140 H ALA 140 2.998 2.122 -4.907 1051 HA ALA 140 HA ALA 140 2.667 3.450 -7.419 1052 1HB ALA 140 1HB ALA 140 4.469 4.167 -6.077 1053 2HB ALA 140 2HB ALA 140 5.223 2.559 -6.054 1054 3HB ALA 140 3HB ALA 140 5.187 3.481 -7.545 1055 H GLU 141 H GLU 141 2.855 0.053 -6.940 1056 HA GLU 141 HA GLU 141 3.747 -0.420 -9.695 1057 1HB GLU 141 1HB GLU 141 3.842 -1.989 -7.089 1058 2HB GLU 141 2HB GLU 141 4.242 -2.680 -8.663 1059 1HG GLU 141 1HG GLU 141 5.974 -1.044 -9.028 1060 2HG GLU 141 2HG GLU 141 5.574 -0.151 -7.559 1061 H VAL 142 H VAL 142 1.627 -2.022 -7.306 1062 HA VAL 142 HA VAL 142 0.672 -3.877 -9.019 1063 HB VAL 142 HB VAL 142 -0.133 -2.889 -6.321 1064 1HG1 VAL 142 1HG1 VAL 142 -1.820 -4.867 -7.850 1065 2HG1 VAL 142 2HG1 VAL 142 -1.787 -4.699 -6.080 1066 3HG1 VAL 142 3HG1 VAL 142 -2.317 -3.329 -7.079 1067 1HG2 VAL 142 1HG2 VAL 142 1.794 -4.380 -6.720 1068 2HG2 VAL 142 2HG2 VAL 142 0.566 -5.153 -5.703 1069 3HG2 VAL 142 3HG2 VAL 142 0.715 -5.594 -7.419 No H/Q in entry = 1069 Start of MODEL 20 1 H SER 1 H SER 1 0.521 21.133 10.141 2 HA SER 1 HA SER 1 0.601 20.682 12.528 3 1HB SER 1 1HB SER 1 0.550 18.173 10.814 4 2HB SER 1 2HB SER 1 0.044 18.275 12.498 5 HG SER 1 HG SER 1 -1.736 18.454 11.208 6 H GLN 2 H GLN 2 1.624 19.777 14.299 7 HA GLN 2 HA GLN 2 4.501 19.345 14.010 8 1HB GLN 2 1HB GLN 2 2.803 18.842 16.474 9 2HB GLN 2 2HB GLN 2 4.515 19.214 16.399 10 1HG GLN 2 1HG GLN 2 2.160 21.082 16.006 11 2HG GLN 2 2HG GLN 2 3.369 21.099 17.271 12 1HE2 GLN 2 1HE2 GLN 2 4.425 23.050 17.071 13 2HE2 GLN 2 2HE2 GLN 2 5.006 23.693 15.523 14 H GLU 3 H GLU 3 5.478 17.396 15.128 15 HA GLU 3 HA GLU 3 5.781 15.160 15.366 16 1HB GLU 3 1HB GLU 3 3.180 15.789 16.662 17 2HB GLU 3 2HB GLU 3 3.906 14.190 16.849 18 1HG GLU 3 1HG GLU 3 5.581 14.931 18.205 19 2HG GLU 3 2HG GLU 3 5.818 16.409 17.283 20 H VAL 4 H VAL 4 5.253 15.489 12.729 21 HA VAL 4 HA VAL 4 3.366 13.749 11.781 22 HB VAL 4 HB VAL 4 4.506 16.012 11.102 23 1HG1 VAL 4 1HG1 VAL 4 6.870 15.183 11.060 24 2HG1 VAL 4 2HG1 VAL 4 6.463 14.264 9.591 25 3HG1 VAL 4 3HG1 VAL 4 6.315 16.027 9.604 26 1HG2 VAL 4 1HG2 VAL 4 2.770 14.947 10.014 27 2HG2 VAL 4 2HG2 VAL 4 3.896 15.669 8.851 28 3HG2 VAL 4 3HG2 VAL 4 3.912 13.896 9.099 29 H MET 5 H MET 5 5.004 12.381 13.605 30 HA MET 5 HA MET 5 6.323 10.297 11.947 31 1HB MET 5 1HB MET 5 8.203 10.322 13.468 32 2HB MET 5 2HB MET 5 7.872 11.943 12.846 33 1HG MET 5 1HG MET 5 6.588 12.374 15.032 34 2HG MET 5 2HG MET 5 7.341 10.891 15.628 35 1HE MET 5 1HE MET 5 7.581 13.667 17.101 36 2HE MET 5 2HE MET 5 8.412 12.199 17.661 37 3HE MET 5 3HE MET 5 9.313 13.722 17.497 38 H LYS 6 H LYS 6 3.704 10.537 13.490 39 HA LYS 6 HA LYS 6 3.759 8.343 15.425 40 1HB LYS 6 1HB LYS 6 1.412 9.551 13.884 41 2HB LYS 6 2HB LYS 6 1.324 8.549 15.329 42 1HG LYS 6 1HG LYS 6 2.702 10.386 16.494 43 2HG LYS 6 2HG LYS 6 2.329 11.406 15.105 44 1HD LYS 6 1HD LYS 6 0.260 10.035 16.878 45 2HD LYS 6 2HD LYS 6 0.757 11.738 16.996 46 1HE LYS 6 1HE LYS 6 -0.104 12.284 14.852 47 2HE LYS 6 2HE LYS 6 -0.327 10.593 14.403 48 1HZ LYS 6 1HZ LYS 6 -1.819 11.780 16.651 49 2HZ LYS 6 2HZ LYS 6 -2.316 11.851 15.066 50 3HZ LYS 6 3HZ LYS 6 -2.144 10.393 15.786 51 H ASN 7 H ASN 7 2.108 6.450 14.851 52 HA ASN 7 HA ASN 7 2.958 4.897 12.670 53 1HB ASN 7 1HB ASN 7 1.573 3.865 14.369 54 2HB ASN 7 2HB ASN 7 0.284 5.042 14.035 55 1HD2 ASN 7 1HD2 ASN 7 -1.383 4.320 12.800 56 2HD2 ASN 7 2HD2 ASN 7 -1.250 3.088 11.570 57 H LEU 8 H LEU 8 2.409 4.721 10.700 58 HA LEU 8 HA LEU 8 2.087 5.370 8.584 59 1HB LEU 8 1HB LEU 8 0.222 4.017 9.163 60 2HB LEU 8 2HB LEU 8 -0.716 5.392 9.719 61 HG LEU 8 HG LEU 8 -1.224 4.335 7.449 62 1HD1 LEU 8 1HD1 LEU 8 -2.004 6.603 8.362 63 2HD1 LEU 8 2HD1 LEU 8 -0.782 7.294 7.273 64 3HD1 LEU 8 3HD1 LEU 8 -2.121 6.344 6.626 65 1HD2 LEU 8 1HD2 LEU 8 1.287 4.422 6.760 66 2HD2 LEU 8 2HD2 LEU 8 0.082 4.786 5.565 67 3HD2 LEU 8 3HD2 LEU 8 0.964 6.104 6.327 68 H SER 9 H SER 9 3.082 7.041 7.836 69 HA SER 9 HA SER 9 2.443 9.771 8.561 70 1HB SER 9 1HB SER 9 4.257 8.702 6.365 71 2HB SER 9 2HB SER 9 4.273 10.317 7.077 72 HG SER 9 HG SER 9 5.755 8.451 7.824 73 H LEU 10 H LEU 10 2.095 7.701 5.639 74 HA LEU 10 HA LEU 10 1.293 9.666 3.907 75 1HB LEU 10 1HB LEU 10 0.573 6.746 3.964 76 2HB LEU 10 2HB LEU 10 0.041 7.773 2.639 77 HG LEU 10 HG LEU 10 2.864 6.946 3.339 78 1HD1 LEU 10 1HD1 LEU 10 1.168 6.542 0.860 79 2HD1 LEU 10 2HD1 LEU 10 2.901 6.193 0.966 80 3HD1 LEU 10 3HD1 LEU 10 1.792 5.315 1.988 81 1HD2 LEU 10 1HD2 LEU 10 1.917 9.154 1.433 82 2HD2 LEU 10 2HD2 LEU 10 3.124 9.273 2.735 83 3HD2 LEU 10 3HD2 LEU 10 3.491 8.371 1.274 84 H ASN 11 H ASN 11 -0.654 10.405 2.917 85 HA ASN 11 HA ASN 11 -2.728 10.844 4.908 86 1HB ASN 11 1HB ASN 11 -1.709 12.566 3.387 87 2HB ASN 11 2HB ASN 11 -2.621 11.854 2.059 88 1HD2 ASN 11 1HD2 ASN 11 -3.035 14.379 2.491 89 2HD2 ASN 11 2HD2 ASN 11 -4.462 14.771 3.469 90 H PHE 12 H PHE 12 -2.988 8.232 4.591 91 HA PHE 12 HA PHE 12 -4.465 7.357 2.330 92 1HB PHE 12 1HB PHE 12 -3.840 6.217 5.048 93 2HB PHE 12 2HB PHE 12 -5.018 5.430 4.029 94 HD1 PHE 12 HD1 PHE 12 -1.518 5.805 4.654 95 HD2 PHE 12 HD2 PHE 12 -4.368 4.850 1.585 96 HE1 PHE 12 HE1 PHE 12 0.273 4.649 3.355 97 HE2 PHE 12 HE2 PHE 12 -2.574 3.725 0.274 98 HZ PHE 12 HZ PHE 12 -0.256 3.623 1.177 99 H GLY 13 H GLY 13 -5.631 8.806 5.364 100 1HA GLY 13 1HA GLY 13 -7.800 9.384 5.979 101 2HA GLY 13 2HA GLY 13 -8.283 7.856 5.249 102 H LYS 14 H LYS 14 -6.851 10.771 3.661 103 HA LYS 14 HA LYS 14 -9.206 11.651 2.288 104 1HB LYS 14 1HB LYS 14 -6.229 11.974 1.982 105 2HB LYS 14 2HB LYS 14 -7.188 12.316 0.565 106 1HG LYS 14 1HG LYS 14 -7.671 13.670 3.240 107 2HG LYS 14 2HG LYS 14 -6.606 14.291 1.974 108 1HD LYS 14 1HD LYS 14 -8.613 14.218 0.370 109 2HD LYS 14 2HD LYS 14 -9.611 13.887 1.792 110 1HE LYS 14 1HE LYS 14 -8.418 15.984 2.837 111 2HE LYS 14 2HE LYS 14 -7.928 16.341 1.170 112 1HZ LYS 14 1HZ LYS 14 -10.284 16.403 0.584 113 2HZ LYS 14 2HZ LYS 14 -10.711 16.088 2.145 114 3HZ LYS 14 3HZ LYS 14 -9.961 17.498 1.742 115 H ALA 15 H ALA 15 -6.512 9.542 1.157 116 HA ALA 15 HA ALA 15 -7.643 9.129 -1.398 117 1HB ALA 15 1HB ALA 15 -5.867 7.174 0.135 118 2HB ALA 15 2HB ALA 15 -5.996 7.382 -1.636 119 3HB ALA 15 3HB ALA 15 -5.260 8.646 -0.628 120 H LEU 16 H LEU 16 -8.136 7.224 1.627 121 HA LEU 16 HA LEU 16 -9.760 5.142 0.469 122 1HB LEU 16 1HB LEU 16 -9.280 6.235 3.236 123 2HB LEU 16 2HB LEU 16 -10.771 5.348 2.988 124 HG LEU 16 HG LEU 16 -8.308 4.056 1.894 125 1HD1 LEU 16 1HD1 LEU 16 -8.888 4.302 4.863 126 2HD1 LEU 16 2HD1 LEU 16 -7.886 3.040 4.135 127 3HD1 LEU 16 3HD1 LEU 16 -7.406 4.749 3.989 128 1HD2 LEU 16 1HD2 LEU 16 -10.614 2.914 1.795 129 2HD2 LEU 16 2HD2 LEU 16 -9.346 2.011 2.633 130 3HD2 LEU 16 3HD2 LEU 16 -10.572 2.848 3.565 131 H ASP 17 H ASP 17 -10.549 8.381 1.886 132 HA ASP 17 HA ASP 17 -13.357 8.172 1.721 133 1HB ASP 17 1HB ASP 17 -11.842 10.038 2.769 134 2HB ASP 17 2HB ASP 17 -11.753 10.693 1.159 135 H GLU 18 H GLU 18 -11.040 8.491 -0.840 136 HA GLU 18 HA GLU 18 -13.157 9.204 -2.784 137 1HB GLU 18 1HB GLU 18 -10.144 8.819 -3.193 138 2HB GLU 18 2HB GLU 18 -11.293 9.413 -4.382 139 1HG GLU 18 1HG GLU 18 -11.438 11.036 -1.954 140 2HG GLU 18 2HG GLU 18 -9.786 10.970 -2.538 141 H CYS 19 H CYS 19 -10.674 6.609 -2.310 142 HA CYS 19 HA CYS 19 -11.561 4.918 -4.343 143 1HB CYS 19 1HB CYS 19 -10.110 4.595 -1.721 144 2HB CYS 19 2HB CYS 19 -10.686 3.151 -2.519 145 H LYS 20 H LYS 20 -12.807 5.208 -1.005 146 HA LYS 20 HA LYS 20 -14.489 2.939 -1.036 147 1HB LYS 20 1HB LYS 20 -15.466 3.896 0.877 148 2HB LYS 20 2HB LYS 20 -13.738 4.302 0.919 149 1HG LYS 20 1HG LYS 20 -14.358 6.284 1.551 150 2HG LYS 20 2HG LYS 20 -14.679 6.583 -0.151 151 1HD LYS 20 1HD LYS 20 -16.557 7.312 1.102 152 2HD LYS 20 2HD LYS 20 -17.076 5.800 0.311 153 1HE LYS 20 1HE LYS 20 -16.347 4.635 2.541 154 2HE LYS 20 2HE LYS 20 -16.118 6.248 3.208 155 1HZ LYS 20 1HZ LYS 20 -18.554 6.564 2.582 156 2HZ LYS 20 2HZ LYS 20 -18.610 4.930 2.432 157 3HZ LYS 20 3HZ LYS 20 -18.187 5.594 3.891 158 H LYS 21 H LYS 21 -14.892 6.233 -2.401 159 HA LYS 21 HA LYS 21 -17.713 5.726 -2.820 160 1HB LYS 21 1HB LYS 21 -15.949 8.045 -3.733 161 2HB LYS 21 2HB LYS 21 -17.712 7.960 -3.894 162 1HG LYS 21 1HG LYS 21 -17.910 7.728 -1.389 163 2HG LYS 21 2HG LYS 21 -16.164 7.807 -1.273 164 1HD LYS 21 1HD LYS 21 -16.122 10.041 -2.154 165 2HD LYS 21 2HD LYS 21 -17.890 10.102 -2.224 166 1HE LYS 21 1HE LYS 21 -18.086 10.253 0.094 167 2HE LYS 21 2HE LYS 21 -16.728 9.140 0.347 168 1HZ LYS 21 1HZ LYS 21 -15.259 10.927 -0.355 169 2HZ LYS 21 2HZ LYS 21 -16.549 11.993 -0.218 170 3HZ LYS 21 3HZ LYS 21 -15.940 11.136 1.084 171 H GLU 22 H GLU 22 -14.652 5.838 -4.709 172 HA GLU 22 HA GLU 22 -15.728 5.467 -7.263 173 1HB GLU 22 1HB GLU 22 -13.056 4.335 -6.333 174 2HB GLU 22 2HB GLU 22 -13.579 4.655 -7.987 175 1HG GLU 22 1HG GLU 22 -13.922 7.141 -6.850 176 2HG GLU 22 2HG GLU 22 -12.561 6.527 -5.919 177 H MET 23 H MET 23 -14.584 2.842 -5.039 178 HA MET 23 HA MET 23 -15.787 0.870 -6.863 179 1HB MET 23 1HB MET 23 -14.815 -0.318 -4.440 180 2HB MET 23 2HB MET 23 -14.386 -0.617 -6.063 181 1HG MET 23 1HG MET 23 -12.860 1.467 -5.873 182 2HG MET 23 2HG MET 23 -13.179 1.306 -4.123 183 1HE MET 23 1HE MET 23 -11.486 -0.022 -7.233 184 2HE MET 23 2HE MET 23 -10.615 -1.459 -6.690 185 3HE MET 23 3HE MET 23 -12.374 -1.539 -6.939 186 H THR 24 H THR 24 -17.141 2.792 -4.633 187 HA THR 24 HA THR 24 -18.680 2.793 -3.075 188 HB THR 24 HB THR 24 -19.807 2.380 -5.273 189 HG1 THR 24 HG1 THR 24 -20.959 3.213 -3.760 190 1HG2 THR 24 1HG2 THR 24 -20.185 -0.377 -4.144 191 2HG2 THR 24 2HG2 THR 24 -21.277 0.332 -5.364 192 3HG2 THR 24 3HG2 THR 24 -19.565 0.092 -5.731 193 H LEU 25 H LEU 25 -16.533 1.083 -2.448 194 HA LEU 25 HA LEU 25 -17.218 -1.334 -1.124 195 1HB LEU 25 1HB LEU 25 -15.084 0.398 0.189 196 2HB LEU 25 2HB LEU 25 -15.200 -1.307 0.070 197 HG LEU 25 HG LEU 25 -14.625 0.343 -2.419 198 1HD1 LEU 25 1HD1 LEU 25 -12.942 0.891 -0.681 199 2HD1 LEU 25 2HD1 LEU 25 -12.631 -0.839 -0.432 200 3HD1 LEU 25 3HD1 LEU 25 -12.240 -0.076 -1.988 201 1HD2 LEU 25 1HD2 LEU 25 -15.314 -2.057 -2.692 202 2HD2 LEU 25 2HD2 LEU 25 -13.637 -1.756 -3.190 203 3HD2 LEU 25 3HD2 LEU 25 -13.962 -2.528 -1.631 204 H THR 26 H THR 26 -17.054 -1.635 1.291 205 HA THR 26 HA THR 26 -19.102 -0.114 2.627 206 HB THR 26 HB THR 26 -18.283 -1.449 4.700 207 HG1 THR 26 HG1 THR 26 -16.292 -2.031 3.157 208 1HG2 THR 26 1HG2 THR 26 -19.273 -2.750 2.142 209 2HG2 THR 26 2HG2 THR 26 -19.339 -3.530 3.729 210 3HG2 THR 26 3HG2 THR 26 -20.258 -2.045 3.438 211 H ASP 27 H ASP 27 -18.699 0.812 4.969 212 HA ASP 27 HA ASP 27 -16.802 3.015 4.534 213 1HB ASP 27 1HB ASP 27 -19.183 3.230 5.371 214 2HB ASP 27 2HB ASP 27 -18.644 2.498 6.885 215 H ALA 28 H ALA 28 -17.020 0.066 6.330 216 HA ALA 28 HA ALA 28 -15.455 0.419 8.553 217 1HB ALA 28 1HB ALA 28 -16.788 -1.632 8.056 218 2HB ALA 28 2HB ALA 28 -15.131 -2.036 8.524 219 3HB ALA 28 3HB ALA 28 -15.610 -2.102 6.818 220 H ILE 29 H ILE 29 -14.282 -0.489 5.362 221 HA ILE 29 HA ILE 29 -11.678 -1.072 5.245 222 HB ILE 29 HB ILE 29 -12.973 1.158 3.740 223 1HG1 ILE 29 1HG1 ILE 29 -14.744 -0.445 3.913 224 2HG1 ILE 29 2HG1 ILE 29 -14.171 -0.372 2.266 225 1HG2 ILE 29 1HG2 ILE 29 -10.771 0.548 2.978 226 2HG2 ILE 29 2HG2 ILE 29 -11.230 -1.104 2.754 227 3HG2 ILE 29 3HG2 ILE 29 -12.029 0.167 1.746 228 1HD1 ILE 29 1HD1 ILE 29 -13.139 -2.475 4.185 229 2HD1 ILE 29 2HD1 ILE 29 -14.488 -2.747 3.042 230 3HD1 ILE 29 3HD1 ILE 29 -12.869 -2.345 2.441 231 H ASN 30 H ASN 30 -13.075 2.029 5.784 232 HA ASN 30 HA ASN 30 -10.832 3.754 5.762 233 1HB ASN 30 1HB ASN 30 -13.153 4.537 6.289 234 2HB ASN 30 2HB ASN 30 -12.969 3.833 7.904 235 1HD2 ASN 30 1HD2 ASN 30 -11.411 6.204 5.672 236 2HD2 ASN 30 2HD2 ASN 30 -10.753 7.189 6.972 237 H GLU 31 H GLU 31 -11.795 1.604 8.383 238 HA GLU 31 HA GLU 31 -9.262 2.100 9.889 239 1HB GLU 31 1HB GLU 31 -12.043 1.211 10.642 240 2HB GLU 31 2HB GLU 31 -10.667 0.622 11.574 241 1HG GLU 31 1HG GLU 31 -10.915 3.598 11.062 242 2HG GLU 31 2HG GLU 31 -11.902 2.826 12.306 243 H ASP 32 H ASP 32 -11.347 -0.410 8.372 244 HA ASP 32 HA ASP 32 -9.941 -2.617 9.337 245 1HB ASP 32 1HB ASP 32 -12.180 -2.708 8.384 246 2HB ASP 32 2HB ASP 32 -11.520 -2.421 6.776 247 H PHE 33 H PHE 33 -9.186 -0.581 6.578 248 HA PHE 33 HA PHE 33 -7.136 -2.149 5.320 249 1HB PHE 33 1HB PHE 33 -8.201 -0.192 4.307 250 2HB PHE 33 2HB PHE 33 -7.665 0.824 5.629 251 HD1 PHE 33 HD1 PHE 33 -6.084 2.378 5.040 252 HD2 PHE 33 HD2 PHE 33 -5.746 -1.603 3.413 253 HE1 PHE 33 HE1 PHE 33 -4.124 3.075 3.773 254 HE2 PHE 33 HE2 PHE 33 -3.642 -0.906 2.285 255 HZ PHE 33 HZ PHE 33 -2.887 1.445 2.349 256 H TYR 34 H TYR 34 -7.148 0.196 7.960 257 HA TYR 34 HA TYR 34 -4.297 0.170 8.434 258 1HB TYR 34 1HB TYR 34 -6.587 1.111 10.192 259 2HB TYR 34 2HB TYR 34 -4.899 1.226 10.584 260 HD1 TYR 34 HD1 TYR 34 -7.105 2.087 7.612 261 HD2 TYR 34 HD2 TYR 34 -4.016 3.343 10.311 262 HE1 TYR 34 HE1 TYR 34 -7.069 4.233 6.473 263 HE2 TYR 34 HE2 TYR 34 -3.966 5.578 9.200 264 HH TYR 34 HH TYR 34 -6.272 6.758 7.666 265 H ASN 35 H ASN 35 -7.131 -1.451 9.707 266 HA ASN 35 HA ASN 35 -5.966 -2.997 11.746 267 1HB ASN 35 1HB ASN 35 -8.392 -3.727 10.090 268 2HB ASN 35 2HB ASN 35 -7.861 -4.550 11.516 269 1HD2 ASN 35 1HD2 ASN 35 -10.256 -3.920 11.981 270 2HD2 ASN 35 2HD2 ASN 35 -10.378 -2.519 13.037 271 H PHE 36 H PHE 36 -6.031 -3.659 8.229 272 HA PHE 36 HA PHE 36 -5.152 -6.357 8.421 273 1HB PHE 36 1HB PHE 36 -5.977 -5.505 6.332 274 2HB PHE 36 2HB PHE 36 -4.818 -4.201 6.321 275 HD1 PHE 36 HD1 PHE 36 -4.518 -8.001 6.495 276 HD2 PHE 36 HD2 PHE 36 -3.293 -4.309 4.617 277 HE1 PHE 36 HE1 PHE 36 -3.049 -9.254 4.971 278 HE2 PHE 36 HE2 PHE 36 -1.822 -5.587 3.094 279 HZ PHE 36 HZ PHE 36 -1.696 -8.068 3.268 280 H TRP 37 H TRP 37 -3.402 -3.385 9.178 281 HA TRP 37 HA TRP 37 -0.805 -4.778 9.067 282 1HB TRP 37 1HB TRP 37 -1.276 -2.072 10.272 283 2HB TRP 37 2HB TRP 37 0.166 -2.729 9.522 284 HD1 TRP 37 HD1 TRP 37 -1.332 -3.571 6.737 285 HE1 TRP 37 HE1 TRP 37 -2.227 -1.795 5.151 286 HE3 TRP 37 HE3 TRP 37 -1.174 0.441 9.878 287 HZ2 TRP 37 HZ2 TRP 37 -3.062 0.942 5.336 288 HZ3 TRP 37 HZ3 TRP 37 -2.075 2.639 9.165 289 HH2 TRP 37 HH2 TRP 37 -3.096 2.897 6.905 290 H LYS 38 H LYS 38 -3.421 -4.466 11.365 291 HA LYS 38 HA LYS 38 -1.801 -4.423 13.759 292 1HB LYS 38 1HB LYS 38 -4.642 -5.434 13.251 293 2HB LYS 38 2HB LYS 38 -3.915 -5.332 14.845 294 1HG LYS 38 1HG LYS 38 -3.657 -2.899 14.612 295 2HG LYS 38 2HG LYS 38 -4.278 -2.956 12.972 296 1HD LYS 38 1HD LYS 38 -6.424 -3.926 13.841 297 2HD LYS 38 2HD LYS 38 -5.840 -3.687 15.482 298 1HE LYS 38 1HE LYS 38 -6.016 -1.433 13.444 299 2HE LYS 38 2HE LYS 38 -7.364 -1.860 14.496 300 1HZ LYS 38 1HZ LYS 38 -4.910 -1.349 15.908 301 2HZ LYS 38 2HZ LYS 38 -5.555 -0.057 15.100 302 3HZ LYS 38 3HZ LYS 38 -6.452 -0.889 16.207 303 H GLU 39 H GLU 39 -1.587 -6.245 15.158 304 HA GLU 39 HA GLU 39 -0.958 -8.714 13.620 305 1HB GLU 39 1HB GLU 39 0.235 -7.666 16.222 306 2HB GLU 39 2HB GLU 39 0.575 -9.228 15.462 307 1HG GLU 39 1HG GLU 39 2.320 -7.960 14.630 308 2HG GLU 39 2HG GLU 39 1.102 -7.995 13.355 309 H GLY 40 H GLY 40 -1.378 -10.589 14.492 310 1HA GLY 40 1HA GLY 40 -3.297 -11.114 16.639 311 2HA GLY 40 2HA GLY 40 -2.939 -12.202 15.283 312 H TYR 41 H TYR 41 -3.553 -10.551 13.108 313 HA TYR 41 HA TYR 41 -6.455 -10.038 13.272 314 1HB TYR 41 1HB TYR 41 -4.249 -8.118 13.061 315 2HB TYR 41 2HB TYR 41 -5.312 -8.043 11.682 316 HD1 TYR 41 HD1 TYR 41 -7.363 -6.876 11.863 317 HD2 TYR 41 HD2 TYR 41 -5.238 -7.995 15.406 318 HE1 TYR 41 HE1 TYR 41 -9.063 -5.709 13.203 319 HE2 TYR 41 HE2 TYR 41 -6.811 -6.685 16.781 320 HH TYR 41 HH TYR 41 -9.883 -5.476 15.374 321 H GLU 42 H GLU 42 -7.014 -11.716 11.966 322 HA GLU 42 HA GLU 42 -5.531 -12.268 9.488 323 1HB GLU 42 1HB GLU 42 -6.323 -14.086 10.993 324 2HB GLU 42 2HB GLU 42 -8.005 -13.633 10.662 325 1HG GLU 42 1HG GLU 42 -7.648 -14.134 8.250 326 2HG GLU 42 2HG GLU 42 -5.934 -14.396 8.572 327 H ILE 43 H ILE 43 -6.081 -9.903 8.852 328 HA ILE 43 HA ILE 43 -8.842 -9.504 7.904 329 HB ILE 43 HB ILE 43 -6.463 -7.766 7.476 330 1HG1 ILE 43 1HG1 ILE 43 -6.923 -7.716 9.781 331 2HG1 ILE 43 2HG1 ILE 43 -7.768 -6.345 9.100 332 1HG2 ILE 43 1HG2 ILE 43 -9.430 -7.367 6.900 333 2HG2 ILE 43 2HG2 ILE 43 -8.235 -6.076 6.931 334 3HG2 ILE 43 3HG2 ILE 43 -8.094 -7.360 5.724 335 1HD1 ILE 43 1HD1 ILE 43 -9.910 -7.631 9.152 336 2HD1 ILE 43 2HD1 ILE 43 -9.043 -8.886 10.080 337 3HD1 ILE 43 3HD1 ILE 43 -9.205 -7.247 10.724 338 H LYS 44 H LYS 44 -9.271 -11.137 6.322 339 HA LYS 44 HA LYS 44 -7.679 -10.900 3.848 340 1HB LYS 44 1HB LYS 44 -8.822 -13.427 5.084 341 2HB LYS 44 2HB LYS 44 -8.055 -13.304 3.522 342 1HG LYS 44 1HG LYS 44 -6.676 -12.678 6.169 343 2HG LYS 44 2HG LYS 44 -6.550 -14.202 5.318 344 1HD LYS 44 1HD LYS 44 -5.170 -13.362 3.652 345 2HD LYS 44 2HD LYS 44 -5.786 -11.725 3.772 346 1HE LYS 44 1HE LYS 44 -3.584 -11.646 4.589 347 2HE LYS 44 2HE LYS 44 -4.663 -11.444 5.971 348 1HZ LYS 44 1HZ LYS 44 -4.289 -13.849 6.437 349 2HZ LYS 44 2HZ LYS 44 -3.220 -13.923 5.206 350 3HZ LYS 44 3HZ LYS 44 -2.934 -12.965 6.530 351 H ASN 45 H ASN 45 -10.201 -9.543 4.822 352 HA ASN 45 HA ASN 45 -12.301 -10.569 3.102 353 1HB ASN 45 1HB ASN 45 -13.295 -9.243 4.692 354 2HB ASN 45 2HB ASN 45 -11.948 -8.074 4.718 355 1HD2 ASN 45 1HD2 ASN 45 -15.004 -8.801 3.004 356 2HD2 ASN 45 2HD2 ASN 45 -14.901 -7.678 1.783 357 H ARG 46 H ARG 46 -13.004 -9.670 1.304 358 HA ARG 46 HA ARG 46 -11.121 -9.438 -0.840 359 1HB ARG 46 1HB ARG 46 -14.061 -8.633 -0.968 360 2HB ARG 46 2HB ARG 46 -13.042 -9.266 -2.255 361 1HG ARG 46 1HG ARG 46 -13.009 -11.460 -1.179 362 2HG ARG 46 2HG ARG 46 -13.881 -10.859 0.224 363 1HD ARG 46 1HD ARG 46 -15.866 -10.559 -0.824 364 2HD ARG 46 2HD ARG 46 -15.156 -10.490 -2.459 365 HE ARG 46 HE ARG 46 -14.420 -12.965 -1.620 366 1HH1 ARG 46 1HH1 ARG 46 -15.389 -14.852 -2.206 367 2HH1 ARG 46 2HH1 ARG 46 -17.046 -14.887 -2.724 368 1HH2 ARG 46 1HH2 ARG 46 -17.635 -11.460 -2.024 369 2HH2 ARG 46 2HH2 ARG 46 -18.351 -12.991 -2.418 370 H GLU 47 H GLU 47 -13.220 -7.080 0.843 371 HA GLU 47 HA GLU 47 -12.848 -4.973 -1.062 372 1HB GLU 47 1HB GLU 47 -14.227 -5.363 1.598 373 2HB GLU 47 2HB GLU 47 -13.936 -3.715 0.966 374 1HG GLU 47 1HG GLU 47 -15.150 -4.308 -1.081 375 2HG GLU 47 2HG GLU 47 -15.372 -5.945 -0.484 376 H THR 48 H THR 48 -11.186 -5.884 2.029 377 HA THR 48 HA THR 48 -9.677 -3.503 2.162 378 HB THR 48 HB THR 48 -8.572 -6.173 3.042 379 HG1 THR 48 HG1 THR 48 -10.172 -5.379 4.963 380 1HG2 THR 48 1HG2 THR 48 -7.359 -4.060 3.522 381 2HG2 THR 48 2HG2 THR 48 -8.799 -3.438 4.374 382 3HG2 THR 48 3HG2 THR 48 -7.917 -4.840 5.011 383 H GLY 49 H GLY 49 -9.178 -6.554 0.422 384 1HA GLY 49 1HA GLY 49 -7.899 -7.067 -1.428 385 2HA GLY 49 2HA GLY 49 -6.674 -5.924 -0.847 386 H CYS 50 H CYS 50 -10.126 -5.289 -1.779 387 HA CYS 50 HA CYS 50 -9.561 -4.046 -4.265 388 1HB CYS 50 1HB CYS 50 -11.814 -3.358 -2.340 389 2HB CYS 50 2HB CYS 50 -11.694 -2.947 -4.022 390 H ALA 51 H ALA 51 -9.820 -2.677 -0.935 391 HA ALA 51 HA ALA 51 -9.427 0.013 -1.646 392 1HB ALA 51 1HB ALA 51 -8.792 0.381 0.690 393 2HB ALA 51 2HB ALA 51 -8.495 -1.350 0.927 394 3HB ALA 51 3HB ALA 51 -10.141 -0.773 0.601 395 H ILE 52 H ILE 52 -6.901 -2.483 -0.743 396 HA ILE 52 HA ILE 52 -4.694 -0.811 -1.170 397 HB ILE 52 HB ILE 52 -5.102 -3.813 -1.425 398 1HG1 ILE 52 1HG1 ILE 52 -3.694 -2.081 0.610 399 2HG1 ILE 52 2HG1 ILE 52 -5.373 -2.535 0.805 400 1HG2 ILE 52 1HG2 ILE 52 -2.493 -2.214 -1.542 401 2HG2 ILE 52 2HG2 ILE 52 -2.558 -3.956 -1.303 402 3HG2 ILE 52 3HG2 ILE 52 -3.131 -3.253 -2.820 403 1HD1 ILE 52 1HD1 ILE 52 -3.035 -4.465 0.852 404 2HD1 ILE 52 2HD1 ILE 52 -4.004 -3.901 2.221 405 3HD1 ILE 52 3HD1 ILE 52 -4.763 -4.902 0.976 406 H MET 53 H MET 53 -6.344 -2.969 -3.573 407 HA MET 53 HA MET 53 -4.764 -2.308 -5.780 408 1HB MET 53 1HB MET 53 -6.323 -4.167 -5.684 409 2HB MET 53 2HB MET 53 -7.681 -3.098 -5.539 410 1HG MET 53 1HG MET 53 -5.963 -2.648 -7.937 411 2HG MET 53 2HG MET 53 -6.725 -4.228 -7.842 412 1HE MET 53 1HE MET 53 -9.208 -4.709 -7.732 413 2HE MET 53 2HE MET 53 -9.665 -3.577 -6.429 414 3HE MET 53 3HE MET 53 -10.513 -3.531 -7.976 415 H CYS 54 H CYS 54 -7.825 -0.601 -4.761 416 HA CYS 54 HA CYS 54 -7.622 1.347 -6.885 417 1HB CYS 54 1HB CYS 54 -9.701 0.905 -5.898 418 2HB CYS 54 2HB CYS 54 -9.137 1.249 -4.257 419 H LEU 55 H LEU 55 -6.347 1.227 -3.538 420 HA LEU 55 HA LEU 55 -5.457 3.965 -3.608 421 1HB LEU 55 1HB LEU 55 -4.694 1.546 -1.916 422 2HB LEU 55 2HB LEU 55 -3.911 3.099 -1.709 423 HG LEU 55 HG LEU 55 -6.942 2.754 -1.506 424 1HD1 LEU 55 1HD1 LEU 55 -4.825 2.778 0.678 425 2HD1 LEU 55 2HD1 LEU 55 -6.574 2.913 0.955 426 3HD1 LEU 55 3HD1 LEU 55 -5.894 1.443 0.253 427 1HD2 LEU 55 1HD2 LEU 55 -5.045 5.027 -0.882 428 2HD2 LEU 55 2HD2 LEU 55 -6.336 4.987 -2.095 429 3HD2 LEU 55 3HD2 LEU 55 -6.763 4.963 -0.377 430 H SER 56 H SER 56 -4.246 1.098 -5.074 431 HA SER 56 HA SER 56 -1.528 1.823 -5.340 432 1HB SER 56 1HB SER 56 -3.021 0.121 -7.206 433 2HB SER 56 2HB SER 56 -1.309 0.111 -6.849 434 HG SER 56 HG SER 56 -3.242 -0.472 -4.873 435 H THR 57 H THR 57 -4.376 3.229 -6.723 436 HA THR 57 HA THR 57 -2.713 4.506 -8.848 437 HB THR 57 HB THR 57 -4.191 2.966 -9.837 438 HG1 THR 57 HG1 THR 57 -5.581 4.270 -11.040 439 1HG2 THR 57 1HG2 THR 57 -6.481 4.195 -8.275 440 2HG2 THR 57 2HG2 THR 57 -6.677 3.066 -9.624 441 3HG2 THR 57 3HG2 THR 57 -5.852 2.518 -8.191 442 H LYS 58 H LYS 58 -3.342 5.200 -5.981 443 HA LYS 58 HA LYS 58 -4.511 7.950 -6.383 444 1HB LYS 58 1HB LYS 58 -4.854 5.936 -4.141 445 2HB LYS 58 2HB LYS 58 -5.325 7.608 -3.949 446 1HG LYS 58 1HG LYS 58 -6.420 6.301 -6.391 447 2HG LYS 58 2HG LYS 58 -7.011 5.687 -4.851 448 1HD LYS 58 1HD LYS 58 -7.714 7.881 -4.160 449 2HD LYS 58 2HD LYS 58 -7.053 8.585 -5.654 450 1HE LYS 58 1HE LYS 58 -9.019 6.293 -5.831 451 2HE LYS 58 2HE LYS 58 -9.629 7.887 -5.420 452 1HZ LYS 58 1HZ LYS 58 -8.035 7.388 -7.870 453 2HZ LYS 58 2HZ LYS 58 -9.659 7.327 -7.802 454 3HZ LYS 58 3HZ LYS 58 -8.886 8.751 -7.466 455 H LEU 59 H LEU 59 -1.570 7.071 -6.339 456 HA LEU 59 HA LEU 59 -0.377 7.741 -3.882 457 1HB LEU 59 1HB LEU 59 0.878 8.408 -6.528 458 2HB LEU 59 2HB LEU 59 1.667 7.919 -5.051 459 HG LEU 59 HG LEU 59 -0.033 6.149 -6.864 460 1HD1 LEU 59 1HD1 LEU 59 2.088 6.866 -7.894 461 2HD1 LEU 59 2HD1 LEU 59 2.991 6.174 -6.534 462 3HD1 LEU 59 3HD1 LEU 59 2.036 5.129 -7.601 463 1HD2 LEU 59 1HD2 LEU 59 -0.036 5.355 -4.488 464 2HD2 LEU 59 2HD2 LEU 59 0.782 4.238 -5.589 465 3HD2 LEU 59 3HD2 LEU 59 1.757 5.298 -4.562 466 H ASN 60 H ASN 60 -1.579 9.968 -6.407 467 HA ASN 60 HA ASN 60 -0.419 12.341 -5.385 468 1HB ASN 60 1HB ASN 60 -1.886 13.503 -6.773 469 2HB ASN 60 2HB ASN 60 -1.645 12.002 -7.634 470 1HD2 ASN 60 1HD2 ASN 60 -3.917 14.119 -6.027 471 2HD2 ASN 60 2HD2 ASN 60 -5.367 13.203 -6.295 472 H MET 61 H MET 61 -3.105 10.472 -4.176 473 HA MET 61 HA MET 61 -4.271 12.656 -2.588 474 1HB MET 61 1HB MET 61 -4.722 9.645 -2.561 475 2HB MET 61 2HB MET 61 -5.657 10.815 -1.655 476 1HG MET 61 1HG MET 61 -5.469 10.635 -4.689 477 2HG MET 61 2HG MET 61 -6.794 10.035 -3.688 478 1HE MET 61 1HE MET 61 -7.798 11.708 -1.765 479 2HE MET 61 2HE MET 61 -6.754 13.137 -1.622 480 3HE MET 61 3HE MET 61 -8.410 13.277 -2.259 481 H LEU 62 H LEU 62 -1.761 10.122 -2.275 482 HA LEU 62 HA LEU 62 -1.794 10.157 0.616 483 1HB LEU 62 1HB LEU 62 0.011 8.841 -1.462 484 2HB LEU 62 2HB LEU 62 -0.041 8.425 0.222 485 HG LEU 62 HG LEU 62 -2.379 8.151 -1.674 486 1HD1 LEU 62 1HD1 LEU 62 -0.473 6.701 -2.164 487 2HD1 LEU 62 2HD1 LEU 62 -0.641 5.950 -0.576 488 3HD1 LEU 62 3HD1 LEU 62 -1.963 5.836 -1.775 489 1HD2 LEU 62 1HD2 LEU 62 -2.039 7.195 1.183 490 2HD2 LEU 62 2HD2 LEU 62 -3.173 8.443 0.614 491 3HD2 LEU 62 3HD2 LEU 62 -3.383 6.767 0.096 492 H ASP 63 H ASP 63 0.541 10.942 -1.996 493 HA ASP 63 HA ASP 63 2.250 12.325 -0.038 494 1HB ASP 63 1HB ASP 63 3.232 10.695 -1.591 495 2HB ASP 63 2HB ASP 63 2.759 11.706 -2.967 496 HA PRO 64 HA PRO 64 0.128 16.067 -1.423 497 1HB PRO 64 1HB PRO 64 1.485 17.928 0.090 498 2HB PRO 64 2HB PRO 64 0.226 16.833 0.756 499 1HG PRO 64 1HG PRO 64 3.235 16.538 0.857 500 2HG PRO 64 2HG PRO 64 2.048 16.295 2.168 501 1HD PRO 64 1HD PRO 64 3.076 14.230 0.706 502 2HD PRO 64 2HD PRO 64 1.397 14.198 1.309 503 H GLU 65 H GLU 65 3.628 15.730 -1.484 504 HA GLU 65 HA GLU 65 4.109 18.018 -3.252 505 1HB GLU 65 1HB GLU 65 5.946 15.873 -2.101 506 2HB GLU 65 2HB GLU 65 6.449 17.298 -3.023 507 1HG GLU 65 1HG GLU 65 5.352 18.749 -1.260 508 2HG GLU 65 2HG GLU 65 5.023 17.297 -0.323 509 H GLY 66 H GLY 66 3.079 14.858 -3.551 510 1HA GLY 66 1HA GLY 66 3.155 14.889 -6.441 511 2HA GLY 66 2HA GLY 66 2.462 13.633 -5.380 512 H ASN 67 H ASN 67 5.264 13.661 -3.965 513 HA ASN 67 HA ASN 67 7.232 13.011 -5.941 514 1HB ASN 67 1HB ASN 67 7.015 12.884 -2.954 515 2HB ASN 67 2HB ASN 67 8.152 11.734 -3.617 516 1HD2 ASN 67 1HD2 ASN 67 7.435 15.146 -3.180 517 2HD2 ASN 67 2HD2 ASN 67 8.959 15.762 -3.790 518 H LEU 68 H LEU 68 4.874 11.026 -4.284 519 HA LEU 68 HA LEU 68 6.264 8.547 -4.871 520 1HB LEU 68 1HB LEU 68 4.944 8.938 -2.841 521 2HB LEU 68 2HB LEU 68 3.469 9.093 -3.800 522 HG LEU 68 HG LEU 68 3.578 6.759 -4.460 523 1HD1 LEU 68 1HD1 LEU 68 6.259 6.650 -3.047 524 2HD1 LEU 68 2HD1 LEU 68 5.320 5.217 -3.518 525 3HD1 LEU 68 3HD1 LEU 68 5.925 6.305 -4.758 526 1HD2 LEU 68 1HD2 LEU 68 4.072 7.287 -1.503 527 2HD2 LEU 68 2HD2 LEU 68 2.512 7.201 -2.370 528 3HD2 LEU 68 3HD2 LEU 68 3.509 5.745 -2.137 529 H HIS 69 H HIS 69 6.225 7.523 -6.800 530 HA HIS 69 HA HIS 69 3.974 7.964 -8.691 531 1HB HIS 69 1HB HIS 69 6.943 8.058 -9.131 532 2HB HIS 69 2HB HIS 69 5.823 7.975 -10.450 533 HD1 HIS 69 HD1 HIS 69 3.870 10.100 -10.251 534 HD2 HIS 69 HD2 HIS 69 7.785 10.522 -8.750 535 HE1 HIS 69 HE1 HIS 69 4.379 12.607 -10.217 536 H HIS 70 H HIS 70 4.105 6.503 -10.414 537 HA HIS 70 HA HIS 70 4.028 3.752 -9.446 538 1HB HIS 70 1HB HIS 70 2.256 4.439 -10.928 539 2HB HIS 70 2HB HIS 70 3.406 4.913 -12.169 540 HD1 HIS 70 HD1 HIS 70 4.735 2.824 -13.471 541 HD2 HIS 70 HD2 HIS 70 1.400 1.945 -11.032 542 HE1 HIS 70 HE1 HIS 70 3.994 0.494 -14.099 543 H GLY 71 H GLY 71 5.686 2.307 -9.564 544 1HA GLY 71 1HA GLY 71 7.549 1.983 -11.644 545 2HA GLY 71 2HA GLY 71 7.759 1.413 -9.985 546 H ASN 72 H ASN 72 7.573 4.393 -9.103 547 HA ASN 72 HA ASN 72 10.416 4.999 -9.411 548 1HB ASN 72 1HB ASN 72 9.315 6.125 -11.396 549 2HB ASN 72 2HB ASN 72 8.259 6.953 -10.308 550 1HD2 ASN 72 1HD2 ASN 72 8.975 9.063 -10.556 551 2HD2 ASN 72 2HD2 ASN 72 10.608 9.565 -10.112 552 H ALA 73 H ALA 73 9.028 4.060 -7.204 553 HA ALA 73 HA ALA 73 8.297 6.282 -5.449 554 1HB ALA 73 1HB ALA 73 7.170 4.052 -5.382 555 2HB ALA 73 2HB ALA 73 7.897 4.491 -3.823 556 3HB ALA 73 3HB ALA 73 8.705 3.316 -4.870 557 H MET 74 H MET 74 11.379 5.667 -6.472 558 HA MET 74 HA MET 74 12.648 4.606 -4.134 559 1HB MET 74 1HB MET 74 13.728 5.936 -6.670 560 2HB MET 74 2HB MET 74 14.712 5.145 -5.442 561 1HG MET 74 1HG MET 74 13.575 3.018 -5.846 562 2HG MET 74 2HG MET 74 12.542 3.766 -7.064 563 1HE MET 74 1HE MET 74 13.293 1.625 -8.506 564 2HE MET 74 2HE MET 74 14.968 1.324 -9.017 565 3HE MET 74 3HE MET 74 14.512 1.110 -7.308 566 H GLU 75 H GLU 75 12.260 7.814 -5.582 567 HA GLU 75 HA GLU 75 14.072 9.121 -3.726 568 1HB GLU 75 1HB GLU 75 12.095 10.004 -5.784 569 2HB GLU 75 2HB GLU 75 12.526 11.195 -4.559 570 1HG GLU 75 1HG GLU 75 14.689 9.636 -6.016 571 2HG GLU 75 2HG GLU 75 13.899 11.014 -6.792 572 H PHE 76 H PHE 76 10.512 8.633 -3.661 573 HA PHE 76 HA PHE 76 10.029 9.823 -1.123 574 1HB PHE 76 1HB PHE 76 8.182 9.314 -2.470 575 2HB PHE 76 2HB PHE 76 8.742 7.706 -2.854 576 HD1 PHE 76 HD1 PHE 76 7.142 9.779 -0.272 577 HD2 PHE 76 HD2 PHE 76 8.272 5.814 -1.473 578 HE1 PHE 76 HE1 PHE 76 5.711 8.790 1.583 579 HE2 PHE 76 HE2 PHE 76 6.738 4.842 0.284 580 HZ PHE 76 HZ PHE 76 5.496 6.340 1.785 581 H ALA 77 H ALA 77 10.977 6.425 -1.998 582 HA ALA 77 HA ALA 77 11.043 5.395 0.596 583 1HB ALA 77 1HB ALA 77 11.201 4.113 -1.579 584 2HB ALA 77 2HB ALA 77 12.331 3.582 -0.338 585 3HB ALA 77 3HB ALA 77 12.912 4.584 -1.668 586 H LYS 78 H LYS 78 13.680 7.001 -1.206 587 HA LYS 78 HA LYS 78 15.674 6.895 0.788 588 1HB LYS 78 1HB LYS 78 15.118 8.881 -1.425 589 2HB LYS 78 2HB LYS 78 16.525 8.998 -0.365 590 1HG LYS 78 1HG LYS 78 17.406 6.885 -1.139 591 2HG LYS 78 2HG LYS 78 15.923 6.501 -2.008 592 1HD LYS 78 1HD LYS 78 17.610 7.277 -3.588 593 2HD LYS 78 2HD LYS 78 16.267 8.419 -3.513 594 1HE LYS 78 1HE LYS 78 17.762 9.653 -1.709 595 2HE LYS 78 2HE LYS 78 19.076 8.680 -2.386 596 1HZ LYS 78 1HZ LYS 78 17.317 10.525 -3.896 597 2HZ LYS 78 2HZ LYS 78 18.859 10.860 -3.395 598 3HZ LYS 78 3HZ LYS 78 18.594 9.683 -4.515 599 H LYS 79 H LYS 79 12.826 9.054 0.686 600 HA LYS 79 HA LYS 79 13.911 10.921 2.640 601 1HB LYS 79 1HB LYS 79 11.011 10.268 2.060 602 2HB LYS 79 2HB LYS 79 11.622 11.565 3.073 603 1HG LYS 79 1HG LYS 79 12.913 12.471 1.059 604 2HG LYS 79 2HG LYS 79 11.971 11.329 0.066 605 1HD LYS 79 1HD LYS 79 9.894 12.262 1.024 606 2HD LYS 79 2HD LYS 79 10.859 13.432 1.945 607 1HE LYS 79 1HE LYS 79 11.608 14.535 -0.059 608 2HE LYS 79 2HE LYS 79 10.875 13.293 -1.095 609 1HZ LYS 79 1HZ LYS 79 9.247 14.906 0.765 610 2HZ LYS 79 2HZ LYS 79 9.562 15.429 -0.745 611 3HZ LYS 79 3HZ LYS 79 8.743 14.000 -0.484 612 H HIS 80 H HIS 80 12.615 7.616 2.838 613 HA HIS 80 HA HIS 80 12.353 7.887 5.771 614 1HB HIS 80 1HB HIS 80 11.438 5.771 3.833 615 2HB HIS 80 2HB HIS 80 11.149 5.751 5.577 616 HD1 HIS 80 HD1 HIS 80 8.883 6.066 3.054 617 HD2 HIS 80 HD2 HIS 80 10.317 8.973 5.746 618 HE1 HIS 80 HE1 HIS 80 7.062 7.821 3.286 619 H GLY 81 H GLY 81 14.663 7.252 3.539 620 1HA GLY 81 1HA GLY 81 16.361 5.956 5.563 621 2HA GLY 81 2HA GLY 81 16.842 6.844 4.105 622 H ALA 82 H ALA 82 14.683 5.011 2.726 623 HA ALA 82 HA ALA 82 16.248 2.488 2.512 624 1HB ALA 82 1HB ALA 82 13.536 3.374 1.478 625 2HB ALA 82 2HB ALA 82 14.327 1.878 0.959 626 3HB ALA 82 3HB ALA 82 13.890 2.104 2.665 627 H ASP 83 H ASP 83 17.860 2.387 0.939 628 HA ASP 83 HA ASP 83 18.075 4.581 -0.981 629 1HB ASP 83 1HB ASP 83 20.230 3.386 -1.546 630 2HB ASP 83 2HB ASP 83 20.108 3.999 0.056 631 H GLU 84 H GLU 84 19.240 3.372 -3.107 632 HA GLU 84 HA GLU 84 16.963 2.887 -4.690 633 1HB GLU 84 1HB GLU 84 19.809 2.197 -5.377 634 2HB GLU 84 2HB GLU 84 18.554 2.707 -6.507 635 1HG GLU 84 1HG GLU 84 19.911 4.412 -4.364 636 2HG GLU 84 2HG GLU 84 20.403 4.293 -6.042 637 H THR 85 H THR 85 19.391 0.717 -3.283 638 HA THR 85 HA THR 85 18.367 -1.684 -4.629 639 HB THR 85 HB THR 85 20.529 -1.101 -2.595 640 HG1 THR 85 HG1 THR 85 20.765 -2.791 -4.803 641 1HG2 THR 85 1HG2 THR 85 19.445 -3.880 -3.202 642 2HG2 THR 85 2HG2 THR 85 21.068 -3.553 -2.535 643 3HG2 THR 85 3HG2 THR 85 19.627 -3.096 -1.626 644 H MET 86 H MET 86 17.963 -0.145 -1.305 645 HA MET 86 HA MET 86 16.413 -2.258 -0.273 646 1HB MET 86 1HB MET 86 16.423 0.766 0.144 647 2HB MET 86 2HB MET 86 15.481 -0.328 1.082 648 1HG MET 86 1HG MET 86 17.780 -1.569 1.454 649 2HG MET 86 2HG MET 86 18.449 -0.013 1.000 650 1HE MET 86 1HE MET 86 19.600 -0.625 3.292 651 2HE MET 86 2HE MET 86 19.461 1.142 3.159 652 3HE MET 86 3HE MET 86 19.091 0.335 4.704 653 H ALA 87 H ALA 87 15.510 0.566 -2.344 654 HA ALA 87 HA ALA 87 12.744 -0.182 -2.532 655 1HB ALA 87 1HB ALA 87 14.523 1.275 -4.547 656 2HB ALA 87 2HB ALA 87 12.741 1.234 -4.538 657 3HB ALA 87 3HB ALA 87 13.607 2.029 -3.220 658 H GLN 88 H GLN 88 15.413 -0.864 -4.874 659 HA GLN 88 HA GLN 88 13.794 -2.454 -6.502 660 1HB GLN 88 1HB GLN 88 16.010 -1.443 -7.084 661 2HB GLN 88 2HB GLN 88 16.804 -2.693 -6.141 662 1HG GLN 88 1HG GLN 88 16.789 -3.135 -8.613 663 2HG GLN 88 2HG GLN 88 16.115 -4.419 -7.625 664 1HE2 GLN 88 1HE2 GLN 88 14.577 -1.374 -8.858 665 2HE2 GLN 88 2HE2 GLN 88 13.286 -2.189 -9.715 666 H GLN 89 H GLN 89 15.328 -3.398 -3.541 667 HA GLN 89 HA GLN 89 15.107 -6.248 -3.719 668 1HB GLN 89 1HB GLN 89 15.089 -4.214 -1.472 669 2HB GLN 89 2HB GLN 89 14.793 -5.878 -1.112 670 1HG GLN 89 1HG GLN 89 17.210 -5.474 -2.795 671 2HG GLN 89 2HG GLN 89 17.273 -4.638 -1.238 672 1HE2 GLN 89 1HE2 GLN 89 16.619 -7.823 -2.705 673 2HE2 GLN 89 2HE2 GLN 89 16.692 -8.750 -1.234 674 H LEU 90 H LEU 90 12.812 -3.671 -2.598 675 HA LEU 90 HA LEU 90 10.751 -5.629 -1.950 676 1HB LEU 90 1HB LEU 90 10.701 -2.600 -2.135 677 2HB LEU 90 2HB LEU 90 9.392 -3.588 -1.519 678 HG LEU 90 HG LEU 90 12.167 -3.295 -0.311 679 1HD1 LEU 90 1HD1 LEU 90 10.462 -1.367 -0.154 680 2HD1 LEU 90 2HD1 LEU 90 9.567 -2.372 0.973 681 3HD1 LEU 90 3HD1 LEU 90 11.252 -1.893 1.319 682 1HD2 LEU 90 1HD2 LEU 90 10.928 -5.566 0.146 683 2HD2 LEU 90 2HD2 LEU 90 11.666 -4.666 1.471 684 3HD2 LEU 90 3HD2 LEU 90 9.925 -4.571 1.233 685 H ILE 91 H ILE 91 11.363 -3.314 -4.607 686 HA ILE 91 HA ILE 91 8.918 -3.713 -6.010 687 HB ILE 91 HB ILE 91 11.723 -2.973 -6.845 688 1HG1 ILE 91 1HG1 ILE 91 9.415 -1.142 -7.308 689 2HG1 ILE 91 2HG1 ILE 91 9.706 -1.500 -5.611 690 1HG2 ILE 91 1HG2 ILE 91 9.316 -3.279 -8.665 691 2HG2 ILE 91 2HG2 ILE 91 10.710 -2.260 -9.061 692 3HG2 ILE 91 3HG2 ILE 91 10.932 -4.005 -8.857 693 1HD1 ILE 91 1HD1 ILE 91 11.842 -0.475 -7.519 694 2HD1 ILE 91 2HD1 ILE 91 10.852 0.540 -6.434 695 3HD1 ILE 91 3HD1 ILE 91 11.924 -0.661 -5.743 696 H ASP 92 H ASP 92 11.968 -5.627 -6.174 697 HA ASP 92 HA ASP 92 11.086 -7.435 -8.174 698 1HB ASP 92 1HB ASP 92 13.374 -7.228 -6.905 699 2HB ASP 92 2HB ASP 92 12.727 -8.356 -5.781 700 H ILE 93 H ILE 93 10.913 -7.618 -4.719 701 HA ILE 93 HA ILE 93 9.355 -9.927 -4.376 702 HB ILE 93 HB ILE 93 9.631 -7.424 -2.686 703 1HG1 ILE 93 1HG1 ILE 93 10.677 -10.252 -2.497 704 2HG1 ILE 93 2HG1 ILE 93 11.624 -8.884 -2.978 705 1HG2 ILE 93 1HG2 ILE 93 8.080 -9.917 -2.104 706 2HG2 ILE 93 2HG2 ILE 93 8.557 -8.711 -0.879 707 3HG2 ILE 93 3HG2 ILE 93 7.451 -8.265 -2.166 708 1HD1 ILE 93 1HD1 ILE 93 11.258 -7.877 -0.690 709 2HD1 ILE 93 2HD1 ILE 93 10.470 -9.408 -0.224 710 3HD1 ILE 93 3HD1 ILE 93 12.173 -9.403 -0.697 711 H VAL 94 H VAL 94 8.068 -6.598 -4.970 712 HA VAL 94 HA VAL 94 5.330 -7.290 -4.661 713 HB VAL 94 HB VAL 94 6.650 -5.246 -6.491 714 1HG1 VAL 94 1HG1 VAL 94 3.647 -5.582 -5.994 715 2HG1 VAL 94 2HG1 VAL 94 4.424 -4.122 -6.666 716 3HG1 VAL 94 3HG1 VAL 94 4.496 -5.620 -7.553 717 1HG2 VAL 94 1HG2 VAL 94 6.820 -4.898 -4.029 718 2HG2 VAL 94 2HG2 VAL 94 5.882 -3.667 -4.864 719 3HG2 VAL 94 3HG2 VAL 94 5.055 -4.947 -3.903 720 H HIS 95 H HIS 95 7.388 -7.503 -7.599 721 HA HIS 95 HA HIS 95 5.216 -8.645 -9.156 722 1HB HIS 95 1HB HIS 95 8.187 -8.593 -9.733 723 2HB HIS 95 2HB HIS 95 6.856 -8.815 -10.892 724 HD1 HIS 95 HD1 HIS 95 9.139 -6.277 -10.636 725 HD2 HIS 95 HD2 HIS 95 5.047 -6.285 -9.607 726 HE1 HIS 95 HE1 HIS 95 8.342 -3.866 -10.683 727 H GLY 96 H GLY 96 7.992 -9.888 -7.351 728 1HA GLY 96 1HA GLY 96 8.489 -11.935 -6.486 729 2HA GLY 96 2HA GLY 96 7.757 -12.676 -7.917 730 H CYS 97 H CYS 97 5.621 -10.602 -6.215 731 HA CYS 97 HA CYS 97 4.216 -12.895 -4.978 732 1HB CYS 97 1HB CYS 97 4.443 -9.973 -4.253 733 2HB CYS 97 2HB CYS 97 3.091 -10.952 -3.693 734 H GLU 98 H GLU 98 3.925 -10.420 -7.493 735 HA GLU 98 HA GLU 98 1.161 -10.775 -7.984 736 1HB GLU 98 1HB GLU 98 3.489 -10.486 -9.918 737 2HB GLU 98 2HB GLU 98 1.837 -10.677 -10.425 738 1HG GLU 98 1HG GLU 98 1.250 -8.646 -9.018 739 2HG GLU 98 2HG GLU 98 2.948 -8.440 -8.751 740 H LYS 99 H LYS 99 4.096 -12.466 -8.889 741 HA LYS 99 HA LYS 99 3.049 -14.401 -10.589 742 1HB LYS 99 1HB LYS 99 5.669 -14.130 -9.136 743 2HB LYS 99 2HB LYS 99 5.350 -15.447 -10.278 744 1HG LYS 99 1HG LYS 99 5.067 -14.011 -12.124 745 2HG LYS 99 2HG LYS 99 4.718 -12.606 -11.126 746 1HD LYS 99 1HD LYS 99 6.838 -12.219 -11.959 747 2HD LYS 99 2HD LYS 99 7.047 -12.674 -10.261 748 1HE LYS 99 1HE LYS 99 7.646 -14.988 -10.957 749 2HE LYS 99 2HE LYS 99 7.457 -14.508 -12.651 750 1HZ LYS 99 1HZ LYS 99 9.229 -12.856 -12.267 751 2HZ LYS 99 2HZ LYS 99 9.489 -13.481 -10.762 752 3HZ LYS 99 3HZ LYS 99 9.720 -14.399 -12.122 753 H SER 100 H SER 100 4.186 -14.819 -7.165 754 HA SER 100 HA SER 100 3.712 -17.626 -7.203 755 1HB SER 100 1HB SER 100 3.971 -17.407 -4.723 756 2HB SER 100 2HB SER 100 5.282 -16.674 -5.664 757 HG SER 100 HG SER 100 4.861 -15.150 -4.286 758 H THR 101 H THR 101 1.670 -14.842 -6.374 759 HA THR 101 HA THR 101 -0.411 -16.229 -5.049 760 HB THR 101 HB THR 101 -0.368 -13.612 -6.609 761 HG1 THR 101 HG1 THR 101 0.853 -13.153 -5.010 762 1HG2 THR 101 1HG2 THR 101 -2.703 -14.343 -6.160 763 2HG2 THR 101 2HG2 THR 101 -2.292 -14.511 -4.435 764 3HG2 THR 101 3HG2 THR 101 -2.222 -12.913 -5.233 765 HA PRO 102 HA PRO 102 -1.976 -18.285 -8.736 766 1HB PRO 102 1HB PRO 102 -4.436 -19.126 -7.868 767 2HB PRO 102 2HB PRO 102 -2.905 -19.895 -7.343 768 1HG PRO 102 1HG PRO 102 -4.512 -17.781 -5.887 769 2HG PRO 102 2HG PRO 102 -3.850 -19.314 -5.232 770 1HD PRO 102 1HD PRO 102 -2.565 -16.925 -4.933 771 2HD PRO 102 2HD PRO 102 -1.650 -18.441 -5.194 772 H ALA 103 H ALA 103 -3.419 -17.713 -10.405 773 HA ALA 103 HA ALA 103 -3.935 -14.879 -10.484 774 1HB ALA 103 1HB ALA 103 -4.433 -17.073 -12.553 775 2HB ALA 103 2HB ALA 103 -2.926 -16.162 -12.354 776 3HB ALA 103 3HB ALA 103 -4.408 -15.322 -12.852 777 H ASN 104 H ASN 104 -5.548 -15.035 -8.689 778 HA ASN 104 HA ASN 104 -8.055 -16.284 -8.935 779 1HB ASN 104 1HB ASN 104 -7.016 -15.044 -6.904 780 2HB ASN 104 2HB ASN 104 -7.750 -13.609 -7.521 781 1HD2 ASN 104 1HD2 ASN 104 -8.178 -16.130 -5.459 782 2HD2 ASN 104 2HD2 ASN 104 -9.949 -16.071 -5.415 783 H ASP 105 H ASP 105 -10.006 -15.722 -9.886 784 HA ASP 105 HA ASP 105 -10.173 -14.063 -12.089 785 1HB ASP 105 1HB ASP 105 -11.626 -15.968 -11.562 786 2HB ASP 105 2HB ASP 105 -12.246 -15.117 -10.142 787 H ASP 106 H ASP 106 -10.255 -13.314 -8.667 788 HA ASP 106 HA ASP 106 -11.751 -10.759 -9.126 789 1HB ASP 106 1HB ASP 106 -12.442 -12.547 -7.320 790 2HB ASP 106 2HB ASP 106 -11.044 -12.040 -6.493 791 H LYS 107 H LYS 107 -10.280 -9.054 -9.543 792 HA LYS 107 HA LYS 107 -7.542 -9.269 -9.069 793 1HB LYS 107 1HB LYS 107 -9.271 -7.408 -10.352 794 2HB LYS 107 2HB LYS 107 -8.598 -6.491 -9.015 795 1HG LYS 107 1HG LYS 107 -6.929 -6.141 -10.575 796 2HG LYS 107 2HG LYS 107 -6.298 -7.587 -9.777 797 1HD LYS 107 1HD LYS 107 -6.198 -8.406 -11.895 798 2HD LYS 107 2HD LYS 107 -7.888 -8.788 -11.663 799 1HE LYS 107 1HE LYS 107 -8.577 -6.665 -12.708 800 2HE LYS 107 2HE LYS 107 -6.892 -6.136 -12.816 801 1HZ LYS 107 1HZ LYS 107 -7.983 -8.495 -14.233 802 2HZ LYS 107 2HZ LYS 107 -7.686 -7.005 -14.908 803 3HZ LYS 107 3HZ LYS 107 -6.444 -7.886 -14.338 804 H CYS 108 H CYS 108 -10.143 -7.974 -7.054 805 HA CYS 108 HA CYS 108 -8.553 -6.675 -5.087 806 1HB CYS 108 1HB CYS 108 -11.185 -8.188 -4.758 807 2HB CYS 108 2HB CYS 108 -10.457 -7.096 -3.599 808 H ILE 109 H ILE 109 -9.766 -10.045 -5.201 809 HA ILE 109 HA ILE 109 -8.527 -10.808 -2.696 810 HB ILE 109 HB ILE 109 -9.843 -12.396 -4.967 811 1HG1 ILE 109 1HG1 ILE 109 -10.921 -11.380 -2.297 812 2HG1 ILE 109 2HG1 ILE 109 -11.313 -10.692 -3.864 813 1HG2 ILE 109 1HG2 ILE 109 -9.144 -13.328 -2.165 814 2HG2 ILE 109 2HG2 ILE 109 -10.085 -14.240 -3.375 815 3HG2 ILE 109 3HG2 ILE 109 -8.408 -13.862 -3.706 816 1HD1 ILE 109 1HD1 ILE 109 -12.243 -12.915 -4.567 817 2HD1 ILE 109 2HD1 ILE 109 -12.147 -13.396 -2.855 818 3HD1 ILE 109 3HD1 ILE 109 -13.142 -12.008 -3.352 819 H TRP 110 H TRP 110 -7.685 -11.239 -6.133 820 HA TRP 110 HA TRP 110 -5.222 -12.602 -5.776 821 1HB TRP 110 1HB TRP 110 -6.162 -12.250 -7.985 822 2HB TRP 110 2HB TRP 110 -6.088 -10.512 -7.804 823 HD1 TRP 110 HD1 TRP 110 -3.792 -13.551 -8.125 824 HE1 TRP 110 HE1 TRP 110 -1.437 -12.800 -8.943 825 HE3 TRP 110 HE3 TRP 110 -4.602 -8.530 -8.220 826 HZ2 TRP 110 HZ2 TRP 110 -0.230 -10.303 -9.764 827 HZ3 TRP 110 HZ3 TRP 110 -2.815 -6.974 -8.937 828 HH2 TRP 110 HH2 TRP 110 -0.648 -7.831 -9.683 829 H THR 111 H THR 111 -5.765 -9.017 -5.925 830 HA THR 111 HA THR 111 -3.241 -8.187 -5.208 831 HB THR 111 HB THR 111 -5.967 -6.919 -4.735 832 HG1 THR 111 HG1 THR 111 -5.645 -7.096 -6.812 833 1HG2 THR 111 1HG2 THR 111 -3.253 -5.807 -4.144 834 2HG2 THR 111 2HG2 THR 111 -4.399 -4.763 -5.003 835 3HG2 THR 111 3HG2 THR 111 -4.855 -5.423 -3.441 836 H LEU 112 H LEU 112 -5.899 -9.127 -2.894 837 HA LEU 112 HA LEU 112 -4.473 -8.416 -0.568 838 1HB LEU 112 1HB LEU 112 -6.856 -9.018 -0.813 839 2HB LEU 112 2HB LEU 112 -6.398 -10.714 -0.770 840 HG LEU 112 HG LEU 112 -5.764 -10.658 1.487 841 1HD1 LEU 112 1HD1 LEU 112 -5.443 -7.610 1.401 842 2HD1 LEU 112 2HD1 LEU 112 -5.361 -8.614 2.865 843 3HD1 LEU 112 3HD1 LEU 112 -4.138 -8.795 1.624 844 1HD2 LEU 112 1HD2 LEU 112 -7.773 -8.435 1.046 845 2HD2 LEU 112 2HD2 LEU 112 -8.146 -10.170 1.180 846 3HD2 LEU 112 3HD2 LEU 112 -7.561 -9.241 2.594 847 H GLY 113 H GLY 113 -4.533 -11.417 -2.428 848 1HA GLY 113 1HA GLY 113 -2.915 -13.024 -2.762 849 2HA GLY 113 2HA GLY 113 -2.674 -13.036 -1.006 850 H VAL 114 H VAL 114 -2.002 -10.777 -3.758 851 HA VAL 114 HA VAL 114 0.756 -10.894 -3.745 852 HB VAL 114 HB VAL 114 -0.905 -8.426 -4.382 853 1HG1 VAL 114 1HG1 VAL 114 1.530 -7.953 -4.274 854 2HG1 VAL 114 2HG1 VAL 114 1.830 -9.304 -5.384 855 3HG1 VAL 114 3HG1 VAL 114 0.929 -7.880 -5.930 856 1HG2 VAL 114 1HG2 VAL 114 -0.141 -10.813 -6.117 857 2HG2 VAL 114 2HG2 VAL 114 -1.773 -10.277 -5.710 858 3HG2 VAL 114 3HG2 VAL 114 -0.771 -9.273 -6.734 859 H ALA 115 H ALA 115 -1.241 -8.474 -1.926 860 HA ALA 115 HA ALA 115 1.058 -7.222 -0.777 861 1HB ALA 115 1HB ALA 115 -1.118 -6.086 -1.019 862 2HB ALA 115 2HB ALA 115 -0.535 -6.024 0.655 863 3HB ALA 115 3HB ALA 115 -1.821 -7.168 0.217 864 H THR 116 H THR 116 -0.907 -9.967 0.402 865 HA THR 116 HA THR 116 0.269 -9.911 3.071 866 HB THR 116 HB THR 116 -1.029 -12.268 1.637 867 HG1 THR 116 HG1 THR 116 -2.496 -10.630 1.619 868 1HG2 THR 116 1HG2 THR 116 -0.746 -11.550 4.597 869 2HG2 THR 116 2HG2 THR 116 -1.586 -12.971 3.935 870 3HG2 THR 116 3HG2 THR 116 0.162 -12.820 3.750 871 H CYS 117 H CYS 117 0.866 -11.667 -0.008 872 HA CYS 117 HA CYS 117 3.087 -13.207 0.752 873 1HB CYS 117 1HB CYS 117 1.944 -13.597 -1.300 874 2HB CYS 117 2HB CYS 117 2.243 -11.969 -1.879 875 H PHE 118 H PHE 118 3.040 -9.798 -0.623 876 HA PHE 118 HA PHE 118 5.729 -9.367 -0.573 877 1HB PHE 118 1HB PHE 118 4.112 -7.786 -1.474 878 2HB PHE 118 2HB PHE 118 3.495 -7.422 0.128 879 HD1 PHE 118 HD1 PHE 118 7.090 -7.715 0.205 880 HD2 PHE 118 HD2 PHE 118 3.953 -5.003 -0.851 881 HE1 PHE 118 HE1 PHE 118 8.650 -5.912 0.304 882 HE2 PHE 118 HE2 PHE 118 5.532 -3.108 -0.561 883 HZ PHE 118 HZ PHE 118 7.864 -3.524 0.022 884 H LYS 119 H LYS 119 3.635 -8.361 2.149 885 HA LYS 119 HA LYS 119 5.453 -7.748 4.065 886 1HB LYS 119 1HB LYS 119 2.773 -7.967 4.100 887 2HB LYS 119 2HB LYS 119 3.122 -9.501 4.875 888 1HG LYS 119 1HG LYS 119 3.065 -8.216 6.750 889 2HG LYS 119 2HG LYS 119 4.772 -7.987 6.314 890 1HD LYS 119 1HD LYS 119 4.081 -5.814 5.165 891 2HD LYS 119 2HD LYS 119 2.455 -6.096 5.808 892 1HE LYS 119 1HE LYS 119 3.171 -4.826 7.548 893 2HE LYS 119 2HE LYS 119 3.826 -6.373 8.118 894 1HZ LYS 119 1HZ LYS 119 5.947 -5.740 7.073 895 2HZ LYS 119 2HZ LYS 119 5.285 -4.257 6.655 896 3HZ LYS 119 3HZ LYS 119 5.517 -4.664 8.219 897 H ALA 120 H ALA 120 4.378 -11.102 3.347 898 HA ALA 120 HA ALA 120 5.955 -12.326 5.359 899 1HB ALA 120 1HB ALA 120 5.540 -14.406 4.156 900 2HB ALA 120 2HB ALA 120 4.055 -13.428 4.186 901 3HB ALA 120 3HB ALA 120 5.050 -13.511 2.708 902 H GLU 121 H GLU 121 6.743 -11.588 1.910 903 HA GLU 121 HA GLU 121 9.328 -12.854 1.966 904 1HB GLU 121 1HB GLU 121 8.469 -10.488 0.312 905 2HB GLU 121 2HB GLU 121 9.831 -11.525 -0.036 906 1HG GLU 121 1HG GLU 121 7.181 -12.903 0.014 907 2HG GLU 121 2HG GLU 121 7.403 -11.626 -1.169 908 H ILE 122 H ILE 122 8.198 -9.586 3.015 909 HA ILE 122 HA ILE 122 10.838 -8.504 3.274 910 HB ILE 122 HB ILE 122 8.468 -7.925 5.064 911 1HG1 ILE 122 1HG1 ILE 122 9.294 -6.563 2.489 912 2HG1 ILE 122 2HG1 ILE 122 7.885 -7.572 2.712 913 1HG2 ILE 122 1HG2 ILE 122 10.723 -7.146 5.904 914 2HG2 ILE 122 2HG2 ILE 122 10.867 -6.186 4.423 915 3HG2 ILE 122 3HG2 ILE 122 9.575 -5.855 5.606 916 1HD1 ILE 122 1HD1 ILE 122 7.023 -5.973 4.457 917 2HD1 ILE 122 2HD1 ILE 122 8.318 -4.856 3.963 918 3HD1 ILE 122 3HD1 ILE 122 7.080 -5.357 2.800 919 H HIS 123 H HIS 123 8.886 -10.677 5.308 920 HA HIS 123 HA HIS 123 10.959 -11.055 7.304 921 1HB HIS 123 1HB HIS 123 8.230 -11.504 7.100 922 2HB HIS 123 2HB HIS 123 8.868 -13.130 7.043 923 HD1 HIS 123 HD1 HIS 123 8.543 -14.026 9.468 924 HD2 HIS 123 HD2 HIS 123 10.085 -10.107 9.257 925 HE1 HIS 123 HE1 HIS 123 9.170 -13.367 11.843 926 H LYS 124 H LYS 124 11.084 -11.820 4.218 927 HA LYS 124 HA LYS 124 12.909 -14.113 4.741 928 1HB LYS 124 1HB LYS 124 12.494 -15.065 2.857 929 2HB LYS 124 2HB LYS 124 11.066 -14.045 2.754 930 1HG LYS 124 1HG LYS 124 12.710 -12.359 1.678 931 2HG LYS 124 2HG LYS 124 13.774 -13.699 1.427 932 1HD LYS 124 1HD LYS 124 10.918 -13.826 0.418 933 2HD LYS 124 2HD LYS 124 12.127 -12.938 -0.493 934 1HE LYS 124 1HE LYS 124 12.459 -15.861 0.296 935 2HE LYS 124 2HE LYS 124 11.734 -15.331 -1.229 936 1HZ LYS 124 1HZ LYS 124 13.817 -14.180 -1.743 937 2HZ LYS 124 2HZ LYS 124 14.493 -14.731 -0.357 938 3HZ LYS 124 3HZ LYS 124 14.081 -15.791 -1.528 939 H LEU 125 H LEU 125 12.879 -10.678 4.140 940 HA LEU 125 HA LEU 125 15.460 -10.574 2.875 941 1HB LEU 125 1HB LEU 125 13.855 -8.498 4.432 942 2HB LEU 125 2HB LEU 125 15.407 -8.136 3.787 943 HG LEU 125 HG LEU 125 13.189 -9.123 1.963 944 1HD1 LEU 125 1HD1 LEU 125 13.996 -6.259 2.637 945 2HD1 LEU 125 2HD1 LEU 125 12.852 -6.761 1.368 946 3HD1 LEU 125 3HD1 LEU 125 12.477 -7.035 3.079 947 1HD2 LEU 125 1HD2 LEU 125 15.915 -7.799 1.643 948 2HD2 LEU 125 2HD2 LEU 125 15.384 -9.347 0.984 949 3HD2 LEU 125 3HD2 LEU 125 14.732 -7.842 0.314 950 H ASN 126 H ASN 126 17.342 -9.495 3.866 951 HA ASN 126 HA ASN 126 17.903 -10.455 6.587 952 1HB ASN 126 1HB ASN 126 19.600 -10.626 4.753 953 2HB ASN 126 2HB ASN 126 19.688 -8.855 4.722 954 1HD2 ASN 126 1HD2 ASN 126 21.687 -8.377 5.689 955 2HD2 ASN 126 2HD2 ASN 126 22.157 -8.978 7.253 956 H TRP 127 H TRP 127 16.201 -7.805 5.449 957 HA TRP 127 HA TRP 127 16.855 -6.229 7.865 958 1HB TRP 127 1HB TRP 127 17.135 -4.196 6.539 959 2HB TRP 127 2HB TRP 127 18.356 -5.371 6.141 960 HD1 TRP 127 HD1 TRP 127 17.830 -6.801 3.742 961 HE1 TRP 127 HE1 TRP 127 16.905 -5.951 1.545 962 HE3 TRP 127 HE3 TRP 127 15.679 -2.459 5.411 963 HZ2 TRP 127 HZ2 TRP 127 14.922 -3.932 0.722 964 HZ3 TRP 127 HZ3 TRP 127 14.292 -1.097 3.862 965 HH2 TRP 127 HH2 TRP 127 13.833 -1.882 1.565 966 H ALA 128 H ALA 128 15.387 -4.262 7.915 967 HA ALA 128 HA ALA 128 12.612 -4.995 7.085 968 1HB ALA 128 1HB ALA 128 13.518 -3.600 9.630 969 2HB ALA 128 2HB ALA 128 12.975 -5.287 9.494 970 3HB ALA 128 3HB ALA 128 11.849 -3.957 9.160 971 HA PRO 129 HA PRO 129 12.743 -0.685 5.295 972 1HB PRO 129 1HB PRO 129 9.996 -1.394 4.509 973 2HB PRO 129 2HB PRO 129 11.356 -0.863 3.488 974 1HG PRO 129 1HG PRO 129 10.356 -3.450 3.483 975 2HG PRO 129 2HG PRO 129 12.069 -3.064 3.150 976 1HD PRO 129 1HD PRO 129 10.842 -4.039 5.709 977 2HD PRO 129 2HD PRO 129 12.389 -4.509 4.928 978 H SER 130 H SER 130 11.447 1.168 5.926 979 HA SER 130 HA SER 130 9.813 1.018 8.323 980 1HB SER 130 1HB SER 130 9.787 3.121 6.137 981 2HB SER 130 2HB SER 130 9.270 3.305 7.798 982 HG SER 130 HG SER 130 11.928 2.959 6.827 983 H MET 131 H MET 131 7.447 1.354 8.273 984 HA MET 131 HA MET 131 6.162 -0.355 6.368 985 1HB MET 131 1HB MET 131 5.087 1.723 8.284 986 2HB MET 131 2HB MET 131 4.070 0.645 7.337 987 1HG MET 131 1HG MET 131 4.192 -0.736 9.090 988 2HG MET 131 2HG MET 131 5.753 -1.186 8.433 989 1HE MET 131 1HE MET 131 3.931 1.478 10.051 990 2HE MET 131 2HE MET 131 4.099 1.053 11.752 991 3HE MET 131 3HE MET 131 5.099 2.359 11.031 992 H ASP 132 H ASP 132 6.085 3.261 6.718 993 HA ASP 132 HA ASP 132 4.310 3.685 4.626 994 1HB ASP 132 1HB ASP 132 6.480 5.437 5.775 995 2HB ASP 132 2HB ASP 132 5.471 5.971 4.423 996 H VAL 133 H VAL 133 7.709 2.849 4.398 997 HA VAL 133 HA VAL 133 7.897 3.254 1.519 998 HB VAL 133 HB VAL 133 9.590 1.594 3.439 999 1HG1 VAL 133 1HG1 VAL 133 10.130 2.436 0.566 1000 2HG1 VAL 133 2HG1 VAL 133 11.297 1.669 1.686 1001 3HG1 VAL 133 3HG1 VAL 133 9.870 0.787 1.156 1002 1HG2 VAL 133 1HG2 VAL 133 10.049 4.380 2.298 1003 2HG2 VAL 133 2HG2 VAL 133 9.709 3.990 4.000 1004 3HG2 VAL 133 3HG2 VAL 133 11.214 3.452 3.253 1005 H ALA 134 H ALA 134 7.722 0.233 3.568 1006 HA ALA 134 HA ALA 134 7.219 -1.453 1.354 1007 1HB ALA 134 1HB ALA 134 8.073 -2.249 3.497 1008 2HB ALA 134 2HB ALA 134 6.504 -1.861 4.268 1009 3HB ALA 134 3HB ALA 134 6.612 -3.126 3.008 1010 H VAL 135 H VAL 135 4.906 0.653 2.808 1011 HA VAL 135 HA VAL 135 2.695 -0.815 1.437 1012 HB VAL 135 HB VAL 135 2.401 1.587 3.267 1013 1HG1 VAL 135 1HG1 VAL 135 0.457 -0.444 2.082 1014 2HG1 VAL 135 2HG1 VAL 135 0.008 0.789 3.276 1015 3HG1 VAL 135 3HG1 VAL 135 0.576 1.279 1.677 1016 1HG2 VAL 135 1HG2 VAL 135 2.015 -1.361 3.998 1017 2HG2 VAL 135 2HG2 VAL 135 3.213 -0.270 4.709 1018 3HG2 VAL 135 3HG2 VAL 135 1.510 0.003 4.992 1019 H GLY 136 H GLY 136 4.481 2.353 1.488 1020 1HA GLY 136 1HA GLY 136 4.715 3.921 -0.060 1021 2HA GLY 136 2HA GLY 136 3.027 3.702 -0.446 1022 H GLU 137 H GLU 137 5.821 1.441 -0.813 1023 HA GLU 137 HA GLU 137 6.214 2.043 -3.578 1024 1HB GLU 137 1HB GLU 137 7.320 -0.227 -1.868 1025 2HB GLU 137 2HB GLU 137 7.839 0.202 -3.495 1026 1HG GLU 137 1HG GLU 137 8.204 2.632 -2.298 1027 2HG GLU 137 2HG GLU 137 8.320 1.632 -0.885 1028 H ILE 138 H ILE 138 4.611 -0.758 -1.903 1029 HA ILE 138 HA ILE 138 4.403 -2.230 -4.336 1030 HB ILE 138 HB ILE 138 4.174 -3.433 -2.362 1031 1HG1 ILE 138 1HG1 ILE 138 1.349 -3.435 -3.471 1032 2HG1 ILE 138 2HG1 ILE 138 2.738 -4.115 -4.317 1033 1HG2 ILE 138 1HG2 ILE 138 3.331 -1.715 -0.801 1034 2HG2 ILE 138 2HG2 ILE 138 1.733 -1.777 -1.571 1035 3HG2 ILE 138 3HG2 ILE 138 2.357 -3.167 -0.669 1036 1HD1 ILE 138 1HD1 ILE 138 1.794 -5.103 -1.603 1037 2HD1 ILE 138 2HD1 ILE 138 1.355 -5.825 -3.151 1038 3HD1 ILE 138 3HD1 ILE 138 3.041 -5.832 -2.648 1039 H LEU 139 H LEU 139 2.367 0.247 -2.972 1040 HA LEU 139 HA LEU 139 0.071 -0.093 -4.679 1041 1HB LEU 139 1HB LEU 139 1.325 2.222 -3.197 1042 2HB LEU 139 2HB LEU 139 -0.158 2.410 -3.988 1043 HG LEU 139 HG LEU 139 0.404 0.401 -1.724 1044 1HD1 LEU 139 1HD1 LEU 139 -1.118 3.028 -1.662 1045 2HD1 LEU 139 2HD1 LEU 139 -1.097 1.825 -0.339 1046 3HD1 LEU 139 3HD1 LEU 139 0.396 2.623 -0.825 1047 1HD2 LEU 139 1HD2 LEU 139 -2.263 1.049 -2.964 1048 2HD2 LEU 139 2HD2 LEU 139 -1.386 -0.492 -3.073 1049 3HD2 LEU 139 3HD2 LEU 139 -2.011 0.062 -1.520 1050 H ALA 140 H ALA 140 3.025 1.798 -4.918 1051 HA ALA 140 HA ALA 140 2.535 2.953 -7.485 1052 1HB ALA 140 1HB ALA 140 4.317 3.845 -6.194 1053 2HB ALA 140 2HB ALA 140 5.136 2.284 -6.074 1054 3HB ALA 140 3HB ALA 140 5.069 3.092 -7.616 1055 H GLU 141 H GLU 141 2.855 -0.482 -6.934 1056 HA GLU 141 HA GLU 141 3.346 -0.803 -9.838 1057 1HB GLU 141 1HB GLU 141 4.514 -2.068 -7.399 1058 2HB GLU 141 2HB GLU 141 4.195 -3.152 -8.778 1059 1HG GLU 141 1HG GLU 141 5.573 -1.934 -10.242 1060 2HG GLU 141 2HG GLU 141 5.438 -0.476 -9.231 1061 H VAL 142 H VAL 142 1.398 -2.020 -7.112 1062 HA VAL 142 HA VAL 142 0.308 -4.196 -8.611 1063 HB VAL 142 HB VAL 142 -0.203 -2.858 -5.956 1064 1HG1 VAL 142 1HG1 VAL 142 -1.934 -5.110 -7.014 1065 2HG1 VAL 142 2HG1 VAL 142 -1.851 -4.516 -5.333 1066 3HG1 VAL 142 3HG1 VAL 142 -2.472 -3.450 -6.604 1067 1HG2 VAL 142 1HG2 VAL 142 1.660 -4.443 -6.288 1068 2HG2 VAL 142 2HG2 VAL 142 0.455 -5.116 -5.168 1069 3HG2 VAL 142 3HG2 VAL 142 0.531 -5.687 -6.847 No H/Q in entry = 1069
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